USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 802 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 TYR OH : rot -10:sc= 1.21 USER MOD Set 1.2: A 87 SER OG : rot 80:sc= 1.35 USER MOD Set 2.1: A 29 ASN : amide:sc= -0.131 X(o=-5.9,f=-6.4) USER MOD Set 2.2: A 31 ASN : amide:sc= -5.8! C(o=-5.9!,f=-12!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -152:sc= -0.256 (180deg=-1.78!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -3.59 K(o=-3.6,f=-1.3) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 85:sc= 1.22 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 16 ASN : amide:sc= -5.49! C(o=-5.5!,f=-11!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -144:sc= -0.175 (180deg=-1.52!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.32 X(o=-0.32,f=0) USER MOD Single : A 39 THR OG1 : rot 64:sc= -0.992! USER MOD Single : A 42 ASN : amide:sc= -0.361 K(o=-0.36,f=-3.5!) USER MOD Single : A 47 LYS NZ :NH3+ -130:sc= -7.05! (180deg=-13!) USER MOD Single : A 49 HIS : no HD1:sc= -0.209 X(o=-0.21,f=0) USER MOD Single : A 52 GLN : amide:sc= -2.71! C(o=-2.7!,f=-5.2!) USER MOD Single : A 53 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.11) USER MOD Single : A 54 ASN : amide:sc= -2.39! C(o=-2.4!,f=-9.9!) USER MOD Single : A 58 LYS NZ :NH3+ 168:sc= -4.58! (180deg=-4.81!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -8:sc= 1.03 USER MOD Single : A 69 THR OG1 : rot 21:sc= -2.68! USER MOD Single : A 71 SER OG : rot 82:sc= 0.0383 USER MOD Single : A 75 GLN : amide:sc=-0.00949 K(o=-0.0095,f=-1.9) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -2.13 K(o=-2.1,f=-6.5!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.831 7.438 1.360 1.00 0.00 N ATOM 2 CA MET A 1 -8.051 6.119 0.699 1.00 0.00 C ATOM 3 C MET A 1 -8.750 6.306 -0.643 1.00 0.00 C ATOM 4 O MET A 1 -9.064 7.409 -1.045 1.00 0.00 O ATOM 5 CB MET A 1 -8.969 5.345 1.639 1.00 0.00 C ATOM 6 CG MET A 1 -8.350 5.281 3.036 1.00 0.00 C ATOM 7 SD MET A 1 -9.562 4.607 4.201 1.00 0.00 S ATOM 8 CE MET A 1 -8.859 2.944 4.328 1.00 0.00 C ATOM 0 H1 MET A 1 -6.995 7.382 1.976 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.679 8.168 0.635 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.665 7.684 1.930 1.00 0.00 H new ATOM 0 HA MET A 1 -7.109 5.604 0.514 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.945 5.827 1.686 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.129 4.337 1.256 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.457 4.657 3.022 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.038 6.276 3.354 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.462 2.345 5.011 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.852 2.476 3.344 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.839 3.008 4.706 1.00 0.00 H new ATOM 20 N LEU A 2 -9.019 5.231 -1.330 1.00 0.00 N ATOM 21 CA LEU A 2 -9.722 5.346 -2.631 1.00 0.00 C ATOM 22 C LEU A 2 -11.063 4.641 -2.575 1.00 0.00 C ATOM 23 O LEU A 2 -11.258 3.674 -1.865 1.00 0.00 O ATOM 24 CB LEU A 2 -8.801 4.730 -3.670 1.00 0.00 C ATOM 25 CG LEU A 2 -9.332 5.095 -5.050 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.167 5.437 -5.980 1.00 0.00 C ATOM 27 CD2 LEU A 2 -10.099 3.907 -5.601 1.00 0.00 C ATOM 0 H LEU A 2 -8.782 4.281 -1.045 1.00 0.00 H new ATOM 0 HA LEU A 2 -9.936 6.385 -2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.784 5.100 -3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.763 3.647 -3.551 1.00 0.00 H new ATOM 0 HG LEU A 2 -9.989 5.962 -4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.553 5.697 -6.966 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.612 6.282 -5.573 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.505 4.576 -6.065 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.487 4.151 -6.590 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.434 3.047 -5.674 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -10.928 3.669 -4.935 1.00 0.00 H new ATOM 39 N THR A 3 -12.002 5.175 -3.288 1.00 0.00 N ATOM 40 CA THR A 3 -13.374 4.623 -3.272 1.00 0.00 C ATOM 41 C THR A 3 -13.823 4.225 -4.686 1.00 0.00 C ATOM 42 O THR A 3 -13.182 4.539 -5.669 1.00 0.00 O ATOM 43 CB THR A 3 -14.183 5.782 -2.663 1.00 0.00 C ATOM 44 OG1 THR A 3 -14.985 5.286 -1.602 1.00 0.00 O ATOM 45 CG2 THR A 3 -15.083 6.479 -3.694 1.00 0.00 C ATOM 0 H THR A 3 -11.875 5.986 -3.893 1.00 0.00 H new ATOM 0 HA THR A 3 -13.491 3.701 -2.702 1.00 0.00 H new ATOM 0 HB THR A 3 -13.470 6.522 -2.299 1.00 0.00 H new ATOM 0 HG1 THR A 3 -15.501 6.022 -1.210 1.00 0.00 H new ATOM 0 HG21 THR A 3 -15.631 7.288 -3.211 1.00 0.00 H new ATOM 0 HG22 THR A 3 -14.469 6.886 -4.497 1.00 0.00 H new ATOM 0 HG23 THR A 3 -15.789 5.759 -4.107 1.00 0.00 H new ATOM 53 N GLY A 4 -14.919 3.524 -4.779 1.00 0.00 N ATOM 54 CA GLY A 4 -15.437 3.073 -6.109 1.00 0.00 C ATOM 55 C GLY A 4 -15.368 4.210 -7.136 1.00 0.00 C ATOM 56 O GLY A 4 -14.794 4.063 -8.197 1.00 0.00 O ATOM 0 H GLY A 4 -15.488 3.239 -3.982 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.854 2.223 -6.462 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.467 2.732 -6.006 1.00 0.00 H new ATOM 60 N LYS A 5 -15.950 5.337 -6.835 1.00 0.00 N ATOM 61 CA LYS A 5 -15.915 6.471 -7.804 1.00 0.00 C ATOM 62 C LYS A 5 -14.469 6.813 -8.169 1.00 0.00 C ATOM 63 O LYS A 5 -14.123 6.926 -9.329 1.00 0.00 O ATOM 64 CB LYS A 5 -16.575 7.637 -7.075 1.00 0.00 C ATOM 65 CG LYS A 5 -16.783 8.800 -8.046 1.00 0.00 C ATOM 66 CD LYS A 5 -18.234 9.279 -7.969 1.00 0.00 C ATOM 67 CE LYS A 5 -18.817 9.383 -9.379 1.00 0.00 C ATOM 68 NZ LYS A 5 -18.752 10.833 -9.712 1.00 0.00 N ATOM 0 H LYS A 5 -16.447 5.523 -5.964 1.00 0.00 H new ATOM 0 HA LYS A 5 -16.428 6.232 -8.736 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -17.532 7.323 -6.658 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.952 7.955 -6.239 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.106 9.618 -7.800 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.547 8.485 -9.062 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -18.825 8.585 -7.371 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.281 10.248 -7.473 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.243 8.788 -10.089 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -19.843 9.015 -9.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -19.135 10.987 -10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -19.313 11.373 -9.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -17.763 11.153 -9.680 1.00 0.00 H new ATOM 82 N GLN A 6 -13.615 6.962 -7.193 1.00 0.00 N ATOM 83 CA GLN A 6 -12.198 7.276 -7.494 1.00 0.00 C ATOM 84 C GLN A 6 -11.586 6.095 -8.234 1.00 0.00 C ATOM 85 O GLN A 6 -10.732 6.241 -9.085 1.00 0.00 O ATOM 86 CB GLN A 6 -11.554 7.431 -6.123 1.00 0.00 C ATOM 87 CG GLN A 6 -12.200 8.606 -5.385 1.00 0.00 C ATOM 88 CD GLN A 6 -11.589 8.736 -3.989 1.00 0.00 C ATOM 89 OE1 GLN A 6 -12.285 9.014 -3.033 1.00 0.00 O ATOM 90 NE2 GLN A 6 -10.308 8.546 -3.828 1.00 0.00 N ATOM 0 H GLN A 6 -13.842 6.879 -6.202 1.00 0.00 H new ATOM 0 HA GLN A 6 -12.067 8.164 -8.113 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.676 6.514 -5.546 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -10.482 7.600 -6.230 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -12.048 9.528 -5.946 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.276 8.453 -5.309 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -9.722 8.312 -4.630 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -9.892 8.631 -2.900 1.00 0.00 H new ATOM 99 N LYS A 7 -12.034 4.919 -7.902 1.00 0.00 N ATOM 100 CA LYS A 7 -11.511 3.695 -8.557 1.00 0.00 C ATOM 101 C LYS A 7 -11.971 3.636 -10.012 1.00 0.00 C ATOM 102 O LYS A 7 -11.206 3.355 -10.903 1.00 0.00 O ATOM 103 CB LYS A 7 -12.125 2.546 -7.762 1.00 0.00 C ATOM 104 CG LYS A 7 -11.665 1.216 -8.351 1.00 0.00 C ATOM 105 CD LYS A 7 -11.873 0.103 -7.322 1.00 0.00 C ATOM 106 CE LYS A 7 -12.108 -1.224 -8.047 1.00 0.00 C ATOM 107 NZ LYS A 7 -13.288 -1.832 -7.369 1.00 0.00 N ATOM 0 H LYS A 7 -12.750 4.754 -7.195 1.00 0.00 H new ATOM 0 HA LYS A 7 -10.422 3.660 -8.567 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.828 2.614 -6.715 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -13.213 2.611 -7.790 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.225 0.995 -9.259 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -10.613 1.275 -8.631 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.001 0.026 -6.673 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -12.725 0.337 -6.684 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -12.301 -1.065 -9.108 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.235 -1.872 -7.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.510 -2.746 -7.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.073 -1.978 -6.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.106 -1.196 -7.459 1.00 0.00 H new ATOM 121 N ARG A 8 -13.221 3.891 -10.260 1.00 0.00 N ATOM 122 CA ARG A 8 -13.728 3.830 -11.660 1.00 0.00 C ATOM 123 C ARG A 8 -12.826 4.636 -12.603 1.00 0.00 C ATOM 124 O ARG A 8 -12.369 4.139 -13.614 1.00 0.00 O ATOM 125 CB ARG A 8 -15.127 4.448 -11.594 1.00 0.00 C ATOM 126 CG ARG A 8 -15.879 4.143 -12.890 1.00 0.00 C ATOM 127 CD ARG A 8 -17.377 4.026 -12.599 1.00 0.00 C ATOM 128 NE ARG A 8 -17.967 3.482 -13.853 1.00 0.00 N ATOM 129 CZ ARG A 8 -19.251 3.578 -14.064 1.00 0.00 C ATOM 130 NH1 ARG A 8 -19.820 4.751 -14.110 1.00 0.00 N ATOM 131 NH2 ARG A 8 -19.966 2.499 -14.233 1.00 0.00 N ATOM 0 H ARG A 8 -13.916 4.139 -9.556 1.00 0.00 H new ATOM 0 HA ARG A 8 -13.743 2.811 -12.046 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -15.674 4.047 -10.740 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -15.054 5.526 -11.448 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -15.701 4.932 -13.620 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -15.510 3.215 -13.327 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -17.565 3.364 -11.754 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -17.808 4.995 -12.347 1.00 0.00 H new ATOM 0 HE ARG A 8 -17.368 3.035 -14.547 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -19.261 5.594 -13.981 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -20.824 4.825 -14.275 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -19.521 1.582 -14.200 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -20.970 2.573 -14.398 1.00 0.00 H new ATOM 145 N TYR A 9 -12.568 5.872 -12.283 1.00 0.00 N ATOM 146 CA TYR A 9 -11.699 6.703 -13.172 1.00 0.00 C ATOM 147 C TYR A 9 -10.268 6.183 -13.172 1.00 0.00 C ATOM 148 O TYR A 9 -9.671 5.951 -14.207 1.00 0.00 O ATOM 149 CB TYR A 9 -11.718 8.101 -12.558 1.00 0.00 C ATOM 150 CG TYR A 9 -12.843 8.905 -13.167 1.00 0.00 C ATOM 151 CD1 TYR A 9 -14.107 8.326 -13.347 1.00 0.00 C ATOM 152 CD2 TYR A 9 -12.621 10.231 -13.560 1.00 0.00 C ATOM 153 CE1 TYR A 9 -15.145 9.071 -13.917 1.00 0.00 C ATOM 154 CE2 TYR A 9 -13.660 10.976 -14.131 1.00 0.00 C ATOM 155 CZ TYR A 9 -14.921 10.397 -14.310 1.00 0.00 C ATOM 156 OH TYR A 9 -15.945 11.131 -14.873 1.00 0.00 O ATOM 0 H TYR A 9 -12.917 6.345 -11.449 1.00 0.00 H new ATOM 0 HA TYR A 9 -12.057 6.684 -14.201 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -11.849 8.033 -11.478 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -10.765 8.599 -12.733 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -14.280 7.303 -13.045 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -11.648 10.679 -13.423 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -16.119 8.624 -14.054 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -13.488 11.998 -14.433 1.00 0.00 H new ATOM 0 HH TYR A 9 -15.623 12.031 -15.087 1.00 0.00 H new ATOM 166 N LEU A 10 -9.699 6.041 -12.017 1.00 0.00 N ATOM 167 CA LEU A 10 -8.293 5.586 -11.939 1.00 0.00 C ATOM 168 C LEU A 10 -8.136 4.133 -12.386 1.00 0.00 C ATOM 169 O LEU A 10 -7.314 3.829 -13.228 1.00 0.00 O ATOM 170 CB LEU A 10 -7.906 5.770 -10.474 1.00 0.00 C ATOM 171 CG LEU A 10 -6.688 6.673 -10.434 1.00 0.00 C ATOM 172 CD1 LEU A 10 -6.402 7.134 -9.007 1.00 0.00 C ATOM 173 CD2 LEU A 10 -5.503 5.877 -10.956 1.00 0.00 C ATOM 0 H LEU A 10 -10.149 6.221 -11.119 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.647 6.155 -12.608 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.729 6.212 -9.913 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.685 4.808 -10.012 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.865 7.558 -11.046 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.524 7.780 -9.002 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.261 7.685 -8.624 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.216 6.266 -8.374 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.610 6.501 -10.939 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.346 5.002 -10.325 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.702 5.556 -11.978 1.00 0.00 H new ATOM 185 N ARG A 11 -8.903 3.230 -11.843 1.00 0.00 N ATOM 186 CA ARG A 11 -8.767 1.804 -12.263 1.00 0.00 C ATOM 187 C ARG A 11 -8.822 1.706 -13.798 1.00 0.00 C ATOM 188 O ARG A 11 -8.220 0.837 -14.396 1.00 0.00 O ATOM 189 CB ARG A 11 -9.934 1.070 -11.571 1.00 0.00 C ATOM 190 CG ARG A 11 -11.203 1.099 -12.438 1.00 0.00 C ATOM 191 CD ARG A 11 -12.356 0.433 -11.688 1.00 0.00 C ATOM 192 NE ARG A 11 -13.088 -0.343 -12.728 1.00 0.00 N ATOM 193 CZ ARG A 11 -14.390 -0.284 -12.793 1.00 0.00 C ATOM 194 NH1 ARG A 11 -14.973 0.784 -13.261 1.00 0.00 N ATOM 195 NH2 ARG A 11 -15.108 -1.297 -12.391 1.00 0.00 N ATOM 0 H ARG A 11 -9.612 3.413 -11.133 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.816 1.356 -11.975 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -9.650 0.037 -11.372 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.139 1.535 -10.607 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.463 2.128 -12.684 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.023 0.582 -13.380 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.988 -0.218 -10.894 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.003 1.174 -11.219 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.571 -0.921 -13.390 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.411 1.575 -13.577 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.991 0.829 -13.311 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.651 -2.133 -12.027 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -16.126 -1.253 -12.441 1.00 0.00 H new ATOM 209 N SER A 12 -9.525 2.609 -14.436 1.00 0.00 N ATOM 210 CA SER A 12 -9.594 2.582 -15.926 1.00 0.00 C ATOM 211 C SER A 12 -8.202 2.867 -16.500 1.00 0.00 C ATOM 212 O SER A 12 -7.730 2.177 -17.381 1.00 0.00 O ATOM 213 CB SER A 12 -10.575 3.690 -16.307 1.00 0.00 C ATOM 214 OG SER A 12 -11.901 3.259 -16.030 1.00 0.00 O ATOM 0 H SER A 12 -10.051 3.360 -13.990 1.00 0.00 H new ATOM 0 HA SER A 12 -9.919 1.617 -16.315 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.351 4.598 -15.747 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.473 3.934 -17.364 1.00 0.00 H new ATOM 0 HG SER A 12 -12.113 3.436 -15.090 1.00 0.00 H new ATOM 220 N LEU A 13 -7.532 3.866 -15.987 1.00 0.00 N ATOM 221 CA LEU A 13 -6.159 4.179 -16.482 1.00 0.00 C ATOM 222 C LEU A 13 -5.286 2.950 -16.356 1.00 0.00 C ATOM 223 O LEU A 13 -4.465 2.674 -17.204 1.00 0.00 O ATOM 224 CB LEU A 13 -5.646 5.282 -15.543 1.00 0.00 C ATOM 225 CG LEU A 13 -6.266 6.667 -15.847 1.00 0.00 C ATOM 226 CD1 LEU A 13 -5.222 7.541 -16.542 1.00 0.00 C ATOM 227 CD2 LEU A 13 -7.512 6.572 -16.742 1.00 0.00 C ATOM 0 H LEU A 13 -7.876 4.478 -15.247 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.150 4.489 -17.527 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.870 5.008 -14.512 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.561 5.349 -15.627 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.575 7.102 -14.897 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.652 8.519 -16.759 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.357 7.662 -15.890 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.912 7.066 -17.473 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.907 7.572 -16.924 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.243 6.110 -17.692 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.271 5.967 -16.246 1.00 0.00 H new ATOM 239 N ALA A 14 -5.460 2.223 -15.295 1.00 0.00 N ATOM 240 CA ALA A 14 -4.640 1.005 -15.060 1.00 0.00 C ATOM 241 C ALA A 14 -4.491 0.164 -16.338 1.00 0.00 C ATOM 242 O ALA A 14 -3.537 -0.572 -16.498 1.00 0.00 O ATOM 243 CB ALA A 14 -5.425 0.221 -14.011 1.00 0.00 C ATOM 0 H ALA A 14 -6.146 2.423 -14.567 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.628 1.257 -14.744 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.894 -0.700 -13.772 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.529 0.824 -13.109 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.413 -0.021 -14.402 1.00 0.00 H new ATOM 249 N HIS A 15 -5.437 0.250 -17.233 1.00 0.00 N ATOM 250 CA HIS A 15 -5.367 -0.561 -18.486 1.00 0.00 C ATOM 251 C HIS A 15 -4.211 -0.116 -19.386 1.00 0.00 C ATOM 252 O HIS A 15 -3.740 -0.872 -20.213 1.00 0.00 O ATOM 253 CB HIS A 15 -6.699 -0.308 -19.189 1.00 0.00 C ATOM 254 CG HIS A 15 -7.664 -1.407 -18.846 1.00 0.00 C ATOM 255 ND1 HIS A 15 -7.564 -2.674 -19.398 1.00 0.00 N ATOM 256 CD2 HIS A 15 -8.752 -1.446 -18.010 1.00 0.00 C ATOM 257 CE1 HIS A 15 -8.567 -3.416 -18.893 1.00 0.00 C ATOM 258 NE2 HIS A 15 -9.322 -2.715 -18.042 1.00 0.00 N ATOM 0 H HIS A 15 -6.259 0.849 -17.152 1.00 0.00 H new ATOM 0 HA HIS A 15 -5.194 -1.614 -18.265 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -7.106 0.656 -18.884 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -6.550 -0.264 -20.268 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -9.111 -0.618 -17.417 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -8.740 -4.452 -19.145 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -10.140 -3.040 -17.527 1.00 0.00 H new ATOM 266 N ASN A 16 -3.764 1.101 -19.259 1.00 0.00 N ATOM 267 CA ASN A 16 -2.656 1.570 -20.142 1.00 0.00 C ATOM 268 C ASN A 16 -1.413 1.941 -19.325 1.00 0.00 C ATOM 269 O ASN A 16 -0.551 2.659 -19.789 1.00 0.00 O ATOM 270 CB ASN A 16 -3.226 2.794 -20.858 1.00 0.00 C ATOM 271 CG ASN A 16 -3.651 3.841 -19.828 1.00 0.00 C ATOM 272 OD1 ASN A 16 -2.892 4.184 -18.946 1.00 0.00 O ATOM 273 ND2 ASN A 16 -4.842 4.369 -19.905 1.00 0.00 N ATOM 0 H ASN A 16 -4.112 1.787 -18.590 1.00 0.00 H new ATOM 0 HA ASN A 16 -2.333 0.796 -20.839 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -2.479 3.214 -21.531 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -4.080 2.504 -21.470 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.134 5.070 -19.224 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -5.481 4.081 -20.646 1.00 0.00 H new ATOM 280 N ILE A 17 -1.307 1.456 -18.117 1.00 0.00 N ATOM 281 CA ILE A 17 -0.122 1.777 -17.287 1.00 0.00 C ATOM 282 C ILE A 17 0.865 0.612 -17.348 1.00 0.00 C ATOM 283 O ILE A 17 0.529 -0.477 -17.771 1.00 0.00 O ATOM 284 CB ILE A 17 -0.629 1.941 -15.859 1.00 0.00 C ATOM 285 CG1 ILE A 17 -2.045 2.533 -15.818 1.00 0.00 C ATOM 286 CG2 ILE A 17 0.296 2.865 -15.108 1.00 0.00 C ATOM 287 CD1 ILE A 17 -2.046 3.934 -16.414 1.00 0.00 C ATOM 0 H ILE A 17 -1.996 0.849 -17.672 1.00 0.00 H new ATOM 0 HA ILE A 17 0.381 2.679 -17.636 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.655 0.952 -15.401 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.731 1.893 -16.373 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.403 2.567 -14.789 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.062 2.986 -14.086 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.300 2.441 -15.093 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.319 3.837 -15.602 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.056 4.343 -16.379 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.375 4.574 -15.841 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.708 3.889 -17.449 1.00 0.00 H new ATOM 299 N ASP A 18 2.079 0.836 -16.949 1.00 0.00 N ATOM 300 CA ASP A 18 3.095 -0.259 -17.005 1.00 0.00 C ATOM 301 C ASP A 18 3.569 -0.726 -15.612 1.00 0.00 C ATOM 302 O ASP A 18 3.703 0.072 -14.705 1.00 0.00 O ATOM 303 CB ASP A 18 4.264 0.328 -17.793 1.00 0.00 C ATOM 304 CG ASP A 18 4.650 -0.631 -18.919 1.00 0.00 C ATOM 305 OD1 ASP A 18 3.807 -0.897 -19.761 1.00 0.00 O ATOM 306 OD2 ASP A 18 5.783 -1.085 -18.921 1.00 0.00 O ATOM 0 H ASP A 18 2.418 1.727 -16.586 1.00 0.00 H new ATOM 0 HA ASP A 18 2.666 -1.148 -17.468 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.988 1.298 -18.206 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.116 0.493 -17.133 1.00 0.00 H new ATOM 311 N PRO A 19 3.867 -2.007 -15.513 1.00 0.00 N ATOM 312 CA PRO A 19 4.405 -2.589 -14.253 1.00 0.00 C ATOM 313 C PRO A 19 5.931 -2.362 -14.214 1.00 0.00 C ATOM 314 O PRO A 19 6.605 -2.478 -15.218 1.00 0.00 O ATOM 315 CB PRO A 19 4.106 -4.078 -14.396 1.00 0.00 C ATOM 316 CG PRO A 19 4.029 -4.336 -15.870 1.00 0.00 C ATOM 317 CD PRO A 19 3.725 -3.030 -16.561 1.00 0.00 C ATOM 0 HA PRO A 19 3.978 -2.156 -13.348 1.00 0.00 H new ATOM 0 HB2 PRO A 19 4.888 -4.681 -13.933 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.169 -4.338 -13.903 1.00 0.00 H new ATOM 0 HG2 PRO A 19 4.970 -4.748 -16.234 1.00 0.00 H new ATOM 0 HG3 PRO A 19 3.254 -5.071 -16.087 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.414 -2.849 -17.386 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.719 -3.029 -16.980 1.00 0.00 H new ATOM 325 N ILE A 20 6.479 -2.072 -13.070 1.00 0.00 N ATOM 326 CA ILE A 20 7.972 -1.873 -12.966 1.00 0.00 C ATOM 327 C ILE A 20 8.535 -2.797 -11.874 1.00 0.00 C ATOM 328 O ILE A 20 9.707 -3.116 -11.850 1.00 0.00 O ATOM 329 CB ILE A 20 8.292 -0.402 -12.569 1.00 0.00 C ATOM 330 CG1 ILE A 20 7.124 0.597 -12.759 1.00 0.00 C ATOM 331 CG2 ILE A 20 9.461 0.082 -13.427 1.00 0.00 C ATOM 332 CD1 ILE A 20 5.933 0.240 -11.864 1.00 0.00 C ATOM 0 H ILE A 20 5.967 -1.961 -12.195 1.00 0.00 H new ATOM 0 HA ILE A 20 8.422 -2.101 -13.932 1.00 0.00 H new ATOM 0 HB ILE A 20 8.514 -0.421 -11.502 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.465 1.606 -12.528 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.810 0.598 -13.803 1.00 0.00 H new ATOM 0 HG21 ILE A 20 9.702 1.112 -13.165 1.00 0.00 H new ATOM 0 HG22 ILE A 20 10.330 -0.551 -13.248 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.185 0.031 -14.480 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.131 0.961 -12.022 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.577 -0.760 -12.113 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.243 0.265 -10.819 1.00 0.00 H new ATOM 344 N PHE A 21 7.696 -3.205 -10.965 1.00 0.00 N ATOM 345 CA PHE A 21 8.125 -4.093 -9.839 1.00 0.00 C ATOM 346 C PHE A 21 7.491 -5.475 -10.001 1.00 0.00 C ATOM 347 O PHE A 21 6.337 -5.602 -10.359 1.00 0.00 O ATOM 348 CB PHE A 21 7.605 -3.441 -8.527 1.00 0.00 C ATOM 349 CG PHE A 21 6.514 -2.429 -8.800 1.00 0.00 C ATOM 350 CD1 PHE A 21 5.266 -2.847 -9.265 1.00 0.00 C ATOM 351 CD2 PHE A 21 6.766 -1.075 -8.603 1.00 0.00 C ATOM 352 CE1 PHE A 21 4.276 -1.902 -9.538 1.00 0.00 C ATOM 353 CE2 PHE A 21 5.772 -0.130 -8.871 1.00 0.00 C ATOM 354 CZ PHE A 21 4.530 -0.545 -9.342 1.00 0.00 C ATOM 0 H PHE A 21 6.707 -2.957 -10.951 1.00 0.00 H new ATOM 0 HA PHE A 21 9.209 -4.207 -9.824 1.00 0.00 H new ATOM 0 HB2 PHE A 21 7.225 -4.216 -7.861 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.432 -2.954 -8.010 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.067 -3.898 -9.413 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.732 -0.754 -8.242 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.311 -2.222 -9.902 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.967 0.920 -8.713 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.763 0.184 -9.556 1.00 0.00 H new ATOM 364 N GLN A 22 8.238 -6.510 -9.738 1.00 0.00 N ATOM 365 CA GLN A 22 7.681 -7.884 -9.875 1.00 0.00 C ATOM 366 C GLN A 22 7.752 -8.619 -8.535 1.00 0.00 C ATOM 367 O GLN A 22 8.815 -8.844 -7.991 1.00 0.00 O ATOM 368 CB GLN A 22 8.568 -8.572 -10.914 1.00 0.00 C ATOM 369 CG GLN A 22 7.773 -9.673 -11.619 1.00 0.00 C ATOM 370 CD GLN A 22 8.078 -9.645 -13.119 1.00 0.00 C ATOM 371 OE1 GLN A 22 7.723 -8.708 -13.805 1.00 0.00 O ATOM 372 NE2 GLN A 22 8.725 -10.641 -13.660 1.00 0.00 N ATOM 0 H GLN A 22 9.211 -6.464 -9.434 1.00 0.00 H new ATOM 0 HA GLN A 22 6.634 -7.876 -10.177 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.924 -7.844 -11.642 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.448 -8.997 -10.431 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.032 -10.646 -11.203 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.706 -9.529 -11.452 1.00 0.00 H new ATOM 0 HE21 GLN A 22 9.023 -11.428 -13.084 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.932 -10.632 -14.659 1.00 0.00 H new ATOM 381 N ILE A 23 6.624 -8.999 -8.008 1.00 0.00 N ATOM 382 CA ILE A 23 6.606 -9.729 -6.710 1.00 0.00 C ATOM 383 C ILE A 23 6.976 -11.192 -6.963 1.00 0.00 C ATOM 384 O ILE A 23 6.636 -11.749 -7.984 1.00 0.00 O ATOM 385 CB ILE A 23 5.156 -9.551 -6.199 1.00 0.00 C ATOM 386 CG1 ILE A 23 5.110 -8.350 -5.253 1.00 0.00 C ATOM 387 CG2 ILE A 23 4.624 -10.794 -5.450 1.00 0.00 C ATOM 388 CD1 ILE A 23 6.035 -8.603 -4.064 1.00 0.00 C ATOM 0 H ILE A 23 5.707 -8.835 -8.423 1.00 0.00 H new ATOM 0 HA ILE A 23 7.319 -9.362 -5.972 1.00 0.00 H new ATOM 0 HB ILE A 23 4.521 -9.400 -7.072 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.416 -7.446 -5.780 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.090 -8.186 -4.906 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.603 -10.608 -5.116 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.636 -11.655 -6.119 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.257 -10.997 -4.586 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.003 -7.747 -3.389 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.708 -9.497 -3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.055 -8.746 -4.421 1.00 0.00 H new ATOM 400 N GLY A 24 7.669 -11.807 -6.039 1.00 0.00 N ATOM 401 CA GLY A 24 8.059 -13.236 -6.216 1.00 0.00 C ATOM 402 C GLY A 24 6.894 -14.130 -5.792 1.00 0.00 C ATOM 403 O GLY A 24 5.849 -13.654 -5.399 1.00 0.00 O ATOM 0 H GLY A 24 7.982 -11.379 -5.168 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.321 -13.428 -7.257 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.942 -13.461 -5.618 1.00 0.00 H new ATOM 407 N LYS A 25 7.055 -15.423 -5.879 1.00 0.00 N ATOM 408 CA LYS A 25 5.936 -16.329 -5.487 1.00 0.00 C ATOM 409 C LYS A 25 5.908 -16.514 -3.970 1.00 0.00 C ATOM 410 O LYS A 25 4.884 -16.820 -3.393 1.00 0.00 O ATOM 411 CB LYS A 25 6.214 -17.664 -6.180 1.00 0.00 C ATOM 412 CG LYS A 25 6.488 -17.438 -7.669 1.00 0.00 C ATOM 413 CD LYS A 25 7.001 -18.735 -8.289 1.00 0.00 C ATOM 414 CE LYS A 25 7.995 -18.411 -9.408 1.00 0.00 C ATOM 415 NZ LYS A 25 8.183 -19.695 -10.139 1.00 0.00 N ATOM 0 H LYS A 25 7.904 -15.888 -6.201 1.00 0.00 H new ATOM 0 HA LYS A 25 4.969 -15.920 -5.780 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.070 -18.152 -5.715 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.361 -18.331 -6.057 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.577 -17.115 -8.173 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.223 -16.644 -7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.482 -19.348 -7.527 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.168 -19.315 -8.686 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.608 -17.634 -10.067 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.939 -18.045 -9.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.852 -19.554 -10.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.559 -20.413 -9.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.269 -20.016 -10.518 1.00 0.00 H new ATOM 429 N GLY A 26 7.023 -16.332 -3.317 1.00 0.00 N ATOM 430 CA GLY A 26 7.050 -16.498 -1.837 1.00 0.00 C ATOM 431 C GLY A 26 5.984 -15.599 -1.208 1.00 0.00 C ATOM 432 O GLY A 26 5.322 -15.974 -0.260 1.00 0.00 O ATOM 0 H GLY A 26 7.914 -16.076 -3.743 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.866 -17.539 -1.573 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.035 -16.240 -1.448 1.00 0.00 H new ATOM 436 N GLY A 27 5.817 -14.414 -1.726 1.00 0.00 N ATOM 437 CA GLY A 27 4.803 -13.485 -1.166 1.00 0.00 C ATOM 438 C GLY A 27 5.279 -12.065 -1.432 1.00 0.00 C ATOM 439 O GLY A 27 5.998 -11.820 -2.383 1.00 0.00 O ATOM 0 H GLY A 27 6.345 -14.049 -2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.831 -13.656 -1.629 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.680 -13.653 -0.096 1.00 0.00 H new ATOM 443 N ILE A 28 4.914 -11.126 -0.609 1.00 0.00 N ATOM 444 CA ILE A 28 5.391 -9.742 -0.851 1.00 0.00 C ATOM 445 C ILE A 28 6.607 -9.459 0.036 1.00 0.00 C ATOM 446 O ILE A 28 6.510 -9.444 1.247 1.00 0.00 O ATOM 447 CB ILE A 28 4.231 -8.837 -0.456 1.00 0.00 C ATOM 448 CG1 ILE A 28 3.034 -9.149 -1.353 1.00 0.00 C ATOM 449 CG2 ILE A 28 4.648 -7.375 -0.629 1.00 0.00 C ATOM 450 CD1 ILE A 28 1.878 -8.212 -1.022 1.00 0.00 C ATOM 0 H ILE A 28 4.316 -11.254 0.207 1.00 0.00 H new ATOM 0 HA ILE A 28 5.690 -9.583 -1.887 1.00 0.00 H new ATOM 0 HB ILE A 28 3.959 -9.008 0.586 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.315 -9.038 -2.400 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.725 -10.185 -1.214 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.820 -6.725 -0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.508 -7.164 0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.914 -7.193 -1.670 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.029 -8.441 -1.666 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.589 -8.345 0.021 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.188 -7.180 -1.184 1.00 0.00 H new ATOM 462 N ASN A 29 7.746 -9.233 -0.551 1.00 0.00 N ATOM 463 CA ASN A 29 8.961 -8.948 0.272 1.00 0.00 C ATOM 464 C ASN A 29 9.288 -7.449 0.237 1.00 0.00 C ATOM 465 O ASN A 29 8.931 -6.751 -0.691 1.00 0.00 O ATOM 466 CB ASN A 29 10.081 -9.754 -0.384 1.00 0.00 C ATOM 467 CG ASN A 29 10.505 -10.893 0.547 1.00 0.00 C ATOM 468 OD1 ASN A 29 11.435 -10.750 1.317 1.00 0.00 O ATOM 469 ND2 ASN A 29 9.857 -12.026 0.509 1.00 0.00 N ATOM 0 H ASN A 29 7.893 -9.232 -1.560 1.00 0.00 H new ATOM 0 HA ASN A 29 8.822 -9.218 1.319 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.742 -10.157 -1.338 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.933 -9.107 -0.596 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.131 -12.791 1.125 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.077 -12.146 -0.137 1.00 0.00 H new ATOM 476 N GLU A 30 9.965 -6.945 1.239 1.00 0.00 N ATOM 477 CA GLU A 30 10.306 -5.491 1.242 1.00 0.00 C ATOM 478 C GLU A 30 11.258 -5.177 0.092 1.00 0.00 C ATOM 479 O GLU A 30 11.122 -4.167 -0.560 1.00 0.00 O ATOM 480 CB GLU A 30 10.987 -5.216 2.582 1.00 0.00 C ATOM 481 CG GLU A 30 11.478 -3.761 2.612 1.00 0.00 C ATOM 482 CD GLU A 30 11.895 -3.390 4.036 1.00 0.00 C ATOM 483 OE1 GLU A 30 11.028 -3.016 4.807 1.00 0.00 O ATOM 484 OE2 GLU A 30 13.075 -3.487 4.330 1.00 0.00 O ATOM 0 H GLU A 30 10.293 -7.473 2.048 1.00 0.00 H new ATOM 0 HA GLU A 30 9.419 -4.871 1.114 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.290 -5.394 3.401 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.825 -5.898 2.724 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.320 -3.637 1.931 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.689 -3.093 2.268 1.00 0.00 H new ATOM 491 N ASN A 31 12.219 -6.031 -0.176 1.00 0.00 N ATOM 492 CA ASN A 31 13.161 -5.751 -1.306 1.00 0.00 C ATOM 493 C ASN A 31 12.345 -5.404 -2.555 1.00 0.00 C ATOM 494 O ASN A 31 12.692 -4.526 -3.326 1.00 0.00 O ATOM 495 CB ASN A 31 13.973 -7.040 -1.515 1.00 0.00 C ATOM 496 CG ASN A 31 13.049 -8.263 -1.533 1.00 0.00 C ATOM 497 OD1 ASN A 31 12.168 -8.364 -2.361 1.00 0.00 O ATOM 498 ND2 ASN A 31 13.224 -9.208 -0.649 1.00 0.00 N ATOM 0 H ASN A 31 12.390 -6.899 0.332 1.00 0.00 H new ATOM 0 HA ASN A 31 13.826 -4.913 -1.099 1.00 0.00 H new ATOM 0 HB2 ASN A 31 14.525 -6.981 -2.453 1.00 0.00 H new ATOM 0 HB3 ASN A 31 14.709 -7.146 -0.718 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.620 -10.030 -0.655 1.00 0.00 H new ATOM 0 HD22 ASN A 31 13.964 -9.124 0.048 1.00 0.00 H new ATOM 505 N MET A 32 11.232 -6.061 -2.725 1.00 0.00 N ATOM 506 CA MET A 32 10.358 -5.752 -3.880 1.00 0.00 C ATOM 507 C MET A 32 9.680 -4.410 -3.628 1.00 0.00 C ATOM 508 O MET A 32 9.548 -3.593 -4.518 1.00 0.00 O ATOM 509 CB MET A 32 9.332 -6.884 -3.923 1.00 0.00 C ATOM 510 CG MET A 32 9.588 -7.759 -5.151 1.00 0.00 C ATOM 511 SD MET A 32 11.253 -8.465 -5.062 1.00 0.00 S ATOM 512 CE MET A 32 10.934 -9.923 -6.085 1.00 0.00 C ATOM 0 H MET A 32 10.893 -6.800 -2.109 1.00 0.00 H new ATOM 0 HA MET A 32 10.899 -5.681 -4.824 1.00 0.00 H new ATOM 0 HB2 MET A 32 9.399 -7.484 -3.016 1.00 0.00 H new ATOM 0 HB3 MET A 32 8.323 -6.473 -3.960 1.00 0.00 H new ATOM 0 HG2 MET A 32 8.847 -8.557 -5.202 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.482 -7.167 -6.060 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.500 -10.770 -5.698 1.00 0.00 H new ATOM 0 HE2 MET A 32 9.870 -10.157 -6.063 1.00 0.00 H new ATOM 0 HE3 MET A 32 11.240 -9.721 -7.112 1.00 0.00 H new ATOM 522 N ILE A 33 9.271 -4.156 -2.408 1.00 0.00 N ATOM 523 CA ILE A 33 8.632 -2.848 -2.119 1.00 0.00 C ATOM 524 C ILE A 33 9.691 -1.754 -2.179 1.00 0.00 C ATOM 525 O ILE A 33 9.404 -0.630 -2.511 1.00 0.00 O ATOM 526 CB ILE A 33 8.037 -2.932 -0.720 1.00 0.00 C ATOM 527 CG1 ILE A 33 6.907 -3.965 -0.717 1.00 0.00 C ATOM 528 CG2 ILE A 33 7.477 -1.549 -0.343 1.00 0.00 C ATOM 529 CD1 ILE A 33 6.229 -3.984 0.651 1.00 0.00 C ATOM 0 H ILE A 33 9.353 -4.792 -1.615 1.00 0.00 H new ATOM 0 HA ILE A 33 7.853 -2.616 -2.845 1.00 0.00 H new ATOM 0 HB ILE A 33 8.799 -3.231 -0.000 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.179 -3.723 -1.491 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.304 -4.953 -0.950 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.046 -1.591 0.657 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.281 -0.814 -0.361 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.706 -1.261 -1.058 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.425 -4.720 0.649 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.960 -4.247 1.416 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.817 -2.998 0.867 1.00 0.00 H new ATOM 541 N LYS A 34 10.924 -2.073 -1.875 1.00 0.00 N ATOM 542 CA LYS A 34 11.989 -1.034 -1.949 1.00 0.00 C ATOM 543 C LYS A 34 11.931 -0.422 -3.349 1.00 0.00 C ATOM 544 O LYS A 34 11.925 0.784 -3.533 1.00 0.00 O ATOM 545 CB LYS A 34 13.305 -1.784 -1.730 1.00 0.00 C ATOM 546 CG LYS A 34 13.482 -2.077 -0.238 1.00 0.00 C ATOM 547 CD LYS A 34 14.631 -1.232 0.316 1.00 0.00 C ATOM 548 CE LYS A 34 14.148 0.203 0.547 1.00 0.00 C ATOM 549 NZ LYS A 34 13.961 0.313 2.020 1.00 0.00 N ATOM 0 H LYS A 34 11.235 -2.999 -1.582 1.00 0.00 H new ATOM 0 HA LYS A 34 11.880 -0.235 -1.215 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.304 -2.715 -2.297 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.141 -1.188 -2.096 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.560 -1.853 0.299 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.690 -3.136 -0.087 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.992 -1.660 1.251 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.469 -1.237 -0.382 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.878 0.928 0.186 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.216 0.397 0.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.630 1.270 2.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.256 -0.385 2.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.866 0.131 2.499 1.00 0.00 H new ATOM 563 N GLN A 35 11.828 -1.272 -4.337 1.00 0.00 N ATOM 564 CA GLN A 35 11.706 -0.781 -5.731 1.00 0.00 C ATOM 565 C GLN A 35 10.357 -0.075 -5.883 1.00 0.00 C ATOM 566 O GLN A 35 10.286 1.068 -6.285 1.00 0.00 O ATOM 567 CB GLN A 35 11.760 -2.038 -6.601 1.00 0.00 C ATOM 568 CG GLN A 35 11.761 -1.641 -8.077 1.00 0.00 C ATOM 569 CD GLN A 35 12.543 -2.681 -8.881 1.00 0.00 C ATOM 570 OE1 GLN A 35 13.188 -2.354 -9.857 1.00 0.00 O ATOM 571 NE2 GLN A 35 12.516 -3.931 -8.506 1.00 0.00 N ATOM 0 H GLN A 35 11.824 -2.287 -4.233 1.00 0.00 H new ATOM 0 HA GLN A 35 12.487 -0.074 -6.009 1.00 0.00 H new ATOM 0 HB2 GLN A 35 12.655 -2.615 -6.369 1.00 0.00 H new ATOM 0 HB3 GLN A 35 10.904 -2.678 -6.387 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.738 -1.572 -8.447 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.211 -0.656 -8.200 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.975 -4.206 -7.686 1.00 0.00 H new ATOM 0 HE22 GLN A 35 13.036 -4.633 -9.032 1.00 0.00 H new ATOM 580 N ILE A 36 9.282 -0.745 -5.537 1.00 0.00 N ATOM 581 CA ILE A 36 7.934 -0.104 -5.641 1.00 0.00 C ATOM 582 C ILE A 36 7.957 1.239 -4.923 1.00 0.00 C ATOM 583 O ILE A 36 7.314 2.187 -5.324 1.00 0.00 O ATOM 584 CB ILE A 36 6.975 -1.050 -4.922 1.00 0.00 C ATOM 585 CG1 ILE A 36 6.900 -2.367 -5.682 1.00 0.00 C ATOM 586 CG2 ILE A 36 5.579 -0.422 -4.859 1.00 0.00 C ATOM 587 CD1 ILE A 36 6.544 -3.488 -4.714 1.00 0.00 C ATOM 0 H ILE A 36 9.281 -1.704 -5.189 1.00 0.00 H new ATOM 0 HA ILE A 36 7.639 0.066 -6.677 1.00 0.00 H new ATOM 0 HB ILE A 36 7.337 -1.229 -3.910 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.152 -2.302 -6.472 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.855 -2.577 -6.164 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.898 -1.100 -4.345 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.629 0.522 -4.316 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.216 -0.240 -5.871 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.490 -4.433 -5.255 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.308 -3.557 -3.940 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.579 -3.278 -4.253 1.00 0.00 H new ATOM 599 N ASP A 37 8.699 1.313 -3.854 1.00 0.00 N ATOM 600 CA ASP A 37 8.783 2.574 -3.077 1.00 0.00 C ATOM 601 C ASP A 37 9.118 3.735 -4.017 1.00 0.00 C ATOM 602 O ASP A 37 8.397 4.708 -4.104 1.00 0.00 O ATOM 603 CB ASP A 37 9.917 2.354 -2.077 1.00 0.00 C ATOM 604 CG ASP A 37 9.386 2.554 -0.657 1.00 0.00 C ATOM 605 OD1 ASP A 37 8.457 3.329 -0.498 1.00 0.00 O ATOM 606 OD2 ASP A 37 9.917 1.931 0.248 1.00 0.00 O ATOM 0 H ASP A 37 9.256 0.543 -3.484 1.00 0.00 H new ATOM 0 HA ASP A 37 7.846 2.818 -2.576 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.324 1.349 -2.187 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.731 3.051 -2.274 1.00 0.00 H new ATOM 611 N ASP A 38 10.208 3.627 -4.734 1.00 0.00 N ATOM 612 CA ASP A 38 10.592 4.714 -5.685 1.00 0.00 C ATOM 613 C ASP A 38 9.700 4.652 -6.933 1.00 0.00 C ATOM 614 O ASP A 38 9.280 5.661 -7.463 1.00 0.00 O ATOM 615 CB ASP A 38 12.049 4.425 -6.049 1.00 0.00 C ATOM 616 CG ASP A 38 12.836 5.737 -6.084 1.00 0.00 C ATOM 617 OD1 ASP A 38 12.624 6.506 -7.006 1.00 0.00 O ATOM 618 OD2 ASP A 38 13.638 5.947 -5.190 1.00 0.00 O ATOM 0 H ASP A 38 10.848 2.834 -4.702 1.00 0.00 H new ATOM 0 HA ASP A 38 10.473 5.708 -5.254 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.489 3.744 -5.320 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.102 3.931 -7.019 1.00 0.00 H new ATOM 623 N THR A 39 9.402 3.467 -7.391 1.00 0.00 N ATOM 624 CA THR A 39 8.525 3.307 -8.593 1.00 0.00 C ATOM 625 C THR A 39 7.165 3.978 -8.361 1.00 0.00 C ATOM 626 O THR A 39 6.717 4.777 -9.160 1.00 0.00 O ATOM 627 CB THR A 39 8.360 1.807 -8.729 1.00 0.00 C ATOM 628 OG1 THR A 39 9.621 1.173 -8.572 1.00 0.00 O ATOM 629 CG2 THR A 39 7.820 1.518 -10.109 1.00 0.00 C ATOM 0 H THR A 39 9.730 2.592 -6.982 1.00 0.00 H new ATOM 0 HA THR A 39 8.948 3.767 -9.486 1.00 0.00 H new ATOM 0 HB THR A 39 7.677 1.431 -7.967 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.956 1.331 -7.665 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.692 0.443 -10.232 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.858 2.014 -10.235 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.520 1.888 -10.858 1.00 0.00 H new ATOM 637 N LEU A 40 6.504 3.665 -7.277 1.00 0.00 N ATOM 638 CA LEU A 40 5.175 4.296 -7.010 1.00 0.00 C ATOM 639 C LEU A 40 5.365 5.748 -6.556 1.00 0.00 C ATOM 640 O LEU A 40 4.521 6.595 -6.774 1.00 0.00 O ATOM 641 CB LEU A 40 4.531 3.445 -5.901 1.00 0.00 C ATOM 642 CG LEU A 40 5.213 3.712 -4.552 1.00 0.00 C ATOM 643 CD1 LEU A 40 4.520 4.881 -3.849 1.00 0.00 C ATOM 644 CD2 LEU A 40 5.111 2.462 -3.674 1.00 0.00 C ATOM 0 H LEU A 40 6.823 3.004 -6.569 1.00 0.00 H new ATOM 0 HA LEU A 40 4.545 4.326 -7.899 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.468 3.675 -5.829 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.612 2.388 -6.153 1.00 0.00 H new ATOM 0 HG LEU A 40 6.261 3.958 -4.720 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.005 5.069 -2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.589 5.773 -4.472 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.471 4.635 -3.682 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.595 2.650 -2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.062 2.218 -3.509 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.604 1.627 -4.172 1.00 0.00 H new ATOM 656 N GLU A 41 6.468 6.035 -5.923 1.00 0.00 N ATOM 657 CA GLU A 41 6.722 7.425 -5.450 1.00 0.00 C ATOM 658 C GLU A 41 7.014 8.349 -6.639 1.00 0.00 C ATOM 659 O GLU A 41 7.020 9.558 -6.507 1.00 0.00 O ATOM 660 CB GLU A 41 7.945 7.305 -4.537 1.00 0.00 C ATOM 661 CG GLU A 41 8.401 8.697 -4.093 1.00 0.00 C ATOM 662 CD GLU A 41 9.620 8.565 -3.177 1.00 0.00 C ATOM 663 OE1 GLU A 41 9.643 7.638 -2.385 1.00 0.00 O ATOM 664 OE2 GLU A 41 10.510 9.393 -3.285 1.00 0.00 O ATOM 0 H GLU A 41 7.207 5.365 -5.712 1.00 0.00 H new ATOM 0 HA GLU A 41 5.865 7.853 -4.930 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.701 6.697 -3.666 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.754 6.798 -5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.650 9.305 -4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.592 9.207 -3.569 1.00 0.00 H new ATOM 671 N ASN A 42 7.251 7.798 -7.798 1.00 0.00 N ATOM 672 CA ASN A 42 7.537 8.654 -8.985 1.00 0.00 C ATOM 673 C ASN A 42 6.265 8.844 -9.819 1.00 0.00 C ATOM 674 O ASN A 42 6.049 9.884 -10.409 1.00 0.00 O ATOM 675 CB ASN A 42 8.590 7.885 -9.781 1.00 0.00 C ATOM 676 CG ASN A 42 9.630 8.862 -10.332 1.00 0.00 C ATOM 677 OD1 ASN A 42 9.619 10.031 -9.999 1.00 0.00 O ATOM 678 ND2 ASN A 42 10.535 8.431 -11.167 1.00 0.00 N ATOM 0 H ASN A 42 7.259 6.793 -7.975 1.00 0.00 H new ATOM 0 HA ASN A 42 7.884 9.649 -8.704 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.073 7.145 -9.144 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.117 7.342 -10.599 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.233 9.075 -11.540 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.545 7.450 -11.447 1.00 0.00 H new ATOM 685 N ARG A 43 5.423 7.849 -9.870 1.00 0.00 N ATOM 686 CA ARG A 43 4.166 7.975 -10.667 1.00 0.00 C ATOM 687 C ARG A 43 2.946 7.956 -9.740 1.00 0.00 C ATOM 688 O ARG A 43 3.072 7.975 -8.532 1.00 0.00 O ATOM 689 CB ARG A 43 4.159 6.758 -11.592 1.00 0.00 C ATOM 690 CG ARG A 43 5.209 6.942 -12.689 1.00 0.00 C ATOM 691 CD ARG A 43 4.858 8.164 -13.540 1.00 0.00 C ATOM 692 NE ARG A 43 5.777 8.091 -14.710 1.00 0.00 N ATOM 693 CZ ARG A 43 5.501 8.754 -15.799 1.00 0.00 C ATOM 694 NH1 ARG A 43 5.692 10.045 -15.844 1.00 0.00 N ATOM 695 NH2 ARG A 43 5.032 8.128 -16.845 1.00 0.00 N ATOM 0 H ARG A 43 5.549 6.955 -9.396 1.00 0.00 H new ATOM 0 HA ARG A 43 4.123 8.910 -11.226 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.369 5.853 -11.021 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.172 6.632 -12.037 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.196 7.068 -12.244 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.254 6.051 -13.316 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.815 8.140 -13.855 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.001 9.089 -12.982 1.00 0.00 H new ATOM 0 HE ARG A 43 6.622 7.522 -14.660 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.057 10.535 -15.027 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.476 10.563 -16.696 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.881 7.120 -16.811 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.816 8.647 -17.696 1.00 0.00 H new ATOM 709 N GLU A 44 1.766 7.920 -10.298 1.00 0.00 N ATOM 710 CA GLU A 44 0.538 7.902 -9.451 1.00 0.00 C ATOM 711 C GLU A 44 -0.169 6.548 -9.567 1.00 0.00 C ATOM 712 O GLU A 44 -0.750 6.056 -8.619 1.00 0.00 O ATOM 713 CB GLU A 44 -0.341 9.014 -10.014 1.00 0.00 C ATOM 714 CG GLU A 44 0.402 10.349 -9.922 1.00 0.00 C ATOM 715 CD GLU A 44 0.573 10.740 -8.453 1.00 0.00 C ATOM 716 OE1 GLU A 44 -0.421 10.763 -7.746 1.00 0.00 O ATOM 717 OE2 GLU A 44 1.696 11.011 -8.061 1.00 0.00 O ATOM 0 H GLU A 44 1.599 7.902 -11.304 1.00 0.00 H new ATOM 0 HA GLU A 44 0.762 8.051 -8.395 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.597 8.799 -11.051 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.277 9.068 -9.459 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.377 10.268 -10.403 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.153 11.123 -10.453 1.00 0.00 H new ATOM 724 N LEU A 45 -0.118 5.938 -10.721 1.00 0.00 N ATOM 725 CA LEU A 45 -0.776 4.610 -10.898 1.00 0.00 C ATOM 726 C LEU A 45 0.311 3.535 -10.980 1.00 0.00 C ATOM 727 O LEU A 45 1.263 3.659 -11.724 1.00 0.00 O ATOM 728 CB LEU A 45 -1.558 4.731 -12.213 1.00 0.00 C ATOM 729 CG LEU A 45 -2.697 3.693 -12.289 1.00 0.00 C ATOM 730 CD1 LEU A 45 -3.509 3.665 -10.995 1.00 0.00 C ATOM 731 CD2 LEU A 45 -3.639 4.075 -13.431 1.00 0.00 C ATOM 0 H LEU A 45 0.351 6.302 -11.550 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.440 4.334 -10.079 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.973 5.735 -12.300 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.880 4.592 -13.055 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.252 2.711 -12.451 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.304 2.924 -11.080 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.857 3.404 -10.162 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.947 4.648 -10.819 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.448 3.348 -13.494 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.055 5.065 -13.244 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.086 4.085 -14.371 1.00 0.00 H new ATOM 743 N ILE A 46 0.202 2.503 -10.189 1.00 0.00 N ATOM 744 CA ILE A 46 1.265 1.448 -10.191 1.00 0.00 C ATOM 745 C ILE A 46 0.694 0.047 -10.440 1.00 0.00 C ATOM 746 O ILE A 46 0.030 -0.522 -9.596 1.00 0.00 O ATOM 747 CB ILE A 46 1.923 1.500 -8.792 1.00 0.00 C ATOM 748 CG1 ILE A 46 0.933 1.983 -7.717 1.00 0.00 C ATOM 749 CG2 ILE A 46 3.127 2.444 -8.830 1.00 0.00 C ATOM 750 CD1 ILE A 46 1.417 1.532 -6.337 1.00 0.00 C ATOM 0 H ILE A 46 -0.571 2.342 -9.543 1.00 0.00 H new ATOM 0 HA ILE A 46 1.976 1.638 -10.995 1.00 0.00 H new ATOM 0 HB ILE A 46 2.240 0.490 -8.532 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.848 3.069 -7.747 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.060 1.580 -7.915 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.591 2.481 -7.845 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.851 2.081 -9.559 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.797 3.443 -9.114 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.716 1.874 -5.576 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.479 0.444 -6.311 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.402 1.956 -6.140 1.00 0.00 H new ATOM 762 N LYS A 47 0.981 -0.534 -11.581 1.00 0.00 N ATOM 763 CA LYS A 47 0.489 -1.919 -11.860 1.00 0.00 C ATOM 764 C LYS A 47 1.537 -2.897 -11.351 1.00 0.00 C ATOM 765 O LYS A 47 2.602 -2.996 -11.921 1.00 0.00 O ATOM 766 CB LYS A 47 0.412 -2.053 -13.379 1.00 0.00 C ATOM 767 CG LYS A 47 -0.374 -0.897 -13.959 1.00 0.00 C ATOM 768 CD LYS A 47 -1.817 -0.974 -13.471 1.00 0.00 C ATOM 769 CE LYS A 47 -2.232 0.392 -12.929 1.00 0.00 C ATOM 770 NZ LYS A 47 -1.937 0.377 -11.466 1.00 0.00 N ATOM 0 H LYS A 47 1.532 -0.110 -12.327 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.474 -2.113 -11.388 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.416 -2.070 -13.803 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.063 -2.997 -13.646 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.074 0.050 -13.658 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.344 -0.932 -15.048 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.475 -1.271 -14.288 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.912 -1.732 -12.694 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.682 1.190 -13.427 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.291 0.575 -13.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.774 0.700 -10.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.694 -0.590 -11.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.137 1.011 -11.267 1.00 0.00 H new ATOM 784 N VAL A 48 1.297 -3.595 -10.282 1.00 0.00 N ATOM 785 CA VAL A 48 2.348 -4.501 -9.787 1.00 0.00 C ATOM 786 C VAL A 48 2.046 -5.949 -10.185 1.00 0.00 C ATOM 787 O VAL A 48 0.925 -6.399 -10.092 1.00 0.00 O ATOM 788 CB VAL A 48 2.284 -4.380 -8.260 1.00 0.00 C ATOM 789 CG1 VAL A 48 3.503 -5.050 -7.669 1.00 0.00 C ATOM 790 CG2 VAL A 48 2.245 -2.915 -7.796 1.00 0.00 C ATOM 0 H VAL A 48 0.433 -3.576 -9.741 1.00 0.00 H new ATOM 0 HA VAL A 48 3.324 -4.243 -10.197 1.00 0.00 H new ATOM 0 HB VAL A 48 1.366 -4.861 -7.922 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.470 -4.971 -6.582 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.516 -6.101 -7.957 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.403 -4.561 -8.041 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.200 -2.879 -6.708 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.143 -2.401 -8.139 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.365 -2.425 -8.212 1.00 0.00 H new ATOM 800 N HIS A 49 3.040 -6.688 -10.599 1.00 0.00 N ATOM 801 CA HIS A 49 2.807 -8.114 -10.975 1.00 0.00 C ATOM 802 C HIS A 49 3.050 -9.012 -9.757 1.00 0.00 C ATOM 803 O HIS A 49 4.077 -8.930 -9.117 1.00 0.00 O ATOM 804 CB HIS A 49 3.831 -8.408 -12.072 1.00 0.00 C ATOM 805 CG HIS A 49 3.247 -9.383 -13.057 1.00 0.00 C ATOM 806 ND1 HIS A 49 2.971 -10.699 -12.720 1.00 0.00 N ATOM 807 CD2 HIS A 49 2.887 -9.251 -14.376 1.00 0.00 C ATOM 808 CE1 HIS A 49 2.468 -11.300 -13.813 1.00 0.00 C ATOM 809 NE2 HIS A 49 2.395 -10.463 -14.851 1.00 0.00 N ATOM 0 H HIS A 49 4.003 -6.367 -10.693 1.00 0.00 H new ATOM 0 HA HIS A 49 1.788 -8.297 -11.316 1.00 0.00 H new ATOM 0 HB2 HIS A 49 4.110 -7.485 -12.580 1.00 0.00 H new ATOM 0 HB3 HIS A 49 4.741 -8.818 -11.634 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.973 -8.344 -14.956 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.160 -12.335 -13.847 1.00 0.00 H new ATOM 0 HE2 HIS A 49 2.052 -10.668 -15.790 1.00 0.00 H new ATOM 817 N VAL A 50 2.111 -9.858 -9.421 1.00 0.00 N ATOM 818 CA VAL A 50 2.298 -10.743 -8.228 1.00 0.00 C ATOM 819 C VAL A 50 2.491 -12.192 -8.645 1.00 0.00 C ATOM 820 O VAL A 50 1.741 -12.743 -9.427 1.00 0.00 O ATOM 821 CB VAL A 50 1.017 -10.569 -7.404 1.00 0.00 C ATOM 822 CG1 VAL A 50 0.988 -11.578 -6.252 1.00 0.00 C ATOM 823 CG2 VAL A 50 0.975 -9.152 -6.832 1.00 0.00 C ATOM 0 H VAL A 50 1.227 -9.976 -9.916 1.00 0.00 H new ATOM 0 HA VAL A 50 3.188 -10.477 -7.658 1.00 0.00 H new ATOM 0 HB VAL A 50 0.154 -10.738 -8.048 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.073 -11.444 -5.674 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.018 -12.591 -6.654 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.852 -11.418 -5.606 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.066 -9.023 -6.245 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.844 -8.991 -6.194 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.985 -8.430 -7.648 1.00 0.00 H new ATOM 833 N LEU A 51 3.518 -12.803 -8.127 1.00 0.00 N ATOM 834 CA LEU A 51 3.811 -14.206 -8.479 1.00 0.00 C ATOM 835 C LEU A 51 3.090 -15.196 -7.559 1.00 0.00 C ATOM 836 O LEU A 51 3.520 -16.320 -7.390 1.00 0.00 O ATOM 837 CB LEU A 51 5.311 -14.317 -8.303 1.00 0.00 C ATOM 838 CG LEU A 51 5.996 -14.302 -9.670 1.00 0.00 C ATOM 839 CD1 LEU A 51 5.519 -15.499 -10.495 1.00 0.00 C ATOM 840 CD2 LEU A 51 5.643 -13.004 -10.402 1.00 0.00 C ATOM 0 H LEU A 51 4.171 -12.379 -7.468 1.00 0.00 H new ATOM 0 HA LEU A 51 3.472 -14.450 -9.486 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.677 -13.491 -7.694 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.557 -15.237 -7.773 1.00 0.00 H new ATOM 0 HG LEU A 51 7.076 -14.362 -9.536 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.008 -15.487 -11.469 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.770 -16.423 -9.974 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.439 -15.440 -10.630 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.131 -12.992 -11.377 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.563 -12.944 -10.536 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.984 -12.151 -9.815 1.00 0.00 H new ATOM 852 N GLN A 52 2.004 -14.800 -6.969 1.00 0.00 N ATOM 853 CA GLN A 52 1.265 -15.733 -6.068 1.00 0.00 C ATOM 854 C GLN A 52 0.503 -16.779 -6.892 1.00 0.00 C ATOM 855 O GLN A 52 0.114 -17.810 -6.383 1.00 0.00 O ATOM 856 CB GLN A 52 0.292 -14.852 -5.286 1.00 0.00 C ATOM 857 CG GLN A 52 -0.180 -15.603 -4.039 1.00 0.00 C ATOM 858 CD GLN A 52 1.005 -15.827 -3.097 1.00 0.00 C ATOM 859 OE1 GLN A 52 2.030 -15.187 -3.228 1.00 0.00 O ATOM 860 NE2 GLN A 52 0.910 -16.717 -2.148 1.00 0.00 N ATOM 0 H GLN A 52 1.592 -13.872 -7.068 1.00 0.00 H new ATOM 0 HA GLN A 52 1.937 -16.280 -5.406 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.777 -13.919 -5.001 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.561 -14.589 -5.911 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.959 -15.033 -3.532 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.619 -16.560 -4.322 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.050 -17.255 -2.037 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.695 -16.875 -1.517 1.00 0.00 H new ATOM 869 N ASN A 53 0.292 -16.517 -8.161 1.00 0.00 N ATOM 870 CA ASN A 53 -0.442 -17.482 -9.050 1.00 0.00 C ATOM 871 C ASN A 53 -1.908 -17.631 -8.622 1.00 0.00 C ATOM 872 O ASN A 53 -2.812 -17.377 -9.390 1.00 0.00 O ATOM 873 CB ASN A 53 0.290 -18.826 -8.932 1.00 0.00 C ATOM 874 CG ASN A 53 1.794 -18.618 -9.129 1.00 0.00 C ATOM 875 OD1 ASN A 53 2.593 -19.092 -8.347 1.00 0.00 O ATOM 876 ND2 ASN A 53 2.215 -17.923 -10.151 1.00 0.00 N ATOM 0 H ASN A 53 0.601 -15.664 -8.627 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.453 -17.123 -10.079 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.100 -19.269 -7.954 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.090 -19.524 -9.678 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.215 -17.778 -10.292 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.544 -17.525 -10.808 1.00 0.00 H new ATOM 883 N ASN A 54 -2.152 -18.050 -7.412 1.00 0.00 N ATOM 884 CA ASN A 54 -3.561 -18.224 -6.955 1.00 0.00 C ATOM 885 C ASN A 54 -4.323 -16.898 -7.063 1.00 0.00 C ATOM 886 O ASN A 54 -3.745 -15.831 -7.005 1.00 0.00 O ATOM 887 CB ASN A 54 -3.445 -18.671 -5.500 1.00 0.00 C ATOM 888 CG ASN A 54 -4.841 -18.936 -4.931 1.00 0.00 C ATOM 889 OD1 ASN A 54 -5.631 -18.027 -4.778 1.00 0.00 O ATOM 890 ND2 ASN A 54 -5.177 -20.155 -4.608 1.00 0.00 N ATOM 0 H ASN A 54 -1.439 -18.279 -6.720 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.110 -18.946 -7.559 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.837 -19.573 -5.434 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.941 -17.903 -4.912 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.104 -20.344 -4.227 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.513 -20.918 -4.737 1.00 0.00 H new ATOM 897 N PHE A 55 -5.617 -16.961 -7.239 1.00 0.00 N ATOM 898 CA PHE A 55 -6.418 -15.708 -7.375 1.00 0.00 C ATOM 899 C PHE A 55 -6.712 -15.087 -6.005 1.00 0.00 C ATOM 900 O PHE A 55 -6.203 -14.036 -5.670 1.00 0.00 O ATOM 901 CB PHE A 55 -7.719 -16.144 -8.051 1.00 0.00 C ATOM 902 CG PHE A 55 -7.443 -16.491 -9.493 1.00 0.00 C ATOM 903 CD1 PHE A 55 -7.238 -15.473 -10.431 1.00 0.00 C ATOM 904 CD2 PHE A 55 -7.392 -17.832 -9.892 1.00 0.00 C ATOM 905 CE1 PHE A 55 -6.981 -15.795 -11.769 1.00 0.00 C ATOM 906 CE2 PHE A 55 -7.134 -18.154 -11.231 1.00 0.00 C ATOM 907 CZ PHE A 55 -6.928 -17.136 -12.168 1.00 0.00 C ATOM 0 H PHE A 55 -6.154 -17.826 -7.294 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.884 -14.950 -7.948 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.140 -17.005 -7.532 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -8.458 -15.344 -7.993 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -7.278 -14.439 -10.123 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.551 -18.618 -9.168 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -6.824 -15.009 -12.493 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.094 -19.188 -11.540 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.728 -17.385 -13.200 1.00 0.00 H new ATOM 917 N ASP A 56 -7.538 -15.718 -5.212 1.00 0.00 N ATOM 918 CA ASP A 56 -7.864 -15.143 -3.874 1.00 0.00 C ATOM 919 C ASP A 56 -6.593 -14.835 -3.094 1.00 0.00 C ATOM 920 O ASP A 56 -6.568 -13.994 -2.216 1.00 0.00 O ATOM 921 CB ASP A 56 -8.696 -16.209 -3.164 1.00 0.00 C ATOM 922 CG ASP A 56 -9.914 -16.560 -4.019 1.00 0.00 C ATOM 923 OD1 ASP A 56 -9.719 -17.025 -5.130 1.00 0.00 O ATOM 924 OD2 ASP A 56 -11.022 -16.356 -3.549 1.00 0.00 O ATOM 0 H ASP A 56 -7.998 -16.601 -5.431 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.407 -14.202 -3.960 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.092 -17.100 -2.989 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.017 -15.845 -2.188 1.00 0.00 H new ATOM 929 N ASP A 57 -5.540 -15.496 -3.426 1.00 0.00 N ATOM 930 CA ASP A 57 -4.247 -15.247 -2.731 1.00 0.00 C ATOM 931 C ASP A 57 -3.606 -13.978 -3.292 1.00 0.00 C ATOM 932 O ASP A 57 -3.039 -13.184 -2.568 1.00 0.00 O ATOM 933 CB ASP A 57 -3.384 -16.469 -3.034 1.00 0.00 C ATOM 934 CG ASP A 57 -2.624 -16.884 -1.774 1.00 0.00 C ATOM 935 OD1 ASP A 57 -1.789 -16.114 -1.328 1.00 0.00 O ATOM 936 OD2 ASP A 57 -2.889 -17.965 -1.274 1.00 0.00 O ATOM 0 H ASP A 57 -5.508 -16.208 -4.156 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.368 -15.104 -1.657 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.009 -17.291 -3.381 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.682 -16.241 -3.836 1.00 0.00 H new ATOM 941 N LYS A 58 -3.711 -13.770 -4.578 1.00 0.00 N ATOM 942 CA LYS A 58 -3.128 -12.539 -5.178 1.00 0.00 C ATOM 943 C LYS A 58 -3.742 -11.317 -4.499 1.00 0.00 C ATOM 944 O LYS A 58 -3.064 -10.360 -4.181 1.00 0.00 O ATOM 945 CB LYS A 58 -3.516 -12.591 -6.657 1.00 0.00 C ATOM 946 CG LYS A 58 -2.453 -11.872 -7.489 1.00 0.00 C ATOM 947 CD LYS A 58 -3.132 -11.063 -8.596 1.00 0.00 C ATOM 948 CE LYS A 58 -3.515 -9.682 -8.059 1.00 0.00 C ATOM 949 NZ LYS A 58 -3.254 -8.746 -9.187 1.00 0.00 N ATOM 0 H LYS A 58 -4.174 -14.398 -5.235 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.047 -12.476 -5.055 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.609 -13.627 -6.983 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.488 -12.121 -6.806 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.862 -11.213 -6.853 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.765 -12.597 -7.924 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.461 -10.960 -9.449 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.020 -11.586 -8.950 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.561 -9.653 -7.755 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.921 -9.420 -7.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.677 -7.820 -8.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.228 -8.636 -9.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.674 -9.127 -10.059 1.00 0.00 H new ATOM 963 N LYS A 59 -5.025 -11.354 -4.257 1.00 0.00 N ATOM 964 CA LYS A 59 -5.689 -10.209 -3.576 1.00 0.00 C ATOM 965 C LYS A 59 -5.098 -10.050 -2.174 1.00 0.00 C ATOM 966 O LYS A 59 -4.865 -8.953 -1.706 1.00 0.00 O ATOM 967 CB LYS A 59 -7.168 -10.592 -3.502 1.00 0.00 C ATOM 968 CG LYS A 59 -7.935 -9.533 -2.707 1.00 0.00 C ATOM 969 CD LYS A 59 -8.078 -9.988 -1.253 1.00 0.00 C ATOM 970 CE LYS A 59 -9.042 -9.053 -0.519 1.00 0.00 C ATOM 971 NZ LYS A 59 -9.039 -9.528 0.892 1.00 0.00 N ATOM 0 H LYS A 59 -5.641 -12.129 -4.502 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.550 -9.263 -4.100 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.582 -10.678 -4.507 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.278 -11.567 -3.028 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.409 -8.579 -2.750 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.919 -9.375 -3.148 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.449 -11.012 -1.216 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.105 -9.983 -0.762 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.714 -8.016 -0.587 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.042 -9.100 -0.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.678 -8.935 1.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.362 -10.516 0.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.075 -9.465 1.277 1.00 0.00 H new ATOM 985 N GLU A 60 -4.838 -11.145 -1.508 1.00 0.00 N ATOM 986 CA GLU A 60 -4.245 -11.064 -0.144 1.00 0.00 C ATOM 987 C GLU A 60 -2.929 -10.291 -0.208 1.00 0.00 C ATOM 988 O GLU A 60 -2.627 -9.483 0.648 1.00 0.00 O ATOM 989 CB GLU A 60 -3.997 -12.514 0.271 1.00 0.00 C ATOM 990 CG GLU A 60 -4.404 -12.703 1.733 1.00 0.00 C ATOM 991 CD GLU A 60 -5.617 -13.632 1.809 1.00 0.00 C ATOM 992 OE1 GLU A 60 -5.509 -14.752 1.340 1.00 0.00 O ATOM 993 OE2 GLU A 60 -6.632 -13.204 2.333 1.00 0.00 O ATOM 0 H GLU A 60 -5.011 -12.090 -1.851 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.893 -10.550 0.566 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.568 -13.189 -0.367 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.945 -12.766 0.140 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.574 -13.124 2.301 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.642 -11.739 2.183 1.00 0.00 H new ATOM 1000 N LEU A 61 -2.146 -10.516 -1.231 1.00 0.00 N ATOM 1001 CA LEU A 61 -0.864 -9.770 -1.349 1.00 0.00 C ATOM 1002 C LEU A 61 -1.171 -8.273 -1.318 1.00 0.00 C ATOM 1003 O LEU A 61 -0.619 -7.537 -0.532 1.00 0.00 O ATOM 1004 CB LEU A 61 -0.263 -10.191 -2.695 1.00 0.00 C ATOM 1005 CG LEU A 61 0.755 -11.316 -2.468 1.00 0.00 C ATOM 1006 CD1 LEU A 61 0.086 -12.668 -2.723 1.00 0.00 C ATOM 1007 CD2 LEU A 61 1.940 -11.148 -3.427 1.00 0.00 C ATOM 0 H LEU A 61 -2.339 -11.178 -1.982 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.166 -9.982 -0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.051 -10.529 -3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.220 -9.339 -3.173 1.00 0.00 H new ATOM 0 HG LEU A 61 1.114 -11.271 -1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.809 -13.468 -2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.753 -12.794 -2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.275 -12.707 -3.751 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.659 -11.950 -3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.584 -11.188 -4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.421 -10.186 -3.247 1.00 0.00 H new ATOM 1019 N ALA A 62 -2.079 -7.817 -2.140 1.00 0.00 N ATOM 1020 CA ALA A 62 -2.427 -6.367 -2.115 1.00 0.00 C ATOM 1021 C ALA A 62 -2.761 -5.948 -0.682 1.00 0.00 C ATOM 1022 O ALA A 62 -2.573 -4.817 -0.298 1.00 0.00 O ATOM 1023 CB ALA A 62 -3.651 -6.222 -3.013 1.00 0.00 C ATOM 0 H ALA A 62 -2.590 -8.379 -2.821 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.606 -5.738 -2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.961 -5.177 -3.040 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.404 -6.553 -4.022 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.465 -6.832 -2.620 1.00 0.00 H new ATOM 1029 N GLU A 63 -3.228 -6.861 0.125 1.00 0.00 N ATOM 1030 CA GLU A 63 -3.532 -6.501 1.537 1.00 0.00 C ATOM 1031 C GLU A 63 -2.254 -5.992 2.182 1.00 0.00 C ATOM 1032 O GLU A 63 -2.226 -5.014 2.903 1.00 0.00 O ATOM 1033 CB GLU A 63 -3.998 -7.802 2.193 1.00 0.00 C ATOM 1034 CG GLU A 63 -4.831 -7.483 3.435 1.00 0.00 C ATOM 1035 CD GLU A 63 -3.995 -7.731 4.692 1.00 0.00 C ATOM 1036 OE1 GLU A 63 -3.615 -8.871 4.911 1.00 0.00 O ATOM 1037 OE2 GLU A 63 -3.748 -6.779 5.413 1.00 0.00 O ATOM 0 H GLU A 63 -3.411 -7.832 -0.130 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.291 -5.725 1.635 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.589 -8.385 1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.137 -8.411 2.467 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.163 -6.445 3.406 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.727 -8.104 3.454 1.00 0.00 H new ATOM 1044 N THR A 64 -1.199 -6.659 1.876 1.00 0.00 N ATOM 1045 CA THR A 64 0.141 -6.272 2.403 1.00 0.00 C ATOM 1046 C THR A 64 0.796 -5.279 1.440 1.00 0.00 C ATOM 1047 O THR A 64 1.416 -4.316 1.845 1.00 0.00 O ATOM 1048 CB THR A 64 0.936 -7.579 2.450 1.00 0.00 C ATOM 1049 OG1 THR A 64 0.211 -8.546 3.198 1.00 0.00 O ATOM 1050 CG2 THR A 64 2.294 -7.334 3.110 1.00 0.00 C ATOM 0 H THR A 64 -1.196 -7.478 1.269 1.00 0.00 H new ATOM 0 HA THR A 64 0.091 -5.794 3.381 1.00 0.00 H new ATOM 0 HB THR A 64 1.091 -7.944 1.435 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.718 -9.384 3.228 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.857 -8.267 3.142 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.850 -6.594 2.534 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.144 -6.966 4.125 1.00 0.00 H new ATOM 1058 N LEU A 65 0.653 -5.509 0.162 1.00 0.00 N ATOM 1059 CA LEU A 65 1.251 -4.584 -0.839 1.00 0.00 C ATOM 1060 C LEU A 65 0.564 -3.221 -0.750 1.00 0.00 C ATOM 1061 O LEU A 65 1.209 -2.203 -0.618 1.00 0.00 O ATOM 1062 CB LEU A 65 0.978 -5.238 -2.195 1.00 0.00 C ATOM 1063 CG LEU A 65 2.296 -5.704 -2.819 1.00 0.00 C ATOM 1064 CD1 LEU A 65 2.008 -6.503 -4.092 1.00 0.00 C ATOM 1065 CD2 LEU A 65 3.149 -4.488 -3.166 1.00 0.00 C ATOM 0 H LEU A 65 0.145 -6.301 -0.231 1.00 0.00 H new ATOM 0 HA LEU A 65 2.317 -4.421 -0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.304 -6.085 -2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.481 -4.529 -2.858 1.00 0.00 H new ATOM 0 HG LEU A 65 2.830 -6.335 -2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.948 -6.834 -4.534 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.397 -7.372 -3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.474 -5.874 -4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.088 -4.817 -3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.613 -3.858 -3.876 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.356 -3.919 -2.260 1.00 0.00 H new ATOM 1077 N SER A 66 -0.744 -3.196 -0.804 1.00 0.00 N ATOM 1078 CA SER A 66 -1.465 -1.894 -0.706 1.00 0.00 C ATOM 1079 C SER A 66 -1.122 -1.211 0.620 1.00 0.00 C ATOM 1080 O SER A 66 -0.792 -0.043 0.661 1.00 0.00 O ATOM 1081 CB SER A 66 -2.953 -2.244 -0.754 1.00 0.00 C ATOM 1082 OG SER A 66 -3.711 -1.050 -0.894 1.00 0.00 O ATOM 0 H SER A 66 -1.340 -4.017 -0.911 1.00 0.00 H new ATOM 0 HA SER A 66 -1.188 -1.210 -1.508 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.154 -2.916 -1.588 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.245 -2.769 0.156 1.00 0.00 H new ATOM 0 HG SER A 66 -3.121 -0.274 -0.790 1.00 0.00 H new ATOM 1088 N GLU A 67 -1.194 -1.933 1.708 1.00 0.00 N ATOM 1089 CA GLU A 67 -0.868 -1.322 3.028 1.00 0.00 C ATOM 1090 C GLU A 67 0.604 -0.902 3.068 1.00 0.00 C ATOM 1091 O GLU A 67 0.957 0.104 3.653 1.00 0.00 O ATOM 1092 CB GLU A 67 -1.137 -2.426 4.052 1.00 0.00 C ATOM 1093 CG GLU A 67 -2.644 -2.672 4.158 1.00 0.00 C ATOM 1094 CD GLU A 67 -3.327 -1.425 4.724 1.00 0.00 C ATOM 1095 OE1 GLU A 67 -3.396 -1.310 5.936 1.00 0.00 O ATOM 1096 OE2 GLU A 67 -3.770 -0.607 3.936 1.00 0.00 O ATOM 0 H GLU A 67 -1.464 -2.916 1.738 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.459 -0.428 3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.629 -3.343 3.755 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.736 -2.140 5.024 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.054 -2.910 3.177 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.839 -3.530 4.802 1.00 0.00 H new ATOM 1103 N ALA A 68 1.466 -1.664 2.454 1.00 0.00 N ATOM 1104 CA ALA A 68 2.912 -1.309 2.461 1.00 0.00 C ATOM 1105 C ALA A 68 3.206 -0.250 1.393 1.00 0.00 C ATOM 1106 O ALA A 68 4.153 0.503 1.498 1.00 0.00 O ATOM 1107 CB ALA A 68 3.641 -2.611 2.139 1.00 0.00 C ATOM 0 H ALA A 68 1.231 -2.518 1.948 1.00 0.00 H new ATOM 0 HA ALA A 68 3.228 -0.890 3.416 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.716 -2.432 2.125 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.407 -3.357 2.899 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.321 -2.975 1.163 1.00 0.00 H new ATOM 1113 N THR A 69 2.402 -0.187 0.366 1.00 0.00 N ATOM 1114 CA THR A 69 2.643 0.826 -0.703 1.00 0.00 C ATOM 1115 C THR A 69 2.071 2.188 -0.291 1.00 0.00 C ATOM 1116 O THR A 69 2.082 3.127 -1.062 1.00 0.00 O ATOM 1117 CB THR A 69 1.900 0.292 -1.935 1.00 0.00 C ATOM 1118 OG1 THR A 69 0.586 -0.090 -1.566 1.00 0.00 O ATOM 1119 CG2 THR A 69 2.647 -0.920 -2.497 1.00 0.00 C ATOM 0 H THR A 69 1.592 -0.790 0.221 1.00 0.00 H new ATOM 0 HA THR A 69 3.706 0.971 -0.893 1.00 0.00 H new ATOM 0 HB THR A 69 1.851 1.071 -2.695 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.334 0.365 -0.736 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.119 -1.299 -3.372 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.657 -0.625 -2.782 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.698 -1.700 -1.738 1.00 0.00 H new ATOM 1127 N ARG A 70 1.557 2.310 0.909 1.00 0.00 N ATOM 1128 CA ARG A 70 0.977 3.619 1.334 1.00 0.00 C ATOM 1129 C ARG A 70 -0.052 4.074 0.296 1.00 0.00 C ATOM 1130 O ARG A 70 -0.297 5.249 0.111 1.00 0.00 O ATOM 1131 CB ARG A 70 2.160 4.586 1.386 1.00 0.00 C ATOM 1132 CG ARG A 70 2.656 4.703 2.829 1.00 0.00 C ATOM 1133 CD ARG A 70 4.142 4.343 2.891 1.00 0.00 C ATOM 1134 NE ARG A 70 4.441 4.194 4.342 1.00 0.00 N ATOM 1135 CZ ARG A 70 4.322 3.029 4.916 1.00 0.00 C ATOM 1136 NH1 ARG A 70 3.160 2.640 5.365 1.00 0.00 N ATOM 1137 NH2 ARG A 70 5.364 2.254 5.039 1.00 0.00 N ATOM 0 H ARG A 70 1.515 1.566 1.606 1.00 0.00 H new ATOM 0 HA ARG A 70 0.469 3.564 2.297 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.964 4.230 0.741 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.861 5.565 1.012 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.501 5.718 3.196 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.083 4.039 3.476 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.348 3.420 2.349 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.756 5.122 2.439 1.00 0.00 H new ATOM 0 HE ARG A 70 4.739 5.003 4.887 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.346 3.247 5.267 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.066 1.729 5.814 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.271 2.559 4.686 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.272 1.343 5.488 1.00 0.00 H new ATOM 1151 N SER A 71 -0.643 3.132 -0.385 1.00 0.00 N ATOM 1152 CA SER A 71 -1.653 3.463 -1.426 1.00 0.00 C ATOM 1153 C SER A 71 -2.888 2.577 -1.244 1.00 0.00 C ATOM 1154 O SER A 71 -2.825 1.531 -0.630 1.00 0.00 O ATOM 1155 CB SER A 71 -0.961 3.139 -2.749 1.00 0.00 C ATOM 1156 OG SER A 71 0.335 3.724 -2.755 1.00 0.00 O ATOM 0 H SER A 71 -0.466 2.135 -0.262 1.00 0.00 H new ATOM 0 HA SER A 71 -1.986 4.500 -1.378 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.886 2.059 -2.879 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.549 3.521 -3.584 1.00 0.00 H new ATOM 0 HG SER A 71 0.959 3.141 -2.274 1.00 0.00 H new ATOM 1162 N GLU A 72 -4.004 2.977 -1.780 1.00 0.00 N ATOM 1163 CA GLU A 72 -5.231 2.142 -1.641 1.00 0.00 C ATOM 1164 C GLU A 72 -5.489 1.392 -2.946 1.00 0.00 C ATOM 1165 O GLU A 72 -5.338 1.943 -4.019 1.00 0.00 O ATOM 1166 CB GLU A 72 -6.363 3.128 -1.341 1.00 0.00 C ATOM 1167 CG GLU A 72 -6.750 3.014 0.135 1.00 0.00 C ATOM 1168 CD GLU A 72 -5.539 3.333 1.012 1.00 0.00 C ATOM 1169 OE1 GLU A 72 -4.600 2.554 0.997 1.00 0.00 O ATOM 1170 OE2 GLU A 72 -5.570 4.351 1.684 1.00 0.00 O ATOM 0 H GLU A 72 -4.122 3.842 -2.307 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.142 1.394 -0.853 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.045 4.146 -1.569 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.225 2.914 -1.973 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.566 3.701 0.361 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.111 2.008 0.349 1.00 0.00 H new ATOM 1177 N LEU A 73 -5.843 0.134 -2.879 1.00 0.00 N ATOM 1178 CA LEU A 73 -6.063 -0.623 -4.124 1.00 0.00 C ATOM 1179 C LEU A 73 -7.141 0.000 -4.991 1.00 0.00 C ATOM 1180 O LEU A 73 -8.247 0.261 -4.562 1.00 0.00 O ATOM 1181 CB LEU A 73 -6.554 -1.999 -3.678 1.00 0.00 C ATOM 1182 CG LEU A 73 -5.674 -3.109 -4.250 1.00 0.00 C ATOM 1183 CD1 LEU A 73 -6.437 -4.431 -4.147 1.00 0.00 C ATOM 1184 CD2 LEU A 73 -5.351 -2.887 -5.738 1.00 0.00 C ATOM 0 H LEU A 73 -5.986 -0.390 -2.016 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.145 -0.647 -4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.552 -2.054 -2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.584 -2.144 -4.003 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.742 -3.116 -3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.824 -5.237 -4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.666 -4.638 -3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.365 -4.361 -4.715 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.723 -3.702 -6.100 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.278 -2.861 -6.311 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.823 -1.941 -5.859 1.00 0.00 H new ATOM 1196 N VAL A 74 -6.826 0.170 -6.233 1.00 0.00 N ATOM 1197 CA VAL A 74 -7.808 0.695 -7.194 1.00 0.00 C ATOM 1198 C VAL A 74 -8.374 -0.530 -7.932 1.00 0.00 C ATOM 1199 O VAL A 74 -9.505 -0.540 -8.372 1.00 0.00 O ATOM 1200 CB VAL A 74 -6.985 1.670 -8.068 1.00 0.00 C ATOM 1201 CG1 VAL A 74 -7.215 1.469 -9.562 1.00 0.00 C ATOM 1202 CG2 VAL A 74 -7.393 3.093 -7.721 1.00 0.00 C ATOM 0 H VAL A 74 -5.909 -0.038 -6.628 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.665 1.234 -6.790 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.932 1.478 -7.862 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.610 2.182 -10.122 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.931 0.454 -9.841 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -8.269 1.627 -9.792 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.821 3.794 -8.329 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.457 3.225 -7.919 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.194 3.282 -6.666 1.00 0.00 H new ATOM 1212 N GLN A 75 -7.590 -1.591 -8.025 1.00 0.00 N ATOM 1213 CA GLN A 75 -8.076 -2.848 -8.679 1.00 0.00 C ATOM 1214 C GLN A 75 -6.968 -3.850 -8.866 1.00 0.00 C ATOM 1215 O GLN A 75 -5.818 -3.588 -8.649 1.00 0.00 O ATOM 1216 CB GLN A 75 -8.670 -2.443 -10.037 1.00 0.00 C ATOM 1217 CG GLN A 75 -10.186 -2.650 -10.023 1.00 0.00 C ATOM 1218 CD GLN A 75 -10.621 -3.334 -11.321 1.00 0.00 C ATOM 1219 OE1 GLN A 75 -11.283 -2.733 -12.144 1.00 0.00 O ATOM 1220 NE2 GLN A 75 -10.278 -4.574 -11.540 1.00 0.00 N ATOM 0 H GLN A 75 -6.634 -1.633 -7.673 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.821 -3.331 -8.047 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -8.438 -1.399 -10.249 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.220 -3.037 -10.833 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.472 -3.259 -9.165 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.693 -1.691 -9.917 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -9.722 -5.079 -10.850 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.566 -5.038 -12.402 1.00 0.00 H new ATOM 1229 N VAL A 76 -7.352 -5.024 -9.226 1.00 0.00 N ATOM 1230 CA VAL A 76 -6.389 -6.119 -9.427 1.00 0.00 C ATOM 1231 C VAL A 76 -6.596 -6.694 -10.841 1.00 0.00 C ATOM 1232 O VAL A 76 -7.591 -7.337 -11.108 1.00 0.00 O ATOM 1233 CB VAL A 76 -6.771 -7.086 -8.307 1.00 0.00 C ATOM 1234 CG1 VAL A 76 -6.517 -8.540 -8.723 1.00 0.00 C ATOM 1235 CG2 VAL A 76 -5.934 -6.778 -7.064 1.00 0.00 C ATOM 0 H VAL A 76 -8.325 -5.280 -9.395 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.333 -5.852 -9.378 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.833 -6.960 -8.096 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.798 -9.206 -7.907 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.113 -8.775 -9.605 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.460 -8.673 -8.953 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.205 -7.466 -6.263 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.876 -6.894 -7.300 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.124 -5.754 -6.742 1.00 0.00 H new ATOM 1245 N ILE A 77 -5.690 -6.459 -11.748 1.00 0.00 N ATOM 1246 CA ILE A 77 -5.876 -6.983 -13.126 1.00 0.00 C ATOM 1247 C ILE A 77 -5.136 -8.323 -13.290 1.00 0.00 C ATOM 1248 O ILE A 77 -3.931 -8.366 -13.440 1.00 0.00 O ATOM 1249 CB ILE A 77 -5.302 -5.864 -14.022 1.00 0.00 C ATOM 1250 CG1 ILE A 77 -6.416 -4.865 -14.368 1.00 0.00 C ATOM 1251 CG2 ILE A 77 -4.735 -6.436 -15.322 1.00 0.00 C ATOM 1252 CD1 ILE A 77 -7.081 -4.350 -13.087 1.00 0.00 C ATOM 0 H ILE A 77 -4.832 -5.929 -11.594 1.00 0.00 H new ATOM 0 HA ILE A 77 -6.913 -7.202 -13.381 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.500 -5.369 -13.475 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -6.003 -4.030 -14.933 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.159 -5.344 -15.005 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.338 -5.626 -15.933 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.937 -7.142 -15.091 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.526 -6.949 -15.869 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -7.869 -3.643 -13.345 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -7.511 -5.188 -12.538 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -6.337 -3.853 -12.465 1.00 0.00 H new ATOM 1264 N GLY A 78 -5.860 -9.414 -13.267 1.00 0.00 N ATOM 1265 CA GLY A 78 -5.218 -10.754 -13.427 1.00 0.00 C ATOM 1266 C GLY A 78 -4.017 -10.875 -12.486 1.00 0.00 C ATOM 1267 O GLY A 78 -4.149 -10.809 -11.280 1.00 0.00 O ATOM 0 H GLY A 78 -6.872 -9.434 -13.144 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.941 -11.541 -13.211 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.897 -10.892 -14.459 1.00 0.00 H new ATOM 1271 N SER A 79 -2.844 -11.048 -13.032 1.00 0.00 N ATOM 1272 CA SER A 79 -1.631 -11.168 -12.173 1.00 0.00 C ATOM 1273 C SER A 79 -1.025 -9.784 -11.913 1.00 0.00 C ATOM 1274 O SER A 79 0.113 -9.663 -11.505 1.00 0.00 O ATOM 1275 CB SER A 79 -0.664 -12.035 -12.976 1.00 0.00 C ATOM 1276 OG SER A 79 -1.341 -13.201 -13.427 1.00 0.00 O ATOM 0 H SER A 79 -2.673 -11.111 -14.036 1.00 0.00 H new ATOM 0 HA SER A 79 -1.856 -11.602 -11.199 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.275 -11.475 -13.826 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.191 -12.313 -12.360 1.00 0.00 H new ATOM 0 HG SER A 79 -0.723 -13.759 -13.944 1.00 0.00 H new ATOM 1282 N MET A 80 -1.779 -8.740 -12.140 1.00 0.00 N ATOM 1283 CA MET A 80 -1.248 -7.370 -11.900 1.00 0.00 C ATOM 1284 C MET A 80 -2.128 -6.647 -10.876 1.00 0.00 C ATOM 1285 O MET A 80 -3.337 -6.760 -10.902 1.00 0.00 O ATOM 1286 CB MET A 80 -1.317 -6.669 -13.256 1.00 0.00 C ATOM 1287 CG MET A 80 -0.027 -6.936 -14.035 1.00 0.00 C ATOM 1288 SD MET A 80 -0.432 -7.387 -15.741 1.00 0.00 S ATOM 1289 CE MET A 80 -0.484 -5.708 -16.415 1.00 0.00 C ATOM 0 H MET A 80 -2.739 -8.779 -12.481 1.00 0.00 H new ATOM 0 HA MET A 80 -0.232 -7.381 -11.505 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.177 -7.030 -13.821 1.00 0.00 H new ATOM 0 HB3 MET A 80 -1.455 -5.597 -13.116 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.607 -6.050 -14.023 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.537 -7.738 -13.560 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.722 -5.750 -17.478 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.248 -5.130 -15.894 1.00 0.00 H new ATOM 0 HE3 MET A 80 0.487 -5.231 -16.279 1.00 0.00 H new ATOM 1299 N ILE A 81 -1.542 -5.906 -9.977 1.00 0.00 N ATOM 1300 CA ILE A 81 -2.368 -5.190 -8.967 1.00 0.00 C ATOM 1301 C ILE A 81 -2.418 -3.691 -9.295 1.00 0.00 C ATOM 1302 O ILE A 81 -1.406 -3.030 -9.412 1.00 0.00 O ATOM 1303 CB ILE A 81 -1.662 -5.427 -7.634 1.00 0.00 C ATOM 1304 CG1 ILE A 81 -1.656 -6.926 -7.326 1.00 0.00 C ATOM 1305 CG2 ILE A 81 -2.405 -4.682 -6.525 1.00 0.00 C ATOM 1306 CD1 ILE A 81 -0.984 -7.169 -5.975 1.00 0.00 C ATOM 0 H ILE A 81 -0.535 -5.766 -9.898 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.398 -5.546 -8.947 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.637 -5.061 -7.692 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.677 -7.308 -7.310 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.125 -7.467 -8.110 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.902 -4.851 -5.573 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -2.414 -3.615 -6.747 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -3.430 -5.049 -6.464 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.981 -8.237 -5.757 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.042 -6.802 -6.008 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.533 -6.641 -5.195 1.00 0.00 H new ATOM 1318 N VAL A 82 -3.598 -3.166 -9.442 1.00 0.00 N ATOM 1319 CA VAL A 82 -3.769 -1.719 -9.765 1.00 0.00 C ATOM 1320 C VAL A 82 -3.970 -0.891 -8.495 1.00 0.00 C ATOM 1321 O VAL A 82 -4.978 -1.012 -7.833 1.00 0.00 O ATOM 1322 CB VAL A 82 -5.037 -1.654 -10.617 1.00 0.00 C ATOM 1323 CG1 VAL A 82 -5.270 -0.206 -11.028 1.00 0.00 C ATOM 1324 CG2 VAL A 82 -4.844 -2.511 -11.867 1.00 0.00 C ATOM 0 H VAL A 82 -4.471 -3.686 -9.351 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.891 -1.319 -10.273 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.892 -2.024 -10.051 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.172 -0.141 -11.637 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.389 0.410 -10.137 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.416 0.150 -11.604 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.745 -2.469 -12.479 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.998 -2.133 -12.440 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.652 -3.543 -11.574 1.00 0.00 H new ATOM 1334 N ILE A 83 -3.036 -0.046 -8.149 1.00 0.00 N ATOM 1335 CA ILE A 83 -3.220 0.772 -6.912 1.00 0.00 C ATOM 1336 C ILE A 83 -2.916 2.245 -7.165 1.00 0.00 C ATOM 1337 O ILE A 83 -2.152 2.600 -8.042 1.00 0.00 O ATOM 1338 CB ILE A 83 -2.229 0.181 -5.905 1.00 0.00 C ATOM 1339 CG1 ILE A 83 -2.548 -1.304 -5.720 1.00 0.00 C ATOM 1340 CG2 ILE A 83 -2.342 0.903 -4.558 1.00 0.00 C ATOM 1341 CD1 ILE A 83 -1.474 -1.981 -4.873 1.00 0.00 C ATOM 0 H ILE A 83 -2.167 0.113 -8.659 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.249 0.737 -6.555 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.213 0.305 -6.279 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -3.521 -1.416 -5.241 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.613 -1.792 -6.693 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.631 0.471 -3.853 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.122 1.962 -4.693 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.354 0.790 -4.168 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.718 -3.037 -4.752 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.507 -1.886 -5.367 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.429 -1.505 -3.894 1.00 0.00 H new ATOM 1353 N TYR A 84 -3.513 3.102 -6.386 1.00 0.00 N ATOM 1354 CA TYR A 84 -3.275 4.558 -6.546 1.00 0.00 C ATOM 1355 C TYR A 84 -2.616 5.112 -5.274 1.00 0.00 C ATOM 1356 O TYR A 84 -3.223 5.182 -4.223 1.00 0.00 O ATOM 1357 CB TYR A 84 -4.679 5.155 -6.765 1.00 0.00 C ATOM 1358 CG TYR A 84 -4.678 6.647 -6.492 1.00 0.00 C ATOM 1359 CD1 TYR A 84 -3.819 7.493 -7.204 1.00 0.00 C ATOM 1360 CD2 TYR A 84 -5.536 7.177 -5.520 1.00 0.00 C ATOM 1361 CE1 TYR A 84 -3.817 8.868 -6.944 1.00 0.00 C ATOM 1362 CE2 TYR A 84 -5.533 8.553 -5.260 1.00 0.00 C ATOM 1363 CZ TYR A 84 -4.675 9.398 -5.971 1.00 0.00 C ATOM 1364 OH TYR A 84 -4.670 10.754 -5.713 1.00 0.00 O ATOM 0 H TYR A 84 -4.161 2.851 -5.639 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.607 4.801 -7.372 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -5.003 4.968 -7.789 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.396 4.661 -6.109 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.158 7.084 -7.954 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -6.199 6.525 -4.971 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -3.154 9.521 -7.493 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.194 8.962 -4.510 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.911 11.171 -6.171 1.00 0.00 H new ATOM 1374 N ARG A 85 -1.380 5.508 -5.376 1.00 0.00 N ATOM 1375 CA ARG A 85 -0.660 6.070 -4.194 1.00 0.00 C ATOM 1376 C ARG A 85 -1.094 7.517 -3.952 1.00 0.00 C ATOM 1377 O ARG A 85 -1.334 8.257 -4.884 1.00 0.00 O ATOM 1378 CB ARG A 85 0.826 5.998 -4.553 1.00 0.00 C ATOM 1379 CG ARG A 85 1.115 6.914 -5.746 1.00 0.00 C ATOM 1380 CD ARG A 85 1.551 8.291 -5.239 1.00 0.00 C ATOM 1381 NE ARG A 85 3.019 8.345 -5.486 1.00 0.00 N ATOM 1382 CZ ARG A 85 3.742 9.277 -4.925 1.00 0.00 C ATOM 1383 NH1 ARG A 85 3.553 9.585 -3.671 1.00 0.00 N ATOM 1384 NH2 ARG A 85 4.655 9.900 -5.618 1.00 0.00 N ATOM 0 H ARG A 85 -0.830 5.467 -6.234 1.00 0.00 H new ATOM 0 HA ARG A 85 -0.877 5.519 -3.279 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.431 6.297 -3.697 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.102 4.972 -4.795 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.896 6.480 -6.370 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.226 7.009 -6.369 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.032 9.089 -5.769 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.324 8.412 -4.180 1.00 0.00 H new ATOM 0 HE ARG A 85 3.460 7.654 -6.093 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.840 9.098 -3.128 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.118 10.313 -3.234 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.804 9.659 -6.598 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.220 10.628 -5.180 1.00 0.00 H new ATOM 1398 N GLU A 86 -1.230 7.903 -2.701 1.00 0.00 N ATOM 1399 CA GLU A 86 -1.675 9.296 -2.354 1.00 0.00 C ATOM 1400 C GLU A 86 -1.059 10.347 -3.291 1.00 0.00 C ATOM 1401 O GLU A 86 -0.141 10.076 -4.040 1.00 0.00 O ATOM 1402 CB GLU A 86 -1.201 9.511 -0.910 1.00 0.00 C ATOM 1403 CG GLU A 86 0.318 9.730 -0.875 1.00 0.00 C ATOM 1404 CD GLU A 86 0.809 9.678 0.573 1.00 0.00 C ATOM 1405 OE1 GLU A 86 0.199 10.323 1.409 1.00 0.00 O ATOM 1406 OE2 GLU A 86 1.787 8.992 0.821 1.00 0.00 O ATOM 0 H GLU A 86 -1.049 7.304 -1.896 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.754 9.406 -2.462 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.710 10.373 -0.478 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.465 8.646 -0.301 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.820 8.965 -1.468 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.567 10.693 -1.320 1.00 0.00 H new ATOM 1413 N SER A 87 -1.551 11.551 -3.242 1.00 0.00 N ATOM 1414 CA SER A 87 -1.002 12.606 -4.122 1.00 0.00 C ATOM 1415 C SER A 87 -0.003 13.461 -3.361 1.00 0.00 C ATOM 1416 O SER A 87 -0.162 13.735 -2.188 1.00 0.00 O ATOM 1417 CB SER A 87 -2.204 13.445 -4.546 1.00 0.00 C ATOM 1418 OG SER A 87 -3.069 12.654 -5.353 1.00 0.00 O ATOM 0 H SER A 87 -2.310 11.847 -2.629 1.00 0.00 H new ATOM 0 HA SER A 87 -0.476 12.187 -4.980 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.738 13.807 -3.667 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.872 14.323 -5.101 1.00 0.00 H new ATOM 0 HG SER A 87 -3.617 12.079 -4.779 1.00 0.00 H new ATOM 1424 N LYS A 88 1.011 13.904 -4.032 1.00 0.00 N ATOM 1425 CA LYS A 88 2.014 14.764 -3.377 1.00 0.00 C ATOM 1426 C LYS A 88 2.470 15.773 -4.417 1.00 0.00 C ATOM 1427 O LYS A 88 2.455 16.969 -4.203 1.00 0.00 O ATOM 1428 CB LYS A 88 3.158 13.834 -2.965 1.00 0.00 C ATOM 1429 CG LYS A 88 3.281 13.816 -1.439 1.00 0.00 C ATOM 1430 CD LYS A 88 4.652 13.266 -1.043 1.00 0.00 C ATOM 1431 CE LYS A 88 5.573 14.422 -0.646 1.00 0.00 C ATOM 1432 NZ LYS A 88 5.245 14.701 0.781 1.00 0.00 N ATOM 0 H LYS A 88 1.188 13.704 -5.016 1.00 0.00 H new ATOM 0 HA LYS A 88 1.641 15.299 -2.504 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.973 12.826 -3.337 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.093 14.172 -3.411 1.00 0.00 H new ATOM 0 HG2 LYS A 88 3.153 14.823 -1.042 1.00 0.00 H new ATOM 0 HG3 LYS A 88 2.492 13.200 -1.007 1.00 0.00 H new ATOM 0 HD2 LYS A 88 4.549 12.568 -0.212 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.086 12.711 -1.874 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.622 14.150 -0.764 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.399 15.298 -1.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.837 15.483 1.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 4.242 14.964 0.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.427 13.851 1.352 1.00 0.00 H new ATOM 1446 N GLU A 89 2.816 15.284 -5.574 1.00 0.00 N ATOM 1447 CA GLU A 89 3.207 16.187 -6.676 1.00 0.00 C ATOM 1448 C GLU A 89 2.014 16.295 -7.622 1.00 0.00 C ATOM 1449 O GLU A 89 1.519 15.306 -8.121 1.00 0.00 O ATOM 1450 CB GLU A 89 4.387 15.502 -7.366 1.00 0.00 C ATOM 1451 CG GLU A 89 5.672 15.776 -6.585 1.00 0.00 C ATOM 1452 CD GLU A 89 6.881 15.411 -7.449 1.00 0.00 C ATOM 1453 OE1 GLU A 89 6.940 15.871 -8.577 1.00 0.00 O ATOM 1454 OE2 GLU A 89 7.727 14.675 -6.967 1.00 0.00 O ATOM 0 H GLU A 89 2.843 14.290 -5.799 1.00 0.00 H new ATOM 0 HA GLU A 89 3.485 17.188 -6.347 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.210 14.428 -7.429 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.486 15.869 -8.388 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.720 16.827 -6.299 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.681 15.194 -5.663 1.00 0.00 H new ATOM 1461 N ASN A 90 1.538 17.480 -7.843 1.00 0.00 N ATOM 1462 CA ASN A 90 0.355 17.678 -8.732 1.00 0.00 C ATOM 1463 C ASN A 90 0.585 17.057 -10.109 1.00 0.00 C ATOM 1464 O ASN A 90 0.982 17.714 -11.051 1.00 0.00 O ATOM 1465 CB ASN A 90 0.186 19.195 -8.845 1.00 0.00 C ATOM 1466 CG ASN A 90 1.501 19.827 -9.306 1.00 0.00 C ATOM 1467 OD1 ASN A 90 2.419 19.133 -9.697 1.00 0.00 O ATOM 1468 ND2 ASN A 90 1.633 21.125 -9.276 1.00 0.00 N ATOM 0 H ASN A 90 1.919 18.337 -7.442 1.00 0.00 H new ATOM 0 HA ASN A 90 -0.534 17.195 -8.327 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.609 19.430 -9.552 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -0.110 19.610 -7.882 1.00 0.00 H new ATOM 0 HD21 ASN A 90 2.506 21.556 -9.581 1.00 0.00 H new ATOM 0 HD22 ASN A 90 0.863 21.708 -8.948 1.00 0.00 H new ATOM 1475 N LYS A 91 0.302 15.796 -10.225 1.00 0.00 N ATOM 1476 CA LYS A 91 0.451 15.091 -11.524 1.00 0.00 C ATOM 1477 C LYS A 91 -0.914 15.067 -12.201 1.00 0.00 C ATOM 1478 O LYS A 91 -1.922 15.211 -11.543 1.00 0.00 O ATOM 1479 CB LYS A 91 0.907 13.676 -11.167 1.00 0.00 C ATOM 1480 CG LYS A 91 2.347 13.467 -11.637 1.00 0.00 C ATOM 1481 CD LYS A 91 2.345 12.645 -12.928 1.00 0.00 C ATOM 1482 CE LYS A 91 3.379 13.216 -13.900 1.00 0.00 C ATOM 1483 NZ LYS A 91 3.140 12.495 -15.181 1.00 0.00 N ATOM 0 H LYS A 91 -0.033 15.211 -9.460 1.00 0.00 H new ATOM 0 HA LYS A 91 1.162 15.566 -12.200 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.839 13.522 -10.090 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.251 12.943 -11.636 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.829 14.430 -11.806 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.922 12.953 -10.866 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.575 11.602 -12.708 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.354 12.664 -13.382 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.254 14.292 -14.023 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.394 13.052 -13.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 3.812 12.832 -15.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.273 11.474 -15.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.168 12.675 -15.504 1.00 0.00 H new ATOM 1497 N GLU A 92 -0.973 14.907 -13.496 1.00 0.00 N ATOM 1498 CA GLU A 92 -2.306 14.888 -14.168 1.00 0.00 C ATOM 1499 C GLU A 92 -3.084 13.666 -13.678 1.00 0.00 C ATOM 1500 O GLU A 92 -3.158 12.647 -14.336 1.00 0.00 O ATOM 1501 CB GLU A 92 -2.000 14.776 -15.663 1.00 0.00 C ATOM 1502 CG GLU A 92 -3.164 15.355 -16.470 1.00 0.00 C ATOM 1503 CD GLU A 92 -3.056 14.893 -17.924 1.00 0.00 C ATOM 1504 OE1 GLU A 92 -2.045 15.178 -18.543 1.00 0.00 O ATOM 1505 OE2 GLU A 92 -3.989 14.262 -18.395 1.00 0.00 O ATOM 0 H GLU A 92 -0.168 14.790 -14.111 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.907 15.772 -13.956 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.080 15.311 -15.897 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.839 13.733 -15.934 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.113 15.030 -16.044 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.148 16.444 -16.421 1.00 0.00 H new ATOM 1512 N ILE A 93 -3.634 13.765 -12.498 1.00 0.00 N ATOM 1513 CA ILE A 93 -4.385 12.631 -11.901 1.00 0.00 C ATOM 1514 C ILE A 93 -5.889 12.932 -11.889 1.00 0.00 C ATOM 1515 O ILE A 93 -6.311 14.044 -11.641 1.00 0.00 O ATOM 1516 CB ILE A 93 -3.812 12.525 -10.468 1.00 0.00 C ATOM 1517 CG1 ILE A 93 -2.560 11.642 -10.494 1.00 0.00 C ATOM 1518 CG2 ILE A 93 -4.841 11.915 -9.496 1.00 0.00 C ATOM 1519 CD1 ILE A 93 -2.955 10.189 -10.795 1.00 0.00 C ATOM 0 H ILE A 93 -3.592 14.601 -11.915 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.276 11.700 -12.457 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.567 13.529 -10.121 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.864 12.004 -11.251 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -2.045 11.697 -9.535 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -4.407 11.854 -8.498 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -5.731 12.543 -9.467 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.113 10.915 -9.835 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.061 9.565 -10.812 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.634 9.829 -10.022 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.451 10.140 -11.765 1.00 0.00 H new ATOM 1531 N GLU A 94 -6.693 11.935 -12.118 1.00 0.00 N ATOM 1532 CA GLU A 94 -8.169 12.146 -12.078 1.00 0.00 C ATOM 1533 C GLU A 94 -8.711 11.622 -10.774 1.00 0.00 C ATOM 1534 O GLU A 94 -8.280 10.597 -10.280 1.00 0.00 O ATOM 1535 CB GLU A 94 -8.779 11.327 -13.210 1.00 0.00 C ATOM 1536 CG GLU A 94 -8.212 9.907 -13.203 1.00 0.00 C ATOM 1537 CD GLU A 94 -7.144 9.779 -14.292 1.00 0.00 C ATOM 1538 OE1 GLU A 94 -7.506 9.804 -15.456 1.00 0.00 O ATOM 1539 OE2 GLU A 94 -5.981 9.659 -13.942 1.00 0.00 O ATOM 0 H GLU A 94 -6.395 10.983 -12.331 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.406 13.205 -12.177 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.863 11.294 -13.101 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.570 11.805 -14.167 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -7.781 9.681 -12.228 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.010 9.184 -13.374 1.00 0.00 H new ATOM 1546 N LEU A 95 -9.669 12.288 -10.222 1.00 0.00 N ATOM 1547 CA LEU A 95 -10.245 11.785 -8.965 1.00 0.00 C ATOM 1548 C LEU A 95 -11.506 12.583 -8.606 1.00 0.00 C ATOM 1549 O LEU A 95 -11.503 13.374 -7.684 1.00 0.00 O ATOM 1550 CB LEU A 95 -9.138 11.957 -7.917 1.00 0.00 C ATOM 1551 CG LEU A 95 -9.400 11.057 -6.705 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -10.665 11.517 -5.980 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -9.570 9.607 -7.163 1.00 0.00 C ATOM 0 H LEU A 95 -10.075 13.151 -10.583 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.557 10.743 -9.032 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.171 11.712 -8.357 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.088 12.999 -7.600 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.552 11.123 -6.024 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -10.846 10.873 -5.119 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -10.538 12.546 -5.643 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -11.515 11.461 -6.660 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -9.756 8.971 -6.297 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.413 9.539 -7.851 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.662 9.276 -7.668 1.00 0.00 H new ATOM 1565 N PRO A 96 -12.550 12.337 -9.356 1.00 0.00 N ATOM 1566 CA PRO A 96 -13.846 13.027 -9.121 1.00 0.00 C ATOM 1567 C PRO A 96 -14.442 12.607 -7.774 1.00 0.00 C ATOM 1568 O PRO A 96 -13.799 11.839 -7.078 1.00 0.00 O ATOM 1569 CB PRO A 96 -14.720 12.545 -10.278 1.00 0.00 C ATOM 1570 CG PRO A 96 -14.110 11.246 -10.684 1.00 0.00 C ATOM 1571 CD PRO A 96 -12.631 11.405 -10.486 1.00 0.00 C ATOM 0 HA PRO A 96 -13.754 14.112 -9.084 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -15.757 12.418 -9.967 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -14.720 13.259 -11.101 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -14.499 10.426 -10.080 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -14.342 11.014 -11.723 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -12.149 10.454 -10.260 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -12.145 11.806 -11.376 1.00 0.00 H new TER 1579 PRO A 96