USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 952 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 99 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0711) USER MOD Set 1.2: A 115 TYR OH : rot -130:sc= -0.217 USER MOD Set 2.1: A 90 SER OG : rot 180:sc= 0.0251 USER MOD Set 2.2: A 116 CYS SG : rot 140:sc= -2.1! USER MOD Set 3.1: A 54 ASN : amide:sc=-0.00029 K(o=-0.00029,f=-1) USER MOD Set 3.2: A 84 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 59 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 61 HIS : no HE2:sc= -1.13 K(o=-1.1,f=-3.4!) USER MOD Set 5.1: A 12 HIS : no HD1:sc= -1.25 K(o=-1.2,f=-2.5!) USER MOD Set 5.2: A 72 LYS NZ :NH3+ -124:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0512) USER MOD Single : A 6 THR OG1 : rot -150:sc= -0.454 USER MOD Single : A 16 THR OG1 : rot -117:sc= 0.59 USER MOD Single : A 17 THR OG1 : rot 84:sc= 1.34 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0288) USER MOD Single : A 28 GLN : amide:sc= -2.13! K(o=-2.1!,f=-0.0037) USER MOD Single : A 31 SER OG : rot -75:sc= 0.209 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.0772 K(o=-0.077,f=-3.6!) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 153:sc= 0.0649 USER MOD Single : A 62 TYR OH : rot -30:sc= -1.11 USER MOD Single : A 64 THR OG1 : rot 96:sc= -0.0823 USER MOD Single : A 68 GLN : amide:sc= -0.0418 X(o=-0.042,f=-0.042) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0504 USER MOD Single : A 75 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0426) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.234 X(o=-0.23,f=-0.0076) USER MOD Single : A 95 SER OG : rot 180:sc= 0.107 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0.26 X(o=0.26,f=-0.072) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 119 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0712) USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 4 -9.179 -18.081 -13.864 1.00 0.00 N ATOM 2 CA TYR A 4 -7.945 -17.617 -13.203 1.00 0.00 C ATOM 3 C TYR A 4 -8.215 -17.174 -11.758 1.00 0.00 C ATOM 4 O TYR A 4 -8.776 -17.930 -10.965 1.00 0.00 O ATOM 5 CB TYR A 4 -7.215 -16.608 -14.084 1.00 0.00 C ATOM 6 CG TYR A 4 -5.700 -16.651 -13.949 1.00 0.00 C ATOM 7 CD1 TYR A 4 -4.983 -17.653 -14.530 1.00 0.00 C ATOM 8 CD2 TYR A 4 -5.051 -15.594 -13.397 1.00 0.00 C ATOM 9 CE1 TYR A 4 -3.628 -17.586 -14.564 1.00 0.00 C ATOM 10 CE2 TYR A 4 -3.696 -15.529 -13.428 1.00 0.00 C ATOM 11 CZ TYR A 4 -2.982 -16.528 -14.009 1.00 0.00 C ATOM 12 OH TYR A 4 -1.616 -16.449 -14.069 1.00 0.00 O ATOM 0 HA TYR A 4 -7.247 -18.447 -13.093 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -7.482 -16.790 -15.125 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -7.563 -15.605 -13.836 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.493 -18.501 -14.964 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -5.616 -14.801 -12.931 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -3.062 -18.376 -15.034 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -3.185 -14.684 -12.991 1.00 0.00 H new ATOM 0 HH TYR A 4 -1.316 -15.629 -13.625 1.00 0.00 H new ATOM 22 N LYS A 5 -7.763 -15.977 -11.399 1.00 0.00 N ATOM 23 CA LYS A 5 -7.704 -15.580 -9.991 1.00 0.00 C ATOM 24 C LYS A 5 -8.487 -14.287 -9.764 1.00 0.00 C ATOM 25 O LYS A 5 -8.629 -13.446 -10.653 1.00 0.00 O ATOM 26 CB LYS A 5 -6.230 -15.336 -9.645 1.00 0.00 C ATOM 27 CG LYS A 5 -5.423 -16.635 -9.523 1.00 0.00 C ATOM 28 CD LYS A 5 -3.966 -16.340 -9.148 1.00 0.00 C ATOM 29 CE LYS A 5 -3.123 -17.615 -9.027 1.00 0.00 C ATOM 30 NZ LYS A 5 -3.557 -18.441 -7.889 1.00 0.00 N ATOM 0 H LYS A 5 -7.434 -15.268 -12.055 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.138 -16.360 -9.366 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.781 -14.706 -10.413 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.169 -14.786 -8.706 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.874 -17.279 -8.768 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.457 -17.179 -10.467 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.525 -15.687 -9.901 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.940 -15.799 -8.202 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.200 -18.193 -9.948 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.073 -17.348 -8.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.895 -19.233 -7.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.573 -17.862 -7.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.510 -18.813 -8.074 1.00 0.00 H new ATOM 44 N THR A 6 -8.941 -14.103 -8.526 1.00 0.00 N ATOM 45 CA THR A 6 -9.473 -12.793 -8.126 1.00 0.00 C ATOM 46 C THR A 6 -8.300 -11.844 -7.863 1.00 0.00 C ATOM 47 O THR A 6 -7.264 -12.253 -7.336 1.00 0.00 O ATOM 48 CB THR A 6 -10.367 -12.954 -6.882 1.00 0.00 C ATOM 49 OG1 THR A 6 -10.923 -11.693 -6.547 1.00 0.00 O ATOM 50 CG2 THR A 6 -9.655 -13.513 -5.644 1.00 0.00 C ATOM 0 H THR A 6 -8.954 -14.818 -7.798 1.00 0.00 H new ATOM 0 HA THR A 6 -10.088 -12.370 -8.920 1.00 0.00 H new ATOM 0 HB THR A 6 -11.126 -13.686 -7.156 1.00 0.00 H new ATOM 0 HG1 THR A 6 -11.073 -11.648 -5.580 1.00 0.00 H new ATOM 0 HG21 THR A 6 -10.364 -13.590 -4.820 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.253 -14.500 -5.870 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.841 -12.846 -5.360 1.00 0.00 H new ATOM 58 N GLY A 7 -8.446 -10.581 -8.251 1.00 0.00 N ATOM 59 CA GLY A 7 -7.414 -9.598 -7.907 1.00 0.00 C ATOM 60 C GLY A 7 -7.945 -8.284 -7.352 1.00 0.00 C ATOM 61 O GLY A 7 -9.070 -8.170 -6.867 1.00 0.00 O ATOM 0 H GLY A 7 -9.236 -10.219 -8.784 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.741 -10.041 -7.173 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.821 -9.387 -8.797 1.00 0.00 H new ATOM 65 N LEU A 8 -7.050 -7.303 -7.388 1.00 0.00 N ATOM 66 CA LEU A 8 -7.279 -6.015 -6.737 1.00 0.00 C ATOM 67 C LEU A 8 -6.880 -4.919 -7.714 1.00 0.00 C ATOM 68 O LEU A 8 -5.840 -5.009 -8.369 1.00 0.00 O ATOM 69 CB LEU A 8 -6.317 -5.945 -5.535 1.00 0.00 C ATOM 70 CG LEU A 8 -7.031 -5.681 -4.216 1.00 0.00 C ATOM 71 CD1 LEU A 8 -5.962 -5.610 -3.127 1.00 0.00 C ATOM 72 CD2 LEU A 8 -7.831 -4.376 -4.272 1.00 0.00 C ATOM 0 H LEU A 8 -6.151 -7.375 -7.865 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.319 -5.900 -6.430 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.766 -6.883 -5.462 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.584 -5.157 -5.709 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.743 -6.480 -4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.436 -5.421 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.421 -6.555 -3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.265 -4.803 -3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.330 -4.214 -3.317 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.156 -3.544 -4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.577 -4.440 -5.064 1.00 0.00 H new ATOM 84 N LEU A 9 -7.657 -3.848 -7.765 1.00 0.00 N ATOM 85 CA LEU A 9 -7.234 -2.673 -8.500 1.00 0.00 C ATOM 86 C LEU A 9 -7.259 -1.463 -7.557 1.00 0.00 C ATOM 87 O LEU A 9 -8.232 -1.205 -6.847 1.00 0.00 O ATOM 88 CB LEU A 9 -8.163 -2.617 -9.710 1.00 0.00 C ATOM 89 CG LEU A 9 -8.216 -1.250 -10.371 1.00 0.00 C ATOM 90 CD1 LEU A 9 -6.864 -0.961 -10.989 1.00 0.00 C ATOM 91 CD2 LEU A 9 -9.279 -1.309 -11.445 1.00 0.00 C ATOM 0 H LEU A 9 -8.568 -3.770 -7.313 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.208 -2.689 -8.868 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.836 -3.354 -10.444 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.169 -2.901 -9.399 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.452 -0.464 -9.653 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.885 0.018 -11.468 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.100 -0.968 -10.212 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.633 -1.724 -11.732 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.347 -0.342 -11.944 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.017 -2.076 -12.174 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.240 -1.552 -10.992 1.00 0.00 H new ATOM 103 N LEU A 10 -6.169 -0.708 -7.606 1.00 0.00 N ATOM 104 CA LEU A 10 -6.151 0.637 -7.009 1.00 0.00 C ATOM 105 C LEU A 10 -6.179 1.670 -8.148 1.00 0.00 C ATOM 106 O LEU A 10 -5.698 1.434 -9.257 1.00 0.00 O ATOM 107 CB LEU A 10 -4.925 0.886 -6.101 1.00 0.00 C ATOM 108 CG LEU A 10 -5.081 0.445 -4.640 1.00 0.00 C ATOM 109 CD1 LEU A 10 -5.237 -1.072 -4.503 1.00 0.00 C ATOM 110 CD2 LEU A 10 -3.862 0.902 -3.835 1.00 0.00 C ATOM 0 H LEU A 10 -5.293 -0.992 -8.045 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.027 0.730 -6.367 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.067 0.367 -6.529 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.694 1.951 -6.117 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.990 0.907 -4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.344 -1.333 -3.450 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.122 -1.398 -5.049 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.356 -1.567 -4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.973 0.589 -2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.961 0.455 -4.254 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.783 1.988 -3.879 1.00 0.00 H new ATOM 122 N ILE A 11 -6.775 2.824 -7.865 1.00 0.00 N ATOM 123 CA ILE A 11 -6.923 3.881 -8.888 1.00 0.00 C ATOM 124 C ILE A 11 -6.486 5.225 -8.290 1.00 0.00 C ATOM 125 O ILE A 11 -6.821 5.534 -7.144 1.00 0.00 O ATOM 126 CB ILE A 11 -8.388 3.977 -9.378 1.00 0.00 C ATOM 127 CG1 ILE A 11 -9.018 2.603 -9.687 1.00 0.00 C ATOM 128 CG2 ILE A 11 -8.472 4.858 -10.628 1.00 0.00 C ATOM 129 CD1 ILE A 11 -10.503 2.685 -10.051 1.00 0.00 C ATOM 0 H ILE A 11 -7.162 3.060 -6.951 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.295 3.632 -9.743 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.954 4.419 -8.558 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.475 2.139 -10.510 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.899 1.953 -8.820 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.508 4.917 -10.962 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.109 5.858 -10.393 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.859 4.426 -11.419 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.883 1.684 -10.256 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -11.058 3.120 -9.220 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.627 3.309 -10.936 1.00 0.00 H new ATOM 141 N HIS A 12 -5.840 6.084 -9.080 1.00 0.00 N ATOM 142 CA HIS A 12 -5.808 7.512 -8.738 1.00 0.00 C ATOM 143 C HIS A 12 -6.653 8.268 -9.783 1.00 0.00 C ATOM 144 O HIS A 12 -6.443 8.074 -10.981 1.00 0.00 O ATOM 145 CB HIS A 12 -4.355 7.985 -8.818 1.00 0.00 C ATOM 146 CG HIS A 12 -4.088 9.466 -8.588 1.00 0.00 C ATOM 147 ND1 HIS A 12 -4.908 10.348 -7.901 1.00 0.00 N ATOM 148 CD2 HIS A 12 -3.041 10.151 -9.220 1.00 0.00 C ATOM 149 CE1 HIS A 12 -4.246 11.513 -8.206 1.00 0.00 C ATOM 150 NE2 HIS A 12 -3.117 11.498 -8.967 1.00 0.00 N ATOM 0 H HIS A 12 -5.346 5.830 -9.935 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.202 7.692 -7.738 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -3.776 7.421 -8.087 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.969 7.722 -9.803 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -2.278 9.683 -9.824 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -4.627 12.454 -7.837 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -2.508 12.261 -9.262 1.00 0.00 H new ATOM 158 N PRO A 13 -7.599 9.129 -9.389 1.00 0.00 N ATOM 159 CA PRO A 13 -8.564 9.713 -10.337 1.00 0.00 C ATOM 160 C PRO A 13 -8.072 10.559 -11.518 1.00 0.00 C ATOM 161 O PRO A 13 -8.870 10.893 -12.393 1.00 0.00 O ATOM 162 CB PRO A 13 -9.350 10.632 -9.409 1.00 0.00 C ATOM 163 CG PRO A 13 -9.447 9.844 -8.110 1.00 0.00 C ATOM 164 CD PRO A 13 -8.076 9.178 -7.995 1.00 0.00 C ATOM 0 HA PRO A 13 -9.061 8.894 -10.858 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -8.839 11.583 -9.262 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.336 10.859 -9.813 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.650 10.495 -7.260 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.250 9.107 -8.146 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.402 9.754 -7.360 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.149 8.181 -7.561 1.00 0.00 H new ATOM 172 N ALA A 14 -6.840 11.053 -11.500 1.00 0.00 N ATOM 173 CA ALA A 14 -6.498 12.171 -12.395 1.00 0.00 C ATOM 174 C ALA A 14 -6.548 11.871 -13.895 1.00 0.00 C ATOM 175 O ALA A 14 -7.208 12.598 -14.641 1.00 0.00 O ATOM 176 CB ALA A 14 -5.109 12.696 -12.036 1.00 0.00 C ATOM 0 H ALA A 14 -6.082 10.720 -10.904 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.279 12.913 -12.229 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.851 13.524 -12.696 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.107 13.042 -11.002 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.377 11.897 -12.153 1.00 0.00 H new ATOM 182 N VAL A 15 -5.910 10.797 -14.341 1.00 0.00 N ATOM 183 CA VAL A 15 -6.111 10.354 -15.732 1.00 0.00 C ATOM 184 C VAL A 15 -7.305 9.380 -15.818 1.00 0.00 C ATOM 185 O VAL A 15 -7.959 9.286 -16.857 1.00 0.00 O ATOM 186 CB VAL A 15 -4.809 9.758 -16.306 1.00 0.00 C ATOM 187 CG1 VAL A 15 -4.970 9.386 -17.783 1.00 0.00 C ATOM 188 CG2 VAL A 15 -3.646 10.754 -16.208 1.00 0.00 C ATOM 0 H VAL A 15 -5.268 10.227 -13.790 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.359 11.215 -16.352 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.595 8.869 -15.713 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.035 8.969 -18.157 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.764 8.647 -17.888 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.225 10.277 -18.357 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.744 10.302 -16.621 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.891 11.655 -16.770 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.476 11.013 -15.163 1.00 0.00 H new ATOM 198 N THR A 16 -7.589 8.644 -14.743 1.00 0.00 N ATOM 199 CA THR A 16 -8.561 7.548 -14.809 1.00 0.00 C ATOM 200 C THR A 16 -10.037 7.982 -14.811 1.00 0.00 C ATOM 201 O THR A 16 -10.899 7.134 -15.049 1.00 0.00 O ATOM 202 CB THR A 16 -8.285 6.585 -13.651 1.00 0.00 C ATOM 203 OG1 THR A 16 -8.523 7.241 -12.415 1.00 0.00 O ATOM 204 CG2 THR A 16 -6.850 6.050 -13.684 1.00 0.00 C ATOM 0 H THR A 16 -7.166 8.783 -13.825 1.00 0.00 H new ATOM 0 HA THR A 16 -8.421 7.064 -15.776 1.00 0.00 H new ATOM 0 HB THR A 16 -8.959 5.735 -13.757 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.689 7.286 -11.903 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.696 5.371 -12.846 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.682 5.516 -14.619 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.150 6.882 -13.610 1.00 0.00 H new ATOM 212 N THR A 17 -10.379 9.243 -14.519 1.00 0.00 N ATOM 213 CA THR A 17 -11.805 9.585 -14.327 1.00 0.00 C ATOM 214 C THR A 17 -12.558 9.686 -15.679 1.00 0.00 C ATOM 215 O THR A 17 -13.779 9.840 -15.709 1.00 0.00 O ATOM 216 CB THR A 17 -11.881 10.888 -13.510 1.00 0.00 C ATOM 217 OG1 THR A 17 -11.451 10.619 -12.184 1.00 0.00 O ATOM 218 CG2 THR A 17 -13.289 11.477 -13.427 1.00 0.00 C ATOM 0 H THR A 17 -9.724 10.018 -14.413 1.00 0.00 H new ATOM 0 HA THR A 17 -12.307 8.790 -13.776 1.00 0.00 H new ATOM 0 HB THR A 17 -11.247 11.613 -14.020 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.473 10.660 -12.143 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.266 12.393 -12.837 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.649 11.701 -14.431 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.957 10.757 -12.954 1.00 0.00 H new ATOM 226 N THR A 18 -11.859 9.494 -16.796 1.00 0.00 N ATOM 227 CA THR A 18 -12.513 9.305 -18.086 1.00 0.00 C ATOM 228 C THR A 18 -12.526 7.761 -18.321 1.00 0.00 C ATOM 229 O THR A 18 -11.848 7.023 -17.601 1.00 0.00 O ATOM 230 CB THR A 18 -11.565 10.122 -19.008 1.00 0.00 C ATOM 231 OG1 THR A 18 -11.586 11.483 -18.588 1.00 0.00 O ATOM 232 CG2 THR A 18 -11.868 10.133 -20.506 1.00 0.00 C ATOM 0 H THR A 18 -10.840 9.465 -16.832 1.00 0.00 H new ATOM 0 HA THR A 18 -13.543 9.632 -18.224 1.00 0.00 H new ATOM 0 HB THR A 18 -10.607 9.613 -18.901 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.991 12.011 -19.160 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.126 10.741 -21.023 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.834 9.114 -20.892 1.00 0.00 H new ATOM 0 HG23 THR A 18 -12.860 10.551 -20.673 1.00 0.00 H new ATOM 240 N PRO A 19 -13.245 7.203 -19.302 1.00 0.00 N ATOM 241 CA PRO A 19 -13.407 5.732 -19.371 1.00 0.00 C ATOM 242 C PRO A 19 -12.218 4.897 -19.876 1.00 0.00 C ATOM 243 O PRO A 19 -12.289 3.668 -19.860 1.00 0.00 O ATOM 244 CB PRO A 19 -14.577 5.564 -20.345 1.00 0.00 C ATOM 245 CG PRO A 19 -15.429 6.806 -20.133 1.00 0.00 C ATOM 246 CD PRO A 19 -14.413 7.905 -19.845 1.00 0.00 C ATOM 0 HA PRO A 19 -13.538 5.356 -18.356 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.229 5.492 -21.375 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.141 4.655 -20.135 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -16.026 7.036 -21.015 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.123 6.677 -19.303 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.158 8.455 -20.751 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.806 8.630 -19.132 1.00 0.00 H new ATOM 254 N GLU A 20 -11.165 5.522 -20.392 1.00 0.00 N ATOM 255 CA GLU A 20 -10.183 4.773 -21.196 1.00 0.00 C ATOM 256 C GLU A 20 -9.252 3.858 -20.391 1.00 0.00 C ATOM 257 O GLU A 20 -9.094 2.691 -20.747 1.00 0.00 O ATOM 258 CB GLU A 20 -9.331 5.748 -22.017 1.00 0.00 C ATOM 259 CG GLU A 20 -10.128 6.474 -23.107 1.00 0.00 C ATOM 260 CD GLU A 20 -9.246 7.454 -23.868 1.00 0.00 C ATOM 261 OE1 GLU A 20 -8.635 7.053 -24.884 1.00 0.00 O ATOM 262 OE2 GLU A 20 -9.161 8.631 -23.458 1.00 0.00 O ATOM 0 H GLU A 20 -10.965 6.516 -20.278 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.776 4.119 -21.835 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.887 6.485 -21.348 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.509 5.202 -22.480 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.550 5.746 -23.800 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.965 7.007 -22.656 1.00 0.00 H new ATOM 269 N LEU A 21 -8.617 4.361 -19.333 1.00 0.00 N ATOM 270 CA LEU A 21 -7.657 3.528 -18.583 1.00 0.00 C ATOM 271 C LEU A 21 -8.351 2.391 -17.817 1.00 0.00 C ATOM 272 O LEU A 21 -7.792 1.302 -17.667 1.00 0.00 O ATOM 273 CB LEU A 21 -6.857 4.408 -17.609 1.00 0.00 C ATOM 274 CG LEU A 21 -5.706 5.196 -18.256 1.00 0.00 C ATOM 275 CD1 LEU A 21 -6.203 6.277 -19.223 1.00 0.00 C ATOM 276 CD2 LEU A 21 -4.862 5.848 -17.158 1.00 0.00 C ATOM 0 H LEU A 21 -8.738 5.310 -18.978 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.983 3.068 -19.306 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.539 5.112 -17.132 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.449 3.776 -16.820 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.111 4.490 -18.835 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.349 6.803 -19.651 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.781 5.813 -20.022 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.832 6.986 -18.684 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.044 6.408 -17.612 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.485 6.525 -16.574 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.455 5.076 -16.505 1.00 0.00 H new ATOM 288 N VAL A 22 -9.573 2.637 -17.347 1.00 0.00 N ATOM 289 CA VAL A 22 -10.338 1.586 -16.650 1.00 0.00 C ATOM 290 C VAL A 22 -10.735 0.465 -17.626 1.00 0.00 C ATOM 291 O VAL A 22 -10.553 -0.713 -17.326 1.00 0.00 O ATOM 292 CB VAL A 22 -11.567 2.200 -15.949 1.00 0.00 C ATOM 293 CG1 VAL A 22 -12.348 1.141 -15.161 1.00 0.00 C ATOM 294 CG2 VAL A 22 -11.174 3.326 -14.982 1.00 0.00 C ATOM 0 H VAL A 22 -10.053 3.533 -17.430 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.707 1.137 -15.883 1.00 0.00 H new ATOM 0 HB VAL A 22 -12.193 2.609 -16.742 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -13.208 1.607 -14.679 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.691 0.361 -15.841 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.701 0.701 -14.402 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.070 3.730 -14.510 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.507 2.931 -14.216 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.666 4.118 -15.533 1.00 0.00 H new ATOM 304 N GLU A 23 -11.255 0.815 -18.803 1.00 0.00 N ATOM 305 CA GLU A 23 -11.599 -0.188 -19.811 1.00 0.00 C ATOM 306 C GLU A 23 -10.396 -0.994 -20.324 1.00 0.00 C ATOM 307 O GLU A 23 -10.532 -2.175 -20.637 1.00 0.00 O ATOM 308 CB GLU A 23 -12.237 0.614 -20.945 1.00 0.00 C ATOM 309 CG GLU A 23 -13.000 -0.293 -21.898 1.00 0.00 C ATOM 310 CD GLU A 23 -13.623 0.492 -23.045 1.00 0.00 C ATOM 311 OE1 GLU A 23 -14.776 0.952 -22.904 1.00 0.00 O ATOM 312 OE2 GLU A 23 -12.962 0.650 -24.096 1.00 0.00 O ATOM 0 H GLU A 23 -11.446 1.778 -19.080 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.260 -0.943 -19.385 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.913 1.361 -20.530 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.464 1.153 -21.492 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.325 -1.050 -22.299 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.782 -0.820 -21.351 1.00 0.00 H new ATOM 319 N ASN A 24 -9.228 -0.366 -20.414 1.00 0.00 N ATOM 320 CA ASN A 24 -8.012 -1.060 -20.864 1.00 0.00 C ATOM 321 C ASN A 24 -7.502 -2.082 -19.856 1.00 0.00 C ATOM 322 O ASN A 24 -7.207 -3.221 -20.219 1.00 0.00 O ATOM 323 CB ASN A 24 -6.933 0.000 -21.042 1.00 0.00 C ATOM 324 CG ASN A 24 -5.924 -0.347 -22.135 1.00 0.00 C ATOM 325 OD1 ASN A 24 -4.983 -1.110 -21.923 1.00 0.00 O ATOM 326 ND2 ASN A 24 -6.107 0.211 -23.318 1.00 0.00 N ATOM 0 H ASN A 24 -9.091 0.618 -20.184 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.246 -1.597 -21.783 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.405 0.953 -21.281 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.405 0.134 -20.098 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.460 0.012 -24.081 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.895 0.840 -23.469 1.00 0.00 H new ATOM 333 N THR A 25 -7.384 -1.675 -18.591 1.00 0.00 N ATOM 334 CA THR A 25 -6.940 -2.641 -17.565 1.00 0.00 C ATOM 335 C THR A 25 -7.930 -3.817 -17.441 1.00 0.00 C ATOM 336 O THR A 25 -7.525 -4.984 -17.393 1.00 0.00 O ATOM 337 CB THR A 25 -6.603 -1.958 -16.226 1.00 0.00 C ATOM 338 OG1 THR A 25 -5.905 -2.883 -15.406 1.00 0.00 O ATOM 339 CG2 THR A 25 -7.809 -1.438 -15.441 1.00 0.00 C ATOM 0 H THR A 25 -7.577 -0.731 -18.255 1.00 0.00 H new ATOM 0 HA THR A 25 -5.998 -3.077 -17.897 1.00 0.00 H new ATOM 0 HB THR A 25 -6.006 -1.083 -16.483 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.683 -2.459 -14.550 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.468 -0.975 -14.515 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.343 -0.701 -16.040 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.476 -2.268 -15.208 1.00 0.00 H new ATOM 347 N LYS A 26 -9.230 -3.518 -17.480 1.00 0.00 N ATOM 348 CA LYS A 26 -10.241 -4.577 -17.569 1.00 0.00 C ATOM 349 C LYS A 26 -10.167 -5.361 -18.893 1.00 0.00 C ATOM 350 O LYS A 26 -10.447 -6.556 -18.887 1.00 0.00 O ATOM 351 CB LYS A 26 -11.642 -3.970 -17.388 1.00 0.00 C ATOM 352 CG LYS A 26 -11.856 -3.288 -16.026 1.00 0.00 C ATOM 353 CD LYS A 26 -11.744 -4.235 -14.824 1.00 0.00 C ATOM 354 CE LYS A 26 -12.800 -5.347 -14.795 1.00 0.00 C ATOM 355 NZ LYS A 26 -14.156 -4.795 -14.644 1.00 0.00 N ATOM 0 H LYS A 26 -9.604 -2.570 -17.452 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.037 -5.290 -16.770 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.816 -3.241 -18.179 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.386 -4.757 -17.510 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.124 -2.488 -15.914 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.841 -2.822 -16.016 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.754 -4.691 -14.827 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.824 -3.651 -13.907 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.743 -5.929 -15.715 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.589 -6.030 -13.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.836 -5.573 -14.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.188 -4.177 -13.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.403 -4.245 -15.491 1.00 0.00 H new ATOM 369 N ALA A 27 -9.807 -4.740 -20.025 1.00 0.00 N ATOM 370 CA ALA A 27 -9.716 -5.502 -21.286 1.00 0.00 C ATOM 371 C ALA A 27 -8.553 -6.501 -21.317 1.00 0.00 C ATOM 372 O ALA A 27 -8.722 -7.645 -21.743 1.00 0.00 O ATOM 373 CB ALA A 27 -9.628 -4.537 -22.471 1.00 0.00 C ATOM 0 H ALA A 27 -9.581 -3.748 -20.099 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.625 -6.099 -21.358 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.561 -5.105 -23.399 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.518 -3.907 -22.494 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.743 -3.910 -22.365 1.00 0.00 H new ATOM 379 N GLN A 28 -7.378 -6.080 -20.853 1.00 0.00 N ATOM 380 CA GLN A 28 -6.240 -7.003 -20.706 1.00 0.00 C ATOM 381 C GLN A 28 -6.591 -8.191 -19.807 1.00 0.00 C ATOM 382 O GLN A 28 -6.446 -9.347 -20.206 1.00 0.00 O ATOM 383 CB GLN A 28 -5.074 -6.282 -20.025 1.00 0.00 C ATOM 384 CG GLN A 28 -4.406 -5.177 -20.849 1.00 0.00 C ATOM 385 CD GLN A 28 -3.351 -4.490 -19.989 1.00 0.00 C ATOM 386 OE1 GLN A 28 -2.152 -4.554 -20.252 1.00 0.00 O ATOM 387 NE2 GLN A 28 -3.800 -3.860 -18.918 1.00 0.00 N ATOM 0 H GLN A 28 -7.184 -5.118 -20.574 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.982 -7.348 -21.707 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.434 -5.848 -19.092 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.318 -7.021 -19.761 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.947 -5.599 -21.743 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.150 -4.454 -21.183 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.802 -3.826 -18.729 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.145 -3.408 -18.280 1.00 0.00 H new ATOM 396 N ALA A 29 -7.055 -7.897 -18.590 1.00 0.00 N ATOM 397 CA ALA A 29 -7.472 -8.970 -17.671 1.00 0.00 C ATOM 398 C ALA A 29 -8.553 -9.890 -18.275 1.00 0.00 C ATOM 399 O ALA A 29 -8.493 -11.113 -18.137 1.00 0.00 O ATOM 400 CB ALA A 29 -7.965 -8.305 -16.385 1.00 0.00 C ATOM 0 H ALA A 29 -7.152 -6.951 -18.220 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.621 -9.622 -17.470 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.283 -9.071 -15.678 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.158 -7.719 -15.946 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.806 -7.650 -16.613 1.00 0.00 H new ATOM 406 N ALA A 30 -9.545 -9.300 -18.935 1.00 0.00 N ATOM 407 CA ALA A 30 -10.737 -10.059 -19.354 1.00 0.00 C ATOM 408 C ALA A 30 -10.527 -11.002 -20.549 1.00 0.00 C ATOM 409 O ALA A 30 -10.940 -12.161 -20.487 1.00 0.00 O ATOM 410 CB ALA A 30 -11.872 -9.081 -19.665 1.00 0.00 C ATOM 0 H ALA A 30 -9.556 -8.313 -19.192 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.982 -10.710 -18.515 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.757 -9.637 -19.976 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.104 -8.498 -18.774 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.565 -8.410 -20.467 1.00 0.00 H new ATOM 416 N SER A 31 -9.860 -10.560 -21.618 1.00 0.00 N ATOM 417 CA SER A 31 -9.457 -11.490 -22.688 1.00 0.00 C ATOM 418 C SER A 31 -8.567 -12.656 -22.224 1.00 0.00 C ATOM 419 O SER A 31 -8.674 -13.764 -22.751 1.00 0.00 O ATOM 420 CB SER A 31 -8.766 -10.695 -23.803 1.00 0.00 C ATOM 421 OG SER A 31 -7.580 -10.073 -23.323 1.00 0.00 O ATOM 0 H SER A 31 -9.590 -9.588 -21.769 1.00 0.00 H new ATOM 0 HA SER A 31 -10.370 -11.963 -23.051 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.523 -11.360 -24.632 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.447 -9.938 -24.191 1.00 0.00 H new ATOM 0 HG SER A 31 -7.817 -9.297 -22.774 1.00 0.00 H new ATOM 427 N LYS A 32 -7.669 -12.415 -21.270 1.00 0.00 N ATOM 428 CA LYS A 32 -6.650 -13.410 -20.930 1.00 0.00 C ATOM 429 C LYS A 32 -7.183 -14.377 -19.867 1.00 0.00 C ATOM 430 O LYS A 32 -7.817 -15.389 -20.166 1.00 0.00 O ATOM 431 CB LYS A 32 -5.377 -12.650 -20.517 1.00 0.00 C ATOM 432 CG LYS A 32 -4.725 -11.903 -21.688 1.00 0.00 C ATOM 433 CD LYS A 32 -3.466 -11.159 -21.242 1.00 0.00 C ATOM 434 CE LYS A 32 -2.834 -10.394 -22.408 1.00 0.00 C ATOM 435 NZ LYS A 32 -1.626 -9.685 -21.958 1.00 0.00 N ATOM 0 H LYS A 32 -7.624 -11.554 -20.725 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.397 -14.043 -21.781 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.624 -11.938 -19.730 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.659 -13.354 -20.096 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.471 -12.611 -22.477 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.437 -11.195 -22.112 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.716 -10.464 -20.440 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.745 -11.869 -20.836 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.580 -11.086 -23.211 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.551 -9.682 -22.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.207 -9.170 -22.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.878 -9.011 -21.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.937 -10.372 -21.590 1.00 0.00 H new ATOM 449 N LYS A 33 -6.876 -14.054 -18.625 1.00 0.00 N ATOM 450 CA LYS A 33 -7.078 -14.988 -17.503 1.00 0.00 C ATOM 451 C LYS A 33 -7.839 -14.316 -16.347 1.00 0.00 C ATOM 452 O LYS A 33 -8.618 -14.977 -15.664 1.00 0.00 O ATOM 453 CB LYS A 33 -5.735 -15.596 -17.058 1.00 0.00 C ATOM 454 CG LYS A 33 -4.866 -16.202 -18.166 1.00 0.00 C ATOM 455 CD LYS A 33 -5.473 -17.487 -18.742 1.00 0.00 C ATOM 456 CE LYS A 33 -4.500 -18.210 -19.676 1.00 0.00 C ATOM 457 NZ LYS A 33 -4.278 -17.447 -20.916 1.00 0.00 N ATOM 0 H LYS A 33 -6.484 -13.152 -18.354 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.705 -15.812 -17.843 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.157 -14.820 -16.555 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.938 -16.371 -16.319 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.739 -15.472 -18.966 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.873 -16.417 -17.770 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.755 -18.153 -17.926 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.386 -17.245 -19.286 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.549 -18.363 -19.166 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.893 -19.197 -19.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.614 -17.964 -21.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.183 -17.323 -21.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.880 -16.515 -20.683 1.00 0.00 H new ATOM 471 N VAL A 34 -7.515 -13.074 -16.010 1.00 0.00 N ATOM 472 CA VAL A 34 -7.878 -12.523 -14.700 1.00 0.00 C ATOM 473 C VAL A 34 -9.153 -11.680 -14.750 1.00 0.00 C ATOM 474 O VAL A 34 -9.476 -11.002 -15.725 1.00 0.00 O ATOM 475 CB VAL A 34 -6.714 -11.554 -14.350 1.00 0.00 C ATOM 476 CG1 VAL A 34 -6.881 -10.876 -12.989 1.00 0.00 C ATOM 477 CG2 VAL A 34 -5.324 -12.199 -14.353 1.00 0.00 C ATOM 0 H VAL A 34 -7.006 -12.430 -16.616 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.043 -13.333 -13.990 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.774 -10.823 -15.156 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.035 -10.213 -12.806 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.804 -10.296 -12.982 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.923 -11.635 -12.207 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.575 -11.450 -14.098 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.295 -13.005 -13.620 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.112 -12.602 -15.343 1.00 0.00 H new ATOM 487 N LYS A 35 -9.847 -11.694 -13.622 1.00 0.00 N ATOM 488 CA LYS A 35 -10.930 -10.728 -13.394 1.00 0.00 C ATOM 489 C LYS A 35 -10.578 -9.943 -12.128 1.00 0.00 C ATOM 490 O LYS A 35 -10.180 -10.516 -11.112 1.00 0.00 O ATOM 491 CB LYS A 35 -12.284 -11.423 -13.209 1.00 0.00 C ATOM 492 CG LYS A 35 -12.678 -12.313 -14.393 1.00 0.00 C ATOM 493 CD LYS A 35 -14.064 -12.931 -14.185 1.00 0.00 C ATOM 494 CE LYS A 35 -14.449 -13.826 -15.366 1.00 0.00 C ATOM 495 NZ LYS A 35 -15.782 -14.410 -15.148 1.00 0.00 N ATOM 0 H LYS A 35 -9.689 -12.349 -12.856 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.022 -10.074 -14.261 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.252 -12.029 -12.303 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.055 -10.667 -13.060 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.673 -11.725 -15.311 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.939 -13.105 -14.518 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.071 -13.515 -13.264 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.805 -12.140 -14.067 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.445 -13.245 -16.288 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.711 -14.620 -15.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.032 -15.015 -15.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -15.773 -14.980 -14.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.484 -13.648 -15.056 1.00 0.00 H new ATOM 509 N PHE A 36 -10.742 -8.625 -12.185 1.00 0.00 N ATOM 510 CA PHE A 36 -10.531 -7.806 -10.978 1.00 0.00 C ATOM 511 C PHE A 36 -11.892 -7.589 -10.309 1.00 0.00 C ATOM 512 O PHE A 36 -12.908 -7.388 -10.975 1.00 0.00 O ATOM 513 CB PHE A 36 -9.804 -6.473 -11.257 1.00 0.00 C ATOM 514 CG PHE A 36 -8.478 -6.613 -12.003 1.00 0.00 C ATOM 515 CD1 PHE A 36 -7.454 -7.383 -11.526 1.00 0.00 C ATOM 516 CD2 PHE A 36 -8.304 -5.915 -13.158 1.00 0.00 C ATOM 517 CE1 PHE A 36 -6.295 -7.478 -12.228 1.00 0.00 C ATOM 518 CE2 PHE A 36 -7.143 -6.010 -13.854 1.00 0.00 C ATOM 519 CZ PHE A 36 -6.143 -6.805 -13.398 1.00 0.00 C ATOM 0 H PHE A 36 -11.011 -8.107 -13.021 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.862 -8.343 -10.306 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.465 -5.829 -11.837 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.620 -5.970 -10.308 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.566 -7.915 -10.593 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.097 -5.280 -13.524 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.490 -8.092 -11.854 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.015 -5.453 -14.770 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.228 -6.903 -13.964 1.00 0.00 H new ATOM 529 N VAL A 37 -11.906 -7.657 -8.980 1.00 0.00 N ATOM 530 CA VAL A 37 -13.185 -7.670 -8.244 1.00 0.00 C ATOM 531 C VAL A 37 -13.325 -6.504 -7.258 1.00 0.00 C ATOM 532 O VAL A 37 -14.447 -6.111 -6.933 1.00 0.00 O ATOM 533 CB VAL A 37 -13.367 -9.035 -7.553 1.00 0.00 C ATOM 534 CG1 VAL A 37 -12.503 -9.215 -6.301 1.00 0.00 C ATOM 535 CG2 VAL A 37 -14.830 -9.273 -7.181 1.00 0.00 C ATOM 0 H VAL A 37 -11.072 -7.703 -8.394 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.988 -7.527 -8.968 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.037 -9.770 -8.287 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.686 -10.200 -5.871 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.450 -9.127 -6.570 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -12.757 -8.447 -5.570 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -14.929 -10.244 -6.695 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -15.164 -8.491 -6.500 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -15.442 -9.255 -8.083 1.00 0.00 H new ATOM 545 N ASP A 38 -12.213 -5.942 -6.787 1.00 0.00 N ATOM 546 CA ASP A 38 -12.299 -4.899 -5.755 1.00 0.00 C ATOM 547 C ASP A 38 -11.647 -3.609 -6.250 1.00 0.00 C ATOM 548 O ASP A 38 -11.007 -3.549 -7.301 1.00 0.00 O ATOM 549 CB ASP A 38 -11.671 -5.293 -4.399 1.00 0.00 C ATOM 550 CG ASP A 38 -11.164 -6.717 -4.217 1.00 0.00 C ATOM 551 OD1 ASP A 38 -10.059 -7.035 -4.708 1.00 0.00 O ATOM 552 OD2 ASP A 38 -11.860 -7.521 -3.559 1.00 0.00 O ATOM 0 H ASP A 38 -11.268 -6.178 -7.089 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.365 -4.755 -5.577 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.836 -4.618 -4.212 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.413 -5.104 -3.623 1.00 0.00 H new ATOM 557 N GLN A 39 -11.866 -2.554 -5.473 1.00 0.00 N ATOM 558 CA GLN A 39 -11.529 -1.204 -5.930 1.00 0.00 C ATOM 559 C GLN A 39 -11.106 -0.377 -4.739 1.00 0.00 C ATOM 560 O GLN A 39 -11.824 -0.264 -3.744 1.00 0.00 O ATOM 561 CB GLN A 39 -12.698 -0.437 -6.555 1.00 0.00 C ATOM 562 CG GLN A 39 -13.415 -1.195 -7.661 1.00 0.00 C ATOM 563 CD GLN A 39 -12.589 -1.359 -8.935 1.00 0.00 C ATOM 564 OE1 GLN A 39 -11.689 -0.577 -9.234 1.00 0.00 O ATOM 565 NE2 GLN A 39 -12.894 -2.386 -9.708 1.00 0.00 N ATOM 0 H GLN A 39 -12.269 -2.601 -4.537 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.753 -1.342 -6.683 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.416 -0.190 -5.773 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.327 0.506 -6.956 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -13.693 -2.182 -7.291 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -14.341 -0.673 -7.904 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.645 -3.022 -9.439 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.378 -2.543 -10.574 1.00 0.00 H new ATOM 574 N PHE A 40 -9.926 0.199 -4.851 1.00 0.00 N ATOM 575 CA PHE A 40 -9.494 1.137 -3.809 1.00 0.00 C ATOM 576 C PHE A 40 -8.935 2.406 -4.458 1.00 0.00 C ATOM 577 O PHE A 40 -7.972 2.387 -5.219 1.00 0.00 O ATOM 578 CB PHE A 40 -8.453 0.499 -2.895 1.00 0.00 C ATOM 579 CG PHE A 40 -8.894 -0.663 -2.017 1.00 0.00 C ATOM 580 CD1 PHE A 40 -9.941 -0.539 -1.157 1.00 0.00 C ATOM 581 CD2 PHE A 40 -8.164 -1.812 -2.020 1.00 0.00 C ATOM 582 CE1 PHE A 40 -10.244 -1.549 -0.299 1.00 0.00 C ATOM 583 CE2 PHE A 40 -8.474 -2.825 -1.167 1.00 0.00 C ATOM 584 CZ PHE A 40 -9.512 -2.691 -0.305 1.00 0.00 C ATOM 0 H PHE A 40 -9.266 0.050 -5.615 1.00 0.00 H new ATOM 0 HA PHE A 40 -10.357 1.399 -3.196 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -7.628 0.153 -3.518 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.057 1.278 -2.244 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.533 0.364 -1.156 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -7.334 -1.920 -2.703 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.070 -1.442 0.389 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.894 -3.736 -1.176 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.756 -3.493 0.376 1.00 0.00 H new ATOM 594 N LEU A 41 -9.562 3.529 -4.140 1.00 0.00 N ATOM 595 CA LEU A 41 -9.124 4.820 -4.688 1.00 0.00 C ATOM 596 C LEU A 41 -8.137 5.439 -3.693 1.00 0.00 C ATOM 597 O LEU A 41 -8.206 5.205 -2.486 1.00 0.00 O ATOM 598 CB LEU A 41 -10.409 5.633 -4.910 1.00 0.00 C ATOM 599 CG LEU A 41 -10.309 6.909 -5.759 1.00 0.00 C ATOM 600 CD1 LEU A 41 -11.698 7.227 -6.321 1.00 0.00 C ATOM 601 CD2 LEU A 41 -9.830 8.118 -4.953 1.00 0.00 C ATOM 0 H LEU A 41 -10.366 3.581 -3.514 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.593 4.761 -5.638 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.145 4.977 -5.376 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.803 5.911 -3.932 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.580 6.724 -6.548 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -11.647 8.131 -6.927 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.040 6.396 -6.937 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.397 7.381 -5.499 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.778 8.991 -5.603 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.528 8.313 -4.139 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.842 7.913 -4.542 1.00 0.00 H new ATOM 613 N ILE A 42 -7.190 6.214 -4.204 1.00 0.00 N ATOM 614 CA ILE A 42 -6.114 6.742 -3.351 1.00 0.00 C ATOM 615 C ILE A 42 -6.600 7.687 -2.233 1.00 0.00 C ATOM 616 O ILE A 42 -6.139 7.582 -1.095 1.00 0.00 O ATOM 617 CB ILE A 42 -5.001 7.291 -4.275 1.00 0.00 C ATOM 618 CG1 ILE A 42 -3.734 7.684 -3.514 1.00 0.00 C ATOM 619 CG2 ILE A 42 -5.400 8.504 -5.120 1.00 0.00 C ATOM 620 CD1 ILE A 42 -3.287 6.618 -2.517 1.00 0.00 C ATOM 0 H ILE A 42 -7.137 6.491 -5.184 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.682 5.939 -2.754 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.816 6.445 -4.937 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.930 7.868 -4.227 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.910 8.620 -2.984 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.554 8.814 -5.733 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.238 8.238 -5.765 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.693 9.324 -4.464 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.384 6.953 -2.007 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.077 6.451 -1.784 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.081 5.688 -3.047 1.00 0.00 H new ATOM 632 N ASN A 43 -7.565 8.562 -2.511 1.00 0.00 N ATOM 633 CA ASN A 43 -8.116 9.418 -1.447 1.00 0.00 C ATOM 634 C ASN A 43 -9.141 8.688 -0.556 1.00 0.00 C ATOM 635 O ASN A 43 -9.237 8.993 0.632 1.00 0.00 O ATOM 636 CB ASN A 43 -8.744 10.655 -2.108 1.00 0.00 C ATOM 637 CG ASN A 43 -9.178 11.715 -1.094 1.00 0.00 C ATOM 638 OD1 ASN A 43 -10.318 11.737 -0.632 1.00 0.00 O ATOM 639 ND2 ASN A 43 -8.272 12.608 -0.737 1.00 0.00 N ATOM 0 H ASN A 43 -7.976 8.700 -3.434 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.304 9.708 -0.780 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.026 11.094 -2.801 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.608 10.347 -2.697 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.511 13.336 -0.064 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.333 12.569 -1.134 1.00 0.00 H new ATOM 646 N LYS A 44 -9.881 7.710 -1.079 1.00 0.00 N ATOM 647 CA LYS A 44 -10.864 6.989 -0.255 1.00 0.00 C ATOM 648 C LYS A 44 -10.215 5.939 0.656 1.00 0.00 C ATOM 649 O LYS A 44 -10.652 5.759 1.792 1.00 0.00 O ATOM 650 CB LYS A 44 -11.887 6.312 -1.173 1.00 0.00 C ATOM 651 CG LYS A 44 -12.775 7.315 -1.919 1.00 0.00 C ATOM 652 CD LYS A 44 -13.815 6.595 -2.781 1.00 0.00 C ATOM 653 CE LYS A 44 -14.719 7.599 -3.503 1.00 0.00 C ATOM 654 NZ LYS A 44 -15.697 6.892 -4.344 1.00 0.00 N ATOM 0 H LYS A 44 -9.825 7.400 -2.049 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.349 7.719 0.393 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.362 5.690 -1.898 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.516 5.648 -0.580 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.278 7.963 -1.202 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.157 7.955 -2.548 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.312 5.962 -3.512 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.421 5.939 -2.155 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.238 8.221 -2.774 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.115 8.266 -4.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.304 7.584 -4.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.196 6.317 -5.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.284 6.274 -3.749 1.00 0.00 H new ATOM 668 N LEU A 45 -9.181 5.242 0.185 1.00 0.00 N ATOM 669 CA LEU A 45 -8.495 4.255 1.039 1.00 0.00 C ATOM 670 C LEU A 45 -7.720 4.903 2.190 1.00 0.00 C ATOM 671 O LEU A 45 -7.748 4.436 3.329 1.00 0.00 O ATOM 672 CB LEU A 45 -7.462 3.551 0.152 1.00 0.00 C ATOM 673 CG LEU A 45 -6.823 2.298 0.778 1.00 0.00 C ATOM 674 CD1 LEU A 45 -7.871 1.252 1.170 1.00 0.00 C ATOM 675 CD2 LEU A 45 -5.821 1.680 -0.201 1.00 0.00 C ATOM 0 H LEU A 45 -8.802 5.333 -0.758 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.246 3.590 1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.941 3.268 -0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.672 4.260 -0.095 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.311 2.612 1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.375 0.386 1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.559 1.682 1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.426 0.943 0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.373 0.794 0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.336 1.400 -1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.040 2.406 -0.429 1.00 0.00 H new ATOM 687 N ASN A 46 -7.065 6.015 1.876 1.00 0.00 N ATOM 688 CA ASN A 46 -6.341 6.783 2.899 1.00 0.00 C ATOM 689 C ASN A 46 -7.283 7.560 3.843 1.00 0.00 C ATOM 690 O ASN A 46 -6.895 7.904 4.960 1.00 0.00 O ATOM 691 CB ASN A 46 -5.353 7.705 2.168 1.00 0.00 C ATOM 692 CG ASN A 46 -4.406 8.446 3.113 1.00 0.00 C ATOM 693 OD1 ASN A 46 -4.667 9.571 3.535 1.00 0.00 O ATOM 694 ND2 ASN A 46 -3.290 7.824 3.452 1.00 0.00 N ATOM 0 H ASN A 46 -7.016 6.406 0.935 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.801 6.101 3.556 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.765 7.113 1.466 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.912 8.433 1.581 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.623 8.277 4.077 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.096 6.891 3.089 1.00 0.00 H new ATOM 701 N ASP A 47 -8.523 7.824 3.422 1.00 0.00 N ATOM 702 CA ASP A 47 -9.512 8.443 4.320 1.00 0.00 C ATOM 703 C ASP A 47 -10.213 7.403 5.212 1.00 0.00 C ATOM 704 O ASP A 47 -10.512 7.705 6.369 1.00 0.00 O ATOM 705 CB ASP A 47 -10.542 9.235 3.496 1.00 0.00 C ATOM 706 CG ASP A 47 -10.031 10.600 3.031 1.00 0.00 C ATOM 707 OD1 ASP A 47 -8.808 10.766 2.826 1.00 0.00 O ATOM 708 OD2 ASP A 47 -10.864 11.518 2.864 1.00 0.00 O ATOM 0 H ASP A 47 -8.866 7.624 2.482 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.980 9.125 4.984 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -10.828 8.647 2.624 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.442 9.377 4.094 1.00 0.00 H new ATOM 713 N GLY A 48 -10.483 6.198 4.705 1.00 0.00 N ATOM 714 CA GLY A 48 -11.096 5.156 5.543 1.00 0.00 C ATOM 715 C GLY A 48 -12.482 4.676 5.086 1.00 0.00 C ATOM 716 O GLY A 48 -13.191 4.036 5.863 1.00 0.00 O ATOM 0 H GLY A 48 -10.294 5.920 3.742 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.425 4.298 5.575 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.179 5.534 6.562 1.00 0.00 H new ATOM 720 N SER A 49 -12.891 4.973 3.853 1.00 0.00 N ATOM 721 CA SER A 49 -14.229 4.568 3.385 1.00 0.00 C ATOM 722 C SER A 49 -14.335 3.072 3.033 1.00 0.00 C ATOM 723 O SER A 49 -15.379 2.457 3.257 1.00 0.00 O ATOM 724 CB SER A 49 -14.593 5.429 2.170 1.00 0.00 C ATOM 725 OG SER A 49 -15.921 5.152 1.750 1.00 0.00 O ATOM 0 H SER A 49 -12.333 5.482 3.167 1.00 0.00 H new ATOM 0 HA SER A 49 -14.930 4.725 4.205 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.497 6.485 2.422 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.898 5.231 1.354 1.00 0.00 H new ATOM 0 HG SER A 49 -16.142 5.709 0.975 1.00 0.00 H new ATOM 731 N ILE A 50 -13.274 2.487 2.480 1.00 0.00 N ATOM 732 CA ILE A 50 -13.371 1.141 1.893 1.00 0.00 C ATOM 733 C ILE A 50 -12.502 0.201 2.719 1.00 0.00 C ATOM 734 O ILE A 50 -11.292 0.388 2.862 1.00 0.00 O ATOM 735 CB ILE A 50 -12.852 1.107 0.444 1.00 0.00 C ATOM 736 CG1 ILE A 50 -13.253 2.370 -0.327 1.00 0.00 C ATOM 737 CG2 ILE A 50 -13.290 -0.174 -0.286 1.00 0.00 C ATOM 738 CD1 ILE A 50 -12.671 2.351 -1.730 1.00 0.00 C ATOM 0 H ILE A 50 -12.348 2.911 2.423 1.00 0.00 H new ATOM 0 HA ILE A 50 -14.420 0.844 1.893 1.00 0.00 H new ATOM 0 HB ILE A 50 -11.763 1.091 0.489 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -14.339 2.440 -0.380 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -12.902 3.254 0.206 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -12.905 -0.162 -1.306 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -12.898 -1.045 0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -14.379 -0.225 -0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.968 3.256 -2.259 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -11.584 2.305 -1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -13.043 1.478 -2.267 1.00 0.00 H new ATOM 750 N THR A 51 -13.149 -0.812 3.271 1.00 0.00 N ATOM 751 CA THR A 51 -12.409 -1.856 3.988 1.00 0.00 C ATOM 752 C THR A 51 -12.859 -3.217 3.466 1.00 0.00 C ATOM 753 O THR A 51 -14.026 -3.598 3.577 1.00 0.00 O ATOM 754 CB THR A 51 -12.623 -1.755 5.507 1.00 0.00 C ATOM 755 OG1 THR A 51 -12.116 -0.511 5.971 1.00 0.00 O ATOM 756 CG2 THR A 51 -11.898 -2.888 6.244 1.00 0.00 C ATOM 0 H THR A 51 -14.161 -0.940 3.243 1.00 0.00 H new ATOM 0 HA THR A 51 -11.342 -1.726 3.809 1.00 0.00 H new ATOM 0 HB THR A 51 -13.692 -1.833 5.707 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.252 -0.443 6.939 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.067 -2.791 7.316 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.282 -3.849 5.902 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.829 -2.830 6.039 1.00 0.00 H new ATOM 764 N LEU A 52 -11.897 -3.959 2.932 1.00 0.00 N ATOM 765 CA LEU A 52 -12.152 -5.357 2.565 1.00 0.00 C ATOM 766 C LEU A 52 -11.203 -6.262 3.367 1.00 0.00 C ATOM 767 O LEU A 52 -10.411 -5.810 4.197 1.00 0.00 O ATOM 768 CB LEU A 52 -12.001 -5.527 1.044 1.00 0.00 C ATOM 769 CG LEU A 52 -13.034 -4.710 0.251 1.00 0.00 C ATOM 770 CD1 LEU A 52 -12.696 -4.780 -1.234 1.00 0.00 C ATOM 771 CD2 LEU A 52 -14.462 -5.225 0.464 1.00 0.00 C ATOM 0 H LEU A 52 -10.950 -3.630 2.744 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.173 -5.648 2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.997 -5.223 0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.104 -6.582 0.788 1.00 0.00 H new ATOM 0 HG LEU A 52 -12.991 -3.682 0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -13.426 -4.202 -1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.700 -4.370 -1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -12.720 -5.819 -1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -15.158 -4.618 -0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -14.527 -6.263 0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -14.718 -5.161 1.522 1.00 0.00 H new ATOM 783 N GLU A 53 -11.316 -7.566 3.144 1.00 0.00 N ATOM 784 CA GLU A 53 -10.657 -8.541 4.025 1.00 0.00 C ATOM 785 C GLU A 53 -9.332 -9.042 3.430 1.00 0.00 C ATOM 786 O GLU A 53 -8.917 -8.674 2.330 1.00 0.00 O ATOM 787 CB GLU A 53 -11.627 -9.711 4.268 1.00 0.00 C ATOM 788 CG GLU A 53 -12.881 -9.290 5.042 1.00 0.00 C ATOM 789 CD GLU A 53 -13.801 -10.479 5.287 1.00 0.00 C ATOM 790 OE1 GLU A 53 -14.674 -10.752 4.435 1.00 0.00 O ATOM 791 OE2 GLU A 53 -13.656 -11.147 6.334 1.00 0.00 O ATOM 0 H GLU A 53 -11.847 -7.975 2.375 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.410 -8.058 4.971 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -11.923 -10.137 3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -11.111 -10.496 4.820 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -12.592 -8.848 5.995 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -13.416 -8.522 4.483 1.00 0.00 H new ATOM 798 N ASN A 54 -8.643 -9.852 4.227 1.00 0.00 N ATOM 799 CA ASN A 54 -7.266 -10.256 3.914 1.00 0.00 C ATOM 800 C ASN A 54 -7.313 -11.530 3.063 1.00 0.00 C ATOM 801 O ASN A 54 -7.454 -12.628 3.607 1.00 0.00 O ATOM 802 CB ASN A 54 -6.549 -10.553 5.239 1.00 0.00 C ATOM 803 CG ASN A 54 -6.076 -9.301 5.980 1.00 0.00 C ATOM 804 OD1 ASN A 54 -5.825 -8.247 5.396 1.00 0.00 O ATOM 805 ND2 ASN A 54 -5.935 -9.408 7.289 1.00 0.00 N ATOM 0 H ASN A 54 -9.010 -10.244 5.094 1.00 0.00 H new ATOM 0 HA ASN A 54 -6.741 -9.471 3.369 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -7.222 -11.115 5.887 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.689 -11.193 5.040 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.613 -8.608 7.834 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -6.148 -10.290 7.754 1.00 0.00 H new ATOM 812 N ALA A 55 -7.294 -11.400 1.734 1.00 0.00 N ATOM 813 CA ALA A 55 -7.667 -12.552 0.904 1.00 0.00 C ATOM 814 C ALA A 55 -6.798 -12.845 -0.334 1.00 0.00 C ATOM 815 O ALA A 55 -5.573 -12.735 -0.307 1.00 0.00 O ATOM 816 CB ALA A 55 -9.135 -12.304 0.559 1.00 0.00 C ATOM 0 H ALA A 55 -7.038 -10.553 1.227 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.494 -13.470 1.466 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.505 -13.118 -0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.721 -12.254 1.477 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.227 -11.362 0.018 1.00 0.00 H new ATOM 822 N LYS A 56 -7.448 -13.369 -1.375 1.00 0.00 N ATOM 823 CA LYS A 56 -6.752 -14.055 -2.482 1.00 0.00 C ATOM 824 C LYS A 56 -6.572 -13.173 -3.722 1.00 0.00 C ATOM 825 O LYS A 56 -6.676 -13.620 -4.866 1.00 0.00 O ATOM 826 CB LYS A 56 -7.585 -15.286 -2.847 1.00 0.00 C ATOM 827 CG LYS A 56 -7.529 -16.349 -1.750 1.00 0.00 C ATOM 828 CD LYS A 56 -8.664 -17.361 -1.925 1.00 0.00 C ATOM 829 CE LYS A 56 -8.597 -18.471 -0.875 1.00 0.00 C ATOM 830 NZ LYS A 56 -9.714 -19.410 -1.056 1.00 0.00 N ATOM 0 H LYS A 56 -8.462 -13.334 -1.481 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.748 -14.319 -2.149 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.620 -14.989 -3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.220 -15.709 -3.783 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.568 -16.862 -1.782 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.605 -15.875 -0.772 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.623 -16.849 -1.852 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.611 -17.799 -2.922 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.649 -19.002 -0.957 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.634 -18.038 0.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.658 -20.159 -0.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.615 -18.901 -0.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.660 -19.835 -2.004 1.00 0.00 H new ATOM 844 N TYR A 57 -6.304 -11.905 -3.476 1.00 0.00 N ATOM 845 CA TYR A 57 -6.310 -10.883 -4.534 1.00 0.00 C ATOM 846 C TYR A 57 -4.988 -10.854 -5.325 1.00 0.00 C ATOM 847 O TYR A 57 -4.606 -9.760 -5.743 1.00 0.00 O ATOM 848 CB TYR A 57 -6.609 -9.455 -4.050 1.00 0.00 C ATOM 849 CG TYR A 57 -7.727 -9.309 -3.027 1.00 0.00 C ATOM 850 CD1 TYR A 57 -8.979 -9.772 -3.297 1.00 0.00 C ATOM 851 CD2 TYR A 57 -7.489 -8.662 -1.853 1.00 0.00 C ATOM 852 CE1 TYR A 57 -9.977 -9.610 -2.388 1.00 0.00 C ATOM 853 CE2 TYR A 57 -8.489 -8.489 -0.952 1.00 0.00 C ATOM 854 CZ TYR A 57 -9.734 -8.966 -1.217 1.00 0.00 C ATOM 855 OH TYR A 57 -10.743 -8.790 -0.307 1.00 0.00 O ATOM 0 H TYR A 57 -6.076 -11.545 -2.549 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.133 -11.195 -5.176 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.696 -9.041 -3.621 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -6.858 -8.845 -4.918 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -9.179 -10.269 -4.235 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.500 -8.285 -1.638 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.965 -9.994 -2.597 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -8.296 -7.972 -0.024 1.00 0.00 H new ATOM 0 HH TYR A 57 -10.364 -8.731 0.595 1.00 0.00 H new ATOM 865 N GLU A 58 -4.191 -11.936 -5.331 1.00 0.00 N ATOM 866 CA GLU A 58 -2.733 -11.873 -5.629 1.00 0.00 C ATOM 867 C GLU A 58 -2.319 -11.350 -7.032 1.00 0.00 C ATOM 868 O GLU A 58 -1.207 -11.584 -7.506 1.00 0.00 O ATOM 869 CB GLU A 58 -2.164 -13.306 -5.542 1.00 0.00 C ATOM 870 CG GLU A 58 -2.425 -14.016 -4.210 1.00 0.00 C ATOM 871 CD GLU A 58 -1.866 -15.431 -4.245 1.00 0.00 C ATOM 872 OE1 GLU A 58 -0.632 -15.598 -4.133 1.00 0.00 O ATOM 873 OE2 GLU A 58 -2.658 -16.389 -4.387 1.00 0.00 O ATOM 0 H GLU A 58 -4.528 -12.878 -5.132 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.346 -11.160 -4.901 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.593 -13.903 -6.347 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.088 -13.267 -5.713 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.965 -13.456 -3.396 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.496 -14.046 -4.010 1.00 0.00 H new ATOM 880 N THR A 59 -3.167 -10.516 -7.612 1.00 0.00 N ATOM 881 CA THR A 59 -2.774 -9.647 -8.731 1.00 0.00 C ATOM 882 C THR A 59 -3.196 -8.228 -8.368 1.00 0.00 C ATOM 883 O THR A 59 -4.368 -7.917 -8.157 1.00 0.00 O ATOM 884 CB THR A 59 -3.339 -10.099 -10.084 1.00 0.00 C ATOM 885 OG1 THR A 59 -2.929 -9.197 -11.102 1.00 0.00 O ATOM 886 CG2 THR A 59 -4.853 -10.248 -10.126 1.00 0.00 C ATOM 0 H THR A 59 -4.142 -10.416 -7.330 1.00 0.00 H new ATOM 0 HA THR A 59 -1.694 -9.701 -8.870 1.00 0.00 H new ATOM 0 HB THR A 59 -2.933 -11.097 -10.249 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.291 -9.490 -11.964 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.159 -10.571 -11.121 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.166 -10.990 -9.392 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.319 -9.290 -9.895 1.00 0.00 H new ATOM 894 N VAL A 60 -2.182 -7.397 -8.216 1.00 0.00 N ATOM 895 CA VAL A 60 -2.355 -6.081 -7.610 1.00 0.00 C ATOM 896 C VAL A 60 -2.074 -5.083 -8.730 1.00 0.00 C ATOM 897 O VAL A 60 -0.947 -4.978 -9.211 1.00 0.00 O ATOM 898 CB VAL A 60 -1.327 -5.993 -6.477 1.00 0.00 C ATOM 899 CG1 VAL A 60 -1.129 -4.571 -5.971 1.00 0.00 C ATOM 900 CG2 VAL A 60 -1.731 -6.876 -5.306 1.00 0.00 C ATOM 0 H VAL A 60 -1.226 -7.606 -8.503 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.344 -5.887 -7.194 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.384 -6.339 -6.901 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.390 -4.570 -5.169 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.779 -3.940 -6.788 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.075 -4.184 -5.593 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.985 -6.796 -4.515 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.700 -6.554 -4.925 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.798 -7.912 -5.638 1.00 0.00 H new ATOM 910 N HIS A 61 -3.103 -4.394 -9.192 1.00 0.00 N ATOM 911 CA HIS A 61 -2.924 -3.466 -10.319 1.00 0.00 C ATOM 912 C HIS A 61 -3.095 -2.038 -9.780 1.00 0.00 C ATOM 913 O HIS A 61 -4.052 -1.781 -9.051 1.00 0.00 O ATOM 914 CB HIS A 61 -3.953 -3.855 -11.417 1.00 0.00 C ATOM 915 CG HIS A 61 -3.244 -4.638 -12.508 1.00 0.00 C ATOM 916 ND1 HIS A 61 -3.156 -6.025 -12.540 1.00 0.00 N ATOM 917 CD2 HIS A 61 -2.345 -4.063 -13.403 1.00 0.00 C ATOM 918 CE1 HIS A 61 -2.205 -6.147 -13.525 1.00 0.00 C ATOM 919 NE2 HIS A 61 -1.705 -5.036 -14.138 1.00 0.00 N ATOM 0 H HIS A 61 -4.052 -4.449 -8.823 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.935 -3.520 -10.773 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -4.755 -4.454 -10.985 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.413 -2.960 -11.835 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -3.647 -6.736 -11.998 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.174 -3.002 -13.506 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -1.853 -7.126 -13.814 1.00 0.00 H new ATOM 927 N TYR A 62 -2.225 -1.082 -10.136 1.00 0.00 N ATOM 928 CA TYR A 62 -2.528 0.324 -9.808 1.00 0.00 C ATOM 929 C TYR A 62 -2.541 1.111 -11.124 1.00 0.00 C ATOM 930 O TYR A 62 -1.743 0.888 -12.037 1.00 0.00 O ATOM 931 CB TYR A 62 -1.471 0.874 -8.819 1.00 0.00 C ATOM 932 CG TYR A 62 -1.885 1.896 -7.774 1.00 0.00 C ATOM 933 CD1 TYR A 62 -2.787 2.882 -8.028 1.00 0.00 C ATOM 934 CD2 TYR A 62 -1.204 1.896 -6.594 1.00 0.00 C ATOM 935 CE1 TYR A 62 -3.021 3.847 -7.104 1.00 0.00 C ATOM 936 CE2 TYR A 62 -1.438 2.862 -5.671 1.00 0.00 C ATOM 937 CZ TYR A 62 -2.343 3.840 -5.928 1.00 0.00 C ATOM 938 OH TYR A 62 -2.550 4.839 -5.018 1.00 0.00 O ATOM 0 H TYR A 62 -1.346 -1.240 -10.628 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.498 0.417 -9.320 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.043 0.022 -8.291 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -0.670 1.318 -9.410 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.318 2.897 -8.968 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.476 1.124 -6.393 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.747 4.621 -7.304 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -0.904 2.853 -4.732 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.790 5.665 -5.488 1.00 0.00 H new ATOM 948 N LEU A 63 -3.476 2.048 -11.192 1.00 0.00 N ATOM 949 CA LEU A 63 -3.769 2.749 -12.432 1.00 0.00 C ATOM 950 C LEU A 63 -3.607 4.247 -12.156 1.00 0.00 C ATOM 951 O LEU A 63 -4.517 4.892 -11.631 1.00 0.00 O ATOM 952 CB LEU A 63 -5.198 2.325 -12.792 1.00 0.00 C ATOM 953 CG LEU A 63 -5.645 2.766 -14.172 1.00 0.00 C ATOM 954 CD1 LEU A 63 -4.889 1.925 -15.200 1.00 0.00 C ATOM 955 CD2 LEU A 63 -7.146 2.499 -14.216 1.00 0.00 C ATOM 0 H LEU A 63 -4.046 2.341 -10.399 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.112 2.518 -13.271 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.270 1.239 -12.728 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.885 2.735 -12.051 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.444 3.815 -14.388 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.191 2.221 -16.205 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.817 2.083 -15.082 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.119 0.871 -15.048 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.540 2.795 -15.188 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.331 1.437 -14.057 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.641 3.074 -13.434 1.00 0.00 H new ATOM 967 N THR A 64 -2.430 4.791 -12.436 1.00 0.00 N ATOM 968 CA THR A 64 -2.113 6.162 -12.005 1.00 0.00 C ATOM 969 C THR A 64 -1.332 6.811 -13.173 1.00 0.00 C ATOM 970 O THR A 64 -0.634 6.103 -13.903 1.00 0.00 O ATOM 971 CB THR A 64 -1.275 6.069 -10.712 1.00 0.00 C ATOM 972 OG1 THR A 64 -1.919 5.208 -9.785 1.00 0.00 O ATOM 973 CG2 THR A 64 -1.069 7.410 -10.005 1.00 0.00 C ATOM 0 H THR A 64 -1.685 4.321 -12.950 1.00 0.00 H new ATOM 0 HA THR A 64 -2.992 6.767 -11.783 1.00 0.00 H new ATOM 0 HB THR A 64 -0.300 5.695 -11.026 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.538 4.308 -9.855 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.471 7.259 -9.106 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.552 8.098 -10.674 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.037 7.829 -9.731 1.00 0.00 H new ATOM 981 N PRO A 65 -1.328 8.140 -13.339 1.00 0.00 N ATOM 982 CA PRO A 65 -0.442 8.822 -14.297 1.00 0.00 C ATOM 983 C PRO A 65 1.036 8.420 -14.201 1.00 0.00 C ATOM 984 O PRO A 65 1.557 8.080 -13.137 1.00 0.00 O ATOM 985 CB PRO A 65 -0.677 10.307 -13.991 1.00 0.00 C ATOM 986 CG PRO A 65 -1.504 10.361 -12.703 1.00 0.00 C ATOM 987 CD PRO A 65 -2.254 9.033 -12.652 1.00 0.00 C ATOM 0 HA PRO A 65 -0.677 8.548 -15.326 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.270 10.832 -13.866 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.205 10.793 -14.811 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.864 10.485 -11.829 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.196 11.203 -12.714 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.448 8.712 -11.628 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.219 9.089 -13.157 1.00 0.00 H new ATOM 995 N GLU A 66 1.683 8.399 -15.363 1.00 0.00 N ATOM 996 CA GLU A 66 3.002 7.757 -15.485 1.00 0.00 C ATOM 997 C GLU A 66 4.205 8.679 -15.216 1.00 0.00 C ATOM 998 O GLU A 66 5.291 8.174 -14.929 1.00 0.00 O ATOM 999 CB GLU A 66 3.074 7.163 -16.901 1.00 0.00 C ATOM 1000 CG GLU A 66 4.274 6.232 -17.110 1.00 0.00 C ATOM 1001 CD GLU A 66 4.259 5.619 -18.504 1.00 0.00 C ATOM 1002 OE1 GLU A 66 4.825 6.228 -19.437 1.00 0.00 O ATOM 1003 OE2 GLU A 66 3.678 4.526 -18.676 1.00 0.00 O ATOM 0 H GLU A 66 1.328 8.811 -16.226 1.00 0.00 H new ATOM 0 HA GLU A 66 3.081 6.997 -14.708 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.156 6.611 -17.103 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.123 7.976 -17.626 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.200 6.789 -16.965 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.258 5.440 -16.361 1.00 0.00 H new ATOM 1010 N ALA A 67 4.043 10.003 -15.235 1.00 0.00 N ATOM 1011 CA ALA A 67 5.136 10.874 -14.771 1.00 0.00 C ATOM 1012 C ALA A 67 4.898 11.359 -13.334 1.00 0.00 C ATOM 1013 O ALA A 67 3.903 11.020 -12.690 1.00 0.00 O ATOM 1014 CB ALA A 67 5.214 12.059 -15.744 1.00 0.00 C ATOM 0 H ALA A 67 3.203 10.486 -15.552 1.00 0.00 H new ATOM 0 HA ALA A 67 6.076 10.323 -14.757 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.014 12.731 -15.435 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.417 11.691 -16.750 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.266 12.597 -15.739 1.00 0.00 H new ATOM 1020 N GLN A 68 5.854 12.129 -12.821 1.00 0.00 N ATOM 1021 CA GLN A 68 5.850 12.476 -11.393 1.00 0.00 C ATOM 1022 C GLN A 68 5.580 13.969 -11.186 1.00 0.00 C ATOM 1023 O GLN A 68 6.005 14.822 -11.968 1.00 0.00 O ATOM 1024 CB GLN A 68 7.208 12.108 -10.769 1.00 0.00 C ATOM 1025 CG GLN A 68 7.518 10.604 -10.783 1.00 0.00 C ATOM 1026 CD GLN A 68 6.545 9.790 -9.935 1.00 0.00 C ATOM 1027 OE1 GLN A 68 5.543 9.267 -10.424 1.00 0.00 O ATOM 1028 NE2 GLN A 68 6.826 9.665 -8.649 1.00 0.00 N ATOM 0 H GLN A 68 6.629 12.521 -13.356 1.00 0.00 H new ATOM 0 HA GLN A 68 5.052 11.913 -10.908 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.997 12.636 -11.305 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.230 12.463 -9.739 1.00 0.00 H new ATOM 0 HG2 GLN A 68 7.488 10.241 -11.810 1.00 0.00 H new ATOM 0 HG3 GLN A 68 8.532 10.444 -10.418 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.661 10.106 -8.264 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.208 9.127 -8.042 1.00 0.00 H new ATOM 1037 N THR A 69 4.957 14.277 -10.055 1.00 0.00 N ATOM 1038 CA THR A 69 4.924 15.663 -9.554 1.00 0.00 C ATOM 1039 C THR A 69 5.479 15.629 -8.123 1.00 0.00 C ATOM 1040 O THR A 69 6.503 16.247 -7.829 1.00 0.00 O ATOM 1041 CB THR A 69 3.520 16.289 -9.647 1.00 0.00 C ATOM 1042 OG1 THR A 69 2.557 15.461 -9.008 1.00 0.00 O ATOM 1043 CG2 THR A 69 3.092 16.513 -11.098 1.00 0.00 C ATOM 0 H THR A 69 4.470 13.601 -9.467 1.00 0.00 H new ATOM 0 HA THR A 69 5.541 16.312 -10.175 1.00 0.00 H new ATOM 0 HB THR A 69 3.572 17.255 -9.144 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.672 15.876 -9.076 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.096 16.956 -11.119 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.798 17.184 -11.586 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.076 15.558 -11.624 1.00 0.00 H new ATOM 1051 N ASP A 70 4.769 14.955 -7.218 1.00 0.00 N ATOM 1052 CA ASP A 70 5.086 15.023 -5.783 1.00 0.00 C ATOM 1053 C ASP A 70 5.036 13.590 -5.225 1.00 0.00 C ATOM 1054 O ASP A 70 4.787 12.628 -5.957 1.00 0.00 O ATOM 1055 CB ASP A 70 4.104 15.949 -5.042 1.00 0.00 C ATOM 1056 CG ASP A 70 4.173 17.398 -5.517 1.00 0.00 C ATOM 1057 OD1 ASP A 70 5.106 18.123 -5.109 1.00 0.00 O ATOM 1058 OD2 ASP A 70 3.293 17.818 -6.301 1.00 0.00 O ATOM 0 H ASP A 70 3.974 14.358 -7.447 1.00 0.00 H new ATOM 0 HA ASP A 70 6.080 15.445 -5.635 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.089 15.576 -5.179 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.316 15.913 -3.973 1.00 0.00 H new ATOM 1063 N ILE A 71 5.317 13.422 -3.934 1.00 0.00 N ATOM 1064 CA ILE A 71 5.494 12.062 -3.389 1.00 0.00 C ATOM 1065 C ILE A 71 4.121 11.545 -2.934 1.00 0.00 C ATOM 1066 O ILE A 71 3.671 11.767 -1.809 1.00 0.00 O ATOM 1067 CB ILE A 71 6.569 12.001 -2.282 1.00 0.00 C ATOM 1068 CG1 ILE A 71 6.366 13.041 -1.163 1.00 0.00 C ATOM 1069 CG2 ILE A 71 7.959 12.160 -2.917 1.00 0.00 C ATOM 1070 CD1 ILE A 71 7.296 12.817 0.032 1.00 0.00 C ATOM 0 H ILE A 71 5.426 14.178 -3.258 1.00 0.00 H new ATOM 0 HA ILE A 71 5.878 11.403 -4.167 1.00 0.00 H new ATOM 0 HB ILE A 71 6.477 11.027 -1.801 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.535 14.039 -1.566 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.331 13.005 -0.824 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.721 12.118 -2.139 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.126 11.355 -3.633 1.00 0.00 H new ATOM 0 HG23 ILE A 71 8.017 13.120 -3.430 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.107 13.579 0.788 1.00 0.00 H new ATOM 0 HD12 ILE A 71 7.111 11.831 0.457 1.00 0.00 H new ATOM 0 HD13 ILE A 71 8.333 12.881 -0.297 1.00 0.00 H new ATOM 1082 N LYS A 72 3.431 10.879 -3.857 1.00 0.00 N ATOM 1083 CA LYS A 72 1.998 10.580 -3.619 1.00 0.00 C ATOM 1084 C LYS A 72 1.747 9.367 -2.692 1.00 0.00 C ATOM 1085 O LYS A 72 1.201 9.584 -1.607 1.00 0.00 O ATOM 1086 CB LYS A 72 1.218 10.511 -4.949 1.00 0.00 C ATOM 1087 CG LYS A 72 1.152 11.865 -5.665 1.00 0.00 C ATOM 1088 CD LYS A 72 0.524 11.727 -7.055 1.00 0.00 C ATOM 1089 CE LYS A 72 0.522 13.068 -7.790 1.00 0.00 C ATOM 1090 NZ LYS A 72 -0.025 12.910 -9.146 1.00 0.00 N ATOM 0 H LYS A 72 3.808 10.543 -4.743 1.00 0.00 H new ATOM 0 HA LYS A 72 1.598 11.420 -3.052 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.690 9.780 -5.605 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.205 10.158 -4.754 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.570 12.567 -5.068 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.156 12.280 -5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.078 10.990 -7.637 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.497 11.358 -6.962 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.072 13.794 -7.234 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.537 13.461 -7.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.667 13.254 -9.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.226 11.905 -9.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.904 13.459 -9.232 1.00 0.00 H new ATOM 1104 N PHE A 73 2.067 8.112 -3.035 1.00 0.00 N ATOM 1105 CA PHE A 73 1.592 6.996 -2.184 1.00 0.00 C ATOM 1106 C PHE A 73 2.438 6.881 -0.907 1.00 0.00 C ATOM 1107 O PHE A 73 3.658 7.052 -0.955 1.00 0.00 O ATOM 1108 CB PHE A 73 1.736 5.682 -2.998 1.00 0.00 C ATOM 1109 CG PHE A 73 0.951 4.453 -2.559 1.00 0.00 C ATOM 1110 CD1 PHE A 73 -0.282 4.543 -1.992 1.00 0.00 C ATOM 1111 CD2 PHE A 73 1.458 3.225 -2.861 1.00 0.00 C ATOM 1112 CE1 PHE A 73 -0.985 3.421 -1.697 1.00 0.00 C ATOM 1113 CE2 PHE A 73 0.738 2.106 -2.599 1.00 0.00 C ATOM 1114 CZ PHE A 73 -0.459 2.206 -1.976 1.00 0.00 C ATOM 0 H PHE A 73 2.622 7.845 -3.848 1.00 0.00 H new ATOM 0 HA PHE A 73 0.556 7.177 -1.897 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.456 5.901 -4.028 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.792 5.413 -3.005 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.704 5.513 -1.775 1.00 0.00 H new ATOM 0 HD2 PHE A 73 2.437 3.142 -3.311 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -1.961 3.497 -1.241 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.119 1.137 -2.887 1.00 0.00 H new ATOM 0 HZ PHE A 73 -0.997 1.311 -1.700 1.00 0.00 H new ATOM 1124 N PRO A 74 1.851 6.437 0.212 1.00 0.00 N ATOM 1125 CA PRO A 74 2.624 6.113 1.410 1.00 0.00 C ATOM 1126 C PRO A 74 3.226 4.704 1.349 1.00 0.00 C ATOM 1127 O PRO A 74 2.659 3.792 0.745 1.00 0.00 O ATOM 1128 CB PRO A 74 1.595 6.259 2.532 1.00 0.00 C ATOM 1129 CG PRO A 74 0.415 7.019 1.943 1.00 0.00 C ATOM 1130 CD PRO A 74 0.418 6.618 0.480 1.00 0.00 C ATOM 0 HA PRO A 74 3.492 6.759 1.545 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.282 5.282 2.900 1.00 0.00 H new ATOM 0 HB3 PRO A 74 2.019 6.798 3.379 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.521 6.745 2.431 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.533 8.096 2.063 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.148 5.702 0.307 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.021 7.388 -0.154 1.00 0.00 H new ATOM 1138 N LYS A 75 4.351 4.509 2.029 1.00 0.00 N ATOM 1139 CA LYS A 75 4.844 3.136 2.269 1.00 0.00 C ATOM 1140 C LYS A 75 3.886 2.261 3.115 1.00 0.00 C ATOM 1141 O LYS A 75 3.790 1.045 2.916 1.00 0.00 O ATOM 1142 CB LYS A 75 6.259 3.185 2.876 1.00 0.00 C ATOM 1143 CG LYS A 75 6.338 3.845 4.258 1.00 0.00 C ATOM 1144 CD LYS A 75 7.784 3.876 4.768 1.00 0.00 C ATOM 1145 CE LYS A 75 7.910 4.555 6.136 1.00 0.00 C ATOM 1146 NZ LYS A 75 7.240 3.775 7.189 1.00 0.00 N ATOM 0 H LYS A 75 4.931 5.252 2.418 1.00 0.00 H new ATOM 0 HA LYS A 75 4.886 2.642 1.298 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.643 2.168 2.951 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.915 3.724 2.192 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.946 4.860 4.203 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.711 3.299 4.963 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.164 2.857 4.836 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.409 4.402 4.046 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.964 4.677 6.387 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.475 5.554 6.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.430 4.208 8.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.215 3.766 7.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.601 2.800 7.182 1.00 0.00 H new ATOM 1160 N LYS A 76 3.182 2.870 4.072 1.00 0.00 N ATOM 1161 CA LYS A 76 2.280 2.113 4.961 1.00 0.00 C ATOM 1162 C LYS A 76 1.126 1.414 4.219 1.00 0.00 C ATOM 1163 O LYS A 76 0.729 0.312 4.596 1.00 0.00 O ATOM 1164 CB LYS A 76 1.743 3.084 6.024 1.00 0.00 C ATOM 1165 CG LYS A 76 0.955 2.376 7.132 1.00 0.00 C ATOM 1166 CD LYS A 76 0.462 3.374 8.183 1.00 0.00 C ATOM 1167 CE LYS A 76 -0.336 2.666 9.280 1.00 0.00 C ATOM 1168 NZ LYS A 76 -0.807 3.641 10.276 1.00 0.00 N ATOM 0 H LYS A 76 3.214 3.873 4.255 1.00 0.00 H new ATOM 0 HA LYS A 76 2.850 1.305 5.420 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.577 3.627 6.468 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.102 3.823 5.544 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.104 1.850 6.698 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.585 1.625 7.607 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.313 3.893 8.625 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.161 4.131 7.707 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.186 2.144 8.842 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.286 1.913 9.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.347 3.148 11.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.010 4.121 10.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.417 4.344 9.812 1.00 0.00 H new ATOM 1182 N LEU A 77 0.604 2.020 3.152 1.00 0.00 N ATOM 1183 CA LEU A 77 -0.494 1.367 2.408 1.00 0.00 C ATOM 1184 C LEU A 77 0.051 0.228 1.520 1.00 0.00 C ATOM 1185 O LEU A 77 -0.639 -0.772 1.340 1.00 0.00 O ATOM 1186 CB LEU A 77 -1.358 2.316 1.552 1.00 0.00 C ATOM 1187 CG LEU A 77 -2.310 3.241 2.321 1.00 0.00 C ATOM 1188 CD1 LEU A 77 -1.591 4.118 3.344 1.00 0.00 C ATOM 1189 CD2 LEU A 77 -3.076 4.148 1.353 1.00 0.00 C ATOM 0 H LEU A 77 0.902 2.925 2.788 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.154 0.974 3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.693 2.934 0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.948 1.713 0.862 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.996 2.587 2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.317 4.750 3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.083 3.486 4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.859 4.745 2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.746 4.797 1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.370 4.757 0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.658 3.536 0.664 1.00 0.00 H new ATOM 1201 N ILE A 78 1.291 0.312 1.024 1.00 0.00 N ATOM 1202 CA ILE A 78 1.952 -0.847 0.411 1.00 0.00 C ATOM 1203 C ILE A 78 2.071 -2.021 1.418 1.00 0.00 C ATOM 1204 O ILE A 78 1.833 -3.172 1.042 1.00 0.00 O ATOM 1205 CB ILE A 78 3.312 -0.325 -0.105 1.00 0.00 C ATOM 1206 CG1 ILE A 78 3.215 0.706 -1.234 1.00 0.00 C ATOM 1207 CG2 ILE A 78 4.219 -1.480 -0.509 1.00 0.00 C ATOM 1208 CD1 ILE A 78 4.556 1.353 -1.596 1.00 0.00 C ATOM 0 H ILE A 78 1.853 1.163 1.034 1.00 0.00 H new ATOM 0 HA ILE A 78 1.380 -1.265 -0.417 1.00 0.00 H new ATOM 0 HB ILE A 78 3.751 0.209 0.738 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.804 0.223 -2.120 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.513 1.486 -0.942 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.170 -1.087 -0.869 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.395 -2.123 0.353 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.742 -2.057 -1.301 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.408 2.071 -2.402 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.960 1.866 -0.723 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.256 0.583 -1.920 1.00 0.00 H new ATOM 1220 N SER A 79 2.404 -1.766 2.693 1.00 0.00 N ATOM 1221 CA SER A 79 2.439 -2.859 3.683 1.00 0.00 C ATOM 1222 C SER A 79 1.052 -3.482 3.935 1.00 0.00 C ATOM 1223 O SER A 79 0.930 -4.700 4.047 1.00 0.00 O ATOM 1224 CB SER A 79 3.039 -2.323 4.987 1.00 0.00 C ATOM 1225 OG SER A 79 3.196 -3.380 5.924 1.00 0.00 O ATOM 0 H SER A 79 2.646 -0.844 3.057 1.00 0.00 H new ATOM 0 HA SER A 79 3.060 -3.660 3.282 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.004 -1.857 4.788 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.392 -1.551 5.403 1.00 0.00 H new ATOM 0 HG SER A 79 3.581 -3.028 6.753 1.00 0.00 H new ATOM 1231 N VAL A 80 0.010 -2.655 4.003 1.00 0.00 N ATOM 1232 CA VAL A 80 -1.370 -3.169 4.130 1.00 0.00 C ATOM 1233 C VAL A 80 -1.799 -3.984 2.891 1.00 0.00 C ATOM 1234 O VAL A 80 -2.488 -4.997 3.034 1.00 0.00 O ATOM 1235 CB VAL A 80 -2.346 -2.008 4.416 1.00 0.00 C ATOM 1236 CG1 VAL A 80 -3.802 -2.484 4.501 1.00 0.00 C ATOM 1237 CG2 VAL A 80 -2.009 -1.312 5.742 1.00 0.00 C ATOM 0 H VAL A 80 0.083 -1.638 3.974 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.398 -3.857 4.975 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.236 -1.316 3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.452 -1.633 4.704 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.090 -2.944 3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.900 -3.214 5.304 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.714 -0.499 5.916 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.077 -2.031 6.558 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.997 -0.911 5.695 1.00 0.00 H new ATOM 1247 N LEU A 81 -1.391 -3.583 1.683 1.00 0.00 N ATOM 1248 CA LEU A 81 -1.634 -4.410 0.489 1.00 0.00 C ATOM 1249 C LEU A 81 -0.977 -5.799 0.594 1.00 0.00 C ATOM 1250 O LEU A 81 -1.600 -6.802 0.241 1.00 0.00 O ATOM 1251 CB LEU A 81 -1.113 -3.689 -0.770 1.00 0.00 C ATOM 1252 CG LEU A 81 -2.134 -2.852 -1.561 1.00 0.00 C ATOM 1253 CD1 LEU A 81 -3.369 -3.665 -1.947 1.00 0.00 C ATOM 1254 CD2 LEU A 81 -2.545 -1.575 -0.829 1.00 0.00 C ATOM 0 H LEU A 81 -0.899 -2.708 1.503 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.712 -4.558 0.417 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.294 -3.034 -0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.694 -4.438 -1.442 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.622 -2.555 -2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.061 -3.033 -2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.069 -4.509 -2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.859 -4.033 -1.045 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.266 -1.025 -1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.997 -1.834 0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.666 -0.954 -0.659 1.00 0.00 H new ATOM 1266 N ALA A 82 0.259 -5.877 1.086 1.00 0.00 N ATOM 1267 CA ALA A 82 0.891 -7.183 1.335 1.00 0.00 C ATOM 1268 C ALA A 82 0.192 -8.021 2.420 1.00 0.00 C ATOM 1269 O ALA A 82 0.247 -9.252 2.381 1.00 0.00 O ATOM 1270 CB ALA A 82 2.337 -6.899 1.749 1.00 0.00 C ATOM 0 H ALA A 82 0.838 -5.070 1.318 1.00 0.00 H new ATOM 0 HA ALA A 82 0.822 -7.779 0.425 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.851 -7.840 1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.848 -6.368 0.946 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.344 -6.287 2.651 1.00 0.00 H new ATOM 1276 N ASP A 83 -0.437 -7.374 3.400 1.00 0.00 N ATOM 1277 CA ASP A 83 -1.078 -8.118 4.507 1.00 0.00 C ATOM 1278 C ASP A 83 -2.412 -8.798 4.159 1.00 0.00 C ATOM 1279 O ASP A 83 -2.924 -9.618 4.925 1.00 0.00 O ATOM 1280 CB ASP A 83 -1.269 -7.200 5.726 1.00 0.00 C ATOM 1281 CG ASP A 83 0.043 -6.704 6.331 1.00 0.00 C ATOM 1282 OD1 ASP A 83 0.987 -7.510 6.485 1.00 0.00 O ATOM 1283 OD2 ASP A 83 0.130 -5.502 6.666 1.00 0.00 O ATOM 0 H ASP A 83 -0.521 -6.359 3.460 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.387 -8.931 4.732 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.871 -6.340 5.432 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -1.831 -7.737 6.490 1.00 0.00 H new ATOM 1288 N SER A 84 -2.954 -8.492 2.993 1.00 0.00 N ATOM 1289 CA SER A 84 -4.092 -9.241 2.450 1.00 0.00 C ATOM 1290 C SER A 84 -3.685 -10.614 1.908 1.00 0.00 C ATOM 1291 O SER A 84 -4.427 -11.587 2.037 1.00 0.00 O ATOM 1292 CB SER A 84 -4.686 -8.387 1.328 1.00 0.00 C ATOM 1293 OG SER A 84 -5.252 -7.195 1.860 1.00 0.00 O ATOM 0 H SER A 84 -2.629 -7.730 2.397 1.00 0.00 H new ATOM 0 HA SER A 84 -4.815 -9.431 3.243 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.911 -8.137 0.603 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.450 -8.954 0.796 1.00 0.00 H new ATOM 0 HG SER A 84 -5.627 -6.657 1.131 1.00 0.00 H new ATOM 1299 N LEU A 85 -2.543 -10.689 1.240 1.00 0.00 N ATOM 1300 CA LEU A 85 -2.359 -11.748 0.249 1.00 0.00 C ATOM 1301 C LEU A 85 -1.729 -13.021 0.822 1.00 0.00 C ATOM 1302 O LEU A 85 -1.056 -13.029 1.853 1.00 0.00 O ATOM 1303 CB LEU A 85 -1.462 -11.159 -0.859 1.00 0.00 C ATOM 1304 CG LEU A 85 -1.985 -9.863 -1.500 1.00 0.00 C ATOM 1305 CD1 LEU A 85 -0.989 -9.366 -2.549 1.00 0.00 C ATOM 1306 CD2 LEU A 85 -3.359 -10.059 -2.145 1.00 0.00 C ATOM 0 H LEU A 85 -1.753 -10.055 1.356 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.334 -12.057 -0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.474 -10.967 -0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.337 -11.908 -1.641 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.092 -9.122 -0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.364 -8.447 -3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.028 -9.171 -2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.865 -10.125 -3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.691 -9.119 -2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.291 -10.820 -2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.075 -10.377 -1.387 1.00 0.00 H new ATOM 1318 N LYS A 86 -1.875 -14.062 0.011 1.00 0.00 N ATOM 1319 CA LYS A 86 -1.086 -15.298 0.113 1.00 0.00 C ATOM 1320 C LYS A 86 0.306 -14.941 -0.438 1.00 0.00 C ATOM 1321 O LYS A 86 0.367 -14.612 -1.623 1.00 0.00 O ATOM 1322 CB LYS A 86 -1.715 -16.431 -0.706 1.00 0.00 C ATOM 1323 CG LYS A 86 -2.979 -16.994 -0.052 1.00 0.00 C ATOM 1324 CD LYS A 86 -3.494 -18.211 -0.823 1.00 0.00 C ATOM 1325 CE LYS A 86 -4.692 -18.852 -0.119 1.00 0.00 C ATOM 1326 NZ LYS A 86 -5.133 -20.044 -0.859 1.00 0.00 N ATOM 0 H LYS A 86 -2.554 -14.078 -0.750 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.040 -15.655 1.142 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.958 -16.063 -1.703 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.987 -17.232 -0.831 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.766 -17.275 0.979 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.751 -16.225 -0.020 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.780 -17.911 -1.831 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.694 -18.945 -0.924 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.421 -19.127 0.900 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.510 -18.134 -0.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.947 -20.473 -0.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.410 -19.771 -1.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.355 -20.732 -0.904 1.00 0.00 H new ATOM 1340 N PRO A 87 1.332 -14.702 0.397 1.00 0.00 N ATOM 1341 CA PRO A 87 2.492 -13.855 0.052 1.00 0.00 C ATOM 1342 C PRO A 87 3.303 -14.059 -1.249 1.00 0.00 C ATOM 1343 O PRO A 87 4.256 -13.315 -1.474 1.00 0.00 O ATOM 1344 CB PRO A 87 3.437 -14.189 1.203 1.00 0.00 C ATOM 1345 CG PRO A 87 2.540 -14.430 2.409 1.00 0.00 C ATOM 1346 CD PRO A 87 1.280 -15.058 1.820 1.00 0.00 C ATOM 0 HA PRO A 87 2.102 -12.850 -0.107 1.00 0.00 H new ATOM 0 HB2 PRO A 87 4.035 -15.072 0.976 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.133 -13.371 1.389 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.015 -15.093 3.132 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.315 -13.499 2.930 1.00 0.00 H new ATOM 0 HD2 PRO A 87 1.271 -16.139 1.960 1.00 0.00 H new ATOM 0 HD3 PRO A 87 0.380 -14.667 2.296 1.00 0.00 H new ATOM 1354 N ASN A 88 2.889 -14.937 -2.156 1.00 0.00 N ATOM 1355 CA ASN A 88 3.406 -14.901 -3.548 1.00 0.00 C ATOM 1356 C ASN A 88 2.430 -14.085 -4.412 1.00 0.00 C ATOM 1357 O ASN A 88 1.904 -14.530 -5.435 1.00 0.00 O ATOM 1358 CB ASN A 88 3.701 -16.319 -4.075 1.00 0.00 C ATOM 1359 CG ASN A 88 4.754 -16.988 -3.196 1.00 0.00 C ATOM 1360 OD1 ASN A 88 4.530 -18.031 -2.583 1.00 0.00 O ATOM 1361 ND2 ASN A 88 5.900 -16.339 -3.075 1.00 0.00 N ATOM 0 H ASN A 88 2.210 -15.675 -1.972 1.00 0.00 H new ATOM 0 HA ASN A 88 4.371 -14.396 -3.589 1.00 0.00 H new ATOM 0 HB2 ASN A 88 2.787 -16.913 -4.079 1.00 0.00 H new ATOM 0 HB3 ASN A 88 4.053 -16.268 -5.105 1.00 0.00 H new ATOM 0 HD21 ASN A 88 6.629 -16.701 -2.460 1.00 0.00 H new ATOM 0 HD22 ASN A 88 6.055 -15.477 -3.597 1.00 0.00 H new ATOM 1368 N GLY A 89 2.244 -12.845 -3.970 1.00 0.00 N ATOM 1369 CA GLY A 89 1.479 -11.843 -4.719 1.00 0.00 C ATOM 1370 C GLY A 89 2.387 -11.120 -5.708 1.00 0.00 C ATOM 1371 O GLY A 89 3.608 -11.246 -5.652 1.00 0.00 O ATOM 0 H GLY A 89 2.617 -12.503 -3.084 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.659 -12.324 -5.252 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.034 -11.125 -4.030 1.00 0.00 H new ATOM 1375 N SER A 90 1.810 -10.367 -6.635 1.00 0.00 N ATOM 1376 CA SER A 90 2.617 -9.755 -7.695 1.00 0.00 C ATOM 1377 C SER A 90 1.944 -8.408 -7.997 1.00 0.00 C ATOM 1378 O SER A 90 0.767 -8.300 -8.338 1.00 0.00 O ATOM 1379 CB SER A 90 2.690 -10.664 -8.916 1.00 0.00 C ATOM 1380 OG SER A 90 3.329 -10.000 -9.999 1.00 0.00 O ATOM 0 H SER A 90 0.811 -10.165 -6.680 1.00 0.00 H new ATOM 0 HA SER A 90 3.653 -9.604 -7.392 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.237 -11.573 -8.667 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.685 -10.967 -9.211 1.00 0.00 H new ATOM 0 HG SER A 90 3.368 -10.600 -10.773 1.00 0.00 H new ATOM 1386 N LEU A 91 2.745 -7.386 -7.794 1.00 0.00 N ATOM 1387 CA LEU A 91 2.347 -5.998 -7.871 1.00 0.00 C ATOM 1388 C LEU A 91 2.617 -5.510 -9.294 1.00 0.00 C ATOM 1389 O LEU A 91 3.741 -5.652 -9.775 1.00 0.00 O ATOM 1390 CB LEU A 91 3.352 -5.294 -6.935 1.00 0.00 C ATOM 1391 CG LEU A 91 2.916 -3.858 -6.677 1.00 0.00 C ATOM 1392 CD1 LEU A 91 2.517 -3.637 -5.216 1.00 0.00 C ATOM 1393 CD2 LEU A 91 4.040 -2.905 -7.078 1.00 0.00 C ATOM 0 H LEU A 91 3.731 -7.504 -7.561 1.00 0.00 H new ATOM 0 HA LEU A 91 1.302 -5.823 -7.614 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.422 -5.835 -5.992 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.346 -5.305 -7.383 1.00 0.00 H new ATOM 0 HG LEU A 91 2.033 -3.656 -7.283 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.213 -2.600 -5.075 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.687 -4.296 -4.962 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.367 -3.857 -4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.728 -1.877 -6.894 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.931 -3.125 -6.490 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.264 -3.032 -8.137 1.00 0.00 H new ATOM 1405 N ILE A 92 1.648 -4.880 -9.948 1.00 0.00 N ATOM 1406 CA ILE A 92 1.925 -4.211 -11.228 1.00 0.00 C ATOM 1407 C ILE A 92 1.748 -2.719 -11.031 1.00 0.00 C ATOM 1408 O ILE A 92 0.655 -2.169 -11.175 1.00 0.00 O ATOM 1409 CB ILE A 92 1.017 -4.724 -12.339 1.00 0.00 C ATOM 1410 CG1 ILE A 92 1.196 -6.227 -12.583 1.00 0.00 C ATOM 1411 CG2 ILE A 92 1.258 -3.960 -13.654 1.00 0.00 C ATOM 1412 CD1 ILE A 92 2.679 -6.561 -12.693 1.00 0.00 C ATOM 0 H ILE A 92 0.682 -4.814 -9.628 1.00 0.00 H new ATOM 0 HA ILE A 92 2.947 -4.430 -11.536 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.006 -4.550 -12.005 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.746 -6.793 -11.767 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.679 -6.520 -13.497 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.596 -4.349 -14.427 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.055 -2.900 -13.501 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.295 -4.090 -13.965 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.799 -7.630 -12.866 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.116 -6.007 -13.524 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.184 -6.284 -11.767 1.00 0.00 H new ATOM 1424 N GLY A 93 2.829 -2.098 -10.597 1.00 0.00 N ATOM 1425 CA GLY A 93 2.691 -0.710 -10.158 1.00 0.00 C ATOM 1426 C GLY A 93 3.772 0.332 -10.396 1.00 0.00 C ATOM 1427 O GLY A 93 3.625 1.237 -11.220 1.00 0.00 O ATOM 0 H GLY A 93 3.765 -2.498 -10.537 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.781 -0.326 -10.618 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.517 -0.739 -9.082 1.00 0.00 H new ATOM 1431 N LEU A 94 4.777 0.316 -9.540 1.00 0.00 N ATOM 1432 CA LEU A 94 5.227 1.576 -8.919 1.00 0.00 C ATOM 1433 C LEU A 94 6.667 1.907 -9.346 1.00 0.00 C ATOM 1434 O LEU A 94 7.485 1.043 -9.664 1.00 0.00 O ATOM 1435 CB LEU A 94 5.237 1.420 -7.386 1.00 0.00 C ATOM 1436 CG LEU A 94 3.903 1.310 -6.616 1.00 0.00 C ATOM 1437 CD1 LEU A 94 4.079 0.368 -5.422 1.00 0.00 C ATOM 1438 CD2 LEU A 94 3.506 2.650 -6.018 1.00 0.00 C ATOM 0 H LEU A 94 5.291 -0.518 -9.257 1.00 0.00 H new ATOM 0 HA LEU A 94 4.546 2.366 -9.235 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.821 0.529 -7.154 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.779 2.272 -6.976 1.00 0.00 H new ATOM 0 HG LEU A 94 3.152 0.957 -7.322 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.138 0.290 -4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.375 -0.619 -5.778 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.850 0.761 -4.759 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.563 2.544 -5.481 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.281 2.984 -5.328 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.389 3.384 -6.815 1.00 0.00 H new ATOM 1450 N SER A 95 6.904 3.210 -9.457 1.00 0.00 N ATOM 1451 CA SER A 95 8.105 3.727 -10.161 1.00 0.00 C ATOM 1452 C SER A 95 9.320 3.930 -9.230 1.00 0.00 C ATOM 1453 O SER A 95 9.282 3.558 -8.062 1.00 0.00 O ATOM 1454 CB SER A 95 7.757 5.009 -10.937 1.00 0.00 C ATOM 1455 OG SER A 95 8.765 5.291 -11.898 1.00 0.00 O ATOM 0 H SER A 95 6.294 3.934 -9.077 1.00 0.00 H new ATOM 0 HA SER A 95 8.413 2.961 -10.872 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.794 4.892 -11.434 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.659 5.846 -10.246 1.00 0.00 H new ATOM 0 HG SER A 95 8.532 6.108 -12.387 1.00 0.00 H new ATOM 1461 N ASP A 96 10.453 4.383 -9.778 1.00 0.00 N ATOM 1462 CA ASP A 96 11.739 4.225 -9.064 1.00 0.00 C ATOM 1463 C ASP A 96 12.135 5.217 -7.937 1.00 0.00 C ATOM 1464 O ASP A 96 13.323 5.472 -7.732 1.00 0.00 O ATOM 1465 CB ASP A 96 12.843 4.152 -10.121 1.00 0.00 C ATOM 1466 CG ASP A 96 13.047 5.435 -10.929 1.00 0.00 C ATOM 1467 OD1 ASP A 96 12.358 5.615 -11.955 1.00 0.00 O ATOM 1468 OD2 ASP A 96 13.900 6.263 -10.542 1.00 0.00 O ATOM 0 H ASP A 96 10.515 4.848 -10.684 1.00 0.00 H new ATOM 0 HA ASP A 96 11.599 3.315 -8.480 1.00 0.00 H new ATOM 0 HB2 ASP A 96 13.781 3.897 -9.628 1.00 0.00 H new ATOM 0 HB3 ASP A 96 12.613 3.339 -10.810 1.00 0.00 H new ATOM 1473 N ILE A 97 11.224 5.568 -7.038 1.00 0.00 N ATOM 1474 CA ILE A 97 11.560 5.652 -5.585 1.00 0.00 C ATOM 1475 C ILE A 97 11.159 4.330 -4.870 1.00 0.00 C ATOM 1476 O ILE A 97 11.642 3.878 -3.813 1.00 0.00 O ATOM 1477 CB ILE A 97 10.790 6.813 -4.912 1.00 0.00 C ATOM 1478 CG1 ILE A 97 10.723 8.058 -5.810 1.00 0.00 C ATOM 1479 CG2 ILE A 97 11.438 7.134 -3.557 1.00 0.00 C ATOM 1480 CD1 ILE A 97 10.012 9.254 -5.168 1.00 0.00 C ATOM 0 H ILE A 97 10.257 5.800 -7.264 1.00 0.00 H new ATOM 0 HA ILE A 97 12.633 5.822 -5.499 1.00 0.00 H new ATOM 0 HB ILE A 97 9.759 6.497 -4.751 1.00 0.00 H new ATOM 0 HG12 ILE A 97 11.737 8.353 -6.080 1.00 0.00 H new ATOM 0 HG13 ILE A 97 10.210 7.798 -6.736 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.898 7.952 -3.080 1.00 0.00 H new ATOM 0 HG22 ILE A 97 11.400 6.252 -2.917 1.00 0.00 H new ATOM 0 HG23 ILE A 97 12.477 7.426 -3.711 1.00 0.00 H new ATOM 0 HD11 ILE A 97 10.007 10.092 -5.865 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.986 8.979 -4.924 1.00 0.00 H new ATOM 0 HD13 ILE A 97 10.537 9.543 -4.257 1.00 0.00 H new ATOM 1492 N TYR A 98 10.172 3.704 -5.487 1.00 0.00 N ATOM 1493 CA TYR A 98 9.499 2.601 -4.851 1.00 0.00 C ATOM 1494 C TYR A 98 10.376 1.321 -4.920 1.00 0.00 C ATOM 1495 O TYR A 98 9.985 0.268 -4.432 1.00 0.00 O ATOM 1496 CB TYR A 98 8.092 2.497 -5.430 1.00 0.00 C ATOM 1497 CG TYR A 98 7.260 3.736 -5.118 1.00 0.00 C ATOM 1498 CD1 TYR A 98 6.745 3.896 -3.867 1.00 0.00 C ATOM 1499 CD2 TYR A 98 7.070 4.706 -6.051 1.00 0.00 C ATOM 1500 CE1 TYR A 98 6.026 5.005 -3.563 1.00 0.00 C ATOM 1501 CE2 TYR A 98 6.351 5.816 -5.748 1.00 0.00 C ATOM 1502 CZ TYR A 98 5.823 5.966 -4.505 1.00 0.00 C ATOM 1503 OH TYR A 98 5.103 7.089 -4.195 1.00 0.00 O ATOM 0 H TYR A 98 9.827 3.942 -6.417 1.00 0.00 H new ATOM 0 HA TYR A 98 9.364 2.757 -3.781 1.00 0.00 H new ATOM 0 HB2 TYR A 98 8.152 2.362 -6.510 1.00 0.00 H new ATOM 0 HB3 TYR A 98 7.596 1.615 -5.025 1.00 0.00 H new ATOM 0 HD1 TYR A 98 6.910 3.138 -3.116 1.00 0.00 H new ATOM 0 HD2 TYR A 98 7.493 4.593 -7.038 1.00 0.00 H new ATOM 0 HE1 TYR A 98 5.614 5.126 -2.572 1.00 0.00 H new ATOM 0 HE2 TYR A 98 6.198 6.581 -6.495 1.00 0.00 H new ATOM 0 HH TYR A 98 5.054 7.673 -4.980 1.00 0.00 H new ATOM 1513 N LYS A 99 11.597 1.407 -5.469 1.00 0.00 N ATOM 1514 CA LYS A 99 12.519 0.261 -5.495 1.00 0.00 C ATOM 1515 C LYS A 99 13.078 -0.042 -4.101 1.00 0.00 C ATOM 1516 O LYS A 99 12.971 -1.169 -3.612 1.00 0.00 O ATOM 1517 CB LYS A 99 13.667 0.522 -6.481 1.00 0.00 C ATOM 1518 CG LYS A 99 13.188 0.546 -7.937 1.00 0.00 C ATOM 1519 CD LYS A 99 14.314 0.865 -8.929 1.00 0.00 C ATOM 1520 CE LYS A 99 15.399 -0.215 -9.010 1.00 0.00 C ATOM 1521 NZ LYS A 99 14.861 -1.483 -9.531 1.00 0.00 N ATOM 0 H LYS A 99 11.968 2.254 -5.899 1.00 0.00 H new ATOM 0 HA LYS A 99 11.955 -0.611 -5.826 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.140 1.474 -6.241 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.427 -0.250 -6.363 1.00 0.00 H new ATOM 0 HG2 LYS A 99 12.753 -0.422 -8.187 1.00 0.00 H new ATOM 0 HG3 LYS A 99 12.397 1.288 -8.042 1.00 0.00 H new ATOM 0 HD2 LYS A 99 13.882 1.006 -9.920 1.00 0.00 H new ATOM 0 HD3 LYS A 99 14.777 1.810 -8.645 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.209 0.129 -9.653 1.00 0.00 H new ATOM 0 HE3 LYS A 99 15.825 -0.379 -8.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 15.644 -2.142 -9.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 14.216 -1.900 -8.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 14.343 -1.303 -10.415 1.00 0.00 H new ATOM 1535 N VAL A 100 13.632 0.970 -3.433 1.00 0.00 N ATOM 1536 CA VAL A 100 13.952 0.842 -2.001 1.00 0.00 C ATOM 1537 C VAL A 100 12.675 0.570 -1.178 1.00 0.00 C ATOM 1538 O VAL A 100 12.725 -0.175 -0.195 1.00 0.00 O ATOM 1539 CB VAL A 100 14.686 2.107 -1.508 1.00 0.00 C ATOM 1540 CG1 VAL A 100 15.058 2.002 -0.023 1.00 0.00 C ATOM 1541 CG2 VAL A 100 15.977 2.355 -2.301 1.00 0.00 C ATOM 0 H VAL A 100 13.867 1.873 -3.845 1.00 0.00 H new ATOM 0 HA VAL A 100 14.616 -0.011 -1.861 1.00 0.00 H new ATOM 0 HB VAL A 100 13.993 2.935 -1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 100 15.573 2.911 0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 100 14.153 1.877 0.571 1.00 0.00 H new ATOM 0 HG13 VAL A 100 15.713 1.144 0.128 1.00 0.00 H new ATOM 0 HG21 VAL A 100 16.467 3.254 -1.926 1.00 0.00 H new ATOM 0 HG22 VAL A 100 16.645 1.502 -2.184 1.00 0.00 H new ATOM 0 HG23 VAL A 100 15.736 2.486 -3.356 1.00 0.00 H new ATOM 1551 N ASP A 101 11.522 1.120 -1.584 1.00 0.00 N ATOM 1552 CA ASP A 101 10.266 0.725 -0.917 1.00 0.00 C ATOM 1553 C ASP A 101 9.954 -0.776 -1.052 1.00 0.00 C ATOM 1554 O ASP A 101 9.608 -1.427 -0.069 1.00 0.00 O ATOM 1555 CB ASP A 101 9.118 1.517 -1.530 1.00 0.00 C ATOM 1556 CG ASP A 101 8.497 2.546 -0.594 1.00 0.00 C ATOM 1557 OD1 ASP A 101 7.558 2.192 0.150 1.00 0.00 O ATOM 1558 OD2 ASP A 101 8.944 3.714 -0.600 1.00 0.00 O ATOM 0 H ASP A 101 11.428 1.806 -2.333 1.00 0.00 H new ATOM 0 HA ASP A 101 10.385 0.937 0.146 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.480 2.027 -2.423 1.00 0.00 H new ATOM 0 HB3 ASP A 101 8.343 0.821 -1.852 1.00 0.00 H new ATOM 1563 N ALA A 102 10.075 -1.330 -2.260 1.00 0.00 N ATOM 1564 CA ALA A 102 9.876 -2.772 -2.475 1.00 0.00 C ATOM 1565 C ALA A 102 10.829 -3.613 -1.617 1.00 0.00 C ATOM 1566 O ALA A 102 10.435 -4.634 -1.064 1.00 0.00 O ATOM 1567 CB ALA A 102 10.170 -3.031 -3.950 1.00 0.00 C ATOM 0 H ALA A 102 10.309 -0.807 -3.104 1.00 0.00 H new ATOM 0 HA ALA A 102 8.860 -3.052 -2.196 1.00 0.00 H new ATOM 0 HB1 ALA A 102 10.037 -4.091 -4.167 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.486 -2.446 -4.565 1.00 0.00 H new ATOM 0 HB3 ALA A 102 11.197 -2.741 -4.173 1.00 0.00 H new ATOM 1573 N LEU A 103 12.081 -3.174 -1.486 1.00 0.00 N ATOM 1574 CA LEU A 103 13.051 -3.892 -0.642 1.00 0.00 C ATOM 1575 C LEU A 103 12.583 -4.011 0.815 1.00 0.00 C ATOM 1576 O LEU A 103 12.634 -5.079 1.426 1.00 0.00 O ATOM 1577 CB LEU A 103 14.385 -3.123 -0.664 1.00 0.00 C ATOM 1578 CG LEU A 103 15.606 -3.988 -0.317 1.00 0.00 C ATOM 1579 CD1 LEU A 103 15.901 -5.017 -1.413 1.00 0.00 C ATOM 1580 CD2 LEU A 103 16.832 -3.092 -0.123 1.00 0.00 C ATOM 0 H LEU A 103 12.448 -2.339 -1.943 1.00 0.00 H new ATOM 0 HA LEU A 103 13.159 -4.900 -1.043 1.00 0.00 H new ATOM 0 HB2 LEU A 103 14.528 -2.690 -1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 103 14.327 -2.294 0.041 1.00 0.00 H new ATOM 0 HG LEU A 103 15.382 -4.527 0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 103 16.771 -5.610 -1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 103 15.040 -5.674 -1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 103 16.102 -4.501 -2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 103 17.697 -3.708 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 103 17.029 -2.541 -1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 103 16.644 -2.389 0.689 1.00 0.00 H new ATOM 1592 N ILE A 104 12.181 -2.876 1.371 1.00 0.00 N ATOM 1593 CA ILE A 104 11.942 -2.780 2.820 1.00 0.00 C ATOM 1594 C ILE A 104 10.580 -3.342 3.253 1.00 0.00 C ATOM 1595 O ILE A 104 10.452 -3.962 4.310 1.00 0.00 O ATOM 1596 CB ILE A 104 12.197 -1.308 3.171 1.00 0.00 C ATOM 1597 CG1 ILE A 104 12.709 -1.182 4.616 1.00 0.00 C ATOM 1598 CG2 ILE A 104 10.988 -0.392 2.929 1.00 0.00 C ATOM 1599 CD1 ILE A 104 13.247 0.213 4.938 1.00 0.00 C ATOM 0 H ILE A 104 12.013 -2.013 0.854 1.00 0.00 H new ATOM 0 HA ILE A 104 12.616 -3.417 3.392 1.00 0.00 H new ATOM 0 HB ILE A 104 12.968 -0.959 2.484 1.00 0.00 H new ATOM 0 HG12 ILE A 104 11.899 -1.421 5.305 1.00 0.00 H new ATOM 0 HG13 ILE A 104 13.497 -1.917 4.782 1.00 0.00 H new ATOM 0 HG21 ILE A 104 11.247 0.631 3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 104 10.709 -0.429 1.876 1.00 0.00 H new ATOM 0 HG23 ILE A 104 10.149 -0.728 3.539 1.00 0.00 H new ATOM 0 HD11 ILE A 104 13.593 0.240 5.971 1.00 0.00 H new ATOM 0 HD12 ILE A 104 14.077 0.446 4.271 1.00 0.00 H new ATOM 0 HD13 ILE A 104 12.455 0.949 4.802 1.00 0.00 H new ATOM 1611 N ASN A 105 9.581 -3.180 2.394 1.00 0.00 N ATOM 1612 CA ASN A 105 8.270 -3.780 2.598 1.00 0.00 C ATOM 1613 C ASN A 105 8.254 -5.302 2.395 1.00 0.00 C ATOM 1614 O ASN A 105 7.305 -5.951 2.835 1.00 0.00 O ATOM 1615 CB ASN A 105 7.399 -3.075 1.548 1.00 0.00 C ATOM 1616 CG ASN A 105 6.724 -1.815 2.087 1.00 0.00 C ATOM 1617 OD1 ASN A 105 5.716 -1.877 2.788 1.00 0.00 O ATOM 1618 ND2 ASN A 105 7.265 -0.652 1.766 1.00 0.00 N ATOM 0 H ASN A 105 9.657 -2.630 1.538 1.00 0.00 H new ATOM 0 HA ASN A 105 7.924 -3.651 3.624 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.016 -2.812 0.689 1.00 0.00 H new ATOM 0 HB3 ASN A 105 6.635 -3.767 1.192 1.00 0.00 H new ATOM 0 HD21 ASN A 105 6.846 0.215 2.101 1.00 0.00 H new ATOM 0 HD22 ASN A 105 8.102 -0.622 1.183 1.00 0.00 H new ATOM 1625 N GLY A 106 9.264 -5.893 1.753 1.00 0.00 N ATOM 1626 CA GLY A 106 9.270 -7.358 1.614 1.00 0.00 C ATOM 1627 C GLY A 106 8.874 -7.819 0.212 1.00 0.00 C ATOM 1628 O GLY A 106 8.369 -8.926 0.032 1.00 0.00 O ATOM 0 H GLY A 106 10.059 -5.408 1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.265 -7.737 1.849 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.584 -7.791 2.342 1.00 0.00 H new ATOM 1632 N PHE A 107 9.157 -6.991 -0.784 1.00 0.00 N ATOM 1633 CA PHE A 107 8.921 -7.376 -2.181 1.00 0.00 C ATOM 1634 C PHE A 107 10.284 -7.653 -2.803 1.00 0.00 C ATOM 1635 O PHE A 107 11.318 -7.136 -2.371 1.00 0.00 O ATOM 1636 CB PHE A 107 8.224 -6.272 -2.993 1.00 0.00 C ATOM 1637 CG PHE A 107 6.802 -5.967 -2.550 1.00 0.00 C ATOM 1638 CD1 PHE A 107 6.559 -5.073 -1.554 1.00 0.00 C ATOM 1639 CD2 PHE A 107 5.758 -6.576 -3.180 1.00 0.00 C ATOM 1640 CE1 PHE A 107 5.282 -4.817 -1.166 1.00 0.00 C ATOM 1641 CE2 PHE A 107 4.483 -6.312 -2.795 1.00 0.00 C ATOM 1642 CZ PHE A 107 4.244 -5.437 -1.784 1.00 0.00 C ATOM 0 H PHE A 107 9.546 -6.056 -0.660 1.00 0.00 H new ATOM 0 HA PHE A 107 8.265 -8.246 -2.198 1.00 0.00 H new ATOM 0 HB2 PHE A 107 8.816 -5.359 -2.925 1.00 0.00 H new ATOM 0 HB3 PHE A 107 8.209 -6.565 -4.043 1.00 0.00 H new ATOM 0 HD1 PHE A 107 7.382 -4.566 -1.071 1.00 0.00 H new ATOM 0 HD2 PHE A 107 5.945 -7.269 -3.987 1.00 0.00 H new ATOM 0 HE1 PHE A 107 5.092 -4.119 -0.364 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.658 -6.799 -3.293 1.00 0.00 H new ATOM 0 HZ PHE A 107 3.230 -5.235 -1.472 1.00 0.00 H new ATOM 1652 N GLU A 108 10.267 -8.402 -3.895 1.00 0.00 N ATOM 1653 CA GLU A 108 11.426 -8.385 -4.789 1.00 0.00 C ATOM 1654 C GLU A 108 10.931 -7.840 -6.122 1.00 0.00 C ATOM 1655 O GLU A 108 9.776 -8.014 -6.504 1.00 0.00 O ATOM 1656 CB GLU A 108 11.986 -9.805 -4.970 1.00 0.00 C ATOM 1657 CG GLU A 108 12.559 -10.381 -3.671 1.00 0.00 C ATOM 1658 CD GLU A 108 13.156 -11.763 -3.899 1.00 0.00 C ATOM 1659 OE1 GLU A 108 12.388 -12.740 -4.025 1.00 0.00 O ATOM 1660 OE2 GLU A 108 14.401 -11.879 -3.956 1.00 0.00 O ATOM 0 H GLU A 108 9.498 -9.009 -4.181 1.00 0.00 H new ATOM 0 HA GLU A 108 12.228 -7.769 -4.381 1.00 0.00 H new ATOM 0 HB2 GLU A 108 11.195 -10.460 -5.336 1.00 0.00 H new ATOM 0 HB3 GLU A 108 12.766 -9.790 -5.732 1.00 0.00 H new ATOM 0 HG2 GLU A 108 13.325 -9.711 -3.279 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.773 -10.441 -2.918 1.00 0.00 H new ATOM 1667 N ILE A 109 11.849 -7.252 -6.870 1.00 0.00 N ATOM 1668 CA ILE A 109 11.475 -6.590 -8.114 1.00 0.00 C ATOM 1669 C ILE A 109 11.873 -7.462 -9.305 1.00 0.00 C ATOM 1670 O ILE A 109 12.836 -8.232 -9.283 1.00 0.00 O ATOM 1671 CB ILE A 109 12.179 -5.227 -8.049 1.00 0.00 C ATOM 1672 CG1 ILE A 109 11.449 -4.276 -7.100 1.00 0.00 C ATOM 1673 CG2 ILE A 109 12.209 -4.506 -9.377 1.00 0.00 C ATOM 1674 CD1 ILE A 109 12.360 -3.211 -6.506 1.00 0.00 C ATOM 0 H ILE A 109 12.843 -7.217 -6.646 1.00 0.00 H new ATOM 0 HA ILE A 109 10.403 -6.440 -8.242 1.00 0.00 H new ATOM 0 HB ILE A 109 13.191 -5.460 -7.717 1.00 0.00 H new ATOM 0 HG12 ILE A 109 10.634 -3.790 -7.637 1.00 0.00 H new ATOM 0 HG13 ILE A 109 10.999 -4.853 -6.292 1.00 0.00 H new ATOM 0 HG21 ILE A 109 12.720 -3.550 -9.261 1.00 0.00 H new ATOM 0 HG22 ILE A 109 12.739 -5.115 -10.110 1.00 0.00 H new ATOM 0 HG23 ILE A 109 11.189 -4.332 -9.720 1.00 0.00 H new ATOM 0 HD11 ILE A 109 11.783 -2.568 -5.842 1.00 0.00 H new ATOM 0 HD12 ILE A 109 13.160 -3.690 -5.942 1.00 0.00 H new ATOM 0 HD13 ILE A 109 12.790 -2.611 -7.308 1.00 0.00 H new ATOM 1686 N ILE A 110 11.068 -7.324 -10.345 1.00 0.00 N ATOM 1687 CA ILE A 110 11.249 -8.105 -11.570 1.00 0.00 C ATOM 1688 C ILE A 110 10.967 -7.157 -12.740 1.00 0.00 C ATOM 1689 O ILE A 110 9.930 -6.488 -12.791 1.00 0.00 O ATOM 1690 CB ILE A 110 10.355 -9.364 -11.590 1.00 0.00 C ATOM 1691 CG1 ILE A 110 8.844 -9.091 -11.455 1.00 0.00 C ATOM 1692 CG2 ILE A 110 10.827 -10.370 -10.532 1.00 0.00 C ATOM 1693 CD1 ILE A 110 7.992 -10.338 -11.709 1.00 0.00 C ATOM 0 H ILE A 110 10.279 -6.678 -10.371 1.00 0.00 H new ATOM 0 HA ILE A 110 12.266 -8.491 -11.639 1.00 0.00 H new ATOM 0 HB ILE A 110 10.473 -9.789 -12.587 1.00 0.00 H new ATOM 0 HG12 ILE A 110 8.636 -8.712 -10.455 1.00 0.00 H new ATOM 0 HG13 ILE A 110 8.556 -8.310 -12.159 1.00 0.00 H new ATOM 0 HG21 ILE A 110 10.187 -11.252 -10.558 1.00 0.00 H new ATOM 0 HG22 ILE A 110 11.856 -10.662 -10.741 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.773 -9.912 -9.545 1.00 0.00 H new ATOM 0 HD11 ILE A 110 6.937 -10.086 -11.600 1.00 0.00 H new ATOM 0 HD12 ILE A 110 8.175 -10.704 -12.719 1.00 0.00 H new ATOM 0 HD13 ILE A 110 8.256 -11.112 -10.989 1.00 0.00 H new ATOM 1705 N ASN A 111 11.929 -7.061 -13.656 1.00 0.00 N ATOM 1706 CA ASN A 111 11.871 -6.008 -14.680 1.00 0.00 C ATOM 1707 C ASN A 111 11.876 -6.549 -16.112 1.00 0.00 C ATOM 1708 O ASN A 111 12.897 -6.747 -16.771 1.00 0.00 O ATOM 1709 CB ASN A 111 12.955 -4.953 -14.449 1.00 0.00 C ATOM 1710 CG ASN A 111 14.390 -5.483 -14.370 1.00 0.00 C ATOM 1711 OD1 ASN A 111 14.787 -6.130 -13.400 1.00 0.00 O ATOM 1712 ND2 ASN A 111 15.191 -5.204 -15.383 1.00 0.00 N ATOM 0 H ASN A 111 12.739 -7.679 -13.715 1.00 0.00 H new ATOM 0 HA ASN A 111 10.904 -5.518 -14.567 1.00 0.00 H new ATOM 0 HB2 ASN A 111 12.901 -4.221 -15.255 1.00 0.00 H new ATOM 0 HB3 ASN A 111 12.731 -4.425 -13.522 1.00 0.00 H new ATOM 0 HD21 ASN A 111 16.159 -5.526 -15.372 1.00 0.00 H new ATOM 0 HD22 ASN A 111 14.842 -4.667 -16.176 1.00 0.00 H new ATOM 1719 N GLU A 112 10.656 -6.825 -16.532 1.00 0.00 N ATOM 1720 CA GLU A 112 10.377 -7.533 -17.785 1.00 0.00 C ATOM 1721 C GLU A 112 9.260 -6.656 -18.362 1.00 0.00 C ATOM 1722 O GLU A 112 8.162 -6.761 -17.822 1.00 0.00 O ATOM 1723 CB GLU A 112 9.871 -8.969 -17.578 1.00 0.00 C ATOM 1724 CG GLU A 112 10.903 -9.894 -16.927 1.00 0.00 C ATOM 1725 CD GLU A 112 10.893 -9.837 -15.405 1.00 0.00 C ATOM 1726 OE1 GLU A 112 9.795 -9.745 -14.811 1.00 0.00 O ATOM 1727 OE2 GLU A 112 11.981 -9.893 -14.795 1.00 0.00 O ATOM 0 H GLU A 112 9.817 -6.565 -16.014 1.00 0.00 H new ATOM 0 HA GLU A 112 11.262 -7.656 -18.410 1.00 0.00 H new ATOM 0 HB2 GLU A 112 8.975 -8.944 -16.957 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.579 -9.385 -18.542 1.00 0.00 H new ATOM 0 HG2 GLU A 112 10.713 -10.919 -17.246 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.897 -9.627 -17.286 1.00 0.00 H new ATOM 1734 N PRO A 113 9.499 -5.740 -19.321 1.00 0.00 N ATOM 1735 CA PRO A 113 8.873 -4.395 -19.320 1.00 0.00 C ATOM 1736 C PRO A 113 7.348 -4.142 -19.252 1.00 0.00 C ATOM 1737 O PRO A 113 6.887 -3.067 -19.638 1.00 0.00 O ATOM 1738 CB PRO A 113 9.450 -3.784 -20.596 1.00 0.00 C ATOM 1739 CG PRO A 113 10.875 -4.315 -20.649 1.00 0.00 C ATOM 1740 CD PRO A 113 10.794 -5.703 -20.018 1.00 0.00 C ATOM 0 HA PRO A 113 9.103 -3.971 -18.342 1.00 0.00 H new ATOM 0 HB2 PRO A 113 8.880 -4.084 -21.475 1.00 0.00 H new ATOM 0 HB3 PRO A 113 9.431 -2.695 -20.560 1.00 0.00 H new ATOM 0 HG2 PRO A 113 11.241 -4.367 -21.675 1.00 0.00 H new ATOM 0 HG3 PRO A 113 11.559 -3.669 -20.099 1.00 0.00 H new ATOM 0 HD2 PRO A 113 10.854 -6.484 -20.776 1.00 0.00 H new ATOM 0 HD3 PRO A 113 11.618 -5.868 -19.324 1.00 0.00 H new ATOM 1748 N ASP A 114 6.587 -5.001 -18.591 1.00 0.00 N ATOM 1749 CA ASP A 114 5.620 -4.498 -17.606 1.00 0.00 C ATOM 1750 C ASP A 114 6.281 -4.690 -16.236 1.00 0.00 C ATOM 1751 O ASP A 114 6.635 -5.790 -15.813 1.00 0.00 O ATOM 1752 CB ASP A 114 4.274 -5.197 -17.748 1.00 0.00 C ATOM 1753 CG ASP A 114 3.280 -4.859 -16.640 1.00 0.00 C ATOM 1754 OD1 ASP A 114 2.912 -3.672 -16.502 1.00 0.00 O ATOM 1755 OD2 ASP A 114 2.858 -5.780 -15.908 1.00 0.00 O ATOM 0 H ASP A 114 6.610 -6.014 -18.706 1.00 0.00 H new ATOM 0 HA ASP A 114 5.386 -3.444 -17.754 1.00 0.00 H new ATOM 0 HB2 ASP A 114 3.836 -4.928 -18.709 1.00 0.00 H new ATOM 0 HB3 ASP A 114 4.435 -6.275 -17.761 1.00 0.00 H new ATOM 1760 N TYR A 115 6.537 -3.555 -15.611 1.00 0.00 N ATOM 1761 CA TYR A 115 7.460 -3.500 -14.468 1.00 0.00 C ATOM 1762 C TYR A 115 6.730 -3.714 -13.142 1.00 0.00 C ATOM 1763 O TYR A 115 5.823 -2.941 -12.825 1.00 0.00 O ATOM 1764 CB TYR A 115 8.156 -2.136 -14.479 1.00 0.00 C ATOM 1765 CG TYR A 115 9.060 -1.921 -13.275 1.00 0.00 C ATOM 1766 CD1 TYR A 115 10.002 -2.846 -12.941 1.00 0.00 C ATOM 1767 CD2 TYR A 115 8.879 -0.827 -12.488 1.00 0.00 C ATOM 1768 CE1 TYR A 115 10.810 -2.635 -11.873 1.00 0.00 C ATOM 1769 CE2 TYR A 115 9.686 -0.618 -11.416 1.00 0.00 C ATOM 1770 CZ TYR A 115 10.662 -1.515 -11.116 1.00 0.00 C ATOM 1771 OH TYR A 115 11.459 -1.319 -10.022 1.00 0.00 O ATOM 0 H TYR A 115 6.126 -2.657 -15.866 1.00 0.00 H new ATOM 0 HA TYR A 115 8.192 -4.302 -14.561 1.00 0.00 H new ATOM 0 HB2 TYR A 115 8.746 -2.043 -15.391 1.00 0.00 H new ATOM 0 HB3 TYR A 115 7.402 -1.350 -14.505 1.00 0.00 H new ATOM 0 HD1 TYR A 115 10.105 -3.747 -13.527 1.00 0.00 H new ATOM 0 HD2 TYR A 115 8.092 -0.123 -12.716 1.00 0.00 H new ATOM 0 HE1 TYR A 115 11.573 -3.358 -11.623 1.00 0.00 H new ATOM 0 HE2 TYR A 115 9.552 0.260 -10.802 1.00 0.00 H new ATOM 0 HH TYR A 115 10.902 -1.092 -9.248 1.00 0.00 H new ATOM 1781 N CYS A 116 7.035 -4.812 -12.433 1.00 0.00 N ATOM 1782 CA CYS A 116 6.513 -4.999 -11.064 1.00 0.00 C ATOM 1783 C CYS A 116 7.440 -5.748 -10.103 1.00 0.00 C ATOM 1784 O CYS A 116 8.648 -5.894 -10.287 1.00 0.00 O ATOM 1785 CB CYS A 116 5.174 -5.750 -11.145 1.00 0.00 C ATOM 1786 SG CYS A 116 5.398 -7.513 -11.506 1.00 0.00 S ATOM 0 H CYS A 116 7.627 -5.570 -12.772 1.00 0.00 H new ATOM 0 HA CYS A 116 6.409 -3.996 -10.649 1.00 0.00 H new ATOM 0 HB2 CYS A 116 4.640 -5.639 -10.201 1.00 0.00 H new ATOM 0 HB3 CYS A 116 4.552 -5.299 -11.918 1.00 0.00 H new ATOM 0 HG CYS A 116 4.556 -8.210 -10.803 1.00 0.00 H new ATOM 1792 N TRP A 117 6.772 -6.156 -9.021 1.00 0.00 N ATOM 1793 CA TRP A 117 7.394 -6.661 -7.795 1.00 0.00 C ATOM 1794 C TRP A 117 6.560 -7.866 -7.378 1.00 0.00 C ATOM 1795 O TRP A 117 5.348 -7.727 -7.237 1.00 0.00 O ATOM 1796 CB TRP A 117 7.279 -5.660 -6.635 1.00 0.00 C ATOM 1797 CG TRP A 117 7.710 -4.245 -6.895 1.00 0.00 C ATOM 1798 CD1 TRP A 117 8.379 -3.738 -8.000 1.00 0.00 C ATOM 1799 CD2 TRP A 117 7.465 -3.180 -6.087 1.00 0.00 C ATOM 1800 NE1 TRP A 117 8.537 -2.364 -7.918 1.00 0.00 N ATOM 1801 CE2 TRP A 117 7.971 -2.056 -6.690 1.00 0.00 C ATOM 1802 CE3 TRP A 117 6.877 -3.131 -4.860 1.00 0.00 C ATOM 1803 CZ2 TRP A 117 8.010 -0.888 -6.009 1.00 0.00 C ATOM 1804 CZ3 TRP A 117 6.813 -1.931 -4.234 1.00 0.00 C ATOM 1805 CH2 TRP A 117 7.440 -0.849 -4.766 1.00 0.00 C ATOM 0 H TRP A 117 5.753 -6.144 -8.973 1.00 0.00 H new ATOM 0 HA TRP A 117 8.447 -6.868 -7.988 1.00 0.00 H new ATOM 0 HB2 TRP A 117 6.239 -5.640 -6.309 1.00 0.00 H new ATOM 0 HB3 TRP A 117 7.867 -6.043 -5.801 1.00 0.00 H new ATOM 0 HD1 TRP A 117 8.733 -4.341 -8.823 1.00 0.00 H new ATOM 0 HE1 TRP A 117 8.965 -1.733 -8.595 1.00 0.00 H new ATOM 0 HE3 TRP A 117 6.474 -4.021 -4.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 8.477 -0.012 -6.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 6.262 -1.834 -3.310 1.00 0.00 H new ATOM 0 HH2 TRP A 117 7.490 0.065 -4.193 1.00 0.00 H new ATOM 1816 N ILE A 118 7.143 -9.016 -7.089 1.00 0.00 N ATOM 1817 CA ILE A 118 6.364 -10.048 -6.387 1.00 0.00 C ATOM 1818 C ILE A 118 6.946 -10.151 -4.971 1.00 0.00 C ATOM 1819 O ILE A 118 8.158 -10.115 -4.752 1.00 0.00 O ATOM 1820 CB ILE A 118 6.331 -11.375 -7.176 1.00 0.00 C ATOM 1821 CG1 ILE A 118 5.993 -12.630 -6.350 1.00 0.00 C ATOM 1822 CG2 ILE A 118 7.629 -11.693 -7.889 1.00 0.00 C ATOM 1823 CD1 ILE A 118 4.984 -13.492 -7.106 1.00 0.00 C ATOM 0 H ILE A 118 8.107 -9.263 -7.312 1.00 0.00 H new ATOM 0 HA ILE A 118 5.310 -9.781 -6.310 1.00 0.00 H new ATOM 0 HB ILE A 118 5.525 -11.172 -7.881 1.00 0.00 H new ATOM 0 HG12 ILE A 118 6.900 -13.203 -6.154 1.00 0.00 H new ATOM 0 HG13 ILE A 118 5.584 -12.340 -5.382 1.00 0.00 H new ATOM 0 HG21 ILE A 118 7.530 -12.639 -8.421 1.00 0.00 H new ATOM 0 HG22 ILE A 118 7.857 -10.899 -8.600 1.00 0.00 H new ATOM 0 HG23 ILE A 118 8.435 -11.770 -7.160 1.00 0.00 H new ATOM 0 HD11 ILE A 118 4.749 -14.378 -6.517 1.00 0.00 H new ATOM 0 HD12 ILE A 118 4.073 -12.919 -7.279 1.00 0.00 H new ATOM 0 HD13 ILE A 118 5.409 -13.795 -8.063 1.00 0.00 H new ATOM 1835 N LYS A 119 6.053 -10.395 -4.028 1.00 0.00 N ATOM 1836 CA LYS A 119 6.461 -10.615 -2.634 1.00 0.00 C ATOM 1837 C LYS A 119 6.961 -12.057 -2.506 1.00 0.00 C ATOM 1838 O LYS A 119 6.340 -12.999 -2.995 1.00 0.00 O ATOM 1839 CB LYS A 119 5.229 -10.335 -1.760 1.00 0.00 C ATOM 1840 CG LYS A 119 5.474 -10.538 -0.262 1.00 0.00 C ATOM 1841 CD LYS A 119 4.223 -10.197 0.552 1.00 0.00 C ATOM 1842 CE LYS A 119 4.442 -10.363 2.060 1.00 0.00 C ATOM 1843 NZ LYS A 119 5.406 -9.377 2.575 1.00 0.00 N ATOM 0 H LYS A 119 5.047 -10.447 -4.190 1.00 0.00 H new ATOM 0 HA LYS A 119 7.271 -9.959 -2.315 1.00 0.00 H new ATOM 0 HB2 LYS A 119 4.901 -9.309 -1.929 1.00 0.00 H new ATOM 0 HB3 LYS A 119 4.415 -10.987 -2.077 1.00 0.00 H new ATOM 0 HG2 LYS A 119 5.763 -11.572 -0.074 1.00 0.00 H new ATOM 0 HG3 LYS A 119 6.305 -9.911 0.062 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.925 -9.170 0.342 1.00 0.00 H new ATOM 0 HD3 LYS A 119 3.401 -10.838 0.235 1.00 0.00 H new ATOM 0 HE2 LYS A 119 3.491 -10.251 2.582 1.00 0.00 H new ATOM 0 HE3 LYS A 119 4.803 -11.370 2.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 5.431 -9.425 3.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 6.352 -9.585 2.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 5.117 -8.422 2.280 1.00 0.00 H new ATOM 1857 N MET A 120 8.094 -12.224 -1.828 1.00 0.00 N ATOM 1858 CA MET A 120 8.548 -13.574 -1.465 1.00 0.00 C ATOM 1859 C MET A 120 8.555 -13.764 0.052 1.00 0.00 C ATOM 1860 O MET A 120 9.401 -13.235 0.775 1.00 0.00 O ATOM 1861 CB MET A 120 9.931 -13.841 -2.060 1.00 0.00 C ATOM 1862 CG MET A 120 10.364 -15.300 -1.901 1.00 0.00 C ATOM 1863 SD MET A 120 11.976 -15.535 -2.670 1.00 0.00 S ATOM 1864 CE MET A 120 12.190 -17.300 -2.377 1.00 0.00 C ATOM 0 H MET A 120 8.705 -11.466 -1.523 1.00 0.00 H new ATOM 0 HA MET A 120 7.847 -14.298 -1.881 1.00 0.00 H new ATOM 0 HB2 MET A 120 9.924 -13.580 -3.118 1.00 0.00 H new ATOM 0 HB3 MET A 120 10.662 -13.193 -1.577 1.00 0.00 H new ATOM 0 HG2 MET A 120 10.411 -15.563 -0.844 1.00 0.00 H new ATOM 0 HG3 MET A 120 9.630 -15.961 -2.362 1.00 0.00 H new ATOM 0 HE1 MET A 120 13.145 -17.624 -2.790 1.00 0.00 H new ATOM 0 HE2 MET A 120 12.174 -17.495 -1.305 1.00 0.00 H new ATOM 0 HE3 MET A 120 11.381 -17.849 -2.858 1.00 0.00 H new TER 1874 MET A 120