USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 919 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 2 SER OG : rot 180:sc= 0.121 USER MOD Set 1.2: A 103 THR OG1 : rot 145:sc= 0.123 USER MOD Set 2.1: A 93 ASN : amide:sc= -2.6! K(o=-2.5!,f=-0.24) USER MOD Set 2.2: A 95 THR OG1 : rot 180:sc= 0.145 USER MOD Set 3.1: A 59 MET CE :methyl -118:sc= -0.453 (180deg=-0.938) USER MOD Set 3.2: A 90 SER OG : rot 180:sc= -1.15 USER MOD Set 4.1: A 58 MET CE :methyl -148:sc= -4.34 (180deg=-6.44!) USER MOD Set 4.2: A 97 MET CE :methyl -167:sc= -0.937 (180deg=0) USER MOD Set 4.3: A 101 LYS NZ :NH3+ -127:sc= -3.47! (180deg=-2.83!) USER MOD Set 5.1: A 47 LYS NZ :NH3+ -162:sc= -0.0192 (180deg=0) USER MOD Set 5.2: A 49 GLN : amide:sc= -2.22 X(o=-2.2,f=-1.9) USER MOD Single : A 3 HIS : no HD1:sc= -0.948 K(o=-0.95,f=0) USER MOD Single : A 4 SER OG : rot 39:sc= 0.0324 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= -0.962 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0559 USER MOD Single : A 31 SER OG : rot -82:sc= 1.45 USER MOD Single : A 32 THR OG1 : rot 82:sc= 0.0397 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HE2:sc= -4.97! C(o=-5!,f=-3.7!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 39:sc= 1.24 USER MOD Single : A 44 THR OG1 : rot -55:sc= 0.474 USER MOD Single : A 51 THR OG1 : rot 100:sc= 0.849 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -15:sc= 0.606! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 31:sc= 0.813 USER MOD Single : A 70 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0139) USER MOD Single : A 71 LYS NZ :NH3+ -141:sc= -0.756 (180deg=-2.67!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.549 X(o=-0.55,f=-0.089) USER MOD Single : A 78 ASN : amide:sc= -4.86 K(o=-4.9,f=-3.8!) USER MOD Single : A 83 LYS NZ :NH3+ 174:sc= -0.0404 (180deg=-0.117) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 87 HIS : no HE2:sc= 0.0965 K(o=0.097,f=-0.44) USER MOD Single : A 88 MET CE :methyl -164:sc= -0.0732 (180deg=-0.475) USER MOD Single : A 92 ASN : amide:sc= -1.83! C(o=-1.8!,f=-5.8!) USER MOD Single : A 99 ASN : amide:sc= -1.4 K(o=-1.4,f=-2.7) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 106 GLN : amide:sc= -0.519 K(o=-0.52,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 120:sc= -0.41 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -13.845 8.830 7.584 1.00 0.00 N ATOM 2 CA PRO A 1 -12.710 7.900 7.423 1.00 0.00 C ATOM 3 C PRO A 1 -12.430 7.595 5.953 1.00 0.00 C ATOM 4 O PRO A 1 -12.952 6.628 5.398 1.00 0.00 O ATOM 5 CB PRO A 1 -13.083 6.628 8.174 1.00 0.00 C ATOM 6 CG PRO A 1 -14.247 7.023 9.036 1.00 0.00 C ATOM 7 CD PRO A 1 -14.923 8.201 8.360 1.00 0.00 C ATOM 0 H2 PRO A 1 -14.196 9.108 6.668 1.00 0.00 H new ATOM 0 H3 PRO A 1 -13.532 9.679 8.054 1.00 0.00 H new ATOM 0 HA PRO A 1 -11.797 8.345 7.819 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -13.353 5.827 7.486 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -12.250 6.264 8.776 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -14.943 6.192 9.148 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -13.911 7.294 10.037 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -15.741 7.877 7.717 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -15.345 8.892 9.090 1.00 0.00 H new ATOM 17 N SER A 2 -11.603 8.427 5.329 1.00 0.00 N ATOM 18 CA SER A 2 -11.253 8.247 3.924 1.00 0.00 C ATOM 19 C SER A 2 -9.759 7.982 3.765 1.00 0.00 C ATOM 20 O SER A 2 -9.342 6.851 3.520 1.00 0.00 O ATOM 21 CB SER A 2 -11.654 9.481 3.115 1.00 0.00 C ATOM 22 OG SER A 2 -11.022 9.487 1.846 1.00 0.00 O ATOM 0 H SER A 2 -11.163 9.232 5.773 1.00 0.00 H new ATOM 0 HA SER A 2 -11.799 7.382 3.547 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.736 9.499 2.986 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.383 10.383 3.664 1.00 0.00 H new ATOM 0 HG SER A 2 -11.296 10.285 1.348 1.00 0.00 H new ATOM 28 N HIS A 3 -8.959 9.034 3.905 1.00 0.00 N ATOM 29 CA HIS A 3 -7.510 8.916 3.776 1.00 0.00 C ATOM 30 C HIS A 3 -6.939 7.976 4.831 1.00 0.00 C ATOM 31 O HIS A 3 -5.869 7.395 4.646 1.00 0.00 O ATOM 32 CB HIS A 3 -6.854 10.292 3.891 1.00 0.00 C ATOM 33 CG HIS A 3 -7.010 11.136 2.664 1.00 0.00 C ATOM 34 ND1 HIS A 3 -8.103 11.947 2.443 1.00 0.00 N ATOM 35 CD2 HIS A 3 -6.203 11.291 1.588 1.00 0.00 C ATOM 36 CE1 HIS A 3 -7.961 12.565 1.283 1.00 0.00 C ATOM 37 NE2 HIS A 3 -6.818 12.185 0.746 1.00 0.00 N ATOM 0 H HIS A 3 -9.289 9.978 4.108 1.00 0.00 H new ATOM 0 HA HIS A 3 -7.293 8.498 2.793 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.284 10.820 4.742 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.792 10.162 4.100 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.254 10.803 1.423 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.662 13.263 0.849 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -6.450 12.504 -0.150 1.00 0.00 H new ATOM 46 N SER A 4 -7.657 7.831 5.937 1.00 0.00 N ATOM 47 CA SER A 4 -7.221 6.963 7.024 1.00 0.00 C ATOM 48 C SER A 4 -8.266 5.892 7.321 1.00 0.00 C ATOM 49 O SER A 4 -9.449 6.189 7.486 1.00 0.00 O ATOM 50 CB SER A 4 -6.946 7.786 8.282 1.00 0.00 C ATOM 51 OG SER A 4 -8.105 8.485 8.700 1.00 0.00 O ATOM 0 H SER A 4 -8.545 8.304 6.106 1.00 0.00 H new ATOM 0 HA SER A 4 -6.301 6.469 6.713 1.00 0.00 H new ATOM 0 HB2 SER A 4 -6.606 7.129 9.082 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.141 8.495 8.087 1.00 0.00 H new ATOM 0 HG SER A 4 -8.893 7.916 8.576 1.00 0.00 H new ATOM 57 N GLY A 5 -7.815 4.646 7.390 1.00 0.00 N ATOM 58 CA GLY A 5 -8.709 3.540 7.670 1.00 0.00 C ATOM 59 C GLY A 5 -7.962 2.323 8.173 1.00 0.00 C ATOM 60 O GLY A 5 -6.807 2.104 7.806 1.00 0.00 O ATOM 0 H GLY A 5 -6.839 4.381 7.256 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.445 3.847 8.413 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.259 3.280 6.766 1.00 0.00 H new ATOM 64 N ALA A 6 -8.610 1.529 9.017 1.00 0.00 N ATOM 65 CA ALA A 6 -7.979 0.338 9.564 1.00 0.00 C ATOM 66 C ALA A 6 -7.661 -0.672 8.471 1.00 0.00 C ATOM 67 O ALA A 6 -8.463 -0.902 7.567 1.00 0.00 O ATOM 68 CB ALA A 6 -8.856 -0.303 10.623 1.00 0.00 C ATOM 0 H ALA A 6 -9.566 1.688 9.335 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.042 0.650 10.026 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.362 -1.191 11.016 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.026 0.406 11.433 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.812 -0.585 10.182 1.00 0.00 H new ATOM 74 N ALA A 7 -6.483 -1.273 8.567 1.00 0.00 N ATOM 75 CA ALA A 7 -6.048 -2.265 7.592 1.00 0.00 C ATOM 76 C ALA A 7 -4.990 -3.202 8.171 1.00 0.00 C ATOM 77 O ALA A 7 -4.197 -2.806 9.024 1.00 0.00 O ATOM 78 CB ALA A 7 -5.515 -1.576 6.345 1.00 0.00 C ATOM 0 H ALA A 7 -5.810 -1.091 9.311 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.915 -2.870 7.326 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.193 -2.327 5.624 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.301 -0.963 5.904 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.669 -0.943 6.612 1.00 0.00 H new ATOM 84 N ILE A 8 -4.984 -4.450 7.699 1.00 0.00 N ATOM 85 CA ILE A 8 -4.023 -5.444 8.166 1.00 0.00 C ATOM 86 C ILE A 8 -2.829 -5.543 7.230 1.00 0.00 C ATOM 87 O ILE A 8 -2.969 -5.458 6.009 1.00 0.00 O ATOM 88 CB ILE A 8 -4.658 -6.841 8.254 1.00 0.00 C ATOM 89 CG1 ILE A 8 -5.958 -6.794 9.041 1.00 0.00 C ATOM 90 CG2 ILE A 8 -3.696 -7.844 8.880 1.00 0.00 C ATOM 91 CD1 ILE A 8 -6.795 -8.024 8.823 1.00 0.00 C ATOM 0 H ILE A 8 -5.635 -4.794 6.993 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.701 -5.115 9.154 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.879 -7.170 7.238 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.735 -6.691 10.103 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.527 -5.912 8.748 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.172 -8.823 8.929 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.793 -7.910 8.273 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.434 -7.517 9.886 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.714 -7.947 9.405 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.042 -8.113 7.765 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.237 -8.905 9.141 1.00 0.00 H new ATOM 103 N PHE A 9 -1.661 -5.752 7.813 1.00 0.00 N ATOM 104 CA PHE A 9 -0.439 -5.901 7.043 1.00 0.00 C ATOM 105 C PHE A 9 0.470 -6.935 7.696 1.00 0.00 C ATOM 106 O PHE A 9 1.073 -6.677 8.736 1.00 0.00 O ATOM 107 CB PHE A 9 0.284 -4.562 6.909 1.00 0.00 C ATOM 108 CG PHE A 9 1.554 -4.647 6.112 1.00 0.00 C ATOM 109 CD1 PHE A 9 1.536 -5.118 4.810 1.00 0.00 C ATOM 110 CD2 PHE A 9 2.761 -4.257 6.665 1.00 0.00 C ATOM 111 CE1 PHE A 9 2.703 -5.199 4.072 1.00 0.00 C ATOM 112 CE2 PHE A 9 3.931 -4.335 5.933 1.00 0.00 C ATOM 113 CZ PHE A 9 3.902 -4.806 4.635 1.00 0.00 C ATOM 0 H PHE A 9 -1.534 -5.823 8.823 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.701 -6.246 6.043 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.385 -3.842 6.437 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.513 -4.180 7.904 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.601 -5.425 4.366 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.789 -3.888 7.679 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.677 -5.569 3.058 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.867 -4.028 6.376 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.815 -4.867 4.061 1.00 0.00 H new ATOM 123 N GLU A 10 0.551 -8.110 7.078 1.00 0.00 N ATOM 124 CA GLU A 10 1.374 -9.203 7.584 1.00 0.00 C ATOM 125 C GLU A 10 0.697 -9.912 8.758 1.00 0.00 C ATOM 126 O GLU A 10 1.315 -10.137 9.800 1.00 0.00 O ATOM 127 CB GLU A 10 2.754 -8.695 8.000 1.00 0.00 C ATOM 128 CG GLU A 10 3.439 -7.851 6.936 1.00 0.00 C ATOM 129 CD GLU A 10 3.687 -8.619 5.652 1.00 0.00 C ATOM 130 OE1 GLU A 10 3.635 -9.865 5.687 1.00 0.00 O ATOM 131 OE2 GLU A 10 3.931 -7.972 4.612 1.00 0.00 O ATOM 0 H GLU A 10 0.051 -8.330 6.217 1.00 0.00 H new ATOM 0 HA GLU A 10 1.495 -9.924 6.776 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.655 -8.105 8.911 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.389 -9.548 8.239 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.824 -6.977 6.719 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.389 -7.484 7.325 1.00 0.00 H new ATOM 138 N LYS A 11 -0.570 -10.288 8.572 1.00 0.00 N ATOM 139 CA LYS A 11 -1.324 -10.996 9.592 1.00 0.00 C ATOM 140 C LYS A 11 -1.492 -10.183 10.874 1.00 0.00 C ATOM 141 O LYS A 11 -1.915 -10.718 11.899 1.00 0.00 O ATOM 142 CB LYS A 11 -0.639 -12.321 9.882 1.00 0.00 C ATOM 143 CG LYS A 11 -1.014 -13.410 8.895 1.00 0.00 C ATOM 144 CD LYS A 11 -0.079 -14.605 9.000 1.00 0.00 C ATOM 145 CE LYS A 11 -0.429 -15.677 7.981 1.00 0.00 C ATOM 146 NZ LYS A 11 0.753 -16.507 7.619 1.00 0.00 N ATOM 0 H LYS A 11 -1.093 -10.109 7.715 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.330 -11.169 9.208 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.441 -12.177 9.863 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.900 -12.646 10.889 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.039 -13.732 9.079 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.982 -13.010 7.881 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.950 -14.278 8.847 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.134 -15.024 10.005 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.213 -16.318 8.384 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.831 -15.207 7.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.472 -17.226 6.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.492 -15.899 7.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.122 -16.976 8.471 1.00 0.00 H new ATOM 160 N VAL A 12 -1.195 -8.890 10.812 1.00 0.00 N ATOM 161 CA VAL A 12 -1.352 -8.022 11.957 1.00 0.00 C ATOM 162 C VAL A 12 -2.248 -6.856 11.572 1.00 0.00 C ATOM 163 O VAL A 12 -2.152 -6.340 10.461 1.00 0.00 O ATOM 164 CB VAL A 12 0.004 -7.507 12.483 1.00 0.00 C ATOM 165 CG1 VAL A 12 -0.194 -6.483 13.592 1.00 0.00 C ATOM 166 CG2 VAL A 12 0.857 -8.668 12.969 1.00 0.00 C ATOM 0 H VAL A 12 -0.844 -8.425 9.975 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.808 -8.595 12.764 1.00 0.00 H new ATOM 0 HB VAL A 12 0.524 -7.014 11.662 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.777 -6.136 13.945 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.764 -5.637 13.208 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.737 -6.942 14.418 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.811 -8.290 13.337 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.338 -9.189 13.774 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.035 -9.359 12.145 1.00 0.00 H new ATOM 176 N SER A 13 -3.143 -6.467 12.468 1.00 0.00 N ATOM 177 CA SER A 13 -4.069 -5.382 12.177 1.00 0.00 C ATOM 178 C SER A 13 -3.626 -4.074 12.810 1.00 0.00 C ATOM 179 O SER A 13 -3.037 -4.050 13.891 1.00 0.00 O ATOM 180 CB SER A 13 -5.476 -5.743 12.656 1.00 0.00 C ATOM 181 OG SER A 13 -5.813 -7.072 12.298 1.00 0.00 O ATOM 0 H SER A 13 -3.248 -6.882 13.394 1.00 0.00 H new ATOM 0 HA SER A 13 -4.078 -5.242 11.096 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.535 -5.629 13.738 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.199 -5.052 12.223 1.00 0.00 H new ATOM 0 HG SER A 13 -6.716 -7.278 12.617 1.00 0.00 H new ATOM 187 N GLY A 14 -3.927 -2.990 12.113 1.00 0.00 N ATOM 188 CA GLY A 14 -3.580 -1.668 12.581 1.00 0.00 C ATOM 189 C GLY A 14 -4.294 -0.602 11.779 1.00 0.00 C ATOM 190 O GLY A 14 -5.054 -0.920 10.865 1.00 0.00 O ATOM 0 H GLY A 14 -4.414 -3.006 11.217 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.842 -1.571 13.635 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.502 -1.523 12.506 1.00 0.00 H new ATOM 194 N ILE A 15 -4.060 0.660 12.108 1.00 0.00 N ATOM 195 CA ILE A 15 -4.704 1.746 11.390 1.00 0.00 C ATOM 196 C ILE A 15 -3.809 2.275 10.276 1.00 0.00 C ATOM 197 O ILE A 15 -2.633 2.568 10.485 1.00 0.00 O ATOM 198 CB ILE A 15 -5.121 2.885 12.342 1.00 0.00 C ATOM 199 CG1 ILE A 15 -6.368 2.461 13.112 1.00 0.00 C ATOM 200 CG2 ILE A 15 -5.384 4.176 11.574 1.00 0.00 C ATOM 201 CD1 ILE A 15 -6.133 1.299 14.050 1.00 0.00 C ATOM 0 H ILE A 15 -3.436 0.954 12.859 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.610 1.343 10.937 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.306 3.078 13.040 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.738 3.311 13.685 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.150 2.192 12.402 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.676 4.961 12.271 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.478 4.477 11.047 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.186 4.014 10.854 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.062 1.052 14.563 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.793 0.434 13.480 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.374 1.571 14.784 1.00 0.00 H new ATOM 213 N ILE A 16 -4.389 2.375 9.088 1.00 0.00 N ATOM 214 CA ILE A 16 -3.677 2.844 7.916 1.00 0.00 C ATOM 215 C ILE A 16 -4.023 4.301 7.613 1.00 0.00 C ATOM 216 O ILE A 16 -5.190 4.648 7.427 1.00 0.00 O ATOM 217 CB ILE A 16 -4.026 1.945 6.701 1.00 0.00 C ATOM 218 CG1 ILE A 16 -2.852 1.025 6.377 1.00 0.00 C ATOM 219 CG2 ILE A 16 -4.424 2.772 5.481 1.00 0.00 C ATOM 220 CD1 ILE A 16 -3.041 0.206 5.118 1.00 0.00 C ATOM 0 H ILE A 16 -5.364 2.133 8.914 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.606 2.787 8.112 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.889 1.335 6.969 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.949 1.627 6.274 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.691 0.349 7.217 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.661 2.106 4.651 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.298 3.377 5.721 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.598 3.424 5.198 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.164 -0.421 4.957 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.924 -0.424 5.223 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.171 0.873 4.266 1.00 0.00 H new ATOM 232 N ALA A 17 -2.999 5.143 7.559 1.00 0.00 N ATOM 233 CA ALA A 17 -3.187 6.558 7.272 1.00 0.00 C ATOM 234 C ALA A 17 -2.401 6.965 6.032 1.00 0.00 C ATOM 235 O ALA A 17 -1.294 6.482 5.801 1.00 0.00 O ATOM 236 CB ALA A 17 -2.769 7.403 8.465 1.00 0.00 C ATOM 0 H ALA A 17 -2.028 4.869 7.711 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.246 6.729 7.079 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.916 8.458 8.233 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.374 7.134 9.331 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.717 7.224 8.687 1.00 0.00 H new ATOM 242 N ILE A 18 -2.981 7.854 5.236 1.00 0.00 N ATOM 243 CA ILE A 18 -2.334 8.322 4.021 1.00 0.00 C ATOM 244 C ILE A 18 -1.700 9.691 4.243 1.00 0.00 C ATOM 245 O ILE A 18 -2.398 10.692 4.409 1.00 0.00 O ATOM 246 CB ILE A 18 -3.346 8.375 2.849 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.240 7.105 2.004 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.134 9.609 1.983 1.00 0.00 C ATOM 249 CD1 ILE A 18 -4.476 6.824 1.178 1.00 0.00 C ATOM 0 H ILE A 18 -3.898 8.264 5.411 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.545 7.617 3.761 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.348 8.438 3.273 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.380 7.191 1.339 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.051 6.256 2.661 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.861 9.613 1.171 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.262 10.506 2.590 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.126 9.593 1.567 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.330 5.909 0.604 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.335 6.705 1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.654 7.655 0.496 1.00 0.00 H new ATOM 261 N ASN A 19 -0.371 9.729 4.242 1.00 0.00 N ATOM 262 CA ASN A 19 0.354 10.976 4.441 1.00 0.00 C ATOM 263 C ASN A 19 0.683 11.628 3.105 1.00 0.00 C ATOM 264 O ASN A 19 1.528 11.139 2.355 1.00 0.00 O ATOM 265 CB ASN A 19 1.640 10.723 5.230 1.00 0.00 C ATOM 266 CG ASN A 19 2.278 12.008 5.724 1.00 0.00 C ATOM 267 OD1 ASN A 19 1.687 12.744 6.514 1.00 0.00 O ATOM 268 ND2 ASN A 19 3.490 12.285 5.258 1.00 0.00 N ATOM 0 H ASN A 19 0.223 8.911 4.106 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.283 11.653 5.010 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.420 10.079 6.082 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.350 10.187 4.600 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.968 13.136 5.554 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.943 11.647 4.604 1.00 0.00 H new ATOM 275 N GLU A 20 0.016 12.736 2.817 1.00 0.00 N ATOM 276 CA GLU A 20 0.240 13.462 1.575 1.00 0.00 C ATOM 277 C GLU A 20 0.998 14.761 1.834 1.00 0.00 C ATOM 278 O GLU A 20 1.402 15.452 0.898 1.00 0.00 O ATOM 279 CB GLU A 20 -1.091 13.763 0.885 1.00 0.00 C ATOM 280 CG GLU A 20 -1.870 12.515 0.497 1.00 0.00 C ATOM 281 CD GLU A 20 -3.152 12.835 -0.247 1.00 0.00 C ATOM 282 OE1 GLU A 20 -3.555 14.017 -0.259 1.00 0.00 O ATOM 283 OE2 GLU A 20 -3.755 11.902 -0.820 1.00 0.00 O ATOM 0 H GLU A 20 -0.686 13.153 3.428 1.00 0.00 H new ATOM 0 HA GLU A 20 0.844 12.833 0.921 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.705 14.373 1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.901 14.356 -0.010 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.242 11.878 -0.126 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.108 11.946 1.396 1.00 0.00 H new ATOM 290 N ASP A 21 1.191 15.090 3.110 1.00 0.00 N ATOM 291 CA ASP A 21 1.901 16.304 3.487 1.00 0.00 C ATOM 292 C ASP A 21 3.313 16.316 2.914 1.00 0.00 C ATOM 293 O ASP A 21 3.929 17.372 2.781 1.00 0.00 O ATOM 294 CB ASP A 21 1.955 16.438 5.011 1.00 0.00 C ATOM 295 CG ASP A 21 0.588 16.679 5.619 1.00 0.00 C ATOM 296 OD1 ASP A 21 -0.344 17.036 4.867 1.00 0.00 O ATOM 297 OD2 ASP A 21 0.448 16.511 6.850 1.00 0.00 O ATOM 0 H ASP A 21 0.864 14.531 3.898 1.00 0.00 H new ATOM 0 HA ASP A 21 1.356 17.152 3.073 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.385 15.532 5.438 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.618 17.261 5.277 1.00 0.00 H new ATOM 302 N VAL A 22 3.820 15.137 2.569 1.00 0.00 N ATOM 303 CA VAL A 22 5.150 15.024 2.008 1.00 0.00 C ATOM 304 C VAL A 22 5.087 14.937 0.486 1.00 0.00 C ATOM 305 O VAL A 22 4.079 15.294 -0.123 1.00 0.00 O ATOM 306 CB VAL A 22 5.905 13.805 2.594 1.00 0.00 C ATOM 307 CG1 VAL A 22 5.621 12.533 1.805 1.00 0.00 C ATOM 308 CG2 VAL A 22 7.402 14.081 2.665 1.00 0.00 C ATOM 0 H VAL A 22 3.326 14.250 2.670 1.00 0.00 H new ATOM 0 HA VAL A 22 5.704 15.922 2.280 1.00 0.00 H new ATOM 0 HB VAL A 22 5.537 13.646 3.608 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.169 11.701 2.247 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.552 12.319 1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.938 12.668 0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.913 13.212 3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.783 14.282 1.664 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.583 14.946 3.303 1.00 0.00 H new ATOM 318 N SER A 23 6.164 14.463 -0.121 1.00 0.00 N ATOM 319 CA SER A 23 6.223 14.333 -1.570 1.00 0.00 C ATOM 320 C SER A 23 7.423 13.488 -1.996 1.00 0.00 C ATOM 321 O SER A 23 8.571 13.890 -1.807 1.00 0.00 O ATOM 322 CB SER A 23 6.300 15.714 -2.225 1.00 0.00 C ATOM 323 OG SER A 23 6.864 16.667 -1.341 1.00 0.00 O ATOM 0 H SER A 23 7.008 14.162 0.366 1.00 0.00 H new ATOM 0 HA SER A 23 5.313 13.831 -1.900 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.900 15.656 -3.133 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.302 16.035 -2.522 1.00 0.00 H new ATOM 0 HG SER A 23 6.904 17.540 -1.784 1.00 0.00 H new ATOM 329 N PRO A 24 7.177 12.298 -2.579 1.00 0.00 N ATOM 330 CA PRO A 24 5.827 11.776 -2.826 1.00 0.00 C ATOM 331 C PRO A 24 5.124 11.362 -1.536 1.00 0.00 C ATOM 332 O PRO A 24 5.772 11.004 -0.552 1.00 0.00 O ATOM 333 CB PRO A 24 6.061 10.549 -3.721 1.00 0.00 C ATOM 334 CG PRO A 24 7.495 10.616 -4.136 1.00 0.00 C ATOM 335 CD PRO A 24 8.206 11.364 -3.047 1.00 0.00 C ATOM 0 HA PRO A 24 5.183 12.529 -3.280 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.853 9.625 -3.181 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.401 10.566 -4.589 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.912 9.617 -4.260 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.601 11.126 -5.093 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.543 10.699 -2.251 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.087 11.885 -3.421 1.00 0.00 H new ATOM 343 N ALA A 25 3.795 11.404 -1.549 1.00 0.00 N ATOM 344 CA ALA A 25 3.003 11.025 -0.381 1.00 0.00 C ATOM 345 C ALA A 25 3.383 9.624 0.096 1.00 0.00 C ATOM 346 O ALA A 25 4.148 8.923 -0.567 1.00 0.00 O ATOM 347 CB ALA A 25 1.518 11.087 -0.706 1.00 0.00 C ATOM 0 H ALA A 25 3.243 11.697 -2.355 1.00 0.00 H new ATOM 0 HA ALA A 25 3.215 11.731 0.422 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.941 10.802 0.174 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.252 12.102 -1.001 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.296 10.401 -1.524 1.00 0.00 H new ATOM 353 N GLU A 26 2.855 9.222 1.246 1.00 0.00 N ATOM 354 CA GLU A 26 3.156 7.904 1.799 1.00 0.00 C ATOM 355 C GLU A 26 1.946 7.305 2.510 1.00 0.00 C ATOM 356 O GLU A 26 1.011 8.015 2.883 1.00 0.00 O ATOM 357 CB GLU A 26 4.333 7.998 2.771 1.00 0.00 C ATOM 358 CG GLU A 26 5.616 8.498 2.127 1.00 0.00 C ATOM 359 CD GLU A 26 6.788 8.511 3.089 1.00 0.00 C ATOM 360 OE1 GLU A 26 6.558 8.357 4.307 1.00 0.00 O ATOM 361 OE2 GLU A 26 7.936 8.676 2.625 1.00 0.00 O ATOM 0 H GLU A 26 2.220 9.785 1.812 1.00 0.00 H new ATOM 0 HA GLU A 26 3.419 7.248 0.969 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.064 8.664 3.591 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.514 7.015 3.206 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.859 7.866 1.273 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.456 9.505 1.742 1.00 0.00 H new ATOM 368 N LEU A 27 1.979 5.988 2.699 1.00 0.00 N ATOM 369 CA LEU A 27 0.898 5.272 3.371 1.00 0.00 C ATOM 370 C LEU A 27 1.402 4.669 4.680 1.00 0.00 C ATOM 371 O LEU A 27 2.166 3.703 4.674 1.00 0.00 O ATOM 372 CB LEU A 27 0.346 4.177 2.449 1.00 0.00 C ATOM 373 CG LEU A 27 -0.664 3.213 3.083 1.00 0.00 C ATOM 374 CD1 LEU A 27 0.049 2.157 3.915 1.00 0.00 C ATOM 375 CD2 LEU A 27 -1.679 3.968 3.928 1.00 0.00 C ATOM 0 H LEU A 27 2.748 5.392 2.394 1.00 0.00 H new ATOM 0 HA LEU A 27 0.094 5.971 3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.127 4.656 1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.184 3.594 2.067 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.201 2.710 2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.686 1.484 4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.726 1.588 3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.618 2.642 4.708 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.384 3.262 4.367 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.162 4.506 4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.219 4.678 3.301 1.00 0.00 H new ATOM 387 N THR A 28 0.992 5.258 5.799 1.00 0.00 N ATOM 388 CA THR A 28 1.412 4.813 7.103 1.00 0.00 C ATOM 389 C THR A 28 0.491 3.732 7.665 1.00 0.00 C ATOM 390 O THR A 28 -0.717 3.741 7.426 1.00 0.00 O ATOM 391 CB THR A 28 1.426 6.019 8.028 1.00 0.00 C ATOM 392 OG1 THR A 28 1.312 7.223 7.289 1.00 0.00 O ATOM 393 CG2 THR A 28 2.676 6.114 8.853 1.00 0.00 C ATOM 0 H THR A 28 0.359 6.057 5.816 1.00 0.00 H new ATOM 0 HA THR A 28 2.405 4.370 7.023 1.00 0.00 H new ATOM 0 HB THR A 28 0.574 5.882 8.693 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.321 7.986 7.904 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.624 6.996 9.492 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.772 5.222 9.472 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.541 6.193 8.195 1.00 0.00 H new ATOM 401 N TRP A 29 1.078 2.814 8.424 1.00 0.00 N ATOM 402 CA TRP A 29 0.335 1.730 9.043 1.00 0.00 C ATOM 403 C TRP A 29 0.743 1.565 10.500 1.00 0.00 C ATOM 404 O TRP A 29 1.849 1.115 10.795 1.00 0.00 O ATOM 405 CB TRP A 29 0.583 0.418 8.304 1.00 0.00 C ATOM 406 CG TRP A 29 -0.173 -0.727 8.896 1.00 0.00 C ATOM 407 CD1 TRP A 29 -1.512 -0.773 9.134 1.00 0.00 C ATOM 408 CD2 TRP A 29 0.359 -1.979 9.345 1.00 0.00 C ATOM 409 NE1 TRP A 29 -1.854 -1.985 9.685 1.00 0.00 N ATOM 410 CE2 TRP A 29 -0.722 -2.739 9.823 1.00 0.00 C ATOM 411 CE3 TRP A 29 1.642 -2.535 9.384 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -0.563 -4.022 10.330 1.00 0.00 C ATOM 413 CZ3 TRP A 29 1.797 -3.815 9.889 1.00 0.00 C ATOM 414 CH2 TRP A 29 0.697 -4.546 10.355 1.00 0.00 C ATOM 0 H TRP A 29 2.078 2.802 8.625 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.725 1.980 8.990 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.298 0.535 7.258 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.649 0.192 8.321 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.206 0.027 8.921 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.796 -2.274 9.947 1.00 0.00 H new ATOM 0 HE3 TRP A 29 2.495 -1.977 9.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.409 -4.587 10.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.782 -4.257 9.924 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.849 -5.543 10.741 1.00 0.00 H new ATOM 425 N ARG A 30 -0.155 1.912 11.409 1.00 0.00 N ATOM 426 CA ARG A 30 0.126 1.776 12.833 1.00 0.00 C ATOM 427 C ARG A 30 -0.576 0.542 13.386 1.00 0.00 C ATOM 428 O ARG A 30 -1.774 0.365 13.183 1.00 0.00 O ATOM 429 CB ARG A 30 -0.326 3.026 13.591 1.00 0.00 C ATOM 430 CG ARG A 30 0.066 3.022 15.059 1.00 0.00 C ATOM 431 CD ARG A 30 -0.493 4.232 15.789 1.00 0.00 C ATOM 432 NE ARG A 30 0.009 5.486 15.232 1.00 0.00 N ATOM 433 CZ ARG A 30 -0.376 6.690 15.652 1.00 0.00 C ATOM 434 NH1 ARG A 30 -1.265 6.806 16.630 1.00 0.00 N ATOM 435 NH2 ARG A 30 0.130 7.779 15.091 1.00 0.00 N ATOM 0 H ARG A 30 -1.078 2.287 11.191 1.00 0.00 H new ATOM 0 HA ARG A 30 1.202 1.662 12.967 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.102 3.906 13.112 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.409 3.116 13.513 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.299 2.110 15.532 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.152 3.013 15.146 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.581 4.219 15.731 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.229 4.173 16.845 1.00 0.00 H new ATOM 0 HE ARG A 30 0.694 5.437 14.478 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.657 5.971 17.064 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.556 7.731 16.948 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.813 7.695 14.339 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.164 8.702 15.412 1.00 0.00 H new ATOM 449 N SER A 31 0.170 -0.316 14.078 1.00 0.00 N ATOM 450 CA SER A 31 -0.401 -1.530 14.638 1.00 0.00 C ATOM 451 C SER A 31 -1.496 -1.201 15.639 1.00 0.00 C ATOM 452 O SER A 31 -1.574 -0.084 16.150 1.00 0.00 O ATOM 453 CB SER A 31 0.689 -2.372 15.304 1.00 0.00 C ATOM 454 OG SER A 31 1.615 -1.554 15.997 1.00 0.00 O ATOM 0 H SER A 31 1.166 -0.191 14.262 1.00 0.00 H new ATOM 0 HA SER A 31 -0.843 -2.105 13.824 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.234 -3.079 15.998 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.212 -2.959 14.549 1.00 0.00 H new ATOM 0 HG SER A 31 2.271 -1.195 15.364 1.00 0.00 H new ATOM 460 N THR A 32 -2.334 -2.188 15.922 1.00 0.00 N ATOM 461 CA THR A 32 -3.417 -2.027 16.864 1.00 0.00 C ATOM 462 C THR A 32 -2.864 -1.695 18.241 1.00 0.00 C ATOM 463 O THR A 32 -3.487 -0.978 19.027 1.00 0.00 O ATOM 464 CB THR A 32 -4.214 -3.327 16.902 1.00 0.00 C ATOM 465 OG1 THR A 32 -5.267 -3.303 15.956 1.00 0.00 O ATOM 466 CG2 THR A 32 -4.810 -3.638 18.248 1.00 0.00 C ATOM 0 H THR A 32 -2.278 -3.117 15.504 1.00 0.00 H new ATOM 0 HA THR A 32 -4.067 -1.207 16.558 1.00 0.00 H new ATOM 0 HB THR A 32 -3.489 -4.105 16.665 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.916 -3.531 15.070 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.361 -4.577 18.194 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.014 -3.727 18.987 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.488 -2.836 18.540 1.00 0.00 H new ATOM 474 N ASP A 33 -1.689 -2.232 18.517 1.00 0.00 N ATOM 475 CA ASP A 33 -1.025 -2.019 19.794 1.00 0.00 C ATOM 476 C ASP A 33 -0.509 -0.591 19.910 1.00 0.00 C ATOM 477 O ASP A 33 -0.460 -0.022 21.000 1.00 0.00 O ATOM 478 CB ASP A 33 0.130 -3.008 19.967 1.00 0.00 C ATOM 479 CG ASP A 33 0.741 -2.947 21.353 1.00 0.00 C ATOM 480 OD1 ASP A 33 0.199 -3.602 22.268 1.00 0.00 O ATOM 481 OD2 ASP A 33 1.760 -2.244 21.523 1.00 0.00 O ATOM 0 H ASP A 33 -1.170 -2.824 17.869 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.757 -2.186 20.585 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.229 -4.019 19.776 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.899 -2.797 19.224 1.00 0.00 H new ATOM 486 N GLY A 34 -0.120 -0.026 18.779 1.00 0.00 N ATOM 487 CA GLY A 34 0.397 1.327 18.761 1.00 0.00 C ATOM 488 C GLY A 34 1.869 1.377 19.105 1.00 0.00 C ATOM 489 O GLY A 34 2.374 2.399 19.566 1.00 0.00 O ATOM 0 H GLY A 34 -0.153 -0.482 17.867 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.241 1.761 17.774 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.162 1.938 19.470 1.00 0.00 H new ATOM 493 N ASP A 35 2.555 0.263 18.880 1.00 0.00 N ATOM 494 CA ASP A 35 3.980 0.171 19.167 1.00 0.00 C ATOM 495 C ASP A 35 4.794 -0.004 17.888 1.00 0.00 C ATOM 496 O ASP A 35 5.994 0.260 17.865 1.00 0.00 O ATOM 497 CB ASP A 35 4.255 -0.992 20.122 1.00 0.00 C ATOM 498 CG ASP A 35 5.704 -1.048 20.563 1.00 0.00 C ATOM 499 OD1 ASP A 35 6.427 -0.051 20.361 1.00 0.00 O ATOM 500 OD2 ASP A 35 6.118 -2.093 21.111 1.00 0.00 O ATOM 0 H ASP A 35 2.146 -0.590 18.499 1.00 0.00 H new ATOM 0 HA ASP A 35 4.285 1.105 19.640 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.615 -0.897 20.999 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.990 -1.930 19.634 1.00 0.00 H new ATOM 505 N LYS A 36 4.132 -0.446 16.822 1.00 0.00 N ATOM 506 CA LYS A 36 4.797 -0.652 15.542 1.00 0.00 C ATOM 507 C LYS A 36 4.098 0.135 14.439 1.00 0.00 C ATOM 508 O LYS A 36 2.887 0.024 14.256 1.00 0.00 O ATOM 509 CB LYS A 36 4.827 -2.140 15.189 1.00 0.00 C ATOM 510 CG LYS A 36 6.190 -2.782 15.389 1.00 0.00 C ATOM 511 CD LYS A 36 6.188 -4.239 14.958 1.00 0.00 C ATOM 512 CE LYS A 36 7.515 -4.913 15.267 1.00 0.00 C ATOM 513 NZ LYS A 36 7.462 -5.688 16.537 1.00 0.00 N ATOM 0 H LYS A 36 3.136 -0.668 16.821 1.00 0.00 H new ATOM 0 HA LYS A 36 5.822 -0.291 15.629 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.093 -2.665 15.800 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.524 -2.265 14.149 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.939 -2.234 14.818 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.476 -2.712 16.439 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.382 -4.769 15.466 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.986 -4.303 13.889 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.784 -5.578 14.447 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.298 -4.158 15.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.386 -6.132 16.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.231 -5.049 17.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.732 -6.425 16.464 1.00 0.00 H new ATOM 527 N VAL A 37 4.872 0.929 13.709 1.00 0.00 N ATOM 528 CA VAL A 37 4.325 1.735 12.626 1.00 0.00 C ATOM 529 C VAL A 37 5.100 1.516 11.331 1.00 0.00 C ATOM 530 O VAL A 37 6.318 1.682 11.289 1.00 0.00 O ATOM 531 CB VAL A 37 4.348 3.235 12.976 1.00 0.00 C ATOM 532 CG1 VAL A 37 3.606 4.042 11.920 1.00 0.00 C ATOM 533 CG2 VAL A 37 3.750 3.471 14.355 1.00 0.00 C ATOM 0 H VAL A 37 5.877 1.032 13.847 1.00 0.00 H new ATOM 0 HA VAL A 37 3.292 1.417 12.486 1.00 0.00 H new ATOM 0 HB VAL A 37 5.385 3.569 12.993 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.633 5.099 12.184 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.083 3.898 10.951 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.570 3.707 11.868 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.775 4.536 14.585 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.718 3.121 14.369 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.328 2.925 15.101 1.00 0.00 H new ATOM 543 N HIS A 38 4.382 1.144 10.278 1.00 0.00 N ATOM 544 CA HIS A 38 5.001 0.905 8.978 1.00 0.00 C ATOM 545 C HIS A 38 4.632 2.001 7.992 1.00 0.00 C ATOM 546 O HIS A 38 3.509 2.495 7.979 1.00 0.00 O ATOM 547 CB HIS A 38 4.589 -0.450 8.414 1.00 0.00 C ATOM 548 CG HIS A 38 5.157 -0.742 7.057 1.00 0.00 C ATOM 549 ND1 HIS A 38 5.968 -1.827 6.795 1.00 0.00 N ATOM 550 CD2 HIS A 38 5.020 -0.085 5.880 1.00 0.00 C ATOM 551 CE1 HIS A 38 6.304 -1.824 5.516 1.00 0.00 C ATOM 552 NE2 HIS A 38 5.743 -0.779 4.940 1.00 0.00 N ATOM 0 H HIS A 38 3.372 1.001 10.298 1.00 0.00 H new ATOM 0 HA HIS A 38 6.081 0.910 9.126 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.905 -1.231 9.105 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.501 -0.494 8.359 1.00 0.00 H new ATOM 0 HD1 HIS A 38 6.262 -2.523 7.481 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.449 0.816 5.712 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.932 -2.554 5.026 1.00 0.00 H new ATOM 561 N THR A 39 5.594 2.368 7.170 1.00 0.00 N ATOM 562 CA THR A 39 5.391 3.406 6.167 1.00 0.00 C ATOM 563 C THR A 39 5.610 2.852 4.763 1.00 0.00 C ATOM 564 O THR A 39 6.578 2.135 4.513 1.00 0.00 O ATOM 565 CB THR A 39 6.334 4.582 6.419 1.00 0.00 C ATOM 566 OG1 THR A 39 6.286 4.984 7.776 1.00 0.00 O ATOM 567 CG2 THR A 39 6.019 5.796 5.570 1.00 0.00 C ATOM 0 H THR A 39 6.530 1.963 7.173 1.00 0.00 H new ATOM 0 HA THR A 39 4.362 3.756 6.244 1.00 0.00 H new ATOM 0 HB THR A 39 7.325 4.217 6.150 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.898 5.737 7.916 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.726 6.593 5.799 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.098 5.533 4.515 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.006 6.137 5.784 1.00 0.00 H new ATOM 575 N VAL A 40 4.703 3.187 3.850 1.00 0.00 N ATOM 576 CA VAL A 40 4.799 2.718 2.473 1.00 0.00 C ATOM 577 C VAL A 40 4.848 3.886 1.494 1.00 0.00 C ATOM 578 O VAL A 40 4.171 4.896 1.682 1.00 0.00 O ATOM 579 CB VAL A 40 3.609 1.815 2.100 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.846 1.145 0.757 1.00 0.00 C ATOM 581 CG2 VAL A 40 3.360 0.780 3.185 1.00 0.00 C ATOM 0 H VAL A 40 3.895 3.780 4.039 1.00 0.00 H new ATOM 0 HA VAL A 40 5.723 2.144 2.404 1.00 0.00 H new ATOM 0 HB VAL A 40 2.719 2.438 2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.994 0.511 0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.966 1.907 -0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.748 0.536 0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.515 0.152 2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.248 0.160 3.307 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.138 1.285 4.125 1.00 0.00 H new ATOM 591 N VAL A 41 5.649 3.736 0.444 1.00 0.00 N ATOM 592 CA VAL A 41 5.777 4.774 -0.568 1.00 0.00 C ATOM 593 C VAL A 41 4.823 4.511 -1.728 1.00 0.00 C ATOM 594 O VAL A 41 4.920 3.490 -2.408 1.00 0.00 O ATOM 595 CB VAL A 41 7.216 4.865 -1.108 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.367 6.061 -2.035 1.00 0.00 C ATOM 597 CG2 VAL A 41 8.212 4.941 0.039 1.00 0.00 C ATOM 0 H VAL A 41 6.218 2.907 0.273 1.00 0.00 H new ATOM 0 HA VAL A 41 5.524 5.721 -0.091 1.00 0.00 H new ATOM 0 HB VAL A 41 7.425 3.963 -1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.391 6.107 -2.406 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.681 5.958 -2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.137 6.976 -1.489 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.224 5.005 -0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.004 5.824 0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.122 4.049 0.658 1.00 0.00 H new ATOM 607 N LEU A 42 3.895 5.435 -1.941 1.00 0.00 N ATOM 608 CA LEU A 42 2.912 5.305 -3.009 1.00 0.00 C ATOM 609 C LEU A 42 3.516 5.631 -4.375 1.00 0.00 C ATOM 610 O LEU A 42 2.901 5.371 -5.409 1.00 0.00 O ATOM 611 CB LEU A 42 1.713 6.211 -2.732 1.00 0.00 C ATOM 612 CG LEU A 42 1.144 6.116 -1.312 1.00 0.00 C ATOM 613 CD1 LEU A 42 -0.159 6.892 -1.206 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.935 4.659 -0.914 1.00 0.00 C ATOM 0 H LEU A 42 3.802 6.286 -1.386 1.00 0.00 H new ATOM 0 HA LEU A 42 2.581 4.267 -3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.006 7.244 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.922 5.968 -3.441 1.00 0.00 H new ATOM 0 HG LEU A 42 1.864 6.559 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.548 6.813 -0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.021 7.940 -1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.886 6.480 -1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.531 4.612 0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.236 4.189 -1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.889 4.132 -0.948 1.00 0.00 H new ATOM 626 N SER A 43 4.719 6.198 -4.378 1.00 0.00 N ATOM 627 CA SER A 43 5.393 6.550 -5.620 1.00 0.00 C ATOM 628 C SER A 43 5.985 5.313 -6.280 1.00 0.00 C ATOM 629 O SER A 43 6.187 5.281 -7.494 1.00 0.00 O ATOM 630 CB SER A 43 6.494 7.579 -5.356 1.00 0.00 C ATOM 631 OG SER A 43 6.708 8.400 -6.490 1.00 0.00 O ATOM 0 H SER A 43 5.245 6.423 -3.534 1.00 0.00 H new ATOM 0 HA SER A 43 4.656 6.986 -6.295 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.220 8.198 -4.502 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.420 7.066 -5.094 1.00 0.00 H new ATOM 0 HG SER A 43 5.848 8.607 -6.911 1.00 0.00 H new ATOM 637 N THR A 44 6.262 4.293 -5.475 1.00 0.00 N ATOM 638 CA THR A 44 6.830 3.057 -5.988 1.00 0.00 C ATOM 639 C THR A 44 5.742 2.013 -6.235 1.00 0.00 C ATOM 640 O THR A 44 6.010 0.812 -6.233 1.00 0.00 O ATOM 641 CB THR A 44 7.878 2.506 -5.018 1.00 0.00 C ATOM 642 OG1 THR A 44 8.600 1.442 -5.613 1.00 0.00 O ATOM 643 CG2 THR A 44 7.287 1.989 -3.723 1.00 0.00 C ATOM 0 H THR A 44 6.102 4.300 -4.468 1.00 0.00 H new ATOM 0 HA THR A 44 7.312 3.280 -6.940 1.00 0.00 H new ATOM 0 HB THR A 44 8.529 3.350 -4.789 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.974 0.754 -5.922 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.085 1.614 -3.083 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.763 2.798 -3.213 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.586 1.183 -3.939 1.00 0.00 H new ATOM 651 N ILE A 45 4.514 2.479 -6.445 1.00 0.00 N ATOM 652 CA ILE A 45 3.390 1.585 -6.691 1.00 0.00 C ATOM 653 C ILE A 45 3.005 1.577 -8.164 1.00 0.00 C ATOM 654 O ILE A 45 2.319 2.480 -8.644 1.00 0.00 O ATOM 655 CB ILE A 45 2.161 1.987 -5.853 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.559 2.173 -4.388 1.00 0.00 C ATOM 657 CG2 ILE A 45 1.066 0.938 -5.980 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.194 0.946 -3.771 1.00 0.00 C ATOM 0 H ILE A 45 4.274 3.470 -6.449 1.00 0.00 H new ATOM 0 HA ILE A 45 3.711 0.585 -6.398 1.00 0.00 H new ATOM 0 HB ILE A 45 1.775 2.934 -6.231 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.255 3.008 -4.313 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.674 2.442 -3.811 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.205 1.237 -5.382 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.769 0.847 -7.025 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.439 -0.022 -5.624 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.450 1.152 -2.732 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.492 0.113 -3.814 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.098 0.688 -4.323 1.00 0.00 H new ATOM 670 N ASP A 46 3.450 0.548 -8.876 1.00 0.00 N ATOM 671 CA ASP A 46 3.152 0.412 -10.296 1.00 0.00 C ATOM 672 C ASP A 46 1.649 0.348 -10.529 1.00 0.00 C ATOM 673 O ASP A 46 1.159 0.730 -11.592 1.00 0.00 O ATOM 674 CB ASP A 46 3.812 -0.847 -10.857 1.00 0.00 C ATOM 675 CG ASP A 46 4.230 -0.686 -12.305 1.00 0.00 C ATOM 676 OD1 ASP A 46 4.330 0.470 -12.769 1.00 0.00 O ATOM 677 OD2 ASP A 46 4.459 -1.715 -12.976 1.00 0.00 O ATOM 0 H ASP A 46 4.020 -0.206 -8.492 1.00 0.00 H new ATOM 0 HA ASP A 46 3.549 1.287 -10.810 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.686 -1.094 -10.255 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.120 -1.685 -10.773 1.00 0.00 H new ATOM 682 N LYS A 47 0.919 -0.146 -9.533 1.00 0.00 N ATOM 683 CA LYS A 47 -0.529 -0.268 -9.640 1.00 0.00 C ATOM 684 C LYS A 47 -1.130 -0.778 -8.330 1.00 0.00 C ATOM 685 O LYS A 47 -0.415 -1.284 -7.464 1.00 0.00 O ATOM 686 CB LYS A 47 -0.884 -1.201 -10.811 1.00 0.00 C ATOM 687 CG LYS A 47 -1.828 -2.340 -10.454 1.00 0.00 C ATOM 688 CD LYS A 47 -2.109 -3.226 -11.657 1.00 0.00 C ATOM 689 CE LYS A 47 -3.280 -4.161 -11.399 1.00 0.00 C ATOM 690 NZ LYS A 47 -4.044 -4.449 -12.644 1.00 0.00 N ATOM 0 H LYS A 47 1.306 -0.467 -8.646 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.954 0.716 -9.835 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.337 -0.608 -11.606 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.037 -1.623 -11.213 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.392 -2.938 -9.654 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.765 -1.932 -10.074 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.323 -2.604 -12.526 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.221 -3.811 -11.895 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.912 -5.095 -10.974 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.945 -3.715 -10.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.982 -4.823 -12.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.154 -3.573 -13.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.530 -5.152 -13.212 1.00 0.00 H new ATOM 704 N LEU A 48 -2.445 -0.642 -8.197 1.00 0.00 N ATOM 705 CA LEU A 48 -3.144 -1.090 -6.998 1.00 0.00 C ATOM 706 C LEU A 48 -4.318 -1.996 -7.363 1.00 0.00 C ATOM 707 O LEU A 48 -5.129 -1.660 -8.226 1.00 0.00 O ATOM 708 CB LEU A 48 -3.636 0.111 -6.186 1.00 0.00 C ATOM 709 CG LEU A 48 -4.816 0.875 -6.793 1.00 0.00 C ATOM 710 CD1 LEU A 48 -5.385 1.862 -5.786 1.00 0.00 C ATOM 711 CD2 LEU A 48 -4.388 1.593 -8.064 1.00 0.00 C ATOM 0 H LEU A 48 -3.049 -0.225 -8.905 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.443 -1.662 -6.389 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.922 -0.236 -5.193 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.805 0.804 -6.055 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.596 0.159 -7.050 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.223 2.396 -6.234 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.729 1.323 -4.903 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.612 2.575 -5.498 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.239 2.131 -8.482 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.591 2.299 -7.832 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.027 0.864 -8.790 1.00 0.00 H new ATOM 723 N GLN A 49 -4.401 -3.148 -6.702 1.00 0.00 N ATOM 724 CA GLN A 49 -5.475 -4.101 -6.960 1.00 0.00 C ATOM 725 C GLN A 49 -6.308 -4.340 -5.704 1.00 0.00 C ATOM 726 O GLN A 49 -5.870 -4.047 -4.592 1.00 0.00 O ATOM 727 CB GLN A 49 -4.900 -5.428 -7.462 1.00 0.00 C ATOM 728 CG GLN A 49 -4.401 -5.374 -8.895 1.00 0.00 C ATOM 729 CD GLN A 49 -3.873 -6.710 -9.379 1.00 0.00 C ATOM 730 OE1 GLN A 49 -3.220 -7.440 -8.632 1.00 0.00 O ATOM 731 NE2 GLN A 49 -4.155 -7.039 -10.634 1.00 0.00 N ATOM 0 H GLN A 49 -3.738 -3.443 -5.985 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.122 -3.678 -7.728 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.078 -5.727 -6.811 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.666 -6.199 -7.382 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.213 -5.051 -9.547 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.612 -4.626 -8.973 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.699 -6.404 -11.218 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.827 -7.927 -11.014 1.00 0.00 H new ATOM 740 N ALA A 50 -7.509 -4.876 -5.893 1.00 0.00 N ATOM 741 CA ALA A 50 -8.404 -5.157 -4.777 1.00 0.00 C ATOM 742 C ALA A 50 -9.154 -6.468 -4.992 1.00 0.00 C ATOM 743 O ALA A 50 -9.344 -6.907 -6.126 1.00 0.00 O ATOM 744 CB ALA A 50 -9.387 -4.012 -4.586 1.00 0.00 C ATOM 0 H ALA A 50 -7.885 -5.124 -6.808 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.799 -5.256 -3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.049 -4.236 -3.749 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.839 -3.093 -4.379 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.979 -3.885 -5.493 1.00 0.00 H new ATOM 750 N THR A 51 -9.575 -7.090 -3.895 1.00 0.00 N ATOM 751 CA THR A 51 -10.304 -8.352 -3.965 1.00 0.00 C ATOM 752 C THR A 51 -11.708 -8.141 -4.527 1.00 0.00 C ATOM 753 O THR A 51 -12.317 -7.091 -4.321 1.00 0.00 O ATOM 754 CB THR A 51 -10.387 -8.993 -2.579 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.674 -8.018 -1.593 1.00 0.00 O ATOM 756 CG2 THR A 51 -9.114 -9.700 -2.169 1.00 0.00 C ATOM 0 H THR A 51 -9.424 -6.741 -2.948 1.00 0.00 H new ATOM 0 HA THR A 51 -9.762 -9.019 -4.635 1.00 0.00 H new ATOM 0 HB THR A 51 -11.186 -9.731 -2.649 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.628 -8.047 -1.372 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.241 -10.132 -1.176 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.891 -10.492 -2.884 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.291 -8.986 -2.151 1.00 0.00 H new ATOM 764 N PRO A 52 -12.242 -9.143 -5.248 1.00 0.00 N ATOM 765 CA PRO A 52 -13.582 -9.062 -5.840 1.00 0.00 C ATOM 766 C PRO A 52 -14.685 -9.133 -4.790 1.00 0.00 C ATOM 767 O PRO A 52 -14.457 -9.573 -3.663 1.00 0.00 O ATOM 768 CB PRO A 52 -13.637 -10.284 -6.758 1.00 0.00 C ATOM 769 CG PRO A 52 -12.684 -11.254 -6.154 1.00 0.00 C ATOM 770 CD PRO A 52 -11.584 -10.430 -5.542 1.00 0.00 C ATOM 0 HA PRO A 52 -13.744 -8.116 -6.357 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.644 -10.697 -6.807 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.348 -10.027 -7.777 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -13.177 -11.867 -5.400 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.288 -11.934 -6.909 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.189 -10.895 -4.639 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.746 -10.305 -6.228 1.00 0.00 H new ATOM 778 N ALA A 53 -15.883 -8.697 -5.167 1.00 0.00 N ATOM 779 CA ALA A 53 -17.024 -8.711 -4.259 1.00 0.00 C ATOM 780 C ALA A 53 -17.495 -10.136 -3.971 1.00 0.00 C ATOM 781 O ALA A 53 -18.302 -10.360 -3.068 1.00 0.00 O ATOM 782 CB ALA A 53 -18.165 -7.886 -4.836 1.00 0.00 C ATOM 0 H ALA A 53 -16.089 -8.329 -6.096 1.00 0.00 H new ATOM 0 HA ALA A 53 -16.704 -8.269 -3.315 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -19.011 -7.904 -4.149 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -17.835 -6.857 -4.978 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -18.468 -8.305 -5.796 1.00 0.00 H new ATOM 788 N SER A 54 -16.990 -11.099 -4.740 1.00 0.00 N ATOM 789 CA SER A 54 -17.366 -12.497 -4.558 1.00 0.00 C ATOM 790 C SER A 54 -16.439 -13.199 -3.566 1.00 0.00 C ATOM 791 O SER A 54 -16.607 -14.386 -3.283 1.00 0.00 O ATOM 792 CB SER A 54 -17.336 -13.227 -5.900 1.00 0.00 C ATOM 793 OG SER A 54 -18.337 -12.733 -6.774 1.00 0.00 O ATOM 0 H SER A 54 -16.321 -10.936 -5.493 1.00 0.00 H new ATOM 0 HA SER A 54 -18.378 -12.521 -4.153 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.355 -13.107 -6.361 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.484 -14.295 -5.740 1.00 0.00 H new ATOM 0 HG SER A 54 -18.295 -13.216 -7.626 1.00 0.00 H new ATOM 799 N SER A 55 -15.464 -12.465 -3.039 1.00 0.00 N ATOM 800 CA SER A 55 -14.520 -13.020 -2.082 1.00 0.00 C ATOM 801 C SER A 55 -14.847 -12.549 -0.674 1.00 0.00 C ATOM 802 O SER A 55 -14.725 -11.365 -0.360 1.00 0.00 O ATOM 803 CB SER A 55 -13.093 -12.614 -2.455 1.00 0.00 C ATOM 804 OG SER A 55 -12.737 -11.377 -1.858 1.00 0.00 O ATOM 0 H SER A 55 -15.309 -11.482 -3.261 1.00 0.00 H new ATOM 0 HA SER A 55 -14.598 -14.107 -2.110 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.397 -13.389 -2.135 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.006 -12.536 -3.539 1.00 0.00 H new ATOM 0 HG SER A 55 -13.545 -10.924 -1.538 1.00 0.00 H new ATOM 810 N GLU A 56 -15.258 -13.483 0.174 1.00 0.00 N ATOM 811 CA GLU A 56 -15.595 -13.159 1.552 1.00 0.00 C ATOM 812 C GLU A 56 -14.409 -12.509 2.259 1.00 0.00 C ATOM 813 O GLU A 56 -14.571 -11.850 3.286 1.00 0.00 O ATOM 814 CB GLU A 56 -16.024 -14.420 2.305 1.00 0.00 C ATOM 815 CG GLU A 56 -16.534 -14.145 3.710 1.00 0.00 C ATOM 816 CD GLU A 56 -16.859 -15.414 4.474 1.00 0.00 C ATOM 817 OE1 GLU A 56 -16.646 -16.512 3.920 1.00 0.00 O ATOM 818 OE2 GLU A 56 -17.328 -15.310 5.627 1.00 0.00 O ATOM 0 H GLU A 56 -15.365 -14.468 -0.068 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.424 -12.452 1.542 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.805 -14.925 1.736 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.178 -15.105 2.362 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.783 -13.577 4.260 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.426 -13.522 3.653 1.00 0.00 H new ATOM 825 N LYS A 57 -13.217 -12.698 1.699 1.00 0.00 N ATOM 826 CA LYS A 57 -12.005 -12.126 2.275 1.00 0.00 C ATOM 827 C LYS A 57 -11.654 -10.805 1.600 1.00 0.00 C ATOM 828 O LYS A 57 -11.382 -10.762 0.401 1.00 0.00 O ATOM 829 CB LYS A 57 -10.839 -13.107 2.139 1.00 0.00 C ATOM 830 CG LYS A 57 -11.028 -14.391 2.930 1.00 0.00 C ATOM 831 CD LYS A 57 -9.796 -15.278 2.856 1.00 0.00 C ATOM 832 CE LYS A 57 -10.025 -16.609 3.556 1.00 0.00 C ATOM 833 NZ LYS A 57 -9.693 -16.537 5.006 1.00 0.00 N ATOM 0 H LYS A 57 -13.065 -13.241 0.849 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.189 -11.936 3.332 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.705 -13.355 1.086 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.923 -12.618 2.470 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.242 -14.150 3.971 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.891 -14.933 2.545 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.536 -15.455 1.812 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.950 -14.766 3.314 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.066 -16.908 3.436 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.416 -17.378 3.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.862 -17.463 5.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.693 -16.276 5.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.292 -15.821 5.464 1.00 0.00 H new ATOM 847 N MET A 58 -11.665 -9.728 2.377 1.00 0.00 N ATOM 848 CA MET A 58 -11.350 -8.404 1.853 1.00 0.00 C ATOM 849 C MET A 58 -9.861 -8.107 1.995 1.00 0.00 C ATOM 850 O MET A 58 -9.323 -8.092 3.103 1.00 0.00 O ATOM 851 CB MET A 58 -12.168 -7.334 2.582 1.00 0.00 C ATOM 852 CG MET A 58 -13.613 -7.736 2.838 1.00 0.00 C ATOM 853 SD MET A 58 -14.459 -8.297 1.347 1.00 0.00 S ATOM 854 CE MET A 58 -14.286 -6.858 0.296 1.00 0.00 C ATOM 0 H MET A 58 -11.889 -9.746 3.372 1.00 0.00 H new ATOM 0 HA MET A 58 -11.608 -8.388 0.794 1.00 0.00 H new ATOM 0 HB2 MET A 58 -11.689 -7.110 3.535 1.00 0.00 H new ATOM 0 HB3 MET A 58 -12.154 -6.416 1.994 1.00 0.00 H new ATOM 0 HG2 MET A 58 -13.637 -8.530 3.584 1.00 0.00 H new ATOM 0 HG3 MET A 58 -14.152 -6.887 3.258 1.00 0.00 H new ATOM 0 HE1 MET A 58 -15.153 -6.780 -0.360 1.00 0.00 H new ATOM 0 HE2 MET A 58 -14.216 -5.963 0.914 1.00 0.00 H new ATOM 0 HE3 MET A 58 -13.383 -6.954 -0.307 1.00 0.00 H new ATOM 864 N MET A 59 -9.197 -7.876 0.866 1.00 0.00 N ATOM 865 CA MET A 59 -7.768 -7.585 0.867 1.00 0.00 C ATOM 866 C MET A 59 -7.386 -6.701 -0.317 1.00 0.00 C ATOM 867 O MET A 59 -7.961 -6.816 -1.400 1.00 0.00 O ATOM 868 CB MET A 59 -6.969 -8.889 0.817 1.00 0.00 C ATOM 869 CG MET A 59 -7.338 -9.872 1.916 1.00 0.00 C ATOM 870 SD MET A 59 -6.227 -11.290 1.982 1.00 0.00 S ATOM 871 CE MET A 59 -4.743 -10.527 2.631 1.00 0.00 C ATOM 0 H MET A 59 -9.625 -7.885 -0.060 1.00 0.00 H new ATOM 0 HA MET A 59 -7.532 -7.048 1.786 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.126 -9.364 -0.151 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.906 -8.657 0.890 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.323 -9.359 2.877 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.358 -10.222 1.758 1.00 0.00 H new ATOM 0 HE1 MET A 59 -3.938 -10.619 1.902 1.00 0.00 H new ATOM 0 HE2 MET A 59 -4.933 -9.472 2.830 1.00 0.00 H new ATOM 0 HE3 MET A 59 -4.453 -11.024 3.557 1.00 0.00 H new ATOM 881 N LEU A 60 -6.408 -5.823 -0.107 1.00 0.00 N ATOM 882 CA LEU A 60 -5.947 -4.926 -1.162 1.00 0.00 C ATOM 883 C LEU A 60 -4.501 -5.240 -1.535 1.00 0.00 C ATOM 884 O LEU A 60 -3.647 -5.408 -0.664 1.00 0.00 O ATOM 885 CB LEU A 60 -6.065 -3.468 -0.711 1.00 0.00 C ATOM 886 CG LEU A 60 -7.382 -2.780 -1.072 1.00 0.00 C ATOM 887 CD1 LEU A 60 -7.446 -2.500 -2.565 1.00 0.00 C ATOM 888 CD2 LEU A 60 -8.568 -3.628 -0.636 1.00 0.00 C ATOM 0 H LEU A 60 -5.921 -5.714 0.782 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.576 -5.076 -2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.937 -3.427 0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.245 -2.901 -1.151 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.428 -1.829 -0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.390 -2.010 -2.803 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.618 -1.850 -2.849 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.375 -3.439 -3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.495 -3.121 -0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.527 -4.595 -1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.532 -3.776 0.443 1.00 0.00 H new ATOM 900 N ARG A 61 -4.235 -5.323 -2.834 1.00 0.00 N ATOM 901 CA ARG A 61 -2.892 -5.624 -3.320 1.00 0.00 C ATOM 902 C ARG A 61 -2.196 -4.367 -3.831 1.00 0.00 C ATOM 903 O ARG A 61 -2.831 -3.479 -4.399 1.00 0.00 O ATOM 904 CB ARG A 61 -2.953 -6.668 -4.435 1.00 0.00 C ATOM 905 CG ARG A 61 -3.037 -8.099 -3.929 1.00 0.00 C ATOM 906 CD ARG A 61 -2.766 -9.097 -5.043 1.00 0.00 C ATOM 907 NE ARG A 61 -2.895 -10.478 -4.586 1.00 0.00 N ATOM 908 CZ ARG A 61 -4.062 -11.089 -4.394 1.00 0.00 C ATOM 909 NH1 ARG A 61 -5.200 -10.447 -4.620 1.00 0.00 N ATOM 910 NH2 ARG A 61 -4.089 -12.348 -3.977 1.00 0.00 N ATOM 0 H ARG A 61 -4.929 -5.187 -3.569 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.316 -6.021 -2.484 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.819 -6.463 -5.065 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.069 -6.566 -5.065 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.317 -8.245 -3.124 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.026 -8.280 -3.508 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.461 -8.921 -5.864 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.762 -8.938 -5.436 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.041 -11.005 -4.403 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.184 -9.480 -4.943 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.091 -10.921 -4.471 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.216 -12.847 -3.804 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.983 -12.817 -3.829 1.00 0.00 H new ATOM 924 N LEU A 62 -0.884 -4.306 -3.627 1.00 0.00 N ATOM 925 CA LEU A 62 -0.092 -3.165 -4.070 1.00 0.00 C ATOM 926 C LEU A 62 1.086 -3.628 -4.921 1.00 0.00 C ATOM 927 O LEU A 62 1.963 -4.347 -4.444 1.00 0.00 O ATOM 928 CB LEU A 62 0.409 -2.367 -2.865 1.00 0.00 C ATOM 929 CG LEU A 62 0.328 -0.848 -3.015 1.00 0.00 C ATOM 930 CD1 LEU A 62 -1.122 -0.391 -3.037 1.00 0.00 C ATOM 931 CD2 LEU A 62 1.088 -0.160 -1.892 1.00 0.00 C ATOM 0 H LEU A 62 -0.347 -5.035 -3.157 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.727 -2.521 -4.679 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.168 -2.661 -1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.446 -2.643 -2.672 1.00 0.00 H new ATOM 0 HG LEU A 62 0.790 -0.571 -3.963 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.160 0.693 -3.144 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.638 -0.857 -3.877 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.609 -0.681 -2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.019 0.921 -2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.656 -0.444 -0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.135 -0.463 -1.922 1.00 0.00 H new ATOM 943 N ILE A 63 1.098 -3.212 -6.183 1.00 0.00 N ATOM 944 CA ILE A 63 2.168 -3.589 -7.100 1.00 0.00 C ATOM 945 C ILE A 63 3.322 -2.596 -7.042 1.00 0.00 C ATOM 946 O ILE A 63 3.127 -1.395 -7.226 1.00 0.00 O ATOM 947 CB ILE A 63 1.661 -3.672 -8.554 1.00 0.00 C ATOM 948 CG1 ILE A 63 0.330 -4.426 -8.618 1.00 0.00 C ATOM 949 CG2 ILE A 63 2.701 -4.345 -9.437 1.00 0.00 C ATOM 950 CD1 ILE A 63 0.436 -5.877 -8.210 1.00 0.00 C ATOM 0 H ILE A 63 0.380 -2.615 -6.594 1.00 0.00 H new ATOM 0 HA ILE A 63 2.518 -4.572 -6.783 1.00 0.00 H new ATOM 0 HB ILE A 63 1.497 -2.659 -8.922 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.392 -3.927 -7.971 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.061 -4.371 -9.634 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.330 -4.397 -10.461 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.625 -3.768 -9.415 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.893 -5.353 -9.069 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.545 -6.347 -8.280 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.133 -6.391 -8.872 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.797 -5.941 -7.183 1.00 0.00 H new ATOM 962 N GLY A 64 4.524 -3.103 -6.793 1.00 0.00 N ATOM 963 CA GLY A 64 5.691 -2.242 -6.725 1.00 0.00 C ATOM 964 C GLY A 64 6.176 -1.827 -8.101 1.00 0.00 C ATOM 965 O GLY A 64 5.924 -2.518 -9.088 1.00 0.00 O ATOM 0 H GLY A 64 4.712 -4.093 -6.637 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.451 -1.353 -6.142 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.493 -2.760 -6.200 1.00 0.00 H new ATOM 969 N LYS A 65 6.871 -0.696 -8.168 1.00 0.00 N ATOM 970 CA LYS A 65 7.387 -0.191 -9.436 1.00 0.00 C ATOM 971 C LYS A 65 8.247 -1.238 -10.136 1.00 0.00 C ATOM 972 O LYS A 65 8.877 -2.074 -9.489 1.00 0.00 O ATOM 973 CB LYS A 65 8.197 1.087 -9.210 1.00 0.00 C ATOM 974 CG LYS A 65 7.446 2.349 -9.602 1.00 0.00 C ATOM 975 CD LYS A 65 8.311 3.589 -9.430 1.00 0.00 C ATOM 976 CE LYS A 65 7.564 4.849 -9.835 1.00 0.00 C ATOM 977 NZ LYS A 65 8.013 5.361 -11.159 1.00 0.00 N ATOM 0 H LYS A 65 7.090 -0.112 -7.361 1.00 0.00 H new ATOM 0 HA LYS A 65 6.536 0.036 -10.078 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.477 1.151 -8.159 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.122 1.029 -9.784 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.120 2.272 -10.639 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.548 2.443 -8.992 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.629 3.671 -8.391 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.214 3.491 -10.032 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.495 4.641 -9.870 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.714 5.619 -9.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.479 6.221 -11.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.028 5.584 -11.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.846 4.636 -11.886 1.00 0.00 H new ATOM 991 N VAL A 66 8.265 -1.186 -11.463 1.00 0.00 N ATOM 992 CA VAL A 66 9.042 -2.129 -12.256 1.00 0.00 C ATOM 993 C VAL A 66 9.842 -1.413 -13.340 1.00 0.00 C ATOM 994 O VAL A 66 11.022 -1.698 -13.545 1.00 0.00 O ATOM 995 CB VAL A 66 8.134 -3.182 -12.917 1.00 0.00 C ATOM 996 CG1 VAL A 66 8.966 -4.260 -13.595 1.00 0.00 C ATOM 997 CG2 VAL A 66 7.193 -3.793 -11.890 1.00 0.00 C ATOM 0 H VAL A 66 7.749 -0.499 -12.013 1.00 0.00 H new ATOM 0 HA VAL A 66 9.730 -2.626 -11.572 1.00 0.00 H new ATOM 0 HB VAL A 66 7.533 -2.688 -13.681 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.305 -4.994 -14.056 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.595 -3.806 -14.361 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.596 -4.753 -12.854 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.558 -4.535 -12.374 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.775 -4.272 -11.102 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.570 -3.011 -11.456 1.00 0.00 H new ATOM 1007 N ASP A 67 9.190 -0.484 -14.034 1.00 0.00 N ATOM 1008 CA ASP A 67 9.841 0.270 -15.099 1.00 0.00 C ATOM 1009 C ASP A 67 10.932 1.177 -14.539 1.00 0.00 C ATOM 1010 O ASP A 67 10.660 2.075 -13.744 1.00 0.00 O ATOM 1011 CB ASP A 67 8.811 1.104 -15.863 1.00 0.00 C ATOM 1012 CG ASP A 67 9.411 1.808 -17.064 1.00 0.00 C ATOM 1013 OD1 ASP A 67 10.538 1.446 -17.464 1.00 0.00 O ATOM 1014 OD2 ASP A 67 8.754 2.723 -17.604 1.00 0.00 O ATOM 0 H ASP A 67 8.213 -0.236 -13.878 1.00 0.00 H new ATOM 0 HA ASP A 67 10.303 -0.442 -15.783 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.998 0.458 -16.193 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.377 1.844 -15.191 1.00 0.00 H new ATOM 1019 N GLU A 68 12.169 0.933 -14.962 1.00 0.00 N ATOM 1020 CA GLU A 68 13.304 1.726 -14.505 1.00 0.00 C ATOM 1021 C GLU A 68 13.967 2.449 -15.674 1.00 0.00 C ATOM 1022 O GLU A 68 15.192 2.541 -15.747 1.00 0.00 O ATOM 1023 CB GLU A 68 14.324 0.835 -13.796 1.00 0.00 C ATOM 1024 CG GLU A 68 13.780 0.161 -12.547 1.00 0.00 C ATOM 1025 CD GLU A 68 14.827 -0.661 -11.821 1.00 0.00 C ATOM 1026 OE1 GLU A 68 15.908 -0.894 -12.402 1.00 0.00 O ATOM 1027 OE2 GLU A 68 14.568 -1.070 -10.670 1.00 0.00 O ATOM 0 H GLU A 68 12.410 0.192 -15.621 1.00 0.00 H new ATOM 0 HA GLU A 68 12.935 2.472 -13.801 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.670 0.069 -14.490 1.00 0.00 H new ATOM 0 HB3 GLU A 68 15.192 1.436 -13.526 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.388 0.921 -11.871 1.00 0.00 H new ATOM 0 HG3 GLU A 68 12.945 -0.483 -12.822 1.00 0.00 H new ATOM 1034 N SER A 69 13.148 2.959 -16.588 1.00 0.00 N ATOM 1035 CA SER A 69 13.652 3.673 -17.756 1.00 0.00 C ATOM 1036 C SER A 69 14.518 4.860 -17.345 1.00 0.00 C ATOM 1037 O SER A 69 15.372 5.312 -18.106 1.00 0.00 O ATOM 1038 CB SER A 69 12.492 4.153 -18.630 1.00 0.00 C ATOM 1039 OG SER A 69 11.654 3.071 -19.002 1.00 0.00 O ATOM 0 H SER A 69 12.131 2.891 -16.542 1.00 0.00 H new ATOM 0 HA SER A 69 14.268 2.981 -18.329 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.910 4.899 -18.090 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.883 4.639 -19.524 1.00 0.00 H new ATOM 0 HG SER A 69 11.664 2.392 -18.296 1.00 0.00 H new ATOM 1045 N LYS A 70 14.289 5.359 -16.136 1.00 0.00 N ATOM 1046 CA LYS A 70 15.046 6.495 -15.622 1.00 0.00 C ATOM 1047 C LYS A 70 16.537 6.175 -15.569 1.00 0.00 C ATOM 1048 O LYS A 70 17.374 7.019 -15.893 1.00 0.00 O ATOM 1049 CB LYS A 70 14.545 6.878 -14.228 1.00 0.00 C ATOM 1050 CG LYS A 70 14.766 5.796 -13.182 1.00 0.00 C ATOM 1051 CD LYS A 70 14.141 6.176 -11.849 1.00 0.00 C ATOM 1052 CE LYS A 70 14.599 5.247 -10.736 1.00 0.00 C ATOM 1053 NZ LYS A 70 14.211 3.833 -10.994 1.00 0.00 N ATOM 0 H LYS A 70 13.586 4.995 -15.493 1.00 0.00 H new ATOM 0 HA LYS A 70 14.897 7.337 -16.299 1.00 0.00 H new ATOM 0 HB2 LYS A 70 15.050 7.790 -13.908 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.480 7.106 -14.284 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.337 4.857 -13.532 1.00 0.00 H new ATOM 0 HG3 LYS A 70 15.835 5.629 -13.050 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.408 7.203 -11.600 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.055 6.140 -11.931 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.682 5.312 -10.632 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.168 5.574 -9.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.482 3.245 -10.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.182 3.776 -11.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.697 3.490 -11.847 1.00 0.00 H new ATOM 1067 N LYS A 71 16.862 4.954 -15.158 1.00 0.00 N ATOM 1068 CA LYS A 71 18.252 4.524 -15.063 1.00 0.00 C ATOM 1069 C LYS A 71 18.719 3.900 -16.375 1.00 0.00 C ATOM 1070 O LYS A 71 18.021 3.077 -16.966 1.00 0.00 O ATOM 1071 CB LYS A 71 18.422 3.522 -13.919 1.00 0.00 C ATOM 1072 CG LYS A 71 18.996 4.138 -12.653 1.00 0.00 C ATOM 1073 CD LYS A 71 17.973 5.008 -11.942 1.00 0.00 C ATOM 1074 CE LYS A 71 18.490 5.492 -10.597 1.00 0.00 C ATOM 1075 NZ LYS A 71 17.660 6.598 -10.047 1.00 0.00 N ATOM 0 H LYS A 71 16.182 4.245 -14.885 1.00 0.00 H new ATOM 0 HA LYS A 71 18.865 5.402 -14.860 1.00 0.00 H new ATOM 0 HB2 LYS A 71 17.454 3.076 -13.690 1.00 0.00 H new ATOM 0 HB3 LYS A 71 19.075 2.714 -14.249 1.00 0.00 H new ATOM 0 HG2 LYS A 71 19.331 3.347 -11.982 1.00 0.00 H new ATOM 0 HG3 LYS A 71 19.872 4.736 -12.903 1.00 0.00 H new ATOM 0 HD2 LYS A 71 17.726 5.866 -12.568 1.00 0.00 H new ATOM 0 HD3 LYS A 71 17.052 4.443 -11.797 1.00 0.00 H new ATOM 0 HE2 LYS A 71 18.500 4.661 -9.892 1.00 0.00 H new ATOM 0 HE3 LYS A 71 19.520 5.831 -10.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 18.276 7.301 -9.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 17.129 7.051 -10.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 16.993 6.216 -9.346 1.00 0.00 H new ATOM 1089 N ARG A 72 19.904 4.300 -16.825 1.00 0.00 N ATOM 1090 CA ARG A 72 20.464 3.781 -18.066 1.00 0.00 C ATOM 1091 C ARG A 72 20.930 2.341 -17.890 1.00 0.00 C ATOM 1092 O ARG A 72 21.649 2.021 -16.943 1.00 0.00 O ATOM 1093 CB ARG A 72 21.633 4.655 -18.528 1.00 0.00 C ATOM 1094 CG ARG A 72 21.235 6.090 -18.832 1.00 0.00 C ATOM 1095 CD ARG A 72 22.409 6.890 -19.375 1.00 0.00 C ATOM 1096 NE ARG A 72 22.740 6.515 -20.748 1.00 0.00 N ATOM 1097 CZ ARG A 72 22.067 6.941 -21.814 1.00 0.00 C ATOM 1098 NH1 ARG A 72 21.028 7.755 -21.672 1.00 0.00 N ATOM 1099 NH2 ARG A 72 22.435 6.553 -23.028 1.00 0.00 N ATOM 0 H ARG A 72 20.494 4.982 -16.348 1.00 0.00 H new ATOM 0 HA ARG A 72 19.682 3.802 -18.825 1.00 0.00 H new ATOM 0 HB2 ARG A 72 22.403 4.656 -17.756 1.00 0.00 H new ATOM 0 HB3 ARG A 72 22.076 4.213 -19.420 1.00 0.00 H new ATOM 0 HG2 ARG A 72 20.422 6.097 -19.557 1.00 0.00 H new ATOM 0 HG3 ARG A 72 20.858 6.564 -17.926 1.00 0.00 H new ATOM 0 HD2 ARG A 72 22.171 7.953 -19.337 1.00 0.00 H new ATOM 0 HD3 ARG A 72 23.279 6.735 -18.737 1.00 0.00 H new ATOM 0 HE ARG A 72 23.533 5.891 -20.898 1.00 0.00 H new ATOM 0 HH11 ARG A 72 20.741 8.058 -20.741 1.00 0.00 H new ATOM 0 HH12 ARG A 72 20.517 8.078 -22.494 1.00 0.00 H new ATOM 0 HH21 ARG A 72 23.233 5.929 -23.144 1.00 0.00 H new ATOM 0 HH22 ARG A 72 21.920 6.879 -23.846 1.00 0.00 H new ATOM 1113 N LYS A 73 20.515 1.473 -18.807 1.00 0.00 N ATOM 1114 CA LYS A 73 20.889 0.065 -18.753 1.00 0.00 C ATOM 1115 C LYS A 73 22.232 -0.170 -19.436 1.00 0.00 C ATOM 1116 O LYS A 73 22.568 0.499 -20.414 1.00 0.00 O ATOM 1117 CB LYS A 73 19.811 -0.798 -19.411 1.00 0.00 C ATOM 1118 CG LYS A 73 19.649 -0.539 -20.900 1.00 0.00 C ATOM 1119 CD LYS A 73 18.482 -1.323 -21.478 1.00 0.00 C ATOM 1120 CE LYS A 73 18.483 -1.284 -22.998 1.00 0.00 C ATOM 1121 NZ LYS A 73 17.541 -0.260 -23.527 1.00 0.00 N ATOM 0 H LYS A 73 19.919 1.721 -19.597 1.00 0.00 H new ATOM 0 HA LYS A 73 20.981 -0.219 -17.705 1.00 0.00 H new ATOM 0 HB2 LYS A 73 20.055 -1.849 -19.258 1.00 0.00 H new ATOM 0 HB3 LYS A 73 18.858 -0.617 -18.913 1.00 0.00 H new ATOM 0 HG2 LYS A 73 19.493 0.526 -21.070 1.00 0.00 H new ATOM 0 HG3 LYS A 73 20.567 -0.814 -21.420 1.00 0.00 H new ATOM 0 HD2 LYS A 73 18.534 -2.358 -21.139 1.00 0.00 H new ATOM 0 HD3 LYS A 73 17.545 -0.912 -21.103 1.00 0.00 H new ATOM 0 HE2 LYS A 73 19.490 -1.070 -23.355 1.00 0.00 H new ATOM 0 HE3 LYS A 73 18.209 -2.265 -23.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 17.571 -0.265 -24.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 16.576 -0.478 -23.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 17.817 0.680 -23.177 1.00 0.00 H new ATOM 1135 N ASP A 74 22.997 -1.123 -18.915 1.00 0.00 N ATOM 1136 CA ASP A 74 24.304 -1.448 -19.475 1.00 0.00 C ATOM 1137 C ASP A 74 24.167 -2.132 -20.830 1.00 0.00 C ATOM 1138 O ASP A 74 25.077 -2.081 -21.657 1.00 0.00 O ATOM 1139 CB ASP A 74 25.087 -2.345 -18.514 1.00 0.00 C ATOM 1140 CG ASP A 74 25.443 -1.637 -17.222 1.00 0.00 C ATOM 1141 OD1 ASP A 74 25.380 -0.390 -17.190 1.00 0.00 O ATOM 1142 OD2 ASP A 74 25.789 -2.329 -16.240 1.00 0.00 O ATOM 0 H ASP A 74 22.734 -1.685 -18.105 1.00 0.00 H new ATOM 0 HA ASP A 74 24.849 -0.515 -19.616 1.00 0.00 H new ATOM 0 HB2 ASP A 74 24.497 -3.233 -18.288 1.00 0.00 H new ATOM 0 HB3 ASP A 74 26.000 -2.685 -19.002 1.00 0.00 H new ATOM 1147 N ASN A 75 23.020 -2.771 -21.050 1.00 0.00 N ATOM 1148 CA ASN A 75 22.747 -3.471 -22.305 1.00 0.00 C ATOM 1149 C ASN A 75 23.484 -4.809 -22.377 1.00 0.00 C ATOM 1150 O ASN A 75 23.371 -5.533 -23.367 1.00 0.00 O ATOM 1151 CB ASN A 75 23.140 -2.602 -23.501 1.00 0.00 C ATOM 1152 CG ASN A 75 22.486 -3.062 -24.791 1.00 0.00 C ATOM 1153 OD1 ASN A 75 23.142 -3.624 -25.667 1.00 0.00 O ATOM 1154 ND2 ASN A 75 21.185 -2.824 -24.912 1.00 0.00 N ATOM 0 H ASN A 75 22.260 -2.819 -20.371 1.00 0.00 H new ATOM 0 HA ASN A 75 21.676 -3.670 -22.339 1.00 0.00 H new ATOM 0 HB2 ASN A 75 22.859 -1.568 -23.303 1.00 0.00 H new ATOM 0 HB3 ASN A 75 24.223 -2.620 -23.620 1.00 0.00 H new ATOM 0 HD21 ASN A 75 20.691 -3.110 -25.757 1.00 0.00 H new ATOM 0 HD22 ASN A 75 20.680 -2.355 -24.160 1.00 0.00 H new ATOM 1161 N GLU A 76 24.241 -5.135 -21.332 1.00 0.00 N ATOM 1162 CA GLU A 76 24.988 -6.387 -21.293 1.00 0.00 C ATOM 1163 C GLU A 76 24.305 -7.402 -20.384 1.00 0.00 C ATOM 1164 O GLU A 76 24.964 -8.152 -19.665 1.00 0.00 O ATOM 1165 CB GLU A 76 26.420 -6.137 -20.816 1.00 0.00 C ATOM 1166 CG GLU A 76 27.231 -5.263 -21.758 1.00 0.00 C ATOM 1167 CD GLU A 76 27.383 -5.876 -23.137 1.00 0.00 C ATOM 1168 OE1 GLU A 76 27.166 -7.098 -23.271 1.00 0.00 O ATOM 1169 OE2 GLU A 76 27.719 -5.131 -24.083 1.00 0.00 O ATOM 0 H GLU A 76 24.352 -4.550 -20.504 1.00 0.00 H new ATOM 0 HA GLU A 76 25.016 -6.795 -22.303 1.00 0.00 H new ATOM 0 HB2 GLU A 76 26.390 -5.667 -19.833 1.00 0.00 H new ATOM 0 HB3 GLU A 76 26.926 -7.095 -20.696 1.00 0.00 H new ATOM 0 HG2 GLU A 76 26.750 -4.289 -21.848 1.00 0.00 H new ATOM 0 HG3 GLU A 76 28.219 -5.092 -21.329 1.00 0.00 H new ATOM 1176 N GLY A 77 22.976 -7.420 -20.424 1.00 0.00 N ATOM 1177 CA GLY A 77 22.220 -8.347 -19.602 1.00 0.00 C ATOM 1178 C GLY A 77 22.465 -8.143 -18.119 1.00 0.00 C ATOM 1179 O GLY A 77 22.302 -9.071 -17.324 1.00 0.00 O ATOM 0 H GLY A 77 22.409 -6.809 -21.012 1.00 0.00 H new ATOM 0 HA2 GLY A 77 21.157 -8.228 -19.811 1.00 0.00 H new ATOM 0 HA3 GLY A 77 22.486 -9.368 -19.874 1.00 0.00 H new ATOM 1183 N ASN A 78 22.853 -6.929 -17.742 1.00 0.00 N ATOM 1184 CA ASN A 78 23.118 -6.611 -16.343 1.00 0.00 C ATOM 1185 C ASN A 78 21.871 -6.821 -15.492 1.00 0.00 C ATOM 1186 O ASN A 78 21.957 -7.237 -14.338 1.00 0.00 O ATOM 1187 CB ASN A 78 23.604 -5.167 -16.209 1.00 0.00 C ATOM 1188 CG ASN A 78 25.091 -5.031 -16.472 1.00 0.00 C ATOM 1189 OD1 ASN A 78 25.868 -4.726 -15.566 1.00 0.00 O ATOM 1190 ND2 ASN A 78 25.496 -5.257 -17.716 1.00 0.00 N ATOM 0 H ASN A 78 22.991 -6.149 -18.385 1.00 0.00 H new ATOM 0 HA ASN A 78 23.898 -7.284 -15.985 1.00 0.00 H new ATOM 0 HB2 ASN A 78 23.055 -4.535 -16.907 1.00 0.00 H new ATOM 0 HB3 ASN A 78 23.380 -4.803 -15.206 1.00 0.00 H new ATOM 0 HD21 ASN A 78 26.485 -5.180 -17.952 1.00 0.00 H new ATOM 0 HD22 ASN A 78 24.818 -5.507 -18.436 1.00 0.00 H new ATOM 1197 N GLU A 79 20.710 -6.530 -16.071 1.00 0.00 N ATOM 1198 CA GLU A 79 19.443 -6.690 -15.365 1.00 0.00 C ATOM 1199 C GLU A 79 18.330 -7.091 -16.327 1.00 0.00 C ATOM 1200 O GLU A 79 17.701 -6.238 -16.954 1.00 0.00 O ATOM 1201 CB GLU A 79 19.069 -5.390 -14.648 1.00 0.00 C ATOM 1202 CG GLU A 79 19.185 -4.154 -15.527 1.00 0.00 C ATOM 1203 CD GLU A 79 17.837 -3.661 -16.019 1.00 0.00 C ATOM 1204 OE1 GLU A 79 16.829 -3.888 -15.318 1.00 0.00 O ATOM 1205 OE2 GLU A 79 17.793 -3.048 -17.107 1.00 0.00 O ATOM 0 H GLU A 79 20.620 -6.183 -17.026 1.00 0.00 H new ATOM 0 HA GLU A 79 19.564 -7.484 -14.628 1.00 0.00 H new ATOM 0 HB2 GLU A 79 18.046 -5.469 -14.280 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.712 -5.268 -13.777 1.00 0.00 H new ATOM 0 HG2 GLU A 79 19.676 -3.359 -14.967 1.00 0.00 H new ATOM 0 HG3 GLU A 79 19.820 -4.380 -16.384 1.00 0.00 H new ATOM 1212 N VAL A 80 18.094 -8.394 -16.440 1.00 0.00 N ATOM 1213 CA VAL A 80 17.058 -8.908 -17.327 1.00 0.00 C ATOM 1214 C VAL A 80 15.667 -8.540 -16.820 1.00 0.00 C ATOM 1215 O VAL A 80 14.768 -8.242 -17.606 1.00 0.00 O ATOM 1216 CB VAL A 80 17.150 -10.439 -17.472 1.00 0.00 C ATOM 1217 CG1 VAL A 80 18.453 -10.833 -18.150 1.00 0.00 C ATOM 1218 CG2 VAL A 80 17.022 -11.113 -16.114 1.00 0.00 C ATOM 0 H VAL A 80 18.606 -9.113 -15.928 1.00 0.00 H new ATOM 0 HA VAL A 80 17.221 -8.448 -18.302 1.00 0.00 H new ATOM 0 HB VAL A 80 16.324 -10.777 -18.098 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.501 -11.918 -18.244 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.499 -10.381 -19.141 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.295 -10.483 -17.552 1.00 0.00 H new ATOM 0 HG21 VAL A 80 17.089 -12.194 -16.237 1.00 0.00 H new ATOM 0 HG22 VAL A 80 17.825 -10.771 -15.461 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.060 -10.857 -15.670 1.00 0.00 H new ATOM 1228 N VAL A 81 15.498 -8.561 -15.502 1.00 0.00 N ATOM 1229 CA VAL A 81 14.218 -8.227 -14.891 1.00 0.00 C ATOM 1230 C VAL A 81 14.411 -7.671 -13.480 1.00 0.00 C ATOM 1231 O VAL A 81 15.197 -8.205 -12.698 1.00 0.00 O ATOM 1232 CB VAL A 81 13.292 -9.457 -14.822 1.00 0.00 C ATOM 1233 CG1 VAL A 81 11.904 -9.057 -14.351 1.00 0.00 C ATOM 1234 CG2 VAL A 81 13.226 -10.151 -16.175 1.00 0.00 C ATOM 0 H VAL A 81 16.232 -8.806 -14.837 1.00 0.00 H new ATOM 0 HA VAL A 81 13.755 -7.466 -15.520 1.00 0.00 H new ATOM 0 HB VAL A 81 13.705 -10.160 -14.098 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.266 -9.940 -14.309 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.971 -8.610 -13.359 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.478 -8.334 -15.047 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.568 -11.017 -16.108 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.838 -9.457 -16.921 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.225 -10.476 -16.466 1.00 0.00 H new ATOM 1244 N PRO A 82 13.693 -6.586 -13.134 1.00 0.00 N ATOM 1245 CA PRO A 82 13.794 -5.967 -11.809 1.00 0.00 C ATOM 1246 C PRO A 82 13.143 -6.816 -10.722 1.00 0.00 C ATOM 1247 O PRO A 82 12.777 -7.968 -10.955 1.00 0.00 O ATOM 1248 CB PRO A 82 13.042 -4.647 -11.978 1.00 0.00 C ATOM 1249 CG PRO A 82 12.062 -4.908 -13.068 1.00 0.00 C ATOM 1250 CD PRO A 82 12.728 -5.882 -14.001 1.00 0.00 C ATOM 0 HA PRO A 82 14.830 -5.846 -11.493 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.540 -4.356 -11.055 1.00 0.00 H new ATOM 0 HB3 PRO A 82 13.720 -3.835 -12.241 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.136 -5.321 -12.669 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.802 -3.986 -13.588 1.00 0.00 H new ATOM 0 HD2 PRO A 82 12.008 -6.571 -14.442 1.00 0.00 H new ATOM 0 HD3 PRO A 82 13.227 -5.371 -14.825 1.00 0.00 H new ATOM 1258 N LYS A 83 13.001 -6.238 -9.533 1.00 0.00 N ATOM 1259 CA LYS A 83 12.393 -6.942 -8.410 1.00 0.00 C ATOM 1260 C LYS A 83 11.205 -6.159 -7.855 1.00 0.00 C ATOM 1261 O LYS A 83 11.303 -5.524 -6.805 1.00 0.00 O ATOM 1262 CB LYS A 83 13.427 -7.173 -7.306 1.00 0.00 C ATOM 1263 CG LYS A 83 14.680 -7.886 -7.786 1.00 0.00 C ATOM 1264 CD LYS A 83 14.471 -9.390 -7.860 1.00 0.00 C ATOM 1265 CE LYS A 83 15.042 -10.091 -6.638 1.00 0.00 C ATOM 1266 NZ LYS A 83 14.232 -9.828 -5.416 1.00 0.00 N ATOM 0 H LYS A 83 13.298 -5.285 -9.323 1.00 0.00 H new ATOM 0 HA LYS A 83 12.034 -7.906 -8.769 1.00 0.00 H new ATOM 0 HB2 LYS A 83 13.708 -6.212 -6.876 1.00 0.00 H new ATOM 0 HB3 LYS A 83 12.970 -7.758 -6.508 1.00 0.00 H new ATOM 0 HG2 LYS A 83 14.961 -7.508 -8.769 1.00 0.00 H new ATOM 0 HG3 LYS A 83 15.507 -7.665 -7.111 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.406 -9.607 -7.941 1.00 0.00 H new ATOM 0 HD3 LYS A 83 14.945 -9.781 -8.760 1.00 0.00 H new ATOM 0 HE2 LYS A 83 15.083 -11.165 -6.822 1.00 0.00 H new ATOM 0 HE3 LYS A 83 16.066 -9.756 -6.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.594 -10.403 -4.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.297 -8.820 -5.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.239 -10.077 -5.598 1.00 0.00 H new ATOM 1280 N PRO A 84 10.059 -6.194 -8.558 1.00 0.00 N ATOM 1281 CA PRO A 84 8.849 -5.484 -8.132 1.00 0.00 C ATOM 1282 C PRO A 84 8.428 -5.858 -6.715 1.00 0.00 C ATOM 1283 O PRO A 84 8.291 -7.037 -6.387 1.00 0.00 O ATOM 1284 CB PRO A 84 7.789 -5.941 -9.140 1.00 0.00 C ATOM 1285 CG PRO A 84 8.562 -6.364 -10.341 1.00 0.00 C ATOM 1286 CD PRO A 84 9.855 -6.927 -9.821 1.00 0.00 C ATOM 0 HA PRO A 84 8.999 -4.405 -8.112 1.00 0.00 H new ATOM 0 HB2 PRO A 84 7.194 -6.763 -8.743 1.00 0.00 H new ATOM 0 HB3 PRO A 84 7.097 -5.134 -9.379 1.00 0.00 H new ATOM 0 HG2 PRO A 84 8.014 -7.111 -10.915 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.743 -5.520 -11.006 1.00 0.00 H new ATOM 0 HD2 PRO A 84 9.788 -8.002 -9.656 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.676 -6.762 -10.519 1.00 0.00 H new ATOM 1294 N GLN A 85 8.218 -4.847 -5.878 1.00 0.00 N ATOM 1295 CA GLN A 85 7.809 -5.070 -4.497 1.00 0.00 C ATOM 1296 C GLN A 85 6.289 -5.099 -4.383 1.00 0.00 C ATOM 1297 O GLN A 85 5.616 -4.108 -4.667 1.00 0.00 O ATOM 1298 CB GLN A 85 8.381 -3.978 -3.590 1.00 0.00 C ATOM 1299 CG GLN A 85 9.896 -3.998 -3.495 1.00 0.00 C ATOM 1300 CD GLN A 85 10.441 -2.876 -2.633 1.00 0.00 C ATOM 1301 OE1 GLN A 85 9.742 -1.906 -2.340 1.00 0.00 O ATOM 1302 NE2 GLN A 85 11.698 -3.001 -2.222 1.00 0.00 N ATOM 0 H GLN A 85 8.325 -3.865 -6.133 1.00 0.00 H new ATOM 0 HA GLN A 85 8.200 -6.036 -4.178 1.00 0.00 H new ATOM 0 HB2 GLN A 85 8.062 -3.004 -3.962 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.961 -4.091 -2.590 1.00 0.00 H new ATOM 0 HG2 GLN A 85 10.218 -4.955 -3.085 1.00 0.00 H new ATOM 0 HG3 GLN A 85 10.320 -3.921 -4.496 1.00 0.00 H new ATOM 0 HE21 GLN A 85 12.242 -3.822 -2.488 1.00 0.00 H new ATOM 0 HE22 GLN A 85 12.119 -2.276 -1.640 1.00 0.00 H new ATOM 1311 N ARG A 86 5.751 -6.242 -3.970 1.00 0.00 N ATOM 1312 CA ARG A 86 4.311 -6.397 -3.824 1.00 0.00 C ATOM 1313 C ARG A 86 3.899 -6.363 -2.356 1.00 0.00 C ATOM 1314 O ARG A 86 4.523 -7.001 -1.509 1.00 0.00 O ATOM 1315 CB ARG A 86 3.851 -7.710 -4.462 1.00 0.00 C ATOM 1316 CG ARG A 86 4.013 -7.740 -5.973 1.00 0.00 C ATOM 1317 CD ARG A 86 5.332 -8.377 -6.380 1.00 0.00 C ATOM 1318 NE ARG A 86 5.169 -9.772 -6.778 1.00 0.00 N ATOM 1319 CZ ARG A 86 6.062 -10.448 -7.497 1.00 0.00 C ATOM 1320 NH1 ARG A 86 7.184 -9.861 -7.897 1.00 0.00 N ATOM 1321 NH2 ARG A 86 5.834 -11.714 -7.817 1.00 0.00 N ATOM 0 H ARG A 86 6.292 -7.073 -3.731 1.00 0.00 H new ATOM 0 HA ARG A 86 3.831 -5.562 -4.334 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.417 -8.534 -4.028 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.803 -7.878 -4.214 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.187 -8.296 -6.417 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.962 -6.724 -6.366 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.767 -7.813 -7.206 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.034 -8.317 -5.549 1.00 0.00 H new ATOM 0 HE ARG A 86 4.320 -10.258 -6.488 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.365 -8.887 -7.653 1.00 0.00 H new ATOM 0 HH12 ARG A 86 7.865 -10.384 -8.448 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.974 -12.170 -7.512 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.518 -12.232 -8.368 1.00 0.00 H new ATOM 1335 N HIS A 87 2.840 -5.615 -2.066 1.00 0.00 N ATOM 1336 CA HIS A 87 2.334 -5.496 -0.703 1.00 0.00 C ATOM 1337 C HIS A 87 0.865 -5.902 -0.639 1.00 0.00 C ATOM 1338 O HIS A 87 0.009 -5.268 -1.255 1.00 0.00 O ATOM 1339 CB HIS A 87 2.503 -4.063 -0.196 1.00 0.00 C ATOM 1340 CG HIS A 87 3.915 -3.718 0.165 1.00 0.00 C ATOM 1341 ND1 HIS A 87 4.331 -3.516 1.464 1.00 0.00 N ATOM 1342 CD2 HIS A 87 5.010 -3.540 -0.612 1.00 0.00 C ATOM 1343 CE1 HIS A 87 5.622 -3.227 1.471 1.00 0.00 C ATOM 1344 NE2 HIS A 87 6.055 -3.235 0.225 1.00 0.00 N ATOM 0 H HIS A 87 2.314 -5.081 -2.758 1.00 0.00 H new ATOM 0 HA HIS A 87 2.909 -6.167 -0.065 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.153 -3.372 -0.963 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.868 -3.918 0.678 1.00 0.00 H new ATOM 0 HD1 HIS A 87 3.736 -3.579 2.290 1.00 0.00 H new ATOM 0 HD2 HIS A 87 5.053 -3.622 -1.688 1.00 0.00 H new ATOM 0 HE1 HIS A 87 6.219 -3.020 2.347 1.00 0.00 H new ATOM 1353 N MET A 88 0.582 -6.966 0.105 1.00 0.00 N ATOM 1354 CA MET A 88 -0.784 -7.457 0.242 1.00 0.00 C ATOM 1355 C MET A 88 -1.383 -7.051 1.586 1.00 0.00 C ATOM 1356 O MET A 88 -0.892 -7.449 2.642 1.00 0.00 O ATOM 1357 CB MET A 88 -0.817 -8.979 0.097 1.00 0.00 C ATOM 1358 CG MET A 88 -0.303 -9.473 -1.245 1.00 0.00 C ATOM 1359 SD MET A 88 -0.552 -11.245 -1.474 1.00 0.00 S ATOM 1360 CE MET A 88 0.408 -11.900 -0.113 1.00 0.00 C ATOM 0 H MET A 88 1.278 -7.504 0.621 1.00 0.00 H new ATOM 0 HA MET A 88 -1.383 -7.007 -0.550 1.00 0.00 H new ATOM 0 HB2 MET A 88 -0.219 -9.424 0.892 1.00 0.00 H new ATOM 0 HB3 MET A 88 -1.841 -9.327 0.235 1.00 0.00 H new ATOM 0 HG2 MET A 88 -0.809 -8.932 -2.045 1.00 0.00 H new ATOM 0 HG3 MET A 88 0.760 -9.245 -1.329 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.591 -12.962 -0.275 1.00 0.00 H new ATOM 0 HE2 MET A 88 1.360 -11.373 -0.052 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.142 -11.765 0.818 1.00 0.00 H new ATOM 1370 N PHE A 89 -2.448 -6.257 1.536 1.00 0.00 N ATOM 1371 CA PHE A 89 -3.118 -5.798 2.747 1.00 0.00 C ATOM 1372 C PHE A 89 -4.432 -6.541 2.959 1.00 0.00 C ATOM 1373 O PHE A 89 -5.090 -6.943 2.000 1.00 0.00 O ATOM 1374 CB PHE A 89 -3.384 -4.295 2.669 1.00 0.00 C ATOM 1375 CG PHE A 89 -2.165 -3.455 2.911 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -1.775 -3.136 4.200 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -1.409 -2.986 1.848 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -0.652 -2.362 4.427 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -0.287 -2.212 2.069 1.00 0.00 C ATOM 1380 CZ PHE A 89 0.093 -1.899 3.359 1.00 0.00 C ATOM 0 H PHE A 89 -2.865 -5.918 0.669 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.462 -6.004 3.592 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.789 -4.057 1.686 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.148 -4.031 3.401 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.354 -3.496 5.038 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.700 -3.228 0.837 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.357 -2.120 5.437 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.293 -1.851 1.233 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.970 -1.294 3.533 1.00 0.00 H new ATOM 1390 N SER A 90 -4.813 -6.712 4.221 1.00 0.00 N ATOM 1391 CA SER A 90 -6.056 -7.399 4.558 1.00 0.00 C ATOM 1392 C SER A 90 -7.011 -6.448 5.268 1.00 0.00 C ATOM 1393 O SER A 90 -6.644 -5.806 6.251 1.00 0.00 O ATOM 1394 CB SER A 90 -5.771 -8.617 5.439 1.00 0.00 C ATOM 1395 OG SER A 90 -6.384 -9.782 4.913 1.00 0.00 O ATOM 0 H SER A 90 -4.280 -6.385 5.027 1.00 0.00 H new ATOM 0 HA SER A 90 -6.524 -7.739 3.634 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.695 -8.771 5.514 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.138 -8.433 6.449 1.00 0.00 H new ATOM 0 HG SER A 90 -6.185 -10.546 5.493 1.00 0.00 H new ATOM 1401 N PHE A 91 -8.232 -6.347 4.755 1.00 0.00 N ATOM 1402 CA PHE A 91 -9.227 -5.458 5.334 1.00 0.00 C ATOM 1403 C PHE A 91 -10.324 -6.222 6.053 1.00 0.00 C ATOM 1404 O PHE A 91 -10.799 -7.253 5.578 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.846 -4.588 4.246 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.998 -3.411 3.888 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.909 -3.560 3.047 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -9.284 -2.160 4.401 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.120 -2.479 2.718 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.496 -1.071 4.079 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.411 -1.230 3.236 1.00 0.00 C ATOM 0 H PHE A 91 -8.554 -6.870 3.941 1.00 0.00 H new ATOM 0 HA PHE A 91 -8.716 -4.833 6.067 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.013 -5.193 3.355 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.822 -4.237 4.580 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.675 -4.534 2.644 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -10.131 -2.032 5.059 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.276 -2.607 2.057 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.727 -0.097 4.485 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.793 -0.381 2.983 1.00 0.00 H new ATOM 1421 N ASN A 92 -10.737 -5.688 7.193 1.00 0.00 N ATOM 1422 CA ASN A 92 -11.800 -6.290 7.976 1.00 0.00 C ATOM 1423 C ASN A 92 -13.108 -5.538 7.750 1.00 0.00 C ATOM 1424 O ASN A 92 -14.094 -5.768 8.450 1.00 0.00 O ATOM 1425 CB ASN A 92 -11.439 -6.281 9.463 1.00 0.00 C ATOM 1426 CG ASN A 92 -10.209 -7.116 9.764 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -9.805 -7.957 8.963 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -9.610 -6.887 10.927 1.00 0.00 N ATOM 0 H ASN A 92 -10.349 -4.835 7.596 1.00 0.00 H new ATOM 0 HA ASN A 92 -11.926 -7.324 7.655 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -11.266 -5.254 9.786 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -12.282 -6.659 10.041 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.779 -7.419 11.186 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.981 -6.179 11.561 1.00 0.00 H new ATOM 1435 N ASN A 93 -13.115 -4.634 6.765 1.00 0.00 N ATOM 1436 CA ASN A 93 -14.305 -3.857 6.460 1.00 0.00 C ATOM 1437 C ASN A 93 -14.318 -3.408 5.004 1.00 0.00 C ATOM 1438 O ASN A 93 -13.373 -2.777 4.528 1.00 0.00 O ATOM 1439 CB ASN A 93 -14.401 -2.642 7.384 1.00 0.00 C ATOM 1440 CG ASN A 93 -15.827 -2.337 7.793 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -16.496 -3.160 8.417 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -16.303 -1.148 7.440 1.00 0.00 N ATOM 0 H ASN A 93 -12.311 -4.428 6.172 1.00 0.00 H new ATOM 0 HA ASN A 93 -15.170 -4.499 6.624 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.800 -2.819 8.276 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -13.976 -1.773 6.882 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -17.258 -0.887 7.686 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -15.713 -0.496 6.923 1.00 0.00 H new ATOM 1449 N ARG A 94 -15.400 -3.731 4.305 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.545 -3.357 2.904 1.00 0.00 C ATOM 1451 C ARG A 94 -15.581 -1.841 2.757 1.00 0.00 C ATOM 1452 O ARG A 94 -14.975 -1.279 1.846 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.819 -3.969 2.318 1.00 0.00 C ATOM 1454 CG ARG A 94 -16.861 -5.487 2.402 1.00 0.00 C ATOM 1455 CD ARG A 94 -18.038 -6.056 1.625 1.00 0.00 C ATOM 1456 NE ARG A 94 -18.218 -7.483 1.872 1.00 0.00 N ATOM 1457 CZ ARG A 94 -19.308 -8.164 1.525 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -20.316 -7.551 0.916 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -19.391 -9.462 1.786 1.00 0.00 N ATOM 0 H ARG A 94 -16.190 -4.251 4.686 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.685 -3.742 2.356 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.683 -3.561 2.843 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -16.909 -3.669 1.274 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -15.931 -5.900 2.010 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -16.931 -5.793 3.446 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -18.947 -5.523 1.902 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -17.883 -5.889 0.559 1.00 0.00 H new ATOM 0 HE ARG A 94 -17.464 -7.988 2.338 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -20.258 -6.553 0.712 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -21.149 -8.078 0.652 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.619 -9.939 2.253 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.226 -9.983 1.520 1.00 0.00 H new ATOM 1473 N THR A 95 -16.297 -1.181 3.661 1.00 0.00 N ATOM 1474 CA THR A 95 -16.415 0.255 3.642 1.00 0.00 C ATOM 1475 C THR A 95 -15.065 0.912 3.872 1.00 0.00 C ATOM 1476 O THR A 95 -14.721 1.902 3.225 1.00 0.00 O ATOM 1477 CB THR A 95 -17.407 0.679 4.715 1.00 0.00 C ATOM 1478 OG1 THR A 95 -18.265 -0.397 5.057 1.00 0.00 O ATOM 1479 CG2 THR A 95 -18.276 1.831 4.296 1.00 0.00 C ATOM 0 H THR A 95 -16.806 -1.633 4.421 1.00 0.00 H new ATOM 0 HA THR A 95 -16.773 0.576 2.664 1.00 0.00 H new ATOM 0 HB THR A 95 -16.799 0.989 5.565 1.00 0.00 H new ATOM 0 HG1 THR A 95 -18.895 -0.106 5.749 1.00 0.00 H new ATOM 0 HG21 THR A 95 -18.961 2.084 5.106 1.00 0.00 H new ATOM 0 HG22 THR A 95 -17.651 2.694 4.067 1.00 0.00 H new ATOM 0 HG23 THR A 95 -18.848 1.552 3.411 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.303 0.347 4.793 1.00 0.00 N ATOM 1488 CA VAL A 96 -12.981 0.864 5.110 1.00 0.00 C ATOM 1489 C VAL A 96 -12.024 0.622 3.955 1.00 0.00 C ATOM 1490 O VAL A 96 -11.184 1.464 3.641 1.00 0.00 O ATOM 1491 CB VAL A 96 -12.410 0.230 6.396 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -11.002 0.739 6.672 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -13.323 0.512 7.581 1.00 0.00 C ATOM 0 H VAL A 96 -14.577 -0.472 5.336 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.086 1.936 5.278 1.00 0.00 H new ATOM 0 HB VAL A 96 -12.358 -0.849 6.249 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.621 0.278 7.583 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.352 0.482 5.836 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.024 1.822 6.795 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.905 0.057 8.479 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.409 1.589 7.726 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -14.310 0.092 7.388 1.00 0.00 H new ATOM 1503 N MET A 97 -12.169 -0.530 3.321 1.00 0.00 N ATOM 1504 CA MET A 97 -11.323 -0.881 2.189 1.00 0.00 C ATOM 1505 C MET A 97 -11.703 -0.049 0.969 1.00 0.00 C ATOM 1506 O MET A 97 -10.845 0.339 0.177 1.00 0.00 O ATOM 1507 CB MET A 97 -11.417 -2.387 1.885 1.00 0.00 C ATOM 1508 CG MET A 97 -12.445 -2.766 0.826 1.00 0.00 C ATOM 1509 SD MET A 97 -12.216 -4.446 0.212 1.00 0.00 S ATOM 1510 CE MET A 97 -13.113 -4.366 -1.337 1.00 0.00 C ATOM 0 H MET A 97 -12.862 -1.237 3.569 1.00 0.00 H new ATOM 0 HA MET A 97 -10.287 -0.658 2.445 1.00 0.00 H new ATOM 0 HB2 MET A 97 -10.437 -2.739 1.562 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.657 -2.915 2.808 1.00 0.00 H new ATOM 0 HG2 MET A 97 -13.446 -2.669 1.245 1.00 0.00 H new ATOM 0 HG3 MET A 97 -12.379 -2.066 -0.007 1.00 0.00 H new ATOM 0 HE1 MET A 97 -13.262 -5.374 -1.723 1.00 0.00 H new ATOM 0 HE2 MET A 97 -14.081 -3.893 -1.173 1.00 0.00 H new ATOM 0 HE3 MET A 97 -12.542 -3.782 -2.058 1.00 0.00 H new ATOM 1520 N ASP A 98 -12.996 0.229 0.830 1.00 0.00 N ATOM 1521 CA ASP A 98 -13.487 1.022 -0.287 1.00 0.00 C ATOM 1522 C ASP A 98 -13.100 2.483 -0.120 1.00 0.00 C ATOM 1523 O ASP A 98 -12.879 3.198 -1.097 1.00 0.00 O ATOM 1524 CB ASP A 98 -15.006 0.889 -0.413 1.00 0.00 C ATOM 1525 CG ASP A 98 -15.439 -0.524 -0.751 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -14.570 -1.341 -1.116 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -16.651 -0.813 -0.650 1.00 0.00 O ATOM 0 H ASP A 98 -13.720 -0.084 1.477 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.027 0.644 -1.200 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.473 1.195 0.523 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.364 1.570 -1.185 1.00 0.00 H new ATOM 1532 N ASN A 99 -13.016 2.919 1.130 1.00 0.00 N ATOM 1533 CA ASN A 99 -12.649 4.294 1.435 1.00 0.00 C ATOM 1534 C ASN A 99 -11.178 4.534 1.125 1.00 0.00 C ATOM 1535 O ASN A 99 -10.788 5.618 0.692 1.00 0.00 O ATOM 1536 CB ASN A 99 -12.937 4.612 2.903 1.00 0.00 C ATOM 1537 CG ASN A 99 -14.420 4.626 3.211 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -15.253 4.712 2.309 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -14.759 4.543 4.492 1.00 0.00 N ATOM 0 H ASN A 99 -13.197 2.339 1.949 1.00 0.00 H new ATOM 0 HA ASN A 99 -13.250 4.955 0.811 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.444 3.873 3.535 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.508 5.582 3.153 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -15.743 4.549 4.761 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -14.035 4.473 5.208 1.00 0.00 H new ATOM 1546 N ILE A 100 -10.375 3.507 1.349 1.00 0.00 N ATOM 1547 CA ILE A 100 -8.941 3.579 1.097 1.00 0.00 C ATOM 1548 C ILE A 100 -8.626 3.239 -0.357 1.00 0.00 C ATOM 1549 O ILE A 100 -7.818 3.907 -1.000 1.00 0.00 O ATOM 1550 CB ILE A 100 -8.164 2.618 2.019 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.452 2.937 3.488 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -6.670 2.696 1.736 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.880 4.261 3.946 1.00 0.00 C ATOM 0 H ILE A 100 -10.693 2.606 1.707 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.629 4.602 1.305 1.00 0.00 H new ATOM 0 HB ILE A 100 -8.497 1.600 1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.531 2.944 3.645 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.044 2.140 4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.138 2.011 2.396 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.481 2.420 0.699 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.319 3.713 1.910 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.124 4.419 4.997 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.797 4.252 3.822 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.306 5.067 3.349 1.00 0.00 H new ATOM 1565 N LYS A 101 -9.269 2.193 -0.866 1.00 0.00 N ATOM 1566 CA LYS A 101 -9.056 1.756 -2.241 1.00 0.00 C ATOM 1567 C LYS A 101 -9.301 2.897 -3.226 1.00 0.00 C ATOM 1568 O LYS A 101 -8.477 3.161 -4.100 1.00 0.00 O ATOM 1569 CB LYS A 101 -9.975 0.577 -2.570 1.00 0.00 C ATOM 1570 CG LYS A 101 -9.802 0.047 -3.983 1.00 0.00 C ATOM 1571 CD LYS A 101 -10.518 -1.280 -4.172 1.00 0.00 C ATOM 1572 CE LYS A 101 -12.027 -1.107 -4.154 1.00 0.00 C ATOM 1573 NZ LYS A 101 -12.586 -1.242 -2.780 1.00 0.00 N ATOM 0 H LYS A 101 -9.943 1.631 -0.346 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.017 1.439 -2.336 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.784 -0.230 -1.862 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.011 0.885 -2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.189 0.775 -4.696 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.741 -0.077 -4.199 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -10.213 -1.727 -5.118 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.221 -1.971 -3.383 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.285 -0.127 -4.556 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.485 -1.850 -4.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.348 -1.949 -2.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.835 -1.546 -2.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.965 -0.325 -2.468 1.00 0.00 H new ATOM 1587 N MET A 102 -10.440 3.566 -3.082 1.00 0.00 N ATOM 1588 CA MET A 102 -10.788 4.674 -3.965 1.00 0.00 C ATOM 1589 C MET A 102 -9.845 5.850 -3.762 1.00 0.00 C ATOM 1590 O MET A 102 -9.520 6.570 -4.706 1.00 0.00 O ATOM 1591 CB MET A 102 -12.235 5.111 -3.730 1.00 0.00 C ATOM 1592 CG MET A 102 -13.258 4.044 -4.083 1.00 0.00 C ATOM 1593 SD MET A 102 -14.956 4.628 -3.914 1.00 0.00 S ATOM 1594 CE MET A 102 -15.863 3.101 -4.141 1.00 0.00 C ATOM 0 H MET A 102 -11.136 3.362 -2.365 1.00 0.00 H new ATOM 0 HA MET A 102 -10.687 4.329 -4.994 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.357 5.387 -2.683 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.436 6.005 -4.320 1.00 0.00 H new ATOM 0 HG2 MET A 102 -13.092 3.712 -5.108 1.00 0.00 H new ATOM 0 HG3 MET A 102 -13.110 3.177 -3.439 1.00 0.00 H new ATOM 0 HE1 MET A 102 -16.932 3.298 -4.064 1.00 0.00 H new ATOM 0 HE2 MET A 102 -15.640 2.688 -5.125 1.00 0.00 H new ATOM 0 HE3 MET A 102 -15.570 2.386 -3.372 1.00 0.00 H new ATOM 1604 N THR A 103 -9.407 6.034 -2.527 1.00 0.00 N ATOM 1605 CA THR A 103 -8.498 7.115 -2.197 1.00 0.00 C ATOM 1606 C THR A 103 -7.101 6.810 -2.730 1.00 0.00 C ATOM 1607 O THR A 103 -6.386 7.706 -3.179 1.00 0.00 O ATOM 1608 CB THR A 103 -8.477 7.340 -0.677 1.00 0.00 C ATOM 1609 OG1 THR A 103 -9.239 8.482 -0.332 1.00 0.00 O ATOM 1610 CG2 THR A 103 -7.091 7.528 -0.094 1.00 0.00 C ATOM 0 H THR A 103 -9.668 5.446 -1.736 1.00 0.00 H new ATOM 0 HA THR A 103 -8.846 8.033 -2.671 1.00 0.00 H new ATOM 0 HB THR A 103 -8.899 6.427 -0.257 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.680 8.333 0.530 1.00 0.00 H new ATOM 0 HG21 THR A 103 -7.167 7.681 0.983 1.00 0.00 H new ATOM 0 HG22 THR A 103 -6.489 6.641 -0.293 1.00 0.00 H new ATOM 0 HG23 THR A 103 -6.619 8.397 -0.551 1.00 0.00 H new ATOM 1618 N LEU A 104 -6.727 5.537 -2.686 1.00 0.00 N ATOM 1619 CA LEU A 104 -5.425 5.110 -3.173 1.00 0.00 C ATOM 1620 C LEU A 104 -5.349 5.256 -4.687 1.00 0.00 C ATOM 1621 O LEU A 104 -4.299 5.584 -5.236 1.00 0.00 O ATOM 1622 CB LEU A 104 -5.154 3.658 -2.774 1.00 0.00 C ATOM 1623 CG LEU A 104 -4.812 3.445 -1.298 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -4.713 1.960 -0.984 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -3.513 4.153 -0.946 1.00 0.00 C ATOM 0 H LEU A 104 -7.308 4.784 -2.318 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.665 5.746 -2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.032 3.060 -3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.332 3.278 -3.380 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.612 3.872 -0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.469 1.826 0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.667 1.478 -1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.932 1.510 -1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.284 3.991 0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.704 3.754 -1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.618 5.221 -1.135 1.00 0.00 H new ATOM 1637 N GLN A 105 -6.474 5.015 -5.358 1.00 0.00 N ATOM 1638 CA GLN A 105 -6.530 5.126 -6.810 1.00 0.00 C ATOM 1639 C GLN A 105 -6.339 6.568 -7.249 1.00 0.00 C ATOM 1640 O GLN A 105 -5.740 6.839 -8.289 1.00 0.00 O ATOM 1641 CB GLN A 105 -7.861 4.586 -7.339 1.00 0.00 C ATOM 1642 CG GLN A 105 -7.985 3.074 -7.246 1.00 0.00 C ATOM 1643 CD GLN A 105 -9.323 2.568 -7.747 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -10.312 2.563 -7.013 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -9.361 2.137 -9.002 1.00 0.00 N ATOM 0 H GLN A 105 -7.354 4.743 -4.920 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.719 4.528 -7.226 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.677 5.044 -6.780 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.978 4.888 -8.380 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.186 2.611 -7.825 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.848 2.765 -6.210 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -8.517 2.159 -9.575 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -10.234 1.784 -9.394 1.00 0.00 H new ATOM 1654 N GLN A 106 -6.845 7.491 -6.444 1.00 0.00 N ATOM 1655 CA GLN A 106 -6.719 8.909 -6.747 1.00 0.00 C ATOM 1656 C GLN A 106 -5.260 9.330 -6.699 1.00 0.00 C ATOM 1657 O GLN A 106 -4.795 10.092 -7.548 1.00 0.00 O ATOM 1658 CB GLN A 106 -7.544 9.745 -5.766 1.00 0.00 C ATOM 1659 CG GLN A 106 -9.044 9.573 -5.934 1.00 0.00 C ATOM 1660 CD GLN A 106 -9.841 10.476 -5.010 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -10.741 11.193 -5.447 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -9.511 10.444 -3.724 1.00 0.00 N ATOM 0 H GLN A 106 -7.345 7.285 -5.579 1.00 0.00 H new ATOM 0 HA GLN A 106 -7.101 9.081 -7.753 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.267 9.473 -4.747 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.290 10.797 -5.895 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.317 9.785 -6.968 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.311 8.534 -5.740 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.758 9.834 -3.406 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -10.011 11.029 -3.055 1.00 0.00 H new ATOM 1671 N ILE A 107 -4.532 8.813 -5.714 1.00 0.00 N ATOM 1672 CA ILE A 107 -3.118 9.123 -5.576 1.00 0.00 C ATOM 1673 C ILE A 107 -2.375 8.727 -6.846 1.00 0.00 C ATOM 1674 O ILE A 107 -1.550 9.479 -7.362 1.00 0.00 O ATOM 1675 CB ILE A 107 -2.502 8.393 -4.365 1.00 0.00 C ATOM 1676 CG1 ILE A 107 -3.192 8.838 -3.074 1.00 0.00 C ATOM 1677 CG2 ILE A 107 -1.004 8.653 -4.292 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -2.914 7.931 -1.897 1.00 0.00 C ATOM 0 H ILE A 107 -4.899 8.180 -5.003 1.00 0.00 H new ATOM 0 HA ILE A 107 -3.021 10.196 -5.414 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.655 7.321 -4.487 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -2.867 9.849 -2.828 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.268 8.881 -3.243 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.586 8.131 -3.432 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.527 8.292 -5.203 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.825 9.723 -4.189 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -3.435 8.307 -1.017 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -3.264 6.924 -2.123 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.842 7.907 -1.702 1.00 0.00 H new ATOM 1690 N ILE A 108 -2.699 7.543 -7.355 1.00 0.00 N ATOM 1691 CA ILE A 108 -2.092 7.037 -8.583 1.00 0.00 C ATOM 1692 C ILE A 108 -2.202 8.071 -9.683 1.00 0.00 C ATOM 1693 O ILE A 108 -1.221 8.440 -10.328 1.00 0.00 O ATOM 1694 CB ILE A 108 -2.790 5.755 -9.073 1.00 0.00 C ATOM 1695 CG1 ILE A 108 -3.083 4.807 -7.912 1.00 0.00 C ATOM 1696 CG2 ILE A 108 -1.946 5.069 -10.133 1.00 0.00 C ATOM 1697 CD1 ILE A 108 -1.931 4.643 -6.946 1.00 0.00 C ATOM 0 H ILE A 108 -3.382 6.913 -6.934 1.00 0.00 H new ATOM 0 HA ILE A 108 -1.048 6.819 -8.357 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.745 6.035 -9.518 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.952 5.175 -7.366 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -3.349 3.829 -8.313 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -2.451 4.164 -10.471 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -1.805 5.743 -10.978 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.975 4.807 -9.712 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.218 3.955 -6.151 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.066 4.244 -7.476 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -1.678 5.611 -6.514 1.00 0.00 H new ATOM 1709 N SER A 109 -3.425 8.521 -9.880 1.00 0.00 N ATOM 1710 CA SER A 109 -3.731 9.520 -10.899 1.00 0.00 C ATOM 1711 C SER A 109 -2.834 10.744 -10.758 1.00 0.00 C ATOM 1712 O SER A 109 -2.545 11.434 -11.736 1.00 0.00 O ATOM 1713 CB SER A 109 -5.200 9.935 -10.813 1.00 0.00 C ATOM 1714 OG SER A 109 -5.552 10.795 -11.884 1.00 0.00 O ATOM 0 H SER A 109 -4.235 8.210 -9.344 1.00 0.00 H new ATOM 0 HA SER A 109 -3.544 9.071 -11.874 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.833 9.048 -10.832 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.384 10.438 -9.864 1.00 0.00 H new ATOM 0 HG SER A 109 -6.497 11.044 -11.806 1.00 0.00 H new ATOM 1720 N ARG A 110 -2.397 11.008 -9.534 1.00 0.00 N ATOM 1721 CA ARG A 110 -1.533 12.148 -9.260 1.00 0.00 C ATOM 1722 C ARG A 110 -0.145 11.928 -9.842 1.00 0.00 C ATOM 1723 O ARG A 110 0.503 12.864 -10.307 1.00 0.00 O ATOM 1724 CB ARG A 110 -1.436 12.400 -7.754 1.00 0.00 C ATOM 1725 CG ARG A 110 -2.786 12.472 -7.061 1.00 0.00 C ATOM 1726 CD ARG A 110 -3.269 13.908 -6.931 1.00 0.00 C ATOM 1727 NE ARG A 110 -2.269 14.767 -6.301 1.00 0.00 N ATOM 1728 CZ ARG A 110 -2.395 16.088 -6.184 1.00 0.00 C ATOM 1729 NH1 ARG A 110 -3.474 16.703 -6.651 1.00 0.00 N ATOM 1730 NH2 ARG A 110 -1.438 16.795 -5.598 1.00 0.00 N ATOM 0 H ARG A 110 -2.627 10.447 -8.714 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.973 13.025 -9.735 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.845 11.605 -7.298 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.900 13.334 -7.584 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.517 11.891 -7.624 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -2.713 12.020 -6.072 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -3.513 14.299 -7.919 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -4.187 13.930 -6.344 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.426 14.330 -5.929 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.213 16.164 -7.103 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -3.565 17.715 -6.558 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -0.606 16.327 -5.237 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -1.534 17.807 -5.508 1.00 0.00 H new ATOM 1744 N TYR A 111 0.299 10.682 -9.815 1.00 0.00 N ATOM 1745 CA TYR A 111 1.611 10.329 -10.344 1.00 0.00 C ATOM 1746 C TYR A 111 1.616 10.409 -11.865 1.00 0.00 C ATOM 1747 O TYR A 111 2.650 10.660 -12.483 1.00 0.00 O ATOM 1748 CB TYR A 111 2.013 8.925 -9.885 1.00 0.00 C ATOM 1749 CG TYR A 111 2.359 8.852 -8.415 1.00 0.00 C ATOM 1750 CD1 TYR A 111 3.546 9.388 -7.935 1.00 0.00 C ATOM 1751 CD2 TYR A 111 1.498 8.248 -7.508 1.00 0.00 C ATOM 1752 CE1 TYR A 111 3.865 9.327 -6.592 1.00 0.00 C ATOM 1753 CE2 TYR A 111 1.809 8.183 -6.164 1.00 0.00 C ATOM 1754 CZ TYR A 111 2.994 8.722 -5.711 1.00 0.00 C ATOM 1755 OH TYR A 111 3.309 8.659 -4.373 1.00 0.00 O ATOM 0 H TYR A 111 -0.228 9.897 -9.433 1.00 0.00 H new ATOM 0 HA TYR A 111 2.338 11.043 -9.958 1.00 0.00 H new ATOM 0 HB2 TYR A 111 1.196 8.234 -10.093 1.00 0.00 H new ATOM 0 HB3 TYR A 111 2.870 8.591 -10.470 1.00 0.00 H new ATOM 0 HD1 TYR A 111 4.232 9.861 -8.623 1.00 0.00 H new ATOM 0 HD2 TYR A 111 0.570 7.822 -7.860 1.00 0.00 H new ATOM 0 HE1 TYR A 111 4.792 9.751 -6.234 1.00 0.00 H new ATOM 0 HE2 TYR A 111 1.127 7.712 -5.471 1.00 0.00 H new ATOM 0 HH TYR A 111 2.621 9.125 -3.853 1.00 0.00 H new ATOM 1765 N LYS A 112 0.449 10.198 -12.459 1.00 0.00 N ATOM 1766 CA LYS A 112 0.305 10.251 -13.906 1.00 0.00 C ATOM 1767 C LYS A 112 0.415 11.687 -14.405 1.00 0.00 C ATOM 1768 O LYS A 112 0.947 11.941 -15.486 1.00 0.00 O ATOM 1769 CB LYS A 112 -1.036 9.651 -14.329 1.00 0.00 C ATOM 1770 CG LYS A 112 -1.231 8.213 -13.875 1.00 0.00 C ATOM 1771 CD LYS A 112 -0.184 7.289 -14.482 1.00 0.00 C ATOM 1772 CE LYS A 112 0.773 6.758 -13.427 1.00 0.00 C ATOM 1773 NZ LYS A 112 2.170 6.677 -13.935 1.00 0.00 N ATOM 0 H LYS A 112 -0.414 9.988 -11.958 1.00 0.00 H new ATOM 0 HA LYS A 112 1.110 9.666 -14.351 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.842 10.263 -13.924 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.117 9.694 -15.415 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -1.175 8.163 -12.788 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -2.227 7.873 -14.159 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.679 6.454 -14.978 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.378 7.827 -15.246 1.00 0.00 H new ATOM 0 HE2 LYS A 112 0.742 7.405 -12.550 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.446 5.769 -13.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.791 6.310 -13.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 2.204 6.039 -14.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 2.492 7.624 -14.219 1.00 0.00 H new ATOM 1787 N ASP A 113 -0.094 12.626 -13.611 1.00 0.00 N ATOM 1788 CA ASP A 113 -0.053 14.038 -13.973 1.00 0.00 C ATOM 1789 C ASP A 113 1.387 14.517 -14.131 1.00 0.00 C ATOM 1790 O ASP A 113 1.696 15.299 -15.029 1.00 0.00 O ATOM 1791 CB ASP A 113 -0.769 14.878 -12.914 1.00 0.00 C ATOM 1792 CG ASP A 113 -0.942 16.323 -13.340 1.00 0.00 C ATOM 1793 OD1 ASP A 113 -0.765 16.612 -14.543 1.00 0.00 O ATOM 1794 OD2 ASP A 113 -1.254 17.165 -12.472 1.00 0.00 O ATOM 0 H ASP A 113 -0.539 12.433 -12.714 1.00 0.00 H new ATOM 0 HA ASP A 113 -0.564 14.158 -14.928 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -1.747 14.443 -12.710 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.204 14.842 -11.983 1.00 0.00 H new ATOM 1799 N ALA A 114 2.265 14.041 -13.252 1.00 0.00 N ATOM 1800 CA ALA A 114 3.671 14.422 -13.293 1.00 0.00 C ATOM 1801 C ALA A 114 4.321 13.979 -14.599 1.00 0.00 C ATOM 1802 O ALA A 114 5.214 14.650 -15.118 1.00 0.00 O ATOM 1803 CB ALA A 114 4.411 13.828 -12.104 1.00 0.00 C ATOM 0 H ALA A 114 2.026 13.391 -12.503 1.00 0.00 H new ATOM 0 HA ALA A 114 3.731 15.509 -13.239 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.460 14.120 -12.146 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.968 14.197 -11.179 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.335 12.741 -12.134 1.00 0.00 H new ATOM 1809 N ASP A 115 3.868 12.847 -15.125 1.00 0.00 N ATOM 1810 CA ASP A 115 4.407 12.315 -16.372 1.00 0.00 C ATOM 1811 C ASP A 115 3.611 12.823 -17.570 1.00 0.00 C ATOM 1812 O ASP A 115 2.381 12.992 -17.432 1.00 0.00 O ATOM 1813 CB ASP A 115 4.392 10.785 -16.346 1.00 0.00 C ATOM 1814 CG ASP A 115 5.076 10.178 -17.557 1.00 0.00 C ATOM 1815 OD1 ASP A 115 5.797 10.914 -18.263 1.00 0.00 O ATOM 1816 OD2 ASP A 115 4.892 8.966 -17.798 1.00 0.00 O ATOM 1817 OXT ASP A 115 4.223 13.048 -18.634 1.00 0.00 O ATOM 0 H ASP A 115 3.130 12.280 -14.708 1.00 0.00 H new ATOM 0 HA ASP A 115 5.436 12.660 -16.471 1.00 0.00 H new ATOM 0 HB2 ASP A 115 4.886 10.435 -15.440 1.00 0.00 H new ATOM 0 HB3 ASP A 115 3.361 10.435 -16.302 1.00 0.00 H new TER 1822 ASP A 115