USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 856 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 23 TYR OH : rot 30:sc= -0.0441 USER MOD Set 1.2: A 45 GLN : amide:sc= -0.122 K(o=1,f=-0.66) USER MOD Set 1.3: A 66 SER OG : rot 84:sc= 1.18 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -148:sc= 0.605 (180deg=-2.47!) USER MOD Single : A 9 ASN : amide:sc= -2.61! C(o=-2.6!,f=-5.5!) USER MOD Single : A 11 GLN : amide:sc= -3.7! K(o=-3.7!,f=-1.9) USER MOD Single : A 16 ASN : amide:sc= -0.181 K(o=-0.18,f=-6.1!) USER MOD Single : A 17 LYS NZ :NH3+ -159:sc= 1.14 (180deg=0.712) USER MOD Single : A 22 SER OG : rot 180:sc= -0.165 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 169:sc= 1.28 (180deg=0.971) USER MOD Single : A 32 LYS NZ :NH3+ -164:sc=-0.00776 (180deg=-0.209) USER MOD Single : A 34 THR OG1 : rot -151:sc= 1.24 USER MOD Single : A 38 LYS NZ :NH3+ 170:sc= 1.06 (180deg=0.922) USER MOD Single : A 41 LYS NZ :NH3+ -123:sc= 1.01 (180deg=-3.09) USER MOD Single : A 43 HIS : no HE2:sc= 1.19 K(o=1.2,f=-4.7!) USER MOD Single : A 50 THR OG1 : rot 130:sc= -0.779 USER MOD Single : A 54 LYS NZ :NH3+ 176:sc=-0.00424 (180deg=-0.0463) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0603 USER MOD Single : A 59 GLN : amide:sc= -1.33 K(o=-1.3,f=-0.011) USER MOD Single : A 61 LYS NZ :NH3+ -168:sc= -0.349 (180deg=-0.735) USER MOD Single : A 65 THR OG1 : rot -89:sc= 1.17 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -166:sc= 1.32 (180deg=1.2) USER MOD Single : A 73 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.46) USER MOD Single : A 79 LYS NZ :NH3+ -165:sc= -0.0282 (180deg=-0.243) USER MOD Single : A 82 THR OG1 : rot -77:sc= 1.62 USER MOD Single : A 84 HIS : no HD1:sc=-0.000935 X(o=-0.00093,f=-0.00022) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -148:sc= 1.25 (180deg=0.0737) USER MOD Single : A 94 LYS NZ :NH3+ 173:sc= 0.581 (180deg=0.43) USER MOD Single : A 95 TYR OH : rot 100:sc= -0.369 USER MOD Single : A 100 LYS NZ :NH3+ 164:sc= 1.2 (180deg=0.513) USER MOD Single : A 102 LYS NZ :NH3+ -175:sc= 1.29 (180deg=1.23) USER MOD ----------------------------------------------------------------- ATOM 38 N ASP A 3 -17.036 -1.590 3.765 1.00 0.00 N ATOM 39 CA ASP A 3 -15.666 -1.879 4.199 1.00 0.00 C ATOM 40 C ASP A 3 -14.702 -2.233 3.090 1.00 0.00 C ATOM 41 O ASP A 3 -13.620 -1.741 3.085 1.00 0.00 O ATOM 42 CB ASP A 3 -15.604 -2.826 5.387 1.00 0.00 C ATOM 43 CG ASP A 3 -16.246 -2.200 6.595 1.00 0.00 C ATOM 44 OD1 ASP A 3 -15.610 -1.327 7.229 1.00 0.00 O ATOM 45 OD2 ASP A 3 -17.430 -2.504 6.887 1.00 0.00 O ATOM 0 HA ASP A 3 -15.294 -0.920 4.560 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -16.110 -3.760 5.142 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -14.566 -3.075 5.607 1.00 0.00 H new ATOM 50 N LYS A 4 -15.094 -3.063 2.176 1.00 0.00 N ATOM 51 CA LYS A 4 -14.311 -3.330 0.974 1.00 0.00 C ATOM 52 C LYS A 4 -14.440 -2.142 0.094 1.00 0.00 C ATOM 53 O LYS A 4 -15.556 -1.721 -0.190 1.00 0.00 O ATOM 54 CB LYS A 4 -14.756 -4.579 0.231 1.00 0.00 C ATOM 55 CG LYS A 4 -14.529 -5.864 0.985 1.00 0.00 C ATOM 56 CD LYS A 4 -14.793 -7.059 0.092 1.00 0.00 C ATOM 57 CE LYS A 4 -14.576 -8.350 0.845 1.00 0.00 C ATOM 58 NZ LYS A 4 -14.751 -9.541 -0.011 1.00 0.00 N ATOM 0 H LYS A 4 -15.968 -3.586 2.227 1.00 0.00 H new ATOM 0 HA LYS A 4 -13.277 -3.513 1.265 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.817 -4.490 -0.001 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.225 -4.631 -0.719 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.504 -5.899 1.355 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -15.184 -5.902 1.856 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -15.816 -7.019 -0.283 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.134 -7.023 -0.775 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.572 -8.355 1.268 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -15.274 -8.401 1.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.591 -10.400 0.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -15.717 -9.553 -0.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.068 -9.509 -0.794 1.00 0.00 H new ATOM 72 N TYR A 5 -13.302 -1.560 -0.277 1.00 0.00 N ATOM 73 CA TYR A 5 -13.195 -0.269 -0.985 1.00 0.00 C ATOM 74 C TYR A 5 -13.694 0.922 -0.186 1.00 0.00 C ATOM 75 O TYR A 5 -13.060 1.976 -0.147 1.00 0.00 O ATOM 76 CB TYR A 5 -13.529 -0.249 -2.514 1.00 0.00 C ATOM 77 CG TYR A 5 -14.721 -1.025 -3.032 1.00 0.00 C ATOM 78 CD1 TYR A 5 -14.559 -2.330 -3.460 1.00 0.00 C ATOM 79 CD2 TYR A 5 -15.970 -0.446 -3.164 1.00 0.00 C ATOM 80 CE1 TYR A 5 -15.601 -3.044 -3.989 1.00 0.00 C ATOM 81 CE2 TYR A 5 -17.025 -1.151 -3.710 1.00 0.00 C ATOM 82 CZ TYR A 5 -16.831 -2.452 -4.120 1.00 0.00 C ATOM 83 OH TYR A 5 -17.867 -3.161 -4.690 1.00 0.00 O ATOM 0 H TYR A 5 -12.392 -1.982 -0.090 1.00 0.00 H new ATOM 0 HA TYR A 5 -12.115 -0.133 -1.036 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -13.668 0.793 -2.803 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -12.649 -0.612 -3.044 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -13.589 -2.797 -3.375 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -16.123 0.571 -2.836 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -15.455 -4.068 -4.301 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -17.994 -0.686 -3.815 1.00 0.00 H new ATOM 0 HH TYR A 5 -18.673 -2.604 -4.710 1.00 0.00 H new ATOM 93 N ASP A 6 -14.746 0.712 0.514 1.00 0.00 N ATOM 94 CA ASP A 6 -15.313 1.670 1.402 1.00 0.00 C ATOM 95 C ASP A 6 -14.414 1.944 2.585 1.00 0.00 C ATOM 96 O ASP A 6 -14.188 3.095 2.914 1.00 0.00 O ATOM 97 CB ASP A 6 -16.704 1.214 1.887 1.00 0.00 C ATOM 98 CG ASP A 6 -17.174 1.926 3.161 1.00 0.00 C ATOM 99 OD1 ASP A 6 -17.540 3.127 3.119 1.00 0.00 O ATOM 100 OD2 ASP A 6 -17.172 1.285 4.241 1.00 0.00 O ATOM 0 H ASP A 6 -15.261 -0.168 0.486 1.00 0.00 H new ATOM 0 HA ASP A 6 -15.421 2.599 0.843 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -17.431 1.389 1.094 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -16.682 0.139 2.068 1.00 0.00 H new ATOM 105 N LYS A 7 -13.782 0.921 3.187 1.00 0.00 N ATOM 106 CA LYS A 7 -13.180 1.257 4.489 1.00 0.00 C ATOM 107 C LYS A 7 -11.981 0.418 4.989 1.00 0.00 C ATOM 108 O LYS A 7 -10.863 0.611 4.497 1.00 0.00 O ATOM 109 CB LYS A 7 -14.284 1.490 5.542 1.00 0.00 C ATOM 110 CG LYS A 7 -13.879 2.181 6.826 1.00 0.00 C ATOM 111 CD LYS A 7 -15.090 2.849 7.520 1.00 0.00 C ATOM 112 CE LYS A 7 -16.165 1.881 8.082 1.00 0.00 C ATOM 113 NZ LYS A 7 -16.836 1.022 7.068 1.00 0.00 N ATOM 0 H LYS A 7 -13.679 -0.035 2.847 1.00 0.00 H new ATOM 0 HA LYS A 7 -12.653 2.193 4.305 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -15.076 2.077 5.077 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -14.715 0.522 5.800 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.425 1.456 7.502 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.121 2.934 6.611 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -14.720 3.466 8.339 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.569 3.519 6.807 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.698 1.238 8.828 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -16.925 2.468 8.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -17.817 0.839 7.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -16.836 1.506 6.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -16.325 0.120 6.985 1.00 0.00 H new ATOM 127 N ILE A 8 -12.195 -0.516 5.927 1.00 0.00 N ATOM 128 CA ILE A 8 -11.058 -1.215 6.588 1.00 0.00 C ATOM 129 C ILE A 8 -10.678 -2.508 5.889 1.00 0.00 C ATOM 130 O ILE A 8 -10.224 -3.464 6.507 1.00 0.00 O ATOM 131 CB ILE A 8 -11.376 -1.541 8.068 1.00 0.00 C ATOM 132 CG1 ILE A 8 -12.692 -2.336 8.183 1.00 0.00 C ATOM 133 CG2 ILE A 8 -11.411 -0.271 8.906 1.00 0.00 C ATOM 134 CD1 ILE A 8 -12.990 -2.849 9.575 1.00 0.00 C ATOM 0 H ILE A 8 -13.119 -0.808 6.247 1.00 0.00 H new ATOM 0 HA ILE A 8 -10.219 -0.522 6.528 1.00 0.00 H new ATOM 0 HB ILE A 8 -10.578 -2.171 8.461 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -13.516 -1.701 7.858 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -12.653 -3.182 7.497 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.636 -0.525 9.942 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.441 0.225 8.856 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.181 0.398 8.521 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.933 -3.396 9.567 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.188 -3.513 9.898 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.065 -2.008 10.264 1.00 0.00 H new ATOM 146 N ASN A 9 -10.710 -2.457 4.615 1.00 0.00 N ATOM 147 CA ASN A 9 -10.394 -3.570 3.751 1.00 0.00 C ATOM 148 C ASN A 9 -8.914 -3.634 3.406 1.00 0.00 C ATOM 149 O ASN A 9 -8.564 -4.176 2.334 1.00 0.00 O ATOM 150 CB ASN A 9 -11.110 -3.329 2.455 1.00 0.00 C ATOM 151 CG ASN A 9 -10.702 -1.974 1.803 1.00 0.00 C ATOM 152 OD1 ASN A 9 -11.355 -0.967 1.963 1.00 0.00 O ATOM 153 ND2 ASN A 9 -9.597 -1.934 1.144 1.00 0.00 N ATOM 0 H ASN A 9 -10.966 -1.612 4.104 1.00 0.00 H new ATOM 0 HA ASN A 9 -10.680 -4.490 4.260 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -10.892 -4.143 1.764 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.186 -3.338 2.629 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.268 -1.051 0.754 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -9.051 -2.785 1.012 1.00 0.00 H new ATOM 160 N LEU A 10 -8.048 -3.170 4.274 1.00 0.00 N ATOM 161 CA LEU A 10 -6.659 -2.960 3.876 1.00 0.00 C ATOM 162 C LEU A 10 -5.983 -4.260 3.572 1.00 0.00 C ATOM 163 O LEU A 10 -5.131 -4.339 2.708 1.00 0.00 O ATOM 164 CB LEU A 10 -5.848 -2.115 4.882 1.00 0.00 C ATOM 165 CG LEU A 10 -6.367 -0.687 5.182 1.00 0.00 C ATOM 166 CD1 LEU A 10 -6.846 0.029 3.928 1.00 0.00 C ATOM 167 CD2 LEU A 10 -7.408 -0.675 6.294 1.00 0.00 C ATOM 0 H LEU A 10 -8.264 -2.932 5.242 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.692 -2.369 2.961 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.801 -2.663 5.823 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.827 -2.033 4.509 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.515 -0.117 5.552 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.200 1.026 4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.022 0.112 3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.660 -0.537 3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.742 0.348 6.469 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.259 -1.290 6.002 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.969 -1.074 7.208 1.00 0.00 H new ATOM 179 N GLN A 11 -6.371 -5.266 4.276 1.00 0.00 N ATOM 180 CA GLN A 11 -5.898 -6.589 4.018 1.00 0.00 C ATOM 181 C GLN A 11 -6.785 -7.354 3.058 1.00 0.00 C ATOM 182 O GLN A 11 -6.292 -8.169 2.274 1.00 0.00 O ATOM 183 CB GLN A 11 -5.705 -7.340 5.301 1.00 0.00 C ATOM 184 CG GLN A 11 -4.513 -6.848 6.070 1.00 0.00 C ATOM 185 CD GLN A 11 -3.220 -7.035 5.290 1.00 0.00 C ATOM 186 OE1 GLN A 11 -2.555 -8.058 5.414 1.00 0.00 O ATOM 187 NE2 GLN A 11 -2.874 -6.071 4.447 1.00 0.00 N ATOM 0 H GLN A 11 -7.029 -5.198 5.052 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.931 -6.491 3.524 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.599 -7.241 5.917 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.583 -8.401 5.084 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.644 -5.792 6.308 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.446 -7.382 7.018 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.449 -5.232 4.368 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.033 -6.168 3.878 1.00 0.00 H new ATOM 196 N GLU A 12 -8.076 -7.043 3.057 1.00 0.00 N ATOM 197 CA GLU A 12 -9.040 -7.829 2.281 1.00 0.00 C ATOM 198 C GLU A 12 -8.842 -7.588 0.819 1.00 0.00 C ATOM 199 O GLU A 12 -8.744 -8.519 0.018 1.00 0.00 O ATOM 200 CB GLU A 12 -10.492 -7.497 2.655 1.00 0.00 C ATOM 201 CG GLU A 12 -10.965 -7.998 4.014 1.00 0.00 C ATOM 202 CD GLU A 12 -10.205 -7.427 5.185 1.00 0.00 C ATOM 203 OE1 GLU A 12 -10.327 -6.222 5.442 1.00 0.00 O ATOM 204 OE2 GLU A 12 -9.483 -8.174 5.867 1.00 0.00 O ATOM 0 H GLU A 12 -8.480 -6.263 3.576 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.861 -8.878 2.517 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.615 -6.414 2.627 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.147 -7.912 1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -12.022 -7.757 4.129 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.882 -9.085 4.037 1.00 0.00 H new ATOM 211 N ILE A 13 -8.753 -6.340 0.491 1.00 0.00 N ATOM 212 CA ILE A 13 -8.573 -5.912 -0.849 1.00 0.00 C ATOM 213 C ILE A 13 -7.162 -6.244 -1.350 1.00 0.00 C ATOM 214 O ILE A 13 -7.013 -6.857 -2.390 1.00 0.00 O ATOM 215 CB ILE A 13 -8.878 -4.401 -0.980 1.00 0.00 C ATOM 216 CG1 ILE A 13 -10.392 -4.107 -0.998 1.00 0.00 C ATOM 217 CG2 ILE A 13 -8.194 -3.791 -2.149 1.00 0.00 C ATOM 218 CD1 ILE A 13 -11.149 -4.758 -2.112 1.00 0.00 C ATOM 0 H ILE A 13 -8.805 -5.577 1.166 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.278 -6.454 -1.480 1.00 0.00 H new ATOM 0 HB ILE A 13 -8.472 -3.930 -0.085 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -10.821 -4.430 -0.050 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -10.537 -3.029 -1.062 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.438 -2.730 -2.200 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -7.116 -3.911 -2.043 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.526 -4.284 -3.063 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -12.204 -4.492 -2.040 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.754 -4.417 -3.069 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.042 -5.840 -2.041 1.00 0.00 H new ATOM 230 N LEU A 14 -6.149 -5.883 -0.558 1.00 0.00 N ATOM 231 CA LEU A 14 -4.740 -6.061 -0.929 1.00 0.00 C ATOM 232 C LEU A 14 -4.375 -7.502 -1.242 1.00 0.00 C ATOM 233 O LEU A 14 -3.463 -7.760 -2.034 1.00 0.00 O ATOM 234 CB LEU A 14 -3.862 -5.548 0.179 1.00 0.00 C ATOM 235 CG LEU A 14 -2.366 -5.619 -0.051 1.00 0.00 C ATOM 236 CD1 LEU A 14 -1.937 -4.704 -1.180 1.00 0.00 C ATOM 237 CD2 LEU A 14 -1.661 -5.274 1.209 1.00 0.00 C ATOM 0 H LEU A 14 -6.281 -5.458 0.360 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.581 -5.492 -1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.128 -4.508 0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.094 -6.108 1.085 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.102 -6.635 -0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.858 -4.779 -1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.443 -4.999 -2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.201 -3.675 -0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.584 -5.324 1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.936 -4.265 1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.945 -5.980 1.990 1.00 0.00 H new ATOM 249 N GLU A 15 -5.078 -8.428 -0.628 1.00 0.00 N ATOM 250 CA GLU A 15 -4.849 -9.830 -0.850 1.00 0.00 C ATOM 251 C GLU A 15 -5.031 -10.225 -2.333 1.00 0.00 C ATOM 252 O GLU A 15 -4.385 -11.148 -2.826 1.00 0.00 O ATOM 253 CB GLU A 15 -5.722 -10.659 0.089 1.00 0.00 C ATOM 254 CG GLU A 15 -5.703 -12.153 -0.187 1.00 0.00 C ATOM 255 CD GLU A 15 -6.587 -12.928 0.735 1.00 0.00 C ATOM 256 OE1 GLU A 15 -7.826 -12.865 0.583 1.00 0.00 O ATOM 257 OE2 GLU A 15 -6.059 -13.642 1.604 1.00 0.00 O ATOM 0 H GLU A 15 -5.823 -8.226 0.038 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.807 -10.047 -0.616 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.395 -10.488 1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.750 -10.302 0.019 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.015 -12.331 -1.216 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.681 -12.521 -0.096 1.00 0.00 H new ATOM 264 N ASN A 16 -5.847 -9.504 -3.048 1.00 0.00 N ATOM 265 CA ASN A 16 -6.097 -9.827 -4.432 1.00 0.00 C ATOM 266 C ASN A 16 -5.903 -8.607 -5.284 1.00 0.00 C ATOM 267 O ASN A 16 -6.531 -7.606 -5.042 1.00 0.00 O ATOM 268 CB ASN A 16 -7.525 -10.352 -4.627 1.00 0.00 C ATOM 269 CG ASN A 16 -7.797 -11.688 -3.971 1.00 0.00 C ATOM 270 OD1 ASN A 16 -7.611 -12.730 -4.577 1.00 0.00 O ATOM 271 ND2 ASN A 16 -8.279 -11.667 -2.765 1.00 0.00 N ATOM 0 H ASN A 16 -6.352 -8.689 -2.700 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.393 -10.605 -4.728 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -8.226 -9.617 -4.231 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.724 -10.439 -5.695 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.515 -12.541 -2.295 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.421 -10.777 -2.288 1.00 0.00 H new ATOM 278 N LYS A 17 -5.067 -8.684 -6.321 1.00 0.00 N ATOM 279 CA LYS A 17 -4.866 -7.508 -7.195 1.00 0.00 C ATOM 280 C LYS A 17 -6.156 -7.124 -7.911 1.00 0.00 C ATOM 281 O LYS A 17 -6.390 -5.971 -8.232 1.00 0.00 O ATOM 282 CB LYS A 17 -3.693 -7.627 -8.188 1.00 0.00 C ATOM 283 CG LYS A 17 -3.832 -8.665 -9.302 1.00 0.00 C ATOM 284 CD LYS A 17 -3.632 -10.098 -8.832 1.00 0.00 C ATOM 285 CE LYS A 17 -2.201 -10.376 -8.340 1.00 0.00 C ATOM 286 NZ LYS A 17 -1.172 -10.018 -9.345 1.00 0.00 N ATOM 0 H LYS A 17 -4.531 -9.513 -6.578 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.579 -6.704 -6.517 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.540 -6.652 -8.650 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.791 -7.857 -7.621 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.822 -8.574 -9.750 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.106 -8.444 -10.085 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.335 -10.312 -8.027 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.868 -10.779 -9.650 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.020 -9.813 -7.424 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.106 -11.432 -8.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.291 -10.530 -9.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.508 -10.278 -10.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.994 -8.994 -9.310 1.00 0.00 H new ATOM 300 N ARG A 18 -7.000 -8.102 -8.104 1.00 0.00 N ATOM 301 CA ARG A 18 -8.317 -7.887 -8.659 1.00 0.00 C ATOM 302 C ARG A 18 -9.184 -7.061 -7.684 1.00 0.00 C ATOM 303 O ARG A 18 -9.950 -6.157 -8.086 1.00 0.00 O ATOM 304 CB ARG A 18 -9.004 -9.219 -9.102 1.00 0.00 C ATOM 305 CG ARG A 18 -8.912 -10.439 -8.143 1.00 0.00 C ATOM 306 CD ARG A 18 -7.560 -11.190 -8.269 1.00 0.00 C ATOM 307 NE ARG A 18 -7.482 -12.393 -7.440 1.00 0.00 N ATOM 308 CZ ARG A 18 -6.590 -13.385 -7.622 1.00 0.00 C ATOM 309 NH1 ARG A 18 -5.796 -13.391 -8.695 1.00 0.00 N ATOM 310 NH2 ARG A 18 -6.498 -14.361 -6.735 1.00 0.00 N ATOM 0 H ARG A 18 -6.796 -9.076 -7.881 1.00 0.00 H new ATOM 0 HA ARG A 18 -8.205 -7.305 -9.573 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.059 -9.009 -9.276 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.576 -9.514 -10.060 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.042 -10.100 -7.115 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.729 -11.128 -8.357 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.402 -11.466 -9.312 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.751 -10.514 -7.992 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.148 -12.486 -6.673 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.863 -12.641 -9.383 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.122 -14.146 -8.827 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.103 -14.362 -5.913 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.823 -15.113 -6.872 1.00 0.00 H new ATOM 324 N LEU A 19 -8.997 -7.305 -6.408 1.00 0.00 N ATOM 325 CA LEU A 19 -9.694 -6.552 -5.405 1.00 0.00 C ATOM 326 C LEU A 19 -9.028 -5.193 -5.220 1.00 0.00 C ATOM 327 O LEU A 19 -9.667 -4.229 -4.824 1.00 0.00 O ATOM 328 CB LEU A 19 -9.797 -7.310 -4.089 1.00 0.00 C ATOM 329 CG LEU A 19 -10.670 -8.570 -4.091 1.00 0.00 C ATOM 330 CD1 LEU A 19 -10.758 -9.142 -2.696 1.00 0.00 C ATOM 331 CD2 LEU A 19 -12.065 -8.264 -4.615 1.00 0.00 C ATOM 0 H LEU A 19 -8.367 -8.020 -6.045 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.717 -6.395 -5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.791 -7.593 -3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.184 -6.628 -3.332 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.208 -9.304 -4.752 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.380 -10.037 -2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.759 -9.400 -2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.198 -8.403 -2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.665 -9.174 -4.606 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.536 -7.513 -3.980 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.996 -7.885 -5.635 1.00 0.00 H new ATOM 343 N LEU A 20 -7.744 -5.118 -5.549 1.00 0.00 N ATOM 344 CA LEU A 20 -7.019 -3.856 -5.549 1.00 0.00 C ATOM 345 C LEU A 20 -7.650 -2.948 -6.566 1.00 0.00 C ATOM 346 O LEU A 20 -7.937 -1.787 -6.289 1.00 0.00 O ATOM 347 CB LEU A 20 -5.516 -4.069 -5.821 1.00 0.00 C ATOM 348 CG LEU A 20 -4.698 -4.615 -4.647 1.00 0.00 C ATOM 349 CD1 LEU A 20 -3.262 -4.877 -5.052 1.00 0.00 C ATOM 350 CD2 LEU A 20 -4.723 -3.613 -3.524 1.00 0.00 C ATOM 0 H LEU A 20 -7.181 -5.924 -5.821 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.084 -3.393 -4.564 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.412 -4.754 -6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.083 -3.117 -6.130 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.139 -5.559 -4.327 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.708 -5.264 -4.197 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.239 -5.608 -5.860 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.804 -3.948 -5.391 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.143 -3.994 -2.684 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.292 -2.672 -3.866 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.753 -3.446 -3.208 1.00 0.00 H new ATOM 362 N GLU A 21 -7.939 -3.523 -7.718 1.00 0.00 N ATOM 363 CA GLU A 21 -8.688 -2.865 -8.764 1.00 0.00 C ATOM 364 C GLU A 21 -10.046 -2.377 -8.254 1.00 0.00 C ATOM 365 O GLU A 21 -10.544 -1.344 -8.699 1.00 0.00 O ATOM 366 CB GLU A 21 -8.855 -3.811 -9.938 1.00 0.00 C ATOM 367 CG GLU A 21 -7.628 -3.911 -10.815 1.00 0.00 C ATOM 368 CD GLU A 21 -7.466 -2.704 -11.715 1.00 0.00 C ATOM 369 OE1 GLU A 21 -7.120 -1.607 -11.238 1.00 0.00 O ATOM 370 OE2 GLU A 21 -7.680 -2.836 -12.941 1.00 0.00 O ATOM 0 H GLU A 21 -7.655 -4.474 -7.954 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.134 -1.985 -9.092 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.104 -4.803 -9.562 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.698 -3.479 -10.544 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.743 -4.015 -10.187 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.693 -4.811 -11.426 1.00 0.00 H new ATOM 377 N SER A 22 -10.634 -3.111 -7.317 1.00 0.00 N ATOM 378 CA SER A 22 -11.892 -2.695 -6.725 1.00 0.00 C ATOM 379 C SER A 22 -11.747 -1.384 -5.881 1.00 0.00 C ATOM 380 O SER A 22 -12.537 -0.460 -6.053 1.00 0.00 O ATOM 381 CB SER A 22 -12.501 -3.847 -5.924 1.00 0.00 C ATOM 382 OG SER A 22 -12.484 -5.025 -6.718 1.00 0.00 O ATOM 0 H SER A 22 -10.261 -3.989 -6.956 1.00 0.00 H new ATOM 0 HA SER A 22 -12.583 -2.446 -7.531 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.937 -4.005 -5.005 1.00 0.00 H new ATOM 0 HB3 SER A 22 -13.523 -3.604 -5.633 1.00 0.00 H new ATOM 0 HG SER A 22 -12.872 -5.768 -6.210 1.00 0.00 H new ATOM 388 N TYR A 23 -10.708 -1.265 -5.009 1.00 0.00 N ATOM 389 CA TYR A 23 -10.574 -0.005 -4.234 1.00 0.00 C ATOM 390 C TYR A 23 -9.651 0.991 -4.958 1.00 0.00 C ATOM 391 O TYR A 23 -9.215 2.005 -4.404 1.00 0.00 O ATOM 392 CB TYR A 23 -10.187 -0.180 -2.691 1.00 0.00 C ATOM 393 CG TYR A 23 -8.717 -0.330 -2.310 1.00 0.00 C ATOM 394 CD1 TYR A 23 -7.735 -0.723 -3.202 1.00 0.00 C ATOM 395 CD2 TYR A 23 -8.331 -0.025 -1.024 1.00 0.00 C ATOM 396 CE1 TYR A 23 -6.421 -0.811 -2.805 1.00 0.00 C ATOM 397 CE2 TYR A 23 -7.028 -0.098 -0.605 1.00 0.00 C ATOM 398 CZ TYR A 23 -6.069 -0.497 -1.507 1.00 0.00 C ATOM 399 OH TYR A 23 -4.767 -0.590 -1.124 1.00 0.00 O ATOM 0 H TYR A 23 -9.997 -1.974 -4.833 1.00 0.00 H new ATOM 0 HA TYR A 23 -11.581 0.411 -4.196 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -10.580 0.683 -2.153 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -10.715 -1.057 -2.317 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -8.003 -0.963 -4.220 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.086 0.284 -0.316 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -5.664 -1.126 -3.508 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.760 0.152 0.411 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.186 -0.414 -1.894 1.00 0.00 H new ATOM 409 N MET A 24 -9.365 0.707 -6.207 1.00 0.00 N ATOM 410 CA MET A 24 -8.583 1.606 -7.040 1.00 0.00 C ATOM 411 C MET A 24 -9.136 3.013 -7.140 1.00 0.00 C ATOM 412 O MET A 24 -8.424 3.898 -7.523 1.00 0.00 O ATOM 413 CB MET A 24 -8.203 1.048 -8.398 1.00 0.00 C ATOM 414 CG MET A 24 -6.946 0.204 -8.359 1.00 0.00 C ATOM 415 SD MET A 24 -5.523 1.145 -7.772 1.00 0.00 S ATOM 416 CE MET A 24 -4.270 -0.136 -7.719 1.00 0.00 C ATOM 0 H MET A 24 -9.663 -0.147 -6.677 1.00 0.00 H new ATOM 0 HA MET A 24 -7.649 1.689 -6.484 1.00 0.00 H new ATOM 0 HB2 MET A 24 -9.027 0.446 -8.781 1.00 0.00 H new ATOM 0 HB3 MET A 24 -8.059 1.872 -9.096 1.00 0.00 H new ATOM 0 HG2 MET A 24 -7.106 -0.656 -7.709 1.00 0.00 H new ATOM 0 HG3 MET A 24 -6.738 -0.185 -9.356 1.00 0.00 H new ATOM 0 HE1 MET A 24 -3.328 0.290 -7.374 1.00 0.00 H new ATOM 0 HE2 MET A 24 -4.584 -0.924 -7.035 1.00 0.00 H new ATOM 0 HE3 MET A 24 -4.135 -0.554 -8.716 1.00 0.00 H new ATOM 426 N ASP A 25 -10.421 3.206 -6.865 1.00 0.00 N ATOM 427 CA ASP A 25 -11.001 4.573 -6.820 1.00 0.00 C ATOM 428 C ASP A 25 -10.301 5.425 -5.811 1.00 0.00 C ATOM 429 O ASP A 25 -9.940 6.558 -6.071 1.00 0.00 O ATOM 430 CB ASP A 25 -12.451 4.546 -6.446 1.00 0.00 C ATOM 431 CG ASP A 25 -13.012 5.920 -6.082 1.00 0.00 C ATOM 432 OD1 ASP A 25 -13.181 6.781 -6.943 1.00 0.00 O ATOM 433 OD2 ASP A 25 -13.305 6.150 -4.898 1.00 0.00 O ATOM 0 H ASP A 25 -11.084 2.456 -6.670 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.878 4.985 -7.822 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.025 4.137 -7.277 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.588 3.871 -5.601 1.00 0.00 H new ATOM 438 N CYS A 26 -10.106 4.877 -4.676 1.00 0.00 N ATOM 439 CA CYS A 26 -9.508 5.593 -3.630 1.00 0.00 C ATOM 440 C CYS A 26 -7.996 5.673 -3.755 1.00 0.00 C ATOM 441 O CYS A 26 -7.402 6.666 -3.348 1.00 0.00 O ATOM 442 CB CYS A 26 -10.023 5.116 -2.268 1.00 0.00 C ATOM 443 SG CYS A 26 -10.411 3.338 -2.148 1.00 0.00 S ATOM 0 H CYS A 26 -10.359 3.915 -4.448 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.822 6.634 -3.712 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -9.275 5.358 -1.512 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.921 5.683 -2.021 1.00 0.00 H new ATOM 448 N VAL A 27 -7.369 4.656 -4.317 1.00 0.00 N ATOM 449 CA VAL A 27 -5.931 4.741 -4.516 1.00 0.00 C ATOM 450 C VAL A 27 -5.549 5.551 -5.785 1.00 0.00 C ATOM 451 O VAL A 27 -4.821 6.530 -5.699 1.00 0.00 O ATOM 452 CB VAL A 27 -5.280 3.331 -4.562 1.00 0.00 C ATOM 453 CG1 VAL A 27 -3.770 3.420 -4.782 1.00 0.00 C ATOM 454 CG2 VAL A 27 -5.575 2.583 -3.276 1.00 0.00 C ATOM 0 H VAL A 27 -7.810 3.792 -4.634 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.538 5.281 -3.654 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.710 2.789 -5.404 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.346 2.416 -4.809 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.569 3.924 -5.727 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.316 3.983 -3.967 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.115 1.595 -3.316 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.169 3.138 -2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.653 2.477 -3.156 1.00 0.00 H new ATOM 464 N LEU A 28 -6.070 5.152 -6.941 1.00 0.00 N ATOM 465 CA LEU A 28 -5.703 5.802 -8.209 1.00 0.00 C ATOM 466 C LEU A 28 -6.831 6.745 -8.718 1.00 0.00 C ATOM 467 O LEU A 28 -6.568 7.805 -9.291 1.00 0.00 O ATOM 468 CB LEU A 28 -5.354 4.685 -9.246 1.00 0.00 C ATOM 469 CG LEU A 28 -4.495 5.042 -10.500 1.00 0.00 C ATOM 470 CD1 LEU A 28 -5.208 5.970 -11.477 1.00 0.00 C ATOM 471 CD2 LEU A 28 -3.144 5.620 -10.085 1.00 0.00 C ATOM 0 H LEU A 28 -6.742 4.390 -7.034 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.832 6.440 -8.060 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.834 3.892 -8.709 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.294 4.265 -9.603 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.331 4.107 -11.035 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.555 6.177 -12.325 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.122 5.493 -11.831 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.458 6.904 -10.975 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.563 5.861 -10.975 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.300 6.525 -9.497 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.603 4.887 -9.486 1.00 0.00 H new ATOM 483 N GLY A 29 -8.070 6.359 -8.470 1.00 0.00 N ATOM 484 CA GLY A 29 -9.228 7.111 -8.953 1.00 0.00 C ATOM 485 C GLY A 29 -9.989 6.338 -10.030 1.00 0.00 C ATOM 486 O GLY A 29 -10.407 6.907 -11.038 1.00 0.00 O ATOM 0 H GLY A 29 -8.307 5.524 -7.934 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.896 7.328 -8.119 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.899 8.069 -9.355 1.00 0.00 H new ATOM 490 N LYS A 30 -10.158 5.031 -9.823 1.00 0.00 N ATOM 491 CA LYS A 30 -10.784 4.163 -10.829 1.00 0.00 C ATOM 492 C LYS A 30 -12.234 3.677 -10.478 1.00 0.00 C ATOM 493 O LYS A 30 -13.200 4.095 -11.125 1.00 0.00 O ATOM 494 CB LYS A 30 -9.872 2.973 -11.107 1.00 0.00 C ATOM 495 CG LYS A 30 -8.459 3.367 -11.534 1.00 0.00 C ATOM 496 CD LYS A 30 -7.562 2.158 -11.817 1.00 0.00 C ATOM 497 CE LYS A 30 -8.072 1.326 -12.979 1.00 0.00 C ATOM 498 NZ LYS A 30 -7.195 0.177 -13.272 1.00 0.00 N ATOM 0 H LYS A 30 -9.872 4.549 -8.971 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.907 4.776 -11.722 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.812 2.356 -10.211 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.320 2.358 -11.888 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.515 3.988 -12.428 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.005 3.975 -10.751 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.550 2.501 -12.034 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.503 1.535 -10.925 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.075 0.966 -12.752 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.152 1.955 -13.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.671 -0.462 -13.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.306 0.517 -13.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.988 -0.335 -12.391 1.00 0.00 H new ATOM 512 N GLY A 31 -12.367 2.776 -9.489 1.00 0.00 N ATOM 513 CA GLY A 31 -13.690 2.193 -9.120 1.00 0.00 C ATOM 514 C GLY A 31 -14.568 3.144 -8.309 1.00 0.00 C ATOM 515 O GLY A 31 -14.788 4.281 -8.724 1.00 0.00 O ATOM 0 H GLY A 31 -11.587 2.431 -8.929 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -14.219 1.908 -10.029 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.529 1.281 -8.546 1.00 0.00 H new ATOM 519 N LYS A 32 -15.068 2.703 -7.156 1.00 0.00 N ATOM 520 CA LYS A 32 -15.841 3.594 -6.284 1.00 0.00 C ATOM 521 C LYS A 32 -15.678 3.301 -4.788 1.00 0.00 C ATOM 522 O LYS A 32 -16.191 2.322 -4.275 1.00 0.00 O ATOM 523 CB LYS A 32 -17.331 3.667 -6.661 1.00 0.00 C ATOM 524 CG LYS A 32 -18.033 2.332 -6.828 1.00 0.00 C ATOM 525 CD LYS A 32 -19.533 2.531 -6.879 1.00 0.00 C ATOM 526 CE LYS A 32 -20.261 1.277 -7.319 1.00 0.00 C ATOM 527 NZ LYS A 32 -20.013 0.989 -8.742 1.00 0.00 N ATOM 0 H LYS A 32 -14.956 1.752 -6.806 1.00 0.00 H new ATOM 0 HA LYS A 32 -15.403 4.576 -6.462 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -17.854 4.238 -5.894 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -17.424 4.225 -7.593 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -17.692 1.846 -7.742 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -17.775 1.671 -6.000 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -19.892 2.831 -5.894 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -19.767 3.345 -7.565 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -19.935 0.432 -6.712 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -21.331 1.397 -7.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -20.717 0.305 -9.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -20.087 1.868 -9.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -19.059 0.590 -8.854 1.00 0.00 H new ATOM 541 N CYS A 33 -14.952 4.152 -4.117 1.00 0.00 N ATOM 542 CA CYS A 33 -14.796 4.109 -2.684 1.00 0.00 C ATOM 543 C CYS A 33 -15.560 5.304 -2.119 1.00 0.00 C ATOM 544 O CYS A 33 -16.004 6.174 -2.885 1.00 0.00 O ATOM 545 CB CYS A 33 -13.315 4.266 -2.316 1.00 0.00 C ATOM 546 SG CYS A 33 -12.180 3.092 -3.136 1.00 0.00 S ATOM 0 H CYS A 33 -14.439 4.914 -4.560 1.00 0.00 H new ATOM 0 HA CYS A 33 -15.165 3.163 -2.287 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -13.002 5.281 -2.562 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -13.211 4.153 -1.237 1.00 0.00 H new ATOM 551 N THR A 34 -15.707 5.376 -0.825 1.00 0.00 N ATOM 552 CA THR A 34 -16.346 6.481 -0.205 1.00 0.00 C ATOM 553 C THR A 34 -15.280 7.545 0.125 1.00 0.00 C ATOM 554 O THR A 34 -14.079 7.245 0.044 1.00 0.00 O ATOM 555 CB THR A 34 -17.037 5.972 1.062 1.00 0.00 C ATOM 556 OG1 THR A 34 -16.123 5.103 1.766 1.00 0.00 O ATOM 557 CG2 THR A 34 -18.305 5.207 0.700 1.00 0.00 C ATOM 0 H THR A 34 -15.381 4.660 -0.175 1.00 0.00 H new ATOM 0 HA THR A 34 -17.091 6.936 -0.858 1.00 0.00 H new ATOM 0 HB THR A 34 -17.313 6.816 1.695 1.00 0.00 H new ATOM 0 HG1 THR A 34 -16.631 4.431 2.266 1.00 0.00 H new ATOM 0 HG21 THR A 34 -18.787 4.850 1.610 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.987 5.866 0.163 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.049 4.357 0.068 1.00 0.00 H new ATOM 565 N PRO A 35 -15.677 8.795 0.458 1.00 0.00 N ATOM 566 CA PRO A 35 -14.724 9.874 0.822 1.00 0.00 C ATOM 567 C PRO A 35 -13.818 9.460 1.986 1.00 0.00 C ATOM 568 O PRO A 35 -12.598 9.661 1.948 1.00 0.00 O ATOM 569 CB PRO A 35 -15.638 11.016 1.251 1.00 0.00 C ATOM 570 CG PRO A 35 -16.919 10.759 0.544 1.00 0.00 C ATOM 571 CD PRO A 35 -17.069 9.275 0.468 1.00 0.00 C ATOM 0 HA PRO A 35 -14.054 10.129 0.001 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -15.777 11.027 2.332 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -15.220 11.984 0.974 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -17.755 11.207 1.081 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -16.907 11.200 -0.453 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -17.624 8.882 1.320 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -17.606 8.970 -0.430 1.00 0.00 H new ATOM 579 N GLU A 36 -14.434 8.848 2.999 1.00 0.00 N ATOM 580 CA GLU A 36 -13.724 8.318 4.163 1.00 0.00 C ATOM 581 C GLU A 36 -12.727 7.278 3.689 1.00 0.00 C ATOM 582 O GLU A 36 -11.565 7.261 4.105 1.00 0.00 O ATOM 583 CB GLU A 36 -14.735 7.660 5.112 1.00 0.00 C ATOM 584 CG GLU A 36 -14.142 7.063 6.401 1.00 0.00 C ATOM 585 CD GLU A 36 -13.411 8.068 7.269 1.00 0.00 C ATOM 586 OE1 GLU A 36 -14.072 8.841 7.998 1.00 0.00 O ATOM 587 OE2 GLU A 36 -12.171 8.094 7.262 1.00 0.00 O ATOM 0 H GLU A 36 -15.443 8.706 3.035 1.00 0.00 H new ATOM 0 HA GLU A 36 -13.204 9.121 4.686 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.485 8.402 5.387 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.253 6.869 4.571 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -14.946 6.613 6.983 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.454 6.261 6.134 1.00 0.00 H new ATOM 594 N GLY A 37 -13.187 6.455 2.760 1.00 0.00 N ATOM 595 CA GLY A 37 -12.393 5.404 2.232 1.00 0.00 C ATOM 596 C GLY A 37 -11.201 5.925 1.513 1.00 0.00 C ATOM 597 O GLY A 37 -10.098 5.392 1.676 1.00 0.00 O ATOM 0 H GLY A 37 -14.125 6.513 2.363 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.072 4.748 3.041 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.994 4.800 1.552 1.00 0.00 H new ATOM 601 N LYS A 38 -11.422 6.972 0.743 1.00 0.00 N ATOM 602 CA LYS A 38 -10.387 7.628 -0.013 1.00 0.00 C ATOM 603 C LYS A 38 -9.229 8.057 0.827 1.00 0.00 C ATOM 604 O LYS A 38 -8.125 7.599 0.622 1.00 0.00 O ATOM 605 CB LYS A 38 -10.911 8.839 -0.790 1.00 0.00 C ATOM 606 CG LYS A 38 -11.586 8.517 -2.102 1.00 0.00 C ATOM 607 CD LYS A 38 -11.803 9.801 -2.902 1.00 0.00 C ATOM 608 CE LYS A 38 -11.964 9.556 -4.405 1.00 0.00 C ATOM 609 NZ LYS A 38 -13.142 8.753 -4.746 1.00 0.00 N ATOM 0 H LYS A 38 -12.343 7.394 0.627 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.040 6.872 -0.717 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.618 9.378 -0.159 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.078 9.514 -0.984 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.974 7.820 -2.675 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.542 8.026 -1.919 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.691 10.310 -2.526 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.959 10.471 -2.738 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.029 10.516 -4.916 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.072 9.055 -4.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.286 8.767 -5.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.997 7.773 -4.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.980 9.148 -4.274 1.00 0.00 H new ATOM 623 N GLU A 39 -9.501 8.835 1.826 1.00 0.00 N ATOM 624 CA GLU A 39 -8.458 9.520 2.538 1.00 0.00 C ATOM 625 C GLU A 39 -7.769 8.635 3.542 1.00 0.00 C ATOM 626 O GLU A 39 -6.568 8.829 3.846 1.00 0.00 O ATOM 627 CB GLU A 39 -9.005 10.788 3.141 1.00 0.00 C ATOM 628 CG GLU A 39 -9.587 11.690 2.076 1.00 0.00 C ATOM 629 CD GLU A 39 -10.175 12.955 2.608 1.00 0.00 C ATOM 630 OE1 GLU A 39 -11.330 12.937 3.084 1.00 0.00 O ATOM 631 OE2 GLU A 39 -9.516 14.008 2.534 1.00 0.00 O ATOM 0 H GLU A 39 -10.443 9.016 2.173 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.676 9.796 1.830 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.773 10.544 3.875 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.212 11.313 3.673 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.806 11.938 1.358 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.358 11.143 1.532 1.00 0.00 H new ATOM 638 N LEU A 40 -8.480 7.627 4.015 1.00 0.00 N ATOM 639 CA LEU A 40 -7.895 6.711 4.944 1.00 0.00 C ATOM 640 C LEU A 40 -6.829 5.893 4.233 1.00 0.00 C ATOM 641 O LEU A 40 -5.710 5.763 4.718 1.00 0.00 O ATOM 642 CB LEU A 40 -8.978 5.835 5.655 1.00 0.00 C ATOM 643 CG LEU A 40 -9.588 4.586 4.944 1.00 0.00 C ATOM 644 CD1 LEU A 40 -8.665 3.346 5.022 1.00 0.00 C ATOM 645 CD2 LEU A 40 -10.941 4.261 5.538 1.00 0.00 C ATOM 0 H LEU A 40 -9.450 7.433 3.768 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.410 7.266 5.747 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.545 5.490 6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.807 6.495 5.910 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.697 4.840 3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.139 2.507 4.512 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.712 3.571 4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.493 3.085 6.066 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.359 3.388 5.036 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.830 4.049 6.601 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.610 5.111 5.405 1.00 0.00 H new ATOM 657 N LYS A 41 -7.173 5.402 3.042 1.00 0.00 N ATOM 658 CA LYS A 41 -6.268 4.578 2.250 1.00 0.00 C ATOM 659 C LYS A 41 -5.213 5.428 1.622 1.00 0.00 C ATOM 660 O LYS A 41 -4.101 4.985 1.428 1.00 0.00 O ATOM 661 CB LYS A 41 -7.027 3.842 1.176 1.00 0.00 C ATOM 662 CG LYS A 41 -7.998 2.802 1.685 1.00 0.00 C ATOM 663 CD LYS A 41 -9.096 2.631 0.692 1.00 0.00 C ATOM 664 CE LYS A 41 -10.210 1.744 1.180 1.00 0.00 C ATOM 665 NZ LYS A 41 -10.975 2.355 2.271 1.00 0.00 N ATOM 0 H LYS A 41 -8.080 5.564 2.604 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.798 3.852 2.913 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.576 4.568 0.576 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.311 3.356 0.513 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.484 1.854 1.844 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.406 3.109 2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.504 3.610 0.441 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.684 2.212 -0.226 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.881 1.519 0.351 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.793 0.796 1.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.958 1.728 3.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.552 3.271 2.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.959 2.500 1.966 1.00 0.00 H new ATOM 679 N ASP A 42 -5.592 6.652 1.307 1.00 0.00 N ATOM 680 CA ASP A 42 -4.709 7.648 0.715 1.00 0.00 C ATOM 681 C ASP A 42 -3.444 7.750 1.528 1.00 0.00 C ATOM 682 O ASP A 42 -2.357 7.542 1.014 1.00 0.00 O ATOM 683 CB ASP A 42 -5.427 9.000 0.695 1.00 0.00 C ATOM 684 CG ASP A 42 -4.638 10.124 0.089 1.00 0.00 C ATOM 685 OD1 ASP A 42 -3.889 10.788 0.819 1.00 0.00 O ATOM 686 OD2 ASP A 42 -4.816 10.409 -1.114 1.00 0.00 O ATOM 0 H ASP A 42 -6.542 6.992 1.457 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.452 7.356 -0.303 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.361 8.891 0.143 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.691 9.270 1.717 1.00 0.00 H new ATOM 691 N HIS A 43 -3.607 8.004 2.819 1.00 0.00 N ATOM 692 CA HIS A 43 -2.469 8.117 3.724 1.00 0.00 C ATOM 693 C HIS A 43 -1.908 6.771 4.183 1.00 0.00 C ATOM 694 O HIS A 43 -0.738 6.673 4.509 1.00 0.00 O ATOM 695 CB HIS A 43 -2.756 9.019 4.912 1.00 0.00 C ATOM 696 CG HIS A 43 -2.875 10.470 4.548 1.00 0.00 C ATOM 697 ND1 HIS A 43 -1.813 11.229 4.091 1.00 0.00 N ATOM 698 CD2 HIS A 43 -3.941 11.297 4.562 1.00 0.00 C ATOM 699 CE1 HIS A 43 -2.225 12.451 3.850 1.00 0.00 C ATOM 700 NE2 HIS A 43 -3.513 12.521 4.125 1.00 0.00 N ATOM 0 H HIS A 43 -4.515 8.136 3.264 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.689 8.588 3.126 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.681 8.695 5.389 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.960 8.901 5.648 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -0.859 10.892 3.962 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.946 11.040 4.863 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -1.612 13.263 3.487 1.00 0.00 H new ATOM 709 N LEU A 44 -2.731 5.748 4.208 1.00 0.00 N ATOM 710 CA LEU A 44 -2.300 4.437 4.698 1.00 0.00 C ATOM 711 C LEU A 44 -1.412 3.728 3.653 1.00 0.00 C ATOM 712 O LEU A 44 -0.300 3.269 3.958 1.00 0.00 O ATOM 713 CB LEU A 44 -3.544 3.624 5.114 1.00 0.00 C ATOM 714 CG LEU A 44 -3.334 2.309 5.861 1.00 0.00 C ATOM 715 CD1 LEU A 44 -4.575 1.991 6.672 1.00 0.00 C ATOM 716 CD2 LEU A 44 -3.071 1.168 4.894 1.00 0.00 C ATOM 0 H LEU A 44 -3.702 5.787 3.898 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.673 4.545 5.583 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.166 4.265 5.738 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.115 3.406 4.212 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.469 2.419 6.514 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.429 1.053 7.207 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.757 2.793 7.388 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.432 1.899 6.005 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.925 0.244 5.453 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.923 1.056 4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.176 1.384 4.311 1.00 0.00 H new ATOM 728 N GLN A 45 -1.882 3.672 2.429 1.00 0.00 N ATOM 729 CA GLN A 45 -1.094 3.142 1.336 1.00 0.00 C ATOM 730 C GLN A 45 0.067 4.094 1.021 1.00 0.00 C ATOM 731 O GLN A 45 1.077 3.692 0.457 1.00 0.00 O ATOM 732 CB GLN A 45 -1.951 2.803 0.098 1.00 0.00 C ATOM 733 CG GLN A 45 -2.492 1.345 0.040 1.00 0.00 C ATOM 734 CD GLN A 45 -3.369 0.890 1.227 1.00 0.00 C ATOM 735 OE1 GLN A 45 -4.066 1.684 1.853 1.00 0.00 O ATOM 736 NE2 GLN A 45 -3.371 -0.431 1.496 1.00 0.00 N ATOM 0 H GLN A 45 -2.814 3.989 2.162 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.668 2.189 1.650 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.798 3.488 0.065 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.356 2.988 -0.796 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.072 1.232 -0.876 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.641 0.668 -0.036 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -2.779 -1.062 0.956 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -3.964 -0.799 2.240 1.00 0.00 H new ATOM 745 N GLU A 46 -0.112 5.375 1.361 1.00 0.00 N ATOM 746 CA GLU A 46 0.980 6.342 1.319 1.00 0.00 C ATOM 747 C GLU A 46 2.078 5.911 2.299 1.00 0.00 C ATOM 748 O GLU A 46 3.236 5.824 1.930 1.00 0.00 O ATOM 749 CB GLU A 46 0.461 7.711 1.704 1.00 0.00 C ATOM 750 CG GLU A 46 1.472 8.817 1.733 1.00 0.00 C ATOM 751 CD GLU A 46 0.842 10.124 2.117 1.00 0.00 C ATOM 752 OE1 GLU A 46 0.628 10.373 3.335 1.00 0.00 O ATOM 753 OE2 GLU A 46 0.524 10.918 1.220 1.00 0.00 O ATOM 0 H GLU A 46 -1.004 5.762 1.668 1.00 0.00 H new ATOM 0 HA GLU A 46 1.390 6.385 0.310 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.329 7.987 1.005 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.003 7.639 2.691 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.263 8.571 2.441 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.940 8.911 0.753 1.00 0.00 H new ATOM 760 N ALA A 47 1.676 5.601 3.544 1.00 0.00 N ATOM 761 CA ALA A 47 2.591 5.151 4.615 1.00 0.00 C ATOM 762 C ALA A 47 3.438 3.987 4.165 1.00 0.00 C ATOM 763 O ALA A 47 4.572 3.838 4.589 1.00 0.00 O ATOM 764 CB ALA A 47 1.804 4.725 5.839 1.00 0.00 C ATOM 0 H ALA A 47 0.701 5.655 3.840 1.00 0.00 H new ATOM 0 HA ALA A 47 3.239 5.993 4.857 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.492 4.397 6.618 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.217 5.567 6.205 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.137 3.905 5.575 1.00 0.00 H new ATOM 770 N LEU A 48 2.846 3.162 3.322 1.00 0.00 N ATOM 771 CA LEU A 48 3.498 2.008 2.740 1.00 0.00 C ATOM 772 C LEU A 48 4.836 2.414 2.074 1.00 0.00 C ATOM 773 O LEU A 48 5.866 1.774 2.318 1.00 0.00 O ATOM 774 CB LEU A 48 2.519 1.361 1.724 1.00 0.00 C ATOM 775 CG LEU A 48 2.810 -0.045 1.148 1.00 0.00 C ATOM 776 CD1 LEU A 48 1.599 -0.512 0.373 1.00 0.00 C ATOM 777 CD2 LEU A 48 4.023 -0.062 0.220 1.00 0.00 C ATOM 0 H LEU A 48 1.879 3.279 3.018 1.00 0.00 H new ATOM 0 HA LEU A 48 3.744 1.280 3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.540 1.318 2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.432 2.044 0.879 1.00 0.00 H new ATOM 0 HG LEU A 48 3.029 -0.706 1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.791 -1.503 -0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.736 -0.556 1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.396 0.186 -0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.180 -1.073 -0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.849 0.613 -0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.906 0.263 0.770 1.00 0.00 H new ATOM 789 N GLU A 49 4.834 3.474 1.262 1.00 0.00 N ATOM 790 CA GLU A 49 6.061 3.842 0.576 1.00 0.00 C ATOM 791 C GLU A 49 6.240 5.369 0.482 1.00 0.00 C ATOM 792 O GLU A 49 7.206 5.926 1.010 1.00 0.00 O ATOM 793 CB GLU A 49 6.046 3.202 -0.826 1.00 0.00 C ATOM 794 CG GLU A 49 7.415 2.835 -1.382 1.00 0.00 C ATOM 795 CD GLU A 49 8.282 3.993 -1.821 1.00 0.00 C ATOM 796 OE1 GLU A 49 8.938 4.614 -0.968 1.00 0.00 O ATOM 797 OE2 GLU A 49 8.391 4.239 -3.023 1.00 0.00 O ATOM 0 H GLU A 49 4.027 4.068 1.072 1.00 0.00 H new ATOM 0 HA GLU A 49 6.910 3.471 1.150 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.432 2.302 -0.791 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.563 3.891 -1.518 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.955 2.270 -0.622 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.273 2.169 -2.233 1.00 0.00 H new ATOM 804 N THR A 50 5.257 6.038 -0.076 1.00 0.00 N ATOM 805 CA THR A 50 5.360 7.429 -0.458 1.00 0.00 C ATOM 806 C THR A 50 5.300 8.409 0.718 1.00 0.00 C ATOM 807 O THR A 50 5.533 9.613 0.548 1.00 0.00 O ATOM 808 CB THR A 50 4.248 7.746 -1.466 1.00 0.00 C ATOM 809 OG1 THR A 50 3.037 7.096 -1.049 1.00 0.00 O ATOM 810 CG2 THR A 50 4.616 7.277 -2.862 1.00 0.00 C ATOM 0 H THR A 50 4.348 5.624 -0.281 1.00 0.00 H new ATOM 0 HA THR A 50 6.347 7.565 -0.901 1.00 0.00 H new ATOM 0 HB THR A 50 4.109 8.827 -1.497 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.301 7.744 -1.049 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.807 7.517 -3.552 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.529 7.778 -3.185 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.777 6.199 -2.853 1.00 0.00 H new ATOM 818 N GLY A 51 5.013 7.914 1.885 1.00 0.00 N ATOM 819 CA GLY A 51 4.877 8.782 3.011 1.00 0.00 C ATOM 820 C GLY A 51 5.611 8.310 4.213 1.00 0.00 C ATOM 821 O GLY A 51 6.832 8.171 4.185 1.00 0.00 O ATOM 0 H GLY A 51 4.870 6.923 2.079 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.238 9.774 2.741 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.820 8.883 3.257 1.00 0.00 H new ATOM 825 N CYS A 52 4.882 8.034 5.254 1.00 0.00 N ATOM 826 CA CYS A 52 5.482 7.712 6.522 1.00 0.00 C ATOM 827 C CYS A 52 4.842 6.511 7.191 1.00 0.00 C ATOM 828 O CYS A 52 3.699 6.565 7.671 1.00 0.00 O ATOM 829 CB CYS A 52 5.487 8.934 7.445 1.00 0.00 C ATOM 830 SG CYS A 52 3.852 9.730 7.674 1.00 0.00 S ATOM 0 H CYS A 52 3.862 8.025 5.252 1.00 0.00 H new ATOM 0 HA CYS A 52 6.515 7.428 6.321 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.869 8.633 8.421 1.00 0.00 H new ATOM 0 HB3 CYS A 52 6.182 9.672 7.044 1.00 0.00 H new ATOM 835 N GLU A 53 5.592 5.442 7.203 1.00 0.00 N ATOM 836 CA GLU A 53 5.221 4.175 7.788 1.00 0.00 C ATOM 837 C GLU A 53 4.891 4.352 9.259 1.00 0.00 C ATOM 838 O GLU A 53 3.775 4.146 9.689 1.00 0.00 O ATOM 839 CB GLU A 53 6.393 3.158 7.706 1.00 0.00 C ATOM 840 CG GLU A 53 7.182 3.116 6.396 1.00 0.00 C ATOM 841 CD GLU A 53 8.159 4.279 6.245 1.00 0.00 C ATOM 842 OE1 GLU A 53 9.302 4.177 6.738 1.00 0.00 O ATOM 843 OE2 GLU A 53 7.802 5.315 5.657 1.00 0.00 O ATOM 0 H GLU A 53 6.523 5.427 6.786 1.00 0.00 H new ATOM 0 HA GLU A 53 4.359 3.806 7.233 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.090 3.377 8.515 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.992 2.162 7.892 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.733 2.177 6.341 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.484 3.125 5.559 1.00 0.00 H new ATOM 850 N LYS A 54 5.869 4.831 10.006 1.00 0.00 N ATOM 851 CA LYS A 54 5.780 4.893 11.459 1.00 0.00 C ATOM 852 C LYS A 54 5.078 6.136 11.994 1.00 0.00 C ATOM 853 O LYS A 54 5.224 6.462 13.162 1.00 0.00 O ATOM 854 CB LYS A 54 7.167 4.658 12.128 1.00 0.00 C ATOM 855 CG LYS A 54 8.368 5.485 11.606 1.00 0.00 C ATOM 856 CD LYS A 54 8.267 7.000 11.861 1.00 0.00 C ATOM 857 CE LYS A 54 8.225 7.368 13.352 1.00 0.00 C ATOM 858 NZ LYS A 54 9.411 6.897 14.095 1.00 0.00 N ATOM 0 H LYS A 54 6.746 5.188 9.627 1.00 0.00 H new ATOM 0 HA LYS A 54 5.129 4.068 11.747 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.062 4.855 13.195 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.416 3.602 12.022 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.279 5.112 12.074 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.468 5.317 10.534 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.119 7.496 11.396 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.370 7.383 11.375 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.147 8.451 13.452 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.328 6.941 13.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.360 7.232 15.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.437 5.857 14.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.272 7.270 13.647 1.00 0.00 H new ATOM 872 N CYS A 55 4.307 6.790 11.158 1.00 0.00 N ATOM 873 CA CYS A 55 3.600 8.009 11.543 1.00 0.00 C ATOM 874 C CYS A 55 2.622 7.829 12.720 1.00 0.00 C ATOM 875 O CYS A 55 2.994 8.041 13.879 1.00 0.00 O ATOM 876 CB CYS A 55 2.907 8.633 10.352 1.00 0.00 C ATOM 877 SG CYS A 55 3.767 10.079 9.661 1.00 0.00 S ATOM 0 H CYS A 55 4.146 6.501 10.193 1.00 0.00 H new ATOM 0 HA CYS A 55 4.370 8.690 11.906 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.802 7.880 9.571 1.00 0.00 H new ATOM 0 HB3 CYS A 55 1.900 8.930 10.646 1.00 0.00 H new ATOM 882 N THR A 56 1.393 7.463 12.438 1.00 0.00 N ATOM 883 CA THR A 56 0.430 7.251 13.478 1.00 0.00 C ATOM 884 C THR A 56 0.384 5.785 13.771 1.00 0.00 C ATOM 885 O THR A 56 0.972 4.998 13.014 1.00 0.00 O ATOM 886 CB THR A 56 -0.975 7.729 13.045 1.00 0.00 C ATOM 887 OG1 THR A 56 -1.370 7.042 11.849 1.00 0.00 O ATOM 888 CG2 THR A 56 -0.981 9.215 12.785 1.00 0.00 C ATOM 0 H THR A 56 1.042 7.307 11.493 1.00 0.00 H new ATOM 0 HA THR A 56 0.722 7.821 14.360 1.00 0.00 H new ATOM 0 HB THR A 56 -1.675 7.510 13.852 1.00 0.00 H new ATOM 0 HG1 THR A 56 -2.261 7.345 11.577 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.980 9.527 12.482 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.695 9.745 13.694 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.272 9.448 11.991 1.00 0.00 H new ATOM 896 N GLU A 57 -0.303 5.399 14.824 1.00 0.00 N ATOM 897 CA GLU A 57 -0.495 4.006 15.101 1.00 0.00 C ATOM 898 C GLU A 57 -1.299 3.377 13.968 1.00 0.00 C ATOM 899 O GLU A 57 -0.977 2.310 13.484 1.00 0.00 O ATOM 900 CB GLU A 57 -1.155 3.798 16.456 1.00 0.00 C ATOM 901 CG GLU A 57 -1.510 2.362 16.746 1.00 0.00 C ATOM 902 CD GLU A 57 -1.886 2.131 18.172 1.00 0.00 C ATOM 903 OE1 GLU A 57 -2.695 2.901 18.719 1.00 0.00 O ATOM 904 OE2 GLU A 57 -1.382 1.153 18.760 1.00 0.00 O ATOM 0 H GLU A 57 -0.734 6.034 15.496 1.00 0.00 H new ATOM 0 HA GLU A 57 0.474 3.510 15.154 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.485 4.161 17.235 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.060 4.403 16.506 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.338 2.061 16.104 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.663 1.725 16.492 1.00 0.00 H new ATOM 911 N ALA A 58 -2.292 4.101 13.503 1.00 0.00 N ATOM 912 CA ALA A 58 -3.121 3.664 12.394 1.00 0.00 C ATOM 913 C ALA A 58 -2.270 3.448 11.137 1.00 0.00 C ATOM 914 O ALA A 58 -2.414 2.426 10.453 1.00 0.00 O ATOM 915 CB ALA A 58 -4.227 4.670 12.130 1.00 0.00 C ATOM 0 H ALA A 58 -2.551 5.012 13.882 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.581 2.712 12.660 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.839 4.327 11.296 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.849 4.769 13.020 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.788 5.637 11.885 1.00 0.00 H new ATOM 921 N GLN A 59 -1.357 4.387 10.863 1.00 0.00 N ATOM 922 CA GLN A 59 -0.482 4.276 9.708 1.00 0.00 C ATOM 923 C GLN A 59 0.570 3.199 9.876 1.00 0.00 C ATOM 924 O GLN A 59 0.787 2.452 8.963 1.00 0.00 O ATOM 925 CB GLN A 59 0.166 5.603 9.298 1.00 0.00 C ATOM 926 CG GLN A 59 -0.820 6.641 8.779 1.00 0.00 C ATOM 927 CD GLN A 59 -0.159 7.912 8.270 1.00 0.00 C ATOM 928 OE1 GLN A 59 -0.732 9.005 8.355 1.00 0.00 O ATOM 929 NE2 GLN A 59 1.028 7.796 7.736 1.00 0.00 N ATOM 0 H GLN A 59 -1.211 5.225 11.426 1.00 0.00 H new ATOM 0 HA GLN A 59 -1.141 3.980 8.892 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.695 6.017 10.156 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.912 5.408 8.527 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.408 6.200 7.974 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.516 6.899 9.577 1.00 0.00 H new ATOM 0 HE21 GLN A 59 1.475 6.881 7.680 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.508 8.621 7.375 1.00 0.00 H new ATOM 938 N GLU A 60 1.214 3.104 11.038 1.00 0.00 N ATOM 939 CA GLU A 60 2.234 2.041 11.238 1.00 0.00 C ATOM 940 C GLU A 60 1.638 0.637 11.104 1.00 0.00 C ATOM 941 O GLU A 60 2.280 -0.274 10.562 1.00 0.00 O ATOM 942 CB GLU A 60 3.003 2.165 12.567 1.00 0.00 C ATOM 943 CG GLU A 60 2.128 2.123 13.792 1.00 0.00 C ATOM 944 CD GLU A 60 2.889 2.018 15.089 1.00 0.00 C ATOM 945 OE1 GLU A 60 4.132 1.966 15.068 1.00 0.00 O ATOM 946 OE2 GLU A 60 2.257 1.963 16.160 1.00 0.00 O ATOM 0 H GLU A 60 1.066 3.720 11.838 1.00 0.00 H new ATOM 0 HA GLU A 60 2.956 2.193 10.435 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.733 1.358 12.628 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.561 3.101 12.565 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.512 3.022 13.816 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.449 1.274 13.712 1.00 0.00 H new ATOM 953 N LYS A 61 0.417 0.460 11.578 1.00 0.00 N ATOM 954 CA LYS A 61 -0.247 -0.830 11.479 1.00 0.00 C ATOM 955 C LYS A 61 -0.725 -1.034 10.051 1.00 0.00 C ATOM 956 O LYS A 61 -0.700 -2.148 9.515 1.00 0.00 O ATOM 957 CB LYS A 61 -1.431 -0.912 12.444 1.00 0.00 C ATOM 958 CG LYS A 61 -1.089 -0.581 13.889 1.00 0.00 C ATOM 959 CD LYS A 61 -0.086 -1.530 14.501 1.00 0.00 C ATOM 960 CE LYS A 61 0.418 -1.004 15.833 1.00 0.00 C ATOM 961 NZ LYS A 61 -0.666 -0.810 16.825 1.00 0.00 N ATOM 0 H LYS A 61 -0.133 1.188 12.033 1.00 0.00 H new ATOM 0 HA LYS A 61 0.461 -1.613 11.749 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.210 -0.230 12.103 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.848 -1.918 12.404 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.694 0.434 13.938 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.002 -0.597 14.483 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.545 -2.508 14.643 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.753 -1.667 13.819 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.153 -1.699 16.238 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.931 -0.056 15.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.303 -0.266 17.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.452 -0.292 16.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.004 -1.736 17.155 1.00 0.00 H new ATOM 975 N GLY A 62 -1.125 0.056 9.431 1.00 0.00 N ATOM 976 CA GLY A 62 -1.590 0.024 8.069 1.00 0.00 C ATOM 977 C GLY A 62 -0.466 -0.225 7.104 1.00 0.00 C ATOM 978 O GLY A 62 -0.632 -0.916 6.103 1.00 0.00 O ATOM 0 H GLY A 62 -1.135 0.982 9.858 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.343 -0.756 7.960 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.074 0.970 7.827 1.00 0.00 H new ATOM 982 N ALA A 63 0.672 0.322 7.409 1.00 0.00 N ATOM 983 CA ALA A 63 1.840 0.136 6.610 1.00 0.00 C ATOM 984 C ALA A 63 2.301 -1.296 6.686 1.00 0.00 C ATOM 985 O ALA A 63 2.583 -1.891 5.686 1.00 0.00 O ATOM 986 CB ALA A 63 2.955 1.077 7.043 1.00 0.00 C ATOM 0 H ALA A 63 0.815 0.915 8.227 1.00 0.00 H new ATOM 0 HA ALA A 63 1.585 0.369 5.576 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.833 0.914 6.417 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.621 2.109 6.938 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.211 0.883 8.085 1.00 0.00 H new ATOM 992 N GLU A 64 2.266 -1.886 7.870 1.00 0.00 N ATOM 993 CA GLU A 64 2.815 -3.219 8.032 1.00 0.00 C ATOM 994 C GLU A 64 1.919 -4.249 7.404 1.00 0.00 C ATOM 995 O GLU A 64 2.380 -5.277 6.937 1.00 0.00 O ATOM 996 CB GLU A 64 3.097 -3.559 9.484 1.00 0.00 C ATOM 997 CG GLU A 64 1.892 -3.757 10.366 1.00 0.00 C ATOM 998 CD GLU A 64 2.297 -4.119 11.756 1.00 0.00 C ATOM 999 OE1 GLU A 64 3.225 -4.943 11.910 1.00 0.00 O ATOM 1000 OE2 GLU A 64 1.763 -3.542 12.712 1.00 0.00 O ATOM 0 H GLU A 64 1.872 -1.473 8.715 1.00 0.00 H new ATOM 0 HA GLU A 64 3.773 -3.230 7.513 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.696 -4.469 9.513 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.707 -2.762 9.910 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.296 -2.844 10.384 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.260 -4.542 9.952 1.00 0.00 H new ATOM 1007 N THR A 65 0.647 -3.962 7.384 1.00 0.00 N ATOM 1008 CA THR A 65 -0.290 -4.824 6.758 1.00 0.00 C ATOM 1009 C THR A 65 -0.171 -4.709 5.243 1.00 0.00 C ATOM 1010 O THR A 65 -0.077 -5.720 4.522 1.00 0.00 O ATOM 1011 CB THR A 65 -1.732 -4.510 7.224 1.00 0.00 C ATOM 1012 OG1 THR A 65 -1.928 -3.101 7.354 1.00 0.00 O ATOM 1013 CG2 THR A 65 -2.094 -5.205 8.520 1.00 0.00 C ATOM 0 H THR A 65 0.241 -3.125 7.802 1.00 0.00 H new ATOM 0 HA THR A 65 -0.066 -5.850 7.050 1.00 0.00 H new ATOM 0 HB THR A 65 -2.396 -4.898 6.452 1.00 0.00 H new ATOM 0 HG1 THR A 65 -1.681 -2.819 8.259 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.116 -4.948 8.798 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.014 -6.284 8.389 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.412 -4.884 9.308 1.00 0.00 H new ATOM 1021 N SER A 66 -0.129 -3.489 4.767 1.00 0.00 N ATOM 1022 CA SER A 66 -0.072 -3.240 3.363 1.00 0.00 C ATOM 1023 C SER A 66 1.255 -3.672 2.738 1.00 0.00 C ATOM 1024 O SER A 66 1.270 -4.226 1.657 1.00 0.00 O ATOM 1025 CB SER A 66 -0.414 -1.800 3.072 1.00 0.00 C ATOM 1026 OG SER A 66 -1.669 -1.493 3.651 1.00 0.00 O ATOM 0 H SER A 66 -0.134 -2.649 5.346 1.00 0.00 H new ATOM 0 HA SER A 66 -0.826 -3.864 2.884 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.356 -1.142 3.475 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.446 -1.632 1.996 1.00 0.00 H new ATOM 0 HG SER A 66 -1.545 -1.258 4.594 1.00 0.00 H new ATOM 1032 N ILE A 67 2.343 -3.452 3.430 1.00 0.00 N ATOM 1033 CA ILE A 67 3.642 -3.868 2.945 1.00 0.00 C ATOM 1034 C ILE A 67 3.731 -5.404 2.942 1.00 0.00 C ATOM 1035 O ILE A 67 4.231 -5.993 1.988 1.00 0.00 O ATOM 1036 CB ILE A 67 4.798 -3.221 3.787 1.00 0.00 C ATOM 1037 CG1 ILE A 67 4.745 -1.680 3.637 1.00 0.00 C ATOM 1038 CG2 ILE A 67 6.162 -3.759 3.349 1.00 0.00 C ATOM 1039 CD1 ILE A 67 5.653 -0.897 4.578 1.00 0.00 C ATOM 0 H ILE A 67 2.359 -2.985 4.337 1.00 0.00 H new ATOM 0 HA ILE A 67 3.763 -3.516 1.921 1.00 0.00 H new ATOM 0 HB ILE A 67 4.660 -3.484 4.836 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.007 -1.423 2.611 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.718 -1.352 3.795 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.946 -3.295 3.948 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.189 -4.839 3.490 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.324 -3.526 2.296 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.539 0.170 4.390 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.381 -1.114 5.611 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.690 -1.186 4.408 1.00 0.00 H new ATOM 1051 N ASP A 68 3.163 -6.035 3.976 1.00 0.00 N ATOM 1052 CA ASP A 68 3.186 -7.502 4.101 1.00 0.00 C ATOM 1053 C ASP A 68 2.563 -8.203 2.914 1.00 0.00 C ATOM 1054 O ASP A 68 3.266 -8.929 2.205 1.00 0.00 O ATOM 1055 CB ASP A 68 2.506 -7.968 5.410 1.00 0.00 C ATOM 1056 CG ASP A 68 2.121 -9.460 5.441 1.00 0.00 C ATOM 1057 OD1 ASP A 68 2.985 -10.335 5.659 1.00 0.00 O ATOM 1058 OD2 ASP A 68 0.923 -9.764 5.295 1.00 0.00 O ATOM 0 H ASP A 68 2.682 -5.557 4.738 1.00 0.00 H new ATOM 0 HA ASP A 68 4.239 -7.783 4.129 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.176 -7.763 6.245 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.607 -7.372 5.569 1.00 0.00 H new ATOM 1063 N TYR A 69 1.287 -7.927 2.606 1.00 0.00 N ATOM 1064 CA TYR A 69 0.676 -8.714 1.554 1.00 0.00 C ATOM 1065 C TYR A 69 1.119 -8.266 0.164 1.00 0.00 C ATOM 1066 O TYR A 69 1.239 -9.092 -0.753 1.00 0.00 O ATOM 1067 CB TYR A 69 -0.862 -8.869 1.648 1.00 0.00 C ATOM 1068 CG TYR A 69 -1.311 -10.175 1.012 1.00 0.00 C ATOM 1069 CD1 TYR A 69 -1.600 -10.269 -0.335 1.00 0.00 C ATOM 1070 CD2 TYR A 69 -1.399 -11.331 1.775 1.00 0.00 C ATOM 1071 CE1 TYR A 69 -1.962 -11.477 -0.905 1.00 0.00 C ATOM 1072 CE2 TYR A 69 -1.765 -12.538 1.213 1.00 0.00 C ATOM 1073 CZ TYR A 69 -2.045 -12.605 -0.130 1.00 0.00 C ATOM 1074 OH TYR A 69 -2.408 -13.815 -0.705 1.00 0.00 O ATOM 0 H TYR A 69 0.701 -7.214 3.041 1.00 0.00 H new ATOM 0 HA TYR A 69 1.060 -9.720 1.723 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.172 -8.842 2.693 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -1.348 -8.030 1.150 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -1.543 -9.386 -0.954 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -1.176 -11.286 2.831 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.179 -11.531 -1.962 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.831 -13.425 1.826 1.00 0.00 H new ATOM 0 HH TYR A 69 -2.418 -14.514 -0.018 1.00 0.00 H new ATOM 1084 N LEU A 70 1.395 -6.978 0.008 1.00 0.00 N ATOM 1085 CA LEU A 70 1.857 -6.456 -1.258 1.00 0.00 C ATOM 1086 C LEU A 70 3.184 -7.128 -1.659 1.00 0.00 C ATOM 1087 O LEU A 70 3.283 -7.682 -2.731 1.00 0.00 O ATOM 1088 CB LEU A 70 2.015 -4.940 -1.160 1.00 0.00 C ATOM 1089 CG LEU A 70 2.241 -4.202 -2.459 1.00 0.00 C ATOM 1090 CD1 LEU A 70 0.989 -4.227 -3.330 1.00 0.00 C ATOM 1091 CD2 LEU A 70 2.672 -2.785 -2.205 1.00 0.00 C ATOM 0 H LEU A 70 1.305 -6.280 0.747 1.00 0.00 H new ATOM 0 HA LEU A 70 1.122 -6.678 -2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.121 -4.533 -0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.852 -4.726 -0.496 1.00 0.00 H new ATOM 0 HG LEU A 70 3.040 -4.714 -2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.181 -3.689 -4.258 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.725 -5.260 -3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.166 -3.751 -2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.828 -2.276 -3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.899 -2.266 -1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.602 -2.784 -1.636 1.00 0.00 H new ATOM 1103 N ILE A 71 4.158 -7.153 -0.763 1.00 0.00 N ATOM 1104 CA ILE A 71 5.455 -7.760 -1.082 1.00 0.00 C ATOM 1105 C ILE A 71 5.327 -9.287 -1.308 1.00 0.00 C ATOM 1106 O ILE A 71 5.962 -9.851 -2.215 1.00 0.00 O ATOM 1107 CB ILE A 71 6.532 -7.471 0.024 1.00 0.00 C ATOM 1108 CG1 ILE A 71 6.768 -5.959 0.189 1.00 0.00 C ATOM 1109 CG2 ILE A 71 7.857 -8.169 -0.292 1.00 0.00 C ATOM 1110 CD1 ILE A 71 7.323 -5.273 -1.039 1.00 0.00 C ATOM 0 H ILE A 71 4.085 -6.768 0.179 1.00 0.00 H new ATOM 0 HA ILE A 71 5.791 -7.296 -2.009 1.00 0.00 H new ATOM 0 HB ILE A 71 6.143 -7.870 0.961 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.825 -5.484 0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.455 -5.800 1.020 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.581 -7.949 0.493 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.697 -9.246 -0.346 1.00 0.00 H new ATOM 0 HG23 ILE A 71 8.238 -7.810 -1.248 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.458 -4.211 -0.833 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.284 -5.717 -1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.628 -5.396 -1.870 1.00 0.00 H new ATOM 1122 N LYS A 72 4.463 -9.937 -0.542 1.00 0.00 N ATOM 1123 CA LYS A 72 4.354 -11.393 -0.611 1.00 0.00 C ATOM 1124 C LYS A 72 3.403 -11.863 -1.739 1.00 0.00 C ATOM 1125 O LYS A 72 3.248 -13.069 -1.956 1.00 0.00 O ATOM 1126 CB LYS A 72 3.938 -11.977 0.761 1.00 0.00 C ATOM 1127 CG LYS A 72 2.478 -11.763 1.100 1.00 0.00 C ATOM 1128 CD LYS A 72 2.193 -11.759 2.606 1.00 0.00 C ATOM 1129 CE LYS A 72 2.655 -12.990 3.341 1.00 0.00 C ATOM 1130 NZ LYS A 72 2.351 -12.865 4.784 1.00 0.00 N ATOM 0 H LYS A 72 3.834 -9.491 0.126 1.00 0.00 H new ATOM 0 HA LYS A 72 5.342 -11.779 -0.862 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.150 -13.046 0.769 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.552 -11.524 1.539 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.150 -10.815 0.674 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.885 -12.547 0.628 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.673 -10.887 3.050 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.120 -11.644 2.758 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.163 -13.873 2.933 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.727 -13.128 3.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.874 -13.592 5.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.635 -11.922 5.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.330 -12.993 4.936 1.00 0.00 H new ATOM 1144 N ASN A 73 2.743 -10.936 -2.440 1.00 0.00 N ATOM 1145 CA ASN A 73 1.899 -11.347 -3.581 1.00 0.00 C ATOM 1146 C ASN A 73 1.963 -10.379 -4.743 1.00 0.00 C ATOM 1147 O ASN A 73 2.379 -10.757 -5.849 1.00 0.00 O ATOM 1148 CB ASN A 73 0.415 -11.521 -3.198 1.00 0.00 C ATOM 1149 CG ASN A 73 -0.449 -11.981 -4.396 1.00 0.00 C ATOM 1150 OD1 ASN A 73 0.031 -12.701 -5.273 1.00 0.00 O ATOM 1151 ND2 ASN A 73 -1.709 -11.562 -4.461 1.00 0.00 N ATOM 0 H ASN A 73 2.769 -9.933 -2.254 1.00 0.00 H new ATOM 0 HA ASN A 73 2.315 -12.308 -3.883 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.333 -12.250 -2.392 1.00 0.00 H new ATOM 0 HB3 ASN A 73 0.028 -10.577 -2.814 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.298 -11.836 -5.248 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.087 -10.966 -3.724 1.00 0.00 H new ATOM 1158 N GLU A 74 1.625 -9.140 -4.504 1.00 0.00 N ATOM 1159 CA GLU A 74 1.499 -8.201 -5.582 1.00 0.00 C ATOM 1160 C GLU A 74 2.652 -7.209 -5.615 1.00 0.00 C ATOM 1161 O GLU A 74 2.570 -6.084 -5.144 1.00 0.00 O ATOM 1162 CB GLU A 74 0.107 -7.532 -5.590 1.00 0.00 C ATOM 1163 CG GLU A 74 -0.105 -6.557 -6.732 1.00 0.00 C ATOM 1164 CD GLU A 74 0.219 -7.161 -8.071 1.00 0.00 C ATOM 1165 OE1 GLU A 74 1.388 -7.286 -8.378 1.00 0.00 O ATOM 1166 OE2 GLU A 74 -0.695 -7.513 -8.824 1.00 0.00 O ATOM 0 H GLU A 74 1.433 -8.760 -3.577 1.00 0.00 H new ATOM 0 HA GLU A 74 1.571 -8.757 -6.517 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.657 -8.308 -5.642 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.037 -7.006 -4.646 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.141 -6.220 -6.730 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.517 -5.676 -6.574 1.00 0.00 H new ATOM 1173 N LEU A 75 3.727 -7.660 -6.154 1.00 0.00 N ATOM 1174 CA LEU A 75 4.923 -6.876 -6.220 1.00 0.00 C ATOM 1175 C LEU A 75 4.898 -5.941 -7.440 1.00 0.00 C ATOM 1176 O LEU A 75 5.648 -4.965 -7.493 1.00 0.00 O ATOM 1177 CB LEU A 75 6.149 -7.800 -6.251 1.00 0.00 C ATOM 1178 CG LEU A 75 7.517 -7.139 -6.055 1.00 0.00 C ATOM 1179 CD1 LEU A 75 7.607 -6.495 -4.682 1.00 0.00 C ATOM 1180 CD2 LEU A 75 8.627 -8.159 -6.226 1.00 0.00 C ATOM 0 H LEU A 75 3.810 -8.589 -6.567 1.00 0.00 H new ATOM 0 HA LEU A 75 4.985 -6.249 -5.331 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.023 -8.557 -5.477 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.158 -8.321 -7.208 1.00 0.00 H new ATOM 0 HG LEU A 75 7.634 -6.363 -6.812 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.586 -6.031 -4.561 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.831 -5.736 -4.585 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.469 -7.256 -3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.592 -7.673 -6.084 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.508 -8.953 -5.489 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.579 -8.584 -7.228 1.00 0.00 H new ATOM 1192 N GLU A 76 3.987 -6.193 -8.380 1.00 0.00 N ATOM 1193 CA GLU A 76 3.919 -5.405 -9.604 1.00 0.00 C ATOM 1194 C GLU A 76 3.398 -4.019 -9.271 1.00 0.00 C ATOM 1195 O GLU A 76 3.889 -3.006 -9.781 1.00 0.00 O ATOM 1196 CB GLU A 76 2.996 -6.065 -10.633 1.00 0.00 C ATOM 1197 CG GLU A 76 3.312 -7.527 -10.920 1.00 0.00 C ATOM 1198 CD GLU A 76 4.670 -7.740 -11.522 1.00 0.00 C ATOM 1199 OE1 GLU A 76 4.805 -7.625 -12.763 1.00 0.00 O ATOM 1200 OE2 GLU A 76 5.603 -8.087 -10.792 1.00 0.00 O ATOM 0 H GLU A 76 3.290 -6.934 -8.315 1.00 0.00 H new ATOM 0 HA GLU A 76 4.918 -5.340 -10.035 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.968 -5.991 -10.280 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.053 -5.504 -11.566 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.242 -8.094 -9.992 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.557 -7.928 -11.596 1.00 0.00 H new ATOM 1207 N ILE A 77 2.427 -3.973 -8.389 1.00 0.00 N ATOM 1208 CA ILE A 77 1.861 -2.713 -7.952 1.00 0.00 C ATOM 1209 C ILE A 77 2.814 -2.001 -6.992 1.00 0.00 C ATOM 1210 O ILE A 77 2.857 -0.767 -6.939 1.00 0.00 O ATOM 1211 CB ILE A 77 0.431 -2.891 -7.369 1.00 0.00 C ATOM 1212 CG1 ILE A 77 -0.492 -3.402 -8.492 1.00 0.00 C ATOM 1213 CG2 ILE A 77 -0.107 -1.591 -6.750 1.00 0.00 C ATOM 1214 CD1 ILE A 77 -1.936 -3.585 -8.095 1.00 0.00 C ATOM 0 H ILE A 77 2.009 -4.797 -7.957 1.00 0.00 H new ATOM 0 HA ILE A 77 1.744 -2.069 -8.823 1.00 0.00 H new ATOM 0 HB ILE A 77 0.465 -3.618 -6.558 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.446 -2.702 -9.327 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.106 -4.355 -8.854 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.108 -1.763 -6.356 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.552 -1.273 -5.942 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.146 -0.814 -7.513 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.506 -3.947 -8.951 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.001 -4.309 -7.283 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.346 -2.631 -7.764 1.00 0.00 H new ATOM 1226 N TRP A 78 3.627 -2.776 -6.280 1.00 0.00 N ATOM 1227 CA TRP A 78 4.658 -2.199 -5.433 1.00 0.00 C ATOM 1228 C TRP A 78 5.651 -1.457 -6.320 1.00 0.00 C ATOM 1229 O TRP A 78 6.090 -0.354 -5.994 1.00 0.00 O ATOM 1230 CB TRP A 78 5.376 -3.278 -4.607 1.00 0.00 C ATOM 1231 CG TRP A 78 6.451 -2.729 -3.701 1.00 0.00 C ATOM 1232 CD1 TRP A 78 6.285 -2.189 -2.458 1.00 0.00 C ATOM 1233 CD2 TRP A 78 7.856 -2.662 -3.976 1.00 0.00 C ATOM 1234 NE1 TRP A 78 7.493 -1.795 -1.947 1.00 0.00 N ATOM 1235 CE2 TRP A 78 8.472 -2.074 -2.857 1.00 0.00 C ATOM 1236 CE3 TRP A 78 8.650 -3.041 -5.059 1.00 0.00 C ATOM 1237 CZ2 TRP A 78 9.841 -1.858 -2.792 1.00 0.00 C ATOM 1238 CZ3 TRP A 78 10.004 -2.826 -4.991 1.00 0.00 C ATOM 1239 CH2 TRP A 78 10.590 -2.238 -3.868 1.00 0.00 C ATOM 0 H TRP A 78 3.591 -3.795 -6.274 1.00 0.00 H new ATOM 0 HA TRP A 78 4.197 -1.509 -4.726 1.00 0.00 H new ATOM 0 HB2 TRP A 78 4.641 -3.811 -4.004 1.00 0.00 H new ATOM 0 HB3 TRP A 78 5.821 -4.007 -5.285 1.00 0.00 H new ATOM 0 HD1 TRP A 78 5.337 -2.087 -1.951 1.00 0.00 H new ATOM 0 HE1 TRP A 78 7.638 -1.363 -1.034 1.00 0.00 H new ATOM 0 HE3 TRP A 78 8.208 -3.495 -5.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 10.297 -1.406 -1.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 10.629 -3.117 -5.823 1.00 0.00 H new ATOM 0 HH2 TRP A 78 11.658 -2.081 -3.851 1.00 0.00 H new ATOM 1250 N LYS A 79 5.973 -2.063 -7.460 1.00 0.00 N ATOM 1251 CA LYS A 79 6.842 -1.450 -8.462 1.00 0.00 C ATOM 1252 C LYS A 79 6.255 -0.129 -8.938 1.00 0.00 C ATOM 1253 O LYS A 79 6.971 0.838 -9.126 1.00 0.00 O ATOM 1254 CB LYS A 79 7.047 -2.384 -9.656 1.00 0.00 C ATOM 1255 CG LYS A 79 7.856 -3.629 -9.352 1.00 0.00 C ATOM 1256 CD LYS A 79 7.899 -4.556 -10.557 1.00 0.00 C ATOM 1257 CE LYS A 79 8.861 -5.713 -10.351 1.00 0.00 C ATOM 1258 NZ LYS A 79 10.268 -5.252 -10.246 1.00 0.00 N ATOM 0 H LYS A 79 5.639 -2.992 -7.715 1.00 0.00 H new ATOM 0 HA LYS A 79 7.810 -1.265 -7.996 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.071 -2.685 -10.037 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.543 -1.830 -10.453 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.870 -3.348 -9.068 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.420 -4.152 -8.501 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.900 -4.946 -10.750 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.197 -3.990 -11.440 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.588 -6.255 -9.445 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.770 -6.413 -11.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.909 -6.063 -10.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.460 -4.551 -10.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.423 -4.819 -9.313 1.00 0.00 H new ATOM 1272 N GLU A 80 4.945 -0.092 -9.090 1.00 0.00 N ATOM 1273 CA GLU A 80 4.268 1.116 -9.517 1.00 0.00 C ATOM 1274 C GLU A 80 4.348 2.216 -8.463 1.00 0.00 C ATOM 1275 O GLU A 80 4.623 3.374 -8.794 1.00 0.00 O ATOM 1276 CB GLU A 80 2.819 0.845 -9.899 1.00 0.00 C ATOM 1277 CG GLU A 80 2.670 -0.136 -11.039 1.00 0.00 C ATOM 1278 CD GLU A 80 1.278 -0.167 -11.584 1.00 0.00 C ATOM 1279 OE1 GLU A 80 0.885 0.790 -12.275 1.00 0.00 O ATOM 1280 OE2 GLU A 80 0.533 -1.127 -11.323 1.00 0.00 O ATOM 0 H GLU A 80 4.328 -0.887 -8.924 1.00 0.00 H new ATOM 0 HA GLU A 80 4.791 1.468 -10.406 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.288 0.461 -9.028 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.342 1.786 -10.175 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.364 0.129 -11.837 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.945 -1.133 -10.695 1.00 0.00 H new ATOM 1287 N LEU A 81 4.132 1.862 -7.199 1.00 0.00 N ATOM 1288 CA LEU A 81 4.183 2.852 -6.121 1.00 0.00 C ATOM 1289 C LEU A 81 5.607 3.357 -5.931 1.00 0.00 C ATOM 1290 O LEU A 81 5.835 4.558 -5.748 1.00 0.00 O ATOM 1291 CB LEU A 81 3.611 2.306 -4.793 1.00 0.00 C ATOM 1292 CG LEU A 81 2.185 1.732 -4.855 1.00 0.00 C ATOM 1293 CD1 LEU A 81 1.757 1.216 -3.491 1.00 0.00 C ATOM 1294 CD2 LEU A 81 1.189 2.777 -5.371 1.00 0.00 C ATOM 0 H LEU A 81 3.922 0.911 -6.896 1.00 0.00 H new ATOM 0 HA LEU A 81 3.548 3.687 -6.418 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.279 1.526 -4.427 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.625 3.110 -4.057 1.00 0.00 H new ATOM 0 HG LEU A 81 2.190 0.898 -5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.746 0.814 -3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.440 0.430 -3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.778 2.033 -2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.190 2.342 -5.404 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.188 3.639 -4.704 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.480 3.094 -6.373 1.00 0.00 H new ATOM 1306 N THR A 82 6.561 2.457 -6.049 1.00 0.00 N ATOM 1307 CA THR A 82 7.942 2.824 -5.905 1.00 0.00 C ATOM 1308 C THR A 82 8.425 3.646 -7.085 1.00 0.00 C ATOM 1309 O THR A 82 9.187 4.566 -6.914 1.00 0.00 O ATOM 1310 CB THR A 82 8.848 1.616 -5.663 1.00 0.00 C ATOM 1311 OG1 THR A 82 8.564 0.573 -6.607 1.00 0.00 O ATOM 1312 CG2 THR A 82 8.675 1.097 -4.264 1.00 0.00 C ATOM 0 H THR A 82 6.399 1.469 -6.244 1.00 0.00 H new ATOM 0 HA THR A 82 8.005 3.448 -5.013 1.00 0.00 H new ATOM 0 HB THR A 82 9.881 1.938 -5.795 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.744 0.106 -6.342 1.00 0.00 H new ATOM 0 HG21 THR A 82 9.328 0.238 -4.111 1.00 0.00 H new ATOM 0 HG22 THR A 82 8.933 1.880 -3.551 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.638 0.796 -4.113 1.00 0.00 H new ATOM 1320 N ALA A 83 7.931 3.341 -8.284 1.00 0.00 N ATOM 1321 CA ALA A 83 8.259 4.126 -9.474 1.00 0.00 C ATOM 1322 C ALA A 83 7.665 5.519 -9.368 1.00 0.00 C ATOM 1323 O ALA A 83 8.134 6.474 -9.998 1.00 0.00 O ATOM 1324 CB ALA A 83 7.786 3.431 -10.742 1.00 0.00 C ATOM 0 H ALA A 83 7.303 2.557 -8.458 1.00 0.00 H new ATOM 0 HA ALA A 83 9.344 4.215 -9.532 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.045 4.040 -11.609 1.00 0.00 H new ATOM 0 HB2 ALA A 83 8.269 2.457 -10.825 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.705 3.297 -10.702 1.00 0.00 H new ATOM 1330 N HIS A 84 6.631 5.627 -8.577 1.00 0.00 N ATOM 1331 CA HIS A 84 5.976 6.880 -8.334 1.00 0.00 C ATOM 1332 C HIS A 84 6.823 7.724 -7.364 1.00 0.00 C ATOM 1333 O HIS A 84 6.872 8.949 -7.482 1.00 0.00 O ATOM 1334 CB HIS A 84 4.555 6.624 -7.772 1.00 0.00 C ATOM 1335 CG HIS A 84 3.694 7.843 -7.571 1.00 0.00 C ATOM 1336 ND1 HIS A 84 2.655 8.178 -8.410 1.00 0.00 N ATOM 1337 CD2 HIS A 84 3.688 8.776 -6.591 1.00 0.00 C ATOM 1338 CE1 HIS A 84 2.055 9.255 -7.952 1.00 0.00 C ATOM 1339 NE2 HIS A 84 2.665 9.629 -6.856 1.00 0.00 N ATOM 0 H HIS A 84 6.217 4.839 -8.079 1.00 0.00 H new ATOM 0 HA HIS A 84 5.875 7.435 -9.266 1.00 0.00 H new ATOM 0 HB2 HIS A 84 4.036 5.945 -8.448 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.651 6.110 -6.816 1.00 0.00 H new ATOM 0 HD2 HIS A 84 4.369 8.832 -5.755 1.00 0.00 H new ATOM 0 HE1 HIS A 84 1.205 9.746 -8.403 1.00 0.00 H new ATOM 0 HE2 HIS A 84 2.411 10.437 -6.288 1.00 0.00 H new ATOM 1348 N PHE A 85 7.503 7.074 -6.430 1.00 0.00 N ATOM 1349 CA PHE A 85 8.304 7.796 -5.449 1.00 0.00 C ATOM 1350 C PHE A 85 9.792 7.840 -5.850 1.00 0.00 C ATOM 1351 O PHE A 85 10.304 8.913 -6.208 1.00 0.00 O ATOM 1352 CB PHE A 85 8.130 7.190 -4.059 1.00 0.00 C ATOM 1353 CG PHE A 85 8.661 8.049 -2.942 1.00 0.00 C ATOM 1354 CD1 PHE A 85 7.944 9.151 -2.499 1.00 0.00 C ATOM 1355 CD2 PHE A 85 9.860 7.751 -2.328 1.00 0.00 C ATOM 1356 CE1 PHE A 85 8.417 9.931 -1.465 1.00 0.00 C ATOM 1357 CE2 PHE A 85 10.340 8.529 -1.294 1.00 0.00 C ATOM 1358 CZ PHE A 85 9.618 9.620 -0.863 1.00 0.00 C ATOM 0 H PHE A 85 7.517 6.059 -6.330 1.00 0.00 H new ATOM 0 HA PHE A 85 7.945 8.825 -5.422 1.00 0.00 H new ATOM 0 HB2 PHE A 85 7.070 7.003 -3.886 1.00 0.00 H new ATOM 0 HB3 PHE A 85 8.633 6.224 -4.030 1.00 0.00 H new ATOM 0 HD1 PHE A 85 7.005 9.401 -2.969 1.00 0.00 H new ATOM 0 HD2 PHE A 85 10.431 6.897 -2.661 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.848 10.784 -1.127 1.00 0.00 H new ATOM 0 HE2 PHE A 85 11.280 8.283 -0.823 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.992 10.231 -0.055 1.00 0.00 H new ATOM 1368 N ASP A 86 10.464 6.695 -5.826 1.00 0.00 N ATOM 1369 CA ASP A 86 11.893 6.605 -6.180 1.00 0.00 C ATOM 1370 C ASP A 86 12.287 5.210 -6.697 1.00 0.00 C ATOM 1371 O ASP A 86 12.600 4.304 -5.913 1.00 0.00 O ATOM 1372 CB ASP A 86 12.821 7.006 -5.024 1.00 0.00 C ATOM 1373 CG ASP A 86 14.277 6.739 -5.367 1.00 0.00 C ATOM 1374 OD1 ASP A 86 14.730 7.182 -6.437 1.00 0.00 O ATOM 1375 OD2 ASP A 86 14.982 6.077 -4.571 1.00 0.00 O ATOM 0 H ASP A 86 10.045 5.803 -5.564 1.00 0.00 H new ATOM 0 HA ASP A 86 12.027 7.324 -6.988 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.687 8.064 -4.797 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.549 6.450 -4.127 1.00 0.00 H new ATOM 1380 N PRO A 87 12.154 4.987 -8.010 1.00 0.00 N ATOM 1381 CA PRO A 87 12.591 3.748 -8.654 1.00 0.00 C ATOM 1382 C PRO A 87 14.107 3.676 -8.899 1.00 0.00 C ATOM 1383 O PRO A 87 14.676 2.593 -9.041 1.00 0.00 O ATOM 1384 CB PRO A 87 11.858 3.760 -9.992 1.00 0.00 C ATOM 1385 CG PRO A 87 11.634 5.204 -10.303 1.00 0.00 C ATOM 1386 CD PRO A 87 11.555 5.930 -8.983 1.00 0.00 C ATOM 0 HA PRO A 87 12.371 2.889 -8.020 1.00 0.00 H new ATOM 0 HB2 PRO A 87 12.450 3.277 -10.770 1.00 0.00 H new ATOM 0 HB3 PRO A 87 10.913 3.220 -9.928 1.00 0.00 H new ATOM 0 HG2 PRO A 87 12.447 5.598 -10.912 1.00 0.00 H new ATOM 0 HG3 PRO A 87 10.715 5.338 -10.873 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.103 6.872 -9.014 1.00 0.00 H new ATOM 0 HD3 PRO A 87 10.524 6.170 -8.722 1.00 0.00 H new ATOM 1394 N ASP A 88 14.752 4.828 -8.940 1.00 0.00 N ATOM 1395 CA ASP A 88 16.116 4.903 -9.471 1.00 0.00 C ATOM 1396 C ASP A 88 17.204 5.137 -8.424 1.00 0.00 C ATOM 1397 O ASP A 88 18.365 4.781 -8.650 1.00 0.00 O ATOM 1398 CB ASP A 88 16.148 6.011 -10.537 1.00 0.00 C ATOM 1399 CG ASP A 88 17.530 6.350 -11.053 1.00 0.00 C ATOM 1400 OD1 ASP A 88 18.044 5.641 -11.938 1.00 0.00 O ATOM 1401 OD2 ASP A 88 18.112 7.361 -10.593 1.00 0.00 O ATOM 0 H ASP A 88 14.367 5.716 -8.619 1.00 0.00 H new ATOM 0 HA ASP A 88 16.351 3.926 -9.892 1.00 0.00 H new ATOM 0 HB2 ASP A 88 15.525 5.706 -11.378 1.00 0.00 H new ATOM 0 HB3 ASP A 88 15.700 6.912 -10.119 1.00 0.00 H new ATOM 1406 N GLY A 89 16.853 5.673 -7.292 1.00 0.00 N ATOM 1407 CA GLY A 89 17.846 5.929 -6.281 1.00 0.00 C ATOM 1408 C GLY A 89 18.088 4.722 -5.433 1.00 0.00 C ATOM 1409 O GLY A 89 18.912 3.857 -5.766 1.00 0.00 O ATOM 0 H GLY A 89 15.900 5.940 -7.044 1.00 0.00 H new ATOM 0 HA2 GLY A 89 18.779 6.235 -6.755 1.00 0.00 H new ATOM 0 HA3 GLY A 89 17.521 6.758 -5.652 1.00 0.00 H new ATOM 1413 N LYS A 90 17.372 4.637 -4.357 1.00 0.00 N ATOM 1414 CA LYS A 90 17.487 3.510 -3.490 1.00 0.00 C ATOM 1415 C LYS A 90 16.745 2.348 -4.080 1.00 0.00 C ATOM 1416 O LYS A 90 17.360 1.429 -4.636 1.00 0.00 O ATOM 1417 CB LYS A 90 16.989 3.817 -2.070 1.00 0.00 C ATOM 1418 CG LYS A 90 17.953 4.624 -1.210 1.00 0.00 C ATOM 1419 CD LYS A 90 19.221 3.829 -0.927 1.00 0.00 C ATOM 1420 CE LYS A 90 20.133 4.544 0.045 1.00 0.00 C ATOM 1421 NZ LYS A 90 21.371 3.773 0.306 1.00 0.00 N ATOM 0 H LYS A 90 16.697 5.341 -4.057 1.00 0.00 H new ATOM 0 HA LYS A 90 18.544 3.257 -3.400 1.00 0.00 H new ATOM 0 HB2 LYS A 90 16.047 4.361 -2.141 1.00 0.00 H new ATOM 0 HB3 LYS A 90 16.776 2.875 -1.564 1.00 0.00 H new ATOM 0 HG2 LYS A 90 18.208 5.555 -1.717 1.00 0.00 H new ATOM 0 HG3 LYS A 90 17.471 4.894 -0.271 1.00 0.00 H new ATOM 0 HD2 LYS A 90 18.954 2.853 -0.522 1.00 0.00 H new ATOM 0 HD3 LYS A 90 19.754 3.652 -1.861 1.00 0.00 H new ATOM 0 HE2 LYS A 90 20.393 5.524 -0.354 1.00 0.00 H new ATOM 0 HE3 LYS A 90 19.604 4.712 0.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 21.970 4.295 0.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 21.125 2.847 0.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 21.888 3.635 -0.586 1.00 0.00 H new ATOM 1435 N TRP A 91 15.406 2.445 -4.021 1.00 0.00 N ATOM 1436 CA TRP A 91 14.433 1.421 -4.467 1.00 0.00 C ATOM 1437 C TRP A 91 14.597 0.087 -3.697 1.00 0.00 C ATOM 1438 O TRP A 91 13.698 -0.368 -2.984 1.00 0.00 O ATOM 1439 CB TRP A 91 14.512 1.202 -5.989 1.00 0.00 C ATOM 1440 CG TRP A 91 13.364 0.408 -6.520 1.00 0.00 C ATOM 1441 CD1 TRP A 91 12.081 0.829 -6.606 1.00 0.00 C ATOM 1442 CD2 TRP A 91 13.388 -0.926 -7.044 1.00 0.00 C ATOM 1443 NE1 TRP A 91 11.290 -0.156 -7.126 1.00 0.00 N ATOM 1444 CE2 TRP A 91 12.068 -1.246 -7.411 1.00 0.00 C ATOM 1445 CE3 TRP A 91 14.386 -1.880 -7.233 1.00 0.00 C ATOM 1446 CZ2 TRP A 91 11.724 -2.479 -7.957 1.00 0.00 C ATOM 1447 CZ3 TRP A 91 14.043 -3.103 -7.775 1.00 0.00 C ATOM 1448 CH2 TRP A 91 12.724 -3.392 -8.131 1.00 0.00 C ATOM 0 H TRP A 91 14.947 3.275 -3.645 1.00 0.00 H new ATOM 0 HA TRP A 91 13.439 1.802 -4.235 1.00 0.00 H new ATOM 0 HB2 TRP A 91 14.541 2.170 -6.490 1.00 0.00 H new ATOM 0 HB3 TRP A 91 15.444 0.691 -6.230 1.00 0.00 H new ATOM 0 HD1 TRP A 91 11.732 1.806 -6.306 1.00 0.00 H new ATOM 0 HE1 TRP A 91 10.283 -0.090 -7.277 1.00 0.00 H new ATOM 0 HE3 TRP A 91 15.409 -1.667 -6.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 10.705 -2.705 -8.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 14.809 -3.849 -7.926 1.00 0.00 H new ATOM 0 HH2 TRP A 91 12.490 -4.358 -8.553 1.00 0.00 H new ATOM 1459 N ARG A 92 15.761 -0.466 -3.820 1.00 0.00 N ATOM 1460 CA ARG A 92 16.174 -1.713 -3.226 1.00 0.00 C ATOM 1461 C ARG A 92 16.107 -1.653 -1.699 1.00 0.00 C ATOM 1462 O ARG A 92 15.713 -2.625 -1.055 1.00 0.00 O ATOM 1463 CB ARG A 92 17.586 -2.009 -3.718 1.00 0.00 C ATOM 1464 CG ARG A 92 17.636 -2.333 -5.201 1.00 0.00 C ATOM 1465 CD ARG A 92 18.952 -1.924 -5.841 1.00 0.00 C ATOM 1466 NE ARG A 92 19.061 -0.449 -5.978 1.00 0.00 N ATOM 1467 CZ ARG A 92 19.581 0.185 -7.049 1.00 0.00 C ATOM 1468 NH1 ARG A 92 20.096 -0.514 -8.056 1.00 0.00 N ATOM 1469 NH2 ARG A 92 19.591 1.519 -7.111 1.00 0.00 N ATOM 0 H ARG A 92 16.502 -0.036 -4.373 1.00 0.00 H new ATOM 0 HA ARG A 92 15.500 -2.516 -3.524 1.00 0.00 H new ATOM 0 HB2 ARG A 92 18.224 -1.148 -3.517 1.00 0.00 H new ATOM 0 HB3 ARG A 92 17.994 -2.847 -3.154 1.00 0.00 H new ATOM 0 HG2 ARG A 92 17.484 -3.403 -5.341 1.00 0.00 H new ATOM 0 HG3 ARG A 92 16.816 -1.826 -5.708 1.00 0.00 H new ATOM 0 HD2 ARG A 92 19.781 -2.296 -5.238 1.00 0.00 H new ATOM 0 HD3 ARG A 92 19.039 -2.388 -6.823 1.00 0.00 H new ATOM 0 HE ARG A 92 18.718 0.125 -5.208 1.00 0.00 H new ATOM 0 HH11 ARG A 92 20.099 -1.533 -8.020 1.00 0.00 H new ATOM 0 HH12 ARG A 92 20.488 -0.031 -8.864 1.00 0.00 H new ATOM 0 HH21 ARG A 92 19.203 2.068 -6.344 1.00 0.00 H new ATOM 0 HH22 ARG A 92 19.987 1.989 -7.925 1.00 0.00 H new ATOM 1483 N LYS A 93 16.466 -0.496 -1.120 1.00 0.00 N ATOM 1484 CA LYS A 93 16.380 -0.315 0.330 1.00 0.00 C ATOM 1485 C LYS A 93 14.953 -0.455 0.775 1.00 0.00 C ATOM 1486 O LYS A 93 14.699 -1.070 1.744 1.00 0.00 O ATOM 1487 CB LYS A 93 16.929 1.049 0.804 1.00 0.00 C ATOM 1488 CG LYS A 93 16.921 1.217 2.343 1.00 0.00 C ATOM 1489 CD LYS A 93 17.382 2.604 2.775 1.00 0.00 C ATOM 1490 CE LYS A 93 17.474 2.750 4.309 1.00 0.00 C ATOM 1491 NZ LYS A 93 16.177 2.529 5.012 1.00 0.00 N ATOM 0 H LYS A 93 16.814 0.316 -1.630 1.00 0.00 H new ATOM 0 HA LYS A 93 17.003 -1.088 0.780 1.00 0.00 H new ATOM 0 HB2 LYS A 93 17.949 1.168 0.439 1.00 0.00 H new ATOM 0 HB3 LYS A 93 16.335 1.846 0.356 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.915 1.037 2.721 1.00 0.00 H new ATOM 0 HG3 LYS A 93 17.569 0.465 2.792 1.00 0.00 H new ATOM 0 HD2 LYS A 93 18.357 2.812 2.335 1.00 0.00 H new ATOM 0 HD3 LYS A 93 16.691 3.350 2.384 1.00 0.00 H new ATOM 0 HE2 LYS A 93 18.209 2.040 4.689 1.00 0.00 H new ATOM 0 HE3 LYS A 93 17.841 3.748 4.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 16.138 3.124 5.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.391 2.780 4.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 16.096 1.529 5.284 1.00 0.00 H new ATOM 1505 N LYS A 94 14.029 0.086 0.002 1.00 0.00 N ATOM 1506 CA LYS A 94 12.603 0.038 0.340 1.00 0.00 C ATOM 1507 C LYS A 94 12.165 -1.422 0.448 1.00 0.00 C ATOM 1508 O LYS A 94 11.523 -1.835 1.425 1.00 0.00 O ATOM 1509 CB LYS A 94 11.793 0.727 -0.760 1.00 0.00 C ATOM 1510 CG LYS A 94 12.223 2.154 -1.061 1.00 0.00 C ATOM 1511 CD LYS A 94 11.502 2.688 -2.286 1.00 0.00 C ATOM 1512 CE LYS A 94 11.893 4.126 -2.593 1.00 0.00 C ATOM 1513 NZ LYS A 94 11.446 5.051 -1.539 1.00 0.00 N ATOM 0 H LYS A 94 14.235 0.569 -0.872 1.00 0.00 H new ATOM 0 HA LYS A 94 12.434 0.548 1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 94 11.870 0.138 -1.674 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.742 0.731 -0.471 1.00 0.00 H new ATOM 0 HG2 LYS A 94 12.011 2.791 -0.202 1.00 0.00 H new ATOM 0 HG3 LYS A 94 13.300 2.187 -1.224 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.731 2.058 -3.145 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.425 2.631 -2.127 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.976 4.193 -2.700 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.459 4.425 -3.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.832 5.999 -1.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.407 5.095 -1.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.783 4.713 -0.615 1.00 0.00 H new ATOM 1527 N TYR A 95 12.595 -2.189 -0.545 1.00 0.00 N ATOM 1528 CA TYR A 95 12.297 -3.605 -0.663 1.00 0.00 C ATOM 1529 C TYR A 95 12.870 -4.388 0.532 1.00 0.00 C ATOM 1530 O TYR A 95 12.129 -5.038 1.272 1.00 0.00 O ATOM 1531 CB TYR A 95 12.911 -4.105 -1.986 1.00 0.00 C ATOM 1532 CG TYR A 95 12.591 -5.527 -2.388 1.00 0.00 C ATOM 1533 CD1 TYR A 95 11.357 -5.853 -2.936 1.00 0.00 C ATOM 1534 CD2 TYR A 95 13.539 -6.531 -2.265 1.00 0.00 C ATOM 1535 CE1 TYR A 95 11.078 -7.141 -3.345 1.00 0.00 C ATOM 1536 CE2 TYR A 95 13.264 -7.819 -2.668 1.00 0.00 C ATOM 1537 CZ TYR A 95 12.034 -8.118 -3.209 1.00 0.00 C ATOM 1538 OH TYR A 95 11.759 -9.401 -3.612 1.00 0.00 O ATOM 0 H TYR A 95 13.173 -1.833 -1.306 1.00 0.00 H new ATOM 0 HA TYR A 95 11.218 -3.762 -0.663 1.00 0.00 H new ATOM 0 HB2 TYR A 95 12.581 -3.443 -2.786 1.00 0.00 H new ATOM 0 HB3 TYR A 95 13.994 -4.006 -1.917 1.00 0.00 H new ATOM 0 HD1 TYR A 95 10.604 -5.086 -3.044 1.00 0.00 H new ATOM 0 HD2 TYR A 95 14.508 -6.300 -1.847 1.00 0.00 H new ATOM 0 HE1 TYR A 95 10.114 -7.379 -3.769 1.00 0.00 H new ATOM 0 HE2 TYR A 95 14.011 -8.592 -2.560 1.00 0.00 H new ATOM 0 HH TYR A 95 12.155 -9.559 -4.494 1.00 0.00 H new ATOM 1548 N GLU A 96 14.169 -4.265 0.748 1.00 0.00 N ATOM 1549 CA GLU A 96 14.847 -5.010 1.802 1.00 0.00 C ATOM 1550 C GLU A 96 14.452 -4.541 3.197 1.00 0.00 C ATOM 1551 O GLU A 96 14.054 -5.348 4.038 1.00 0.00 O ATOM 1552 CB GLU A 96 16.362 -4.919 1.649 1.00 0.00 C ATOM 1553 CG GLU A 96 16.910 -5.548 0.384 1.00 0.00 C ATOM 1554 CD GLU A 96 18.409 -5.460 0.329 1.00 0.00 C ATOM 1555 OE1 GLU A 96 19.085 -6.214 1.067 1.00 0.00 O ATOM 1556 OE2 GLU A 96 18.948 -4.624 -0.425 1.00 0.00 O ATOM 0 H GLU A 96 14.780 -3.654 0.206 1.00 0.00 H new ATOM 0 HA GLU A 96 14.530 -6.047 1.693 1.00 0.00 H new ATOM 0 HB2 GLU A 96 16.653 -3.869 1.672 1.00 0.00 H new ATOM 0 HB3 GLU A 96 16.830 -5.398 2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 96 16.604 -6.593 0.334 1.00 0.00 H new ATOM 0 HG3 GLU A 96 16.483 -5.049 -0.486 1.00 0.00 H new ATOM 1563 N ASP A 97 14.526 -3.240 3.410 1.00 0.00 N ATOM 1564 CA ASP A 97 14.314 -2.607 4.721 1.00 0.00 C ATOM 1565 C ASP A 97 12.971 -2.965 5.281 1.00 0.00 C ATOM 1566 O ASP A 97 12.877 -3.463 6.390 1.00 0.00 O ATOM 1567 CB ASP A 97 14.432 -1.082 4.598 1.00 0.00 C ATOM 1568 CG ASP A 97 14.472 -0.323 5.901 1.00 0.00 C ATOM 1569 OD1 ASP A 97 13.422 -0.115 6.528 1.00 0.00 O ATOM 1570 OD2 ASP A 97 15.566 0.153 6.272 1.00 0.00 O ATOM 0 H ASP A 97 14.739 -2.572 2.670 1.00 0.00 H new ATOM 0 HA ASP A 97 15.082 -2.976 5.401 1.00 0.00 H new ATOM 0 HB2 ASP A 97 15.336 -0.850 4.035 1.00 0.00 H new ATOM 0 HB3 ASP A 97 13.589 -0.717 4.011 1.00 0.00 H new ATOM 1575 N ARG A 98 11.936 -2.790 4.492 1.00 0.00 N ATOM 1576 CA ARG A 98 10.607 -3.030 4.998 1.00 0.00 C ATOM 1577 C ARG A 98 10.217 -4.491 5.055 1.00 0.00 C ATOM 1578 O ARG A 98 9.464 -4.890 5.953 1.00 0.00 O ATOM 1579 CB ARG A 98 9.559 -2.139 4.339 1.00 0.00 C ATOM 1580 CG ARG A 98 9.725 -0.668 4.706 1.00 0.00 C ATOM 1581 CD ARG A 98 9.601 -0.489 6.214 1.00 0.00 C ATOM 1582 NE ARG A 98 9.837 0.868 6.672 1.00 0.00 N ATOM 1583 CZ ARG A 98 10.432 1.159 7.844 1.00 0.00 C ATOM 1584 NH1 ARG A 98 11.052 0.195 8.544 1.00 0.00 N ATOM 1585 NH2 ARG A 98 10.463 2.399 8.279 1.00 0.00 N ATOM 0 H ARG A 98 11.986 -2.489 3.519 1.00 0.00 H new ATOM 0 HA ARG A 98 10.640 -2.728 6.045 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.623 -2.249 3.256 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.565 -2.474 4.635 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.697 -0.308 4.368 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.969 -0.070 4.197 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.603 -0.797 6.525 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.308 -1.156 6.707 1.00 0.00 H new ATOM 0 HE ARG A 98 9.537 1.640 6.076 1.00 0.00 H new ATOM 0 HH11 ARG A 98 11.073 -0.761 8.188 1.00 0.00 H new ATOM 0 HH12 ARG A 98 11.502 0.418 9.432 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.036 3.144 7.728 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.914 2.617 9.167 1.00 0.00 H new ATOM 1599 N ALA A 99 10.743 -5.296 4.161 1.00 0.00 N ATOM 1600 CA ALA A 99 10.455 -6.715 4.194 1.00 0.00 C ATOM 1601 C ALA A 99 11.130 -7.364 5.403 1.00 0.00 C ATOM 1602 O ALA A 99 10.473 -8.035 6.212 1.00 0.00 O ATOM 1603 CB ALA A 99 10.902 -7.383 2.910 1.00 0.00 C ATOM 0 H ALA A 99 11.366 -5.000 3.409 1.00 0.00 H new ATOM 0 HA ALA A 99 9.377 -6.847 4.286 1.00 0.00 H new ATOM 0 HB1 ALA A 99 10.676 -8.448 2.956 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.376 -6.937 2.066 1.00 0.00 H new ATOM 0 HB3 ALA A 99 11.976 -7.245 2.783 1.00 0.00 H new ATOM 1609 N LYS A 100 12.416 -7.091 5.575 1.00 0.00 N ATOM 1610 CA LYS A 100 13.208 -7.716 6.634 1.00 0.00 C ATOM 1611 C LYS A 100 12.900 -7.126 8.012 1.00 0.00 C ATOM 1612 O LYS A 100 13.209 -7.735 9.029 1.00 0.00 O ATOM 1613 CB LYS A 100 14.714 -7.610 6.336 1.00 0.00 C ATOM 1614 CG LYS A 100 15.150 -8.227 5.000 1.00 0.00 C ATOM 1615 CD LYS A 100 14.898 -9.735 4.920 1.00 0.00 C ATOM 1616 CE LYS A 100 15.771 -10.518 5.892 1.00 0.00 C ATOM 1617 NZ LYS A 100 15.539 -11.969 5.782 1.00 0.00 N ATOM 0 H LYS A 100 12.939 -6.437 4.992 1.00 0.00 H new ATOM 0 HA LYS A 100 12.926 -8.769 6.655 1.00 0.00 H new ATOM 0 HB2 LYS A 100 14.999 -6.558 6.344 1.00 0.00 H new ATOM 0 HB3 LYS A 100 15.265 -8.096 7.142 1.00 0.00 H new ATOM 0 HG2 LYS A 100 14.617 -7.733 4.188 1.00 0.00 H new ATOM 0 HG3 LYS A 100 16.212 -8.034 4.848 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.848 -9.938 5.133 1.00 0.00 H new ATOM 0 HD3 LYS A 100 15.089 -10.080 3.904 1.00 0.00 H new ATOM 0 HE2 LYS A 100 16.821 -10.301 5.695 1.00 0.00 H new ATOM 0 HE3 LYS A 100 15.564 -10.192 6.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 16.318 -12.481 6.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 14.641 -12.213 6.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 15.494 -12.238 4.778 1.00 0.00 H new ATOM 1631 N ALA A 101 12.294 -5.947 8.046 1.00 0.00 N ATOM 1632 CA ALA A 101 11.932 -5.314 9.320 1.00 0.00 C ATOM 1633 C ALA A 101 10.767 -6.040 9.965 1.00 0.00 C ATOM 1634 O ALA A 101 10.620 -6.053 11.191 1.00 0.00 O ATOM 1635 CB ALA A 101 11.574 -3.850 9.121 1.00 0.00 C ATOM 0 H ALA A 101 12.042 -5.408 7.217 1.00 0.00 H new ATOM 0 HA ALA A 101 12.799 -5.375 9.977 1.00 0.00 H new ATOM 0 HB1 ALA A 101 11.310 -3.406 10.081 1.00 0.00 H new ATOM 0 HB2 ALA A 101 12.428 -3.321 8.699 1.00 0.00 H new ATOM 0 HB3 ALA A 101 10.727 -3.772 8.440 1.00 0.00 H new ATOM 1641 N LYS A 102 9.927 -6.615 9.134 1.00 0.00 N ATOM 1642 CA LYS A 102 8.774 -7.334 9.604 1.00 0.00 C ATOM 1643 C LYS A 102 9.006 -8.829 9.598 1.00 0.00 C ATOM 1644 O LYS A 102 8.693 -9.513 10.566 1.00 0.00 O ATOM 1645 CB LYS A 102 7.562 -6.954 8.769 1.00 0.00 C ATOM 1646 CG LYS A 102 7.158 -5.504 8.943 1.00 0.00 C ATOM 1647 CD LYS A 102 6.637 -5.255 10.353 1.00 0.00 C ATOM 1648 CE LYS A 102 6.260 -3.808 10.566 1.00 0.00 C ATOM 1649 NZ LYS A 102 5.633 -3.593 11.886 1.00 0.00 N ATOM 0 H LYS A 102 10.027 -6.595 8.119 1.00 0.00 H new ATOM 0 HA LYS A 102 8.588 -7.054 10.641 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.778 -7.142 7.717 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.724 -7.595 9.042 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.013 -4.857 8.746 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.389 -5.246 8.215 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.768 -5.887 10.536 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.399 -5.542 11.078 1.00 0.00 H new ATOM 0 HE2 LYS A 102 7.150 -3.184 10.480 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.573 -3.492 9.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.312 -2.607 11.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.819 -4.231 11.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 6.326 -3.790 12.636 1.00 0.00 H new ATOM 1663 N GLY A 103 9.568 -9.331 8.535 1.00 0.00 N ATOM 1664 CA GLY A 103 9.805 -10.748 8.463 1.00 0.00 C ATOM 1665 C GLY A 103 9.355 -11.348 7.156 1.00 0.00 C ATOM 1666 O GLY A 103 9.057 -12.545 7.082 1.00 0.00 O ATOM 0 H GLY A 103 9.866 -8.794 7.720 1.00 0.00 H new ATOM 0 HA2 GLY A 103 10.869 -10.942 8.600 1.00 0.00 H new ATOM 0 HA3 GLY A 103 9.283 -11.241 9.283 1.00 0.00 H new ATOM 1670 N ILE A 104 9.297 -10.544 6.129 1.00 0.00 N ATOM 1671 CA ILE A 104 8.953 -11.026 4.820 1.00 0.00 C ATOM 1672 C ILE A 104 10.234 -11.501 4.181 1.00 0.00 C ATOM 1673 O ILE A 104 11.229 -10.769 4.164 1.00 0.00 O ATOM 1674 CB ILE A 104 8.288 -9.921 3.929 1.00 0.00 C ATOM 1675 CG1 ILE A 104 7.003 -9.377 4.574 1.00 0.00 C ATOM 1676 CG2 ILE A 104 7.994 -10.436 2.524 1.00 0.00 C ATOM 1677 CD1 ILE A 104 6.002 -10.446 4.941 1.00 0.00 C ATOM 0 H ILE A 104 9.486 -9.543 6.176 1.00 0.00 H new ATOM 0 HA ILE A 104 8.219 -11.827 4.909 1.00 0.00 H new ATOM 0 HB ILE A 104 9.005 -9.104 3.850 1.00 0.00 H new ATOM 0 HG12 ILE A 104 7.267 -8.817 5.471 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.533 -8.674 3.887 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.533 -9.643 1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.924 -10.748 2.049 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.314 -11.286 2.583 1.00 0.00 H new ATOM 0 HD11 ILE A 104 5.123 -9.983 5.390 1.00 0.00 H new ATOM 0 HD12 ILE A 104 5.707 -10.991 4.044 1.00 0.00 H new ATOM 0 HD13 ILE A 104 6.452 -11.137 5.654 1.00 0.00 H new ATOM 1689 N VAL A 105 10.236 -12.709 3.706 1.00 0.00 N ATOM 1690 CA VAL A 105 11.418 -13.264 3.125 1.00 0.00 C ATOM 1691 C VAL A 105 11.380 -13.085 1.607 1.00 0.00 C ATOM 1692 O VAL A 105 10.381 -13.398 0.936 1.00 0.00 O ATOM 1693 CB VAL A 105 11.650 -14.741 3.559 1.00 0.00 C ATOM 1694 CG1 VAL A 105 10.548 -15.665 3.096 1.00 0.00 C ATOM 1695 CG2 VAL A 105 13.011 -15.237 3.127 1.00 0.00 C ATOM 0 H VAL A 105 9.428 -13.331 3.710 1.00 0.00 H new ATOM 0 HA VAL A 105 12.283 -12.719 3.503 1.00 0.00 H new ATOM 0 HB VAL A 105 11.623 -14.752 4.649 1.00 0.00 H new ATOM 0 HG11 VAL A 105 10.762 -16.681 3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 105 9.598 -15.339 3.519 1.00 0.00 H new ATOM 0 HG13 VAL A 105 10.488 -15.643 2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 105 13.140 -16.271 3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 105 13.091 -15.180 2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 105 13.785 -14.618 3.581 1.00 0.00 H new ATOM 1705 N ILE A 106 12.440 -12.544 1.083 1.00 0.00 N ATOM 1706 CA ILE A 106 12.542 -12.171 -0.313 1.00 0.00 C ATOM 1707 C ILE A 106 13.929 -12.536 -0.805 1.00 0.00 C ATOM 1708 O ILE A 106 14.759 -12.965 0.008 1.00 0.00 O ATOM 1709 CB ILE A 106 12.346 -10.609 -0.520 1.00 0.00 C ATOM 1710 CG1 ILE A 106 13.460 -9.743 0.178 1.00 0.00 C ATOM 1711 CG2 ILE A 106 10.957 -10.154 -0.102 1.00 0.00 C ATOM 1712 CD1 ILE A 106 13.448 -9.714 1.690 1.00 0.00 C ATOM 0 H ILE A 106 13.283 -12.341 1.621 1.00 0.00 H new ATOM 0 HA ILE A 106 11.762 -12.696 -0.864 1.00 0.00 H new ATOM 0 HB ILE A 106 12.450 -10.439 -1.592 1.00 0.00 H new ATOM 0 HG12 ILE A 106 14.432 -10.112 -0.148 1.00 0.00 H new ATOM 0 HG13 ILE A 106 13.371 -8.718 -0.183 1.00 0.00 H new ATOM 0 HG21 ILE A 106 10.863 -9.079 -0.259 1.00 0.00 H new ATOM 0 HG22 ILE A 106 10.208 -10.675 -0.699 1.00 0.00 H new ATOM 0 HG23 ILE A 106 10.802 -10.381 0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 106 14.263 -9.085 2.048 1.00 0.00 H new ATOM 0 HD12 ILE A 106 12.497 -9.311 2.039 1.00 0.00 H new ATOM 0 HD13 ILE A 106 13.575 -10.726 2.074 1.00 0.00 H new ATOM 1724 N PRO A 107 14.198 -12.466 -2.128 1.00 0.00 N ATOM 1725 CA PRO A 107 15.561 -12.539 -2.634 1.00 0.00 C ATOM 1726 C PRO A 107 16.384 -11.405 -2.002 1.00 0.00 C ATOM 1727 O PRO A 107 16.173 -10.220 -2.299 1.00 0.00 O ATOM 1728 CB PRO A 107 15.412 -12.323 -4.154 1.00 0.00 C ATOM 1729 CG PRO A 107 14.020 -11.818 -4.346 1.00 0.00 C ATOM 1730 CD PRO A 107 13.215 -12.396 -3.226 1.00 0.00 C ATOM 0 HA PRO A 107 16.064 -13.478 -2.405 1.00 0.00 H new ATOM 0 HB2 PRO A 107 16.145 -11.606 -4.523 1.00 0.00 H new ATOM 0 HB3 PRO A 107 15.572 -13.252 -4.701 1.00 0.00 H new ATOM 0 HG2 PRO A 107 13.993 -10.729 -4.324 1.00 0.00 H new ATOM 0 HG3 PRO A 107 13.622 -12.127 -5.313 1.00 0.00 H new ATOM 0 HD2 PRO A 107 12.365 -11.764 -2.969 1.00 0.00 H new ATOM 0 HD3 PRO A 107 12.817 -13.379 -3.478 1.00 0.00 H new ATOM 1738 N GLU A 108 17.250 -11.759 -1.101 1.00 0.00 N ATOM 1739 CA GLU A 108 17.996 -10.798 -0.336 1.00 0.00 C ATOM 1740 C GLU A 108 19.489 -10.873 -0.629 1.00 0.00 C ATOM 1741 O GLU A 108 20.231 -11.616 0.053 1.00 0.00 O ATOM 1742 CB GLU A 108 17.658 -10.962 1.156 1.00 0.00 C ATOM 1743 CG GLU A 108 17.664 -12.413 1.633 1.00 0.00 C ATOM 1744 CD GLU A 108 17.268 -12.559 3.069 1.00 0.00 C ATOM 1745 OE1 GLU A 108 18.117 -12.361 3.948 1.00 0.00 O ATOM 1746 OE2 GLU A 108 16.099 -12.897 3.352 1.00 0.00 O ATOM 1747 OXT GLU A 108 19.926 -10.205 -1.579 1.00 0.00 O ATOM 0 H GLU A 108 17.463 -12.730 -0.872 1.00 0.00 H new ATOM 0 HA GLU A 108 17.702 -9.792 -0.635 1.00 0.00 H new ATOM 0 HB2 GLU A 108 18.376 -10.392 1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 108 16.675 -10.531 1.346 1.00 0.00 H new ATOM 0 HG2 GLU A 108 16.983 -12.996 1.013 1.00 0.00 H new ATOM 0 HG3 GLU A 108 18.661 -12.832 1.492 1.00 0.00 H new