USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 825 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 69 TYR OH : rot -166:sc= 1 USER MOD Set 1.2: A 73 SER OG : rot 157:sc= 0.839 USER MOD Set 2.1: A 22 CYS SG : rot 180:sc= -0.712 USER MOD Set 2.2: A 43 ASN : amide:sc= -1.2 K(o=-1.9,f=-7.5!) USER MOD Set 3.1: A 1 MET N :NH3+ -176:sc=-0.000171 (180deg=-0.0085) USER MOD Set 3.2: A 33 ASN : amide:sc= -0.507 K(o=-0.51,f=0.47) USER MOD Set 4.1: A 17 ASN : amide:sc= 0.325 X(o=0.76,f=0.93) USER MOD Set 4.2: A 18 SER OG : rot -162:sc= 0.439 USER MOD Set 5.1: A 9 SER OG : rot 31:sc= 0.408 USER MOD Set 5.2: A 16 SER OG : rot 120:sc= -0.125 USER MOD Set 6.1: A 10 MET CE :methyl 159:sc= -0.373 (180deg=-0.735) USER MOD Set 6.2: A 24 TYR OH : rot 146:sc= 0.171 USER MOD Single : A 1 MET CE :methyl -169:sc= -0.0748 (180deg=-0.348) USER MOD Single : A 3 ASN : amide:sc= -0.168 K(o=-0.17,f=-0.85) USER MOD Single : A 4 MET CE :methyl -132:sc= 0 (180deg=-0.524) USER MOD Single : A 5 LYS NZ :NH3+ 170:sc= 1.3 (180deg=1.19) USER MOD Single : A 14 LYS NZ :NH3+ -155:sc= 0.942 (180deg=0.483) USER MOD Single : A 23 LYS NZ :NH3+ -153:sc= 1.95 (180deg=1.28) USER MOD Single : A 36 LYS NZ :NH3+ -151:sc= -0.504 (180deg=-2.36!) USER MOD Single : A 37 SER OG : rot 180:sc=-0.00158 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 76:sc= 0.0532 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -152:sc= 1.27 (180deg=1.17) USER MOD Single : A 63 ASN : amide:sc= 0.642 K(o=0.64,f=-0.016) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0292 K(o=-0.029,f=-0.79) USER MOD Single : A 70 LYS NZ :NH3+ -158:sc= -0.0421 (180deg=-0.373) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0161) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.245 X(o=-0.24,f=-0.057) USER MOD Single : A 88 LYS NZ :NH3+ 176:sc= -1.02 (180deg=-1.06) USER MOD Single : A 89 ASN : amide:sc= 1.44 K(o=1.4,f=-6!) USER MOD Single : A 91 SER OG : rot 34:sc= 0.404 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 25 N MET A 1 16.558 -0.902 5.843 1.00 0.00 N ATOM 26 CA MET A 1 15.358 -1.348 6.535 1.00 0.00 C ATOM 27 C MET A 1 15.147 -2.813 6.204 1.00 0.00 C ATOM 28 O MET A 1 15.426 -3.211 5.071 1.00 0.00 O ATOM 29 CB MET A 1 14.095 -0.604 6.078 1.00 0.00 C ATOM 30 CG MET A 1 12.962 -0.984 7.042 1.00 0.00 C ATOM 31 SD MET A 1 11.775 -2.166 6.394 1.00 0.00 S ATOM 32 CE MET A 1 10.821 -2.381 7.917 1.00 0.00 C ATOM 0 H1 MET A 1 16.765 0.083 6.106 1.00 0.00 H new ATOM 0 H2 MET A 1 17.359 -1.508 6.112 1.00 0.00 H new ATOM 0 H3 MET A 1 16.409 -0.961 4.816 1.00 0.00 H new ATOM 0 HA MET A 1 15.505 -1.160 7.599 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.260 0.473 6.086 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.837 -0.879 5.055 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.402 -1.395 7.951 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.429 -0.077 7.328 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.141 -3.226 7.804 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.500 -2.570 8.748 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.246 -1.477 8.117 1.00 0.00 H new ATOM 42 N ILE A 2 14.597 -3.589 7.132 1.00 0.00 N ATOM 43 CA ILE A 2 14.410 -5.014 6.979 1.00 0.00 C ATOM 44 C ILE A 2 12.971 -5.359 7.357 1.00 0.00 C ATOM 45 O ILE A 2 12.460 -4.917 8.384 1.00 0.00 O ATOM 46 CB ILE A 2 15.420 -5.752 7.874 1.00 0.00 C ATOM 47 CG1 ILE A 2 16.878 -5.279 7.643 1.00 0.00 C ATOM 48 CG2 ILE A 2 15.270 -7.260 7.664 1.00 0.00 C ATOM 49 CD1 ILE A 2 17.855 -5.850 8.664 1.00 0.00 C ATOM 0 H ILE A 2 14.264 -3.231 8.027 1.00 0.00 H new ATOM 0 HA ILE A 2 14.582 -5.323 5.948 1.00 0.00 H new ATOM 0 HB ILE A 2 15.197 -5.512 8.914 1.00 0.00 H new ATOM 0 HG12 ILE A 2 17.195 -5.571 6.642 1.00 0.00 H new ATOM 0 HG13 ILE A 2 16.912 -4.190 7.684 1.00 0.00 H new ATOM 0 HG21 ILE A 2 15.984 -7.788 8.296 1.00 0.00 H new ATOM 0 HG22 ILE A 2 14.257 -7.565 7.927 1.00 0.00 H new ATOM 0 HG23 ILE A 2 15.462 -7.503 6.619 1.00 0.00 H new ATOM 0 HD11 ILE A 2 18.859 -5.484 8.451 1.00 0.00 H new ATOM 0 HD12 ILE A 2 17.559 -5.537 9.665 1.00 0.00 H new ATOM 0 HD13 ILE A 2 17.846 -6.938 8.607 1.00 0.00 H new ATOM 61 N ASN A 3 12.374 -6.239 6.558 1.00 0.00 N ATOM 62 CA ASN A 3 11.076 -6.866 6.747 1.00 0.00 C ATOM 63 C ASN A 3 9.913 -5.875 6.691 1.00 0.00 C ATOM 64 O ASN A 3 9.054 -5.823 7.577 1.00 0.00 O ATOM 65 CB ASN A 3 11.048 -7.784 7.976 1.00 0.00 C ATOM 66 CG ASN A 3 9.764 -8.600 8.012 1.00 0.00 C ATOM 67 OD1 ASN A 3 9.298 -9.098 6.989 1.00 0.00 O ATOM 68 ND2 ASN A 3 9.192 -8.786 9.186 1.00 0.00 N ATOM 0 H ASN A 3 12.822 -6.554 5.697 1.00 0.00 H new ATOM 0 HA ASN A 3 10.922 -7.518 5.887 1.00 0.00 H new ATOM 0 HB2 ASN A 3 11.909 -8.453 7.956 1.00 0.00 H new ATOM 0 HB3 ASN A 3 11.130 -7.186 8.884 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.347 -9.352 9.257 1.00 0.00 H new ATOM 0 HD22 ASN A 3 9.595 -8.364 10.022 1.00 0.00 H new ATOM 75 N MET A 4 9.881 -5.085 5.620 1.00 0.00 N ATOM 76 CA MET A 4 8.752 -4.238 5.252 1.00 0.00 C ATOM 77 C MET A 4 7.737 -5.095 4.498 1.00 0.00 C ATOM 78 O MET A 4 8.100 -6.074 3.831 1.00 0.00 O ATOM 79 CB MET A 4 9.248 -3.109 4.335 1.00 0.00 C ATOM 80 CG MET A 4 8.949 -1.676 4.776 1.00 0.00 C ATOM 81 SD MET A 4 9.999 -0.489 3.874 1.00 0.00 S ATOM 82 CE MET A 4 9.951 0.923 5.009 1.00 0.00 C ATOM 0 H MET A 4 10.662 -5.016 4.967 1.00 0.00 H new ATOM 0 HA MET A 4 8.293 -3.806 6.141 1.00 0.00 H new ATOM 0 HB2 MET A 4 10.328 -3.211 4.225 1.00 0.00 H new ATOM 0 HB3 MET A 4 8.811 -3.258 3.347 1.00 0.00 H new ATOM 0 HG2 MET A 4 7.898 -1.448 4.598 1.00 0.00 H new ATOM 0 HG3 MET A 4 9.119 -1.578 5.848 1.00 0.00 H new ATOM 0 HE1 MET A 4 9.731 1.832 4.449 1.00 0.00 H new ATOM 0 HE2 MET A 4 9.176 0.762 5.758 1.00 0.00 H new ATOM 0 HE3 MET A 4 10.917 1.026 5.503 1.00 0.00 H new ATOM 92 N LYS A 5 6.475 -4.679 4.543 1.00 0.00 N ATOM 93 CA LYS A 5 5.394 -5.239 3.741 1.00 0.00 C ATOM 94 C LYS A 5 4.417 -4.122 3.440 1.00 0.00 C ATOM 95 O LYS A 5 3.854 -3.572 4.381 1.00 0.00 O ATOM 96 CB LYS A 5 4.655 -6.321 4.542 1.00 0.00 C ATOM 97 CG LYS A 5 5.247 -7.701 4.300 1.00 0.00 C ATOM 98 CD LYS A 5 4.392 -8.802 4.923 1.00 0.00 C ATOM 99 CE LYS A 5 3.238 -9.177 3.995 1.00 0.00 C ATOM 100 NZ LYS A 5 3.672 -10.037 2.885 1.00 0.00 N ATOM 0 H LYS A 5 6.169 -3.923 5.155 1.00 0.00 H new ATOM 0 HA LYS A 5 5.797 -5.676 2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.705 -6.085 5.605 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.601 -6.323 4.265 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.338 -7.874 3.228 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.253 -7.743 4.716 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.007 -9.680 5.120 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.999 -8.466 5.883 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.466 -9.690 4.568 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.788 -8.269 3.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.838 -10.403 2.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.258 -9.485 2.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.227 -10.833 3.259 1.00 0.00 H new ATOM 114 N VAL A 6 4.143 -3.814 2.181 1.00 0.00 N ATOM 115 CA VAL A 6 3.156 -2.800 1.827 1.00 0.00 C ATOM 116 C VAL A 6 2.144 -3.410 0.880 1.00 0.00 C ATOM 117 O VAL A 6 2.456 -4.397 0.213 1.00 0.00 O ATOM 118 CB VAL A 6 3.878 -1.563 1.272 1.00 0.00 C ATOM 119 CG1 VAL A 6 2.985 -0.541 0.563 1.00 0.00 C ATOM 120 CG2 VAL A 6 4.593 -0.855 2.413 1.00 0.00 C ATOM 0 H VAL A 6 4.594 -4.255 1.380 1.00 0.00 H new ATOM 0 HA VAL A 6 2.596 -2.458 2.697 1.00 0.00 H new ATOM 0 HB VAL A 6 4.560 -1.946 0.513 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.594 0.291 0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.492 -1.015 -0.286 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.232 -0.171 1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.109 0.025 2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.865 -0.550 3.165 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.318 -1.532 2.864 1.00 0.00 H new ATOM 130 N ALA A 7 0.942 -2.837 0.832 1.00 0.00 N ATOM 131 CA ALA A 7 -0.012 -3.012 -0.251 1.00 0.00 C ATOM 132 C ALA A 7 -0.117 -1.688 -1.017 1.00 0.00 C ATOM 133 O ALA A 7 -0.526 -0.687 -0.425 1.00 0.00 O ATOM 134 CB ALA A 7 -1.362 -3.439 0.343 1.00 0.00 C ATOM 0 H ALA A 7 0.600 -2.221 1.569 1.00 0.00 H new ATOM 0 HA ALA A 7 0.308 -3.788 -0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.087 -3.574 -0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.241 -4.378 0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.718 -2.669 1.028 1.00 0.00 H new ATOM 140 N ILE A 8 0.236 -1.659 -2.309 1.00 0.00 N ATOM 141 CA ILE A 8 0.085 -0.478 -3.174 1.00 0.00 C ATOM 142 C ILE A 8 -1.119 -0.716 -4.093 1.00 0.00 C ATOM 143 O ILE A 8 -1.204 -1.773 -4.723 1.00 0.00 O ATOM 144 CB ILE A 8 1.385 -0.186 -3.970 1.00 0.00 C ATOM 145 CG1 ILE A 8 2.604 -0.102 -3.024 1.00 0.00 C ATOM 146 CG2 ILE A 8 1.228 1.129 -4.756 1.00 0.00 C ATOM 147 CD1 ILE A 8 3.907 0.407 -3.657 1.00 0.00 C ATOM 0 H ILE A 8 0.639 -2.463 -2.790 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.094 0.411 -2.568 1.00 0.00 H new ATOM 0 HB ILE A 8 1.556 -1.005 -4.669 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.348 0.551 -2.190 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.787 -1.093 -2.609 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.143 1.331 -5.314 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.392 1.041 -5.450 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.038 1.947 -4.062 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.695 0.425 -2.904 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.199 -0.256 -4.472 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.754 1.414 -4.046 1.00 0.00 H new ATOM 159 N SER A 9 -2.043 0.247 -4.159 1.00 0.00 N ATOM 160 CA SER A 9 -3.308 0.142 -4.870 1.00 0.00 C ATOM 161 C SER A 9 -3.076 0.371 -6.367 1.00 0.00 C ATOM 162 O SER A 9 -2.877 1.514 -6.795 1.00 0.00 O ATOM 163 CB SER A 9 -4.324 1.115 -4.232 1.00 0.00 C ATOM 164 OG SER A 9 -4.007 2.492 -4.371 1.00 0.00 O ATOM 0 H SER A 9 -1.921 1.150 -3.701 1.00 0.00 H new ATOM 0 HA SER A 9 -3.734 -0.857 -4.782 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.303 0.937 -4.677 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.409 0.883 -3.170 1.00 0.00 H new ATOM 0 HG SER A 9 -3.513 2.631 -5.206 1.00 0.00 H new ATOM 170 N MET A 10 -3.098 -0.678 -7.187 1.00 0.00 N ATOM 171 CA MET A 10 -2.779 -0.585 -8.608 1.00 0.00 C ATOM 172 C MET A 10 -4.042 -0.613 -9.453 1.00 0.00 C ATOM 173 O MET A 10 -5.058 -1.196 -9.065 1.00 0.00 O ATOM 174 CB MET A 10 -1.863 -1.741 -9.034 1.00 0.00 C ATOM 175 CG MET A 10 -0.577 -1.816 -8.198 1.00 0.00 C ATOM 176 SD MET A 10 1.051 -1.813 -9.033 1.00 0.00 S ATOM 177 CE MET A 10 0.845 -0.774 -10.509 1.00 0.00 C ATOM 0 H MET A 10 -3.339 -1.621 -6.881 1.00 0.00 H new ATOM 0 HA MET A 10 -2.265 0.363 -8.767 1.00 0.00 H new ATOM 0 HB2 MET A 10 -2.406 -2.682 -8.943 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.602 -1.624 -10.086 1.00 0.00 H new ATOM 0 HG2 MET A 10 -0.589 -0.974 -7.506 1.00 0.00 H new ATOM 0 HG3 MET A 10 -0.632 -2.723 -7.597 1.00 0.00 H new ATOM 0 HE1 MET A 10 1.820 -0.422 -10.845 1.00 0.00 H new ATOM 0 HE2 MET A 10 0.376 -1.357 -11.302 1.00 0.00 H new ATOM 0 HE3 MET A 10 0.215 0.082 -10.267 1.00 0.00 H new ATOM 187 N ASP A 11 -3.965 0.022 -10.617 1.00 0.00 N ATOM 188 CA ASP A 11 -4.938 -0.123 -11.687 1.00 0.00 C ATOM 189 C ASP A 11 -4.442 -1.274 -12.564 1.00 0.00 C ATOM 190 O ASP A 11 -4.763 -2.423 -12.299 1.00 0.00 O ATOM 191 CB ASP A 11 -5.098 1.222 -12.421 1.00 0.00 C ATOM 192 CG ASP A 11 -6.518 1.381 -12.944 1.00 0.00 C ATOM 193 OD1 ASP A 11 -6.820 0.816 -14.017 1.00 0.00 O ATOM 194 OD2 ASP A 11 -7.320 2.043 -12.242 1.00 0.00 O ATOM 0 H ASP A 11 -3.207 0.665 -10.845 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.939 -0.371 -11.334 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.860 2.042 -11.744 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.391 1.277 -13.249 1.00 0.00 H new ATOM 199 N VAL A 12 -3.559 -1.039 -13.529 1.00 0.00 N ATOM 200 CA VAL A 12 -3.126 -2.068 -14.467 1.00 0.00 C ATOM 201 C VAL A 12 -1.632 -1.930 -14.665 1.00 0.00 C ATOM 202 O VAL A 12 -0.914 -2.933 -14.727 1.00 0.00 O ATOM 203 CB VAL A 12 -3.935 -1.909 -15.765 1.00 0.00 C ATOM 204 CG1 VAL A 12 -3.386 -2.733 -16.940 1.00 0.00 C ATOM 205 CG2 VAL A 12 -5.386 -2.345 -15.502 1.00 0.00 C ATOM 0 H VAL A 12 -3.123 -0.130 -13.683 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.310 -3.076 -14.096 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.867 -0.859 -16.050 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.008 -2.570 -17.820 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.363 -2.423 -17.155 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.397 -3.791 -16.679 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.970 -2.237 -16.416 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.401 -3.387 -15.184 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.817 -1.721 -14.720 1.00 0.00 H new ATOM 215 N ASP A 13 -1.163 -0.686 -14.742 1.00 0.00 N ATOM 216 CA ASP A 13 0.228 -0.389 -14.990 1.00 0.00 C ATOM 217 C ASP A 13 0.736 0.782 -14.146 1.00 0.00 C ATOM 218 O ASP A 13 1.882 1.208 -14.283 1.00 0.00 O ATOM 219 CB ASP A 13 0.406 -0.169 -16.496 1.00 0.00 C ATOM 220 CG ASP A 13 1.853 -0.400 -16.894 1.00 0.00 C ATOM 221 OD1 ASP A 13 2.188 -1.576 -17.167 1.00 0.00 O ATOM 222 OD2 ASP A 13 2.617 0.588 -16.931 1.00 0.00 O ATOM 0 H ASP A 13 -1.749 0.142 -14.632 1.00 0.00 H new ATOM 0 HA ASP A 13 0.846 -1.232 -14.679 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.243 -0.848 -17.049 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.106 0.845 -16.760 1.00 0.00 H new ATOM 227 N LYS A 14 -0.092 1.336 -13.261 1.00 0.00 N ATOM 228 CA LYS A 14 0.297 2.402 -12.330 1.00 0.00 C ATOM 229 C LYS A 14 -0.728 2.527 -11.208 1.00 0.00 C ATOM 230 O LYS A 14 -1.673 1.737 -11.137 1.00 0.00 O ATOM 231 CB LYS A 14 0.519 3.741 -13.070 1.00 0.00 C ATOM 232 CG LYS A 14 -0.537 4.059 -14.143 1.00 0.00 C ATOM 233 CD LYS A 14 -0.083 3.951 -15.609 1.00 0.00 C ATOM 234 CE LYS A 14 1.315 4.499 -15.927 1.00 0.00 C ATOM 235 NZ LYS A 14 2.351 3.441 -16.066 1.00 0.00 N ATOM 0 H LYS A 14 -1.068 1.054 -13.167 1.00 0.00 H new ATOM 0 HA LYS A 14 1.252 2.135 -11.876 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.530 4.549 -12.338 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.502 3.723 -13.540 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.383 3.387 -13.998 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.901 5.072 -13.973 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.114 2.901 -15.901 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.807 4.477 -16.232 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.269 5.075 -16.851 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.615 5.188 -15.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.287 3.843 -15.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.150 2.668 -15.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.341 3.071 -17.038 1.00 0.00 H new ATOM 249 N ILE A 15 -0.490 3.487 -10.316 1.00 0.00 N ATOM 250 CA ILE A 15 -1.322 3.802 -9.162 1.00 0.00 C ATOM 251 C ILE A 15 -2.772 4.037 -9.614 1.00 0.00 C ATOM 252 O ILE A 15 -3.043 4.824 -10.529 1.00 0.00 O ATOM 253 CB ILE A 15 -0.669 4.982 -8.397 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.669 4.516 -7.770 1.00 0.00 C ATOM 255 CG2 ILE A 15 -1.599 5.537 -7.313 1.00 0.00 C ATOM 256 CD1 ILE A 15 1.596 5.625 -7.263 1.00 0.00 C ATOM 0 H ILE A 15 0.327 4.093 -10.384 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.380 2.972 -8.457 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.480 5.786 -9.108 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.444 3.849 -6.938 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.210 3.929 -8.512 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.107 6.362 -6.799 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.521 5.894 -7.772 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.832 4.750 -6.596 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.500 5.181 -6.846 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.863 6.283 -8.090 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.086 6.201 -6.491 1.00 0.00 H new ATOM 268 N SER A 16 -3.699 3.326 -8.972 1.00 0.00 N ATOM 269 CA SER A 16 -5.136 3.522 -9.136 1.00 0.00 C ATOM 270 C SER A 16 -5.574 4.824 -8.459 1.00 0.00 C ATOM 271 O SER A 16 -4.901 5.333 -7.558 1.00 0.00 O ATOM 272 CB SER A 16 -5.908 2.345 -8.529 1.00 0.00 C ATOM 273 OG SER A 16 -5.484 2.065 -7.206 1.00 0.00 O ATOM 0 H SER A 16 -3.466 2.584 -8.312 1.00 0.00 H new ATOM 0 HA SER A 16 -5.355 3.580 -10.202 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.974 2.571 -8.529 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.770 1.460 -9.150 1.00 0.00 H new ATOM 0 HG SER A 16 -6.242 2.163 -6.592 1.00 0.00 H new ATOM 279 N ASN A 17 -6.748 5.325 -8.840 1.00 0.00 N ATOM 280 CA ASN A 17 -7.308 6.551 -8.284 1.00 0.00 C ATOM 281 C ASN A 17 -7.560 6.487 -6.780 1.00 0.00 C ATOM 282 O ASN A 17 -7.333 7.473 -6.079 1.00 0.00 O ATOM 283 CB ASN A 17 -8.604 6.887 -9.024 1.00 0.00 C ATOM 284 CG ASN A 17 -9.284 8.110 -8.427 1.00 0.00 C ATOM 285 OD1 ASN A 17 -9.005 9.232 -8.833 1.00 0.00 O ATOM 286 ND2 ASN A 17 -10.170 7.950 -7.458 1.00 0.00 N ATOM 0 H ASN A 17 -7.339 4.888 -9.547 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.565 7.336 -8.426 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.387 7.067 -10.077 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.282 6.034 -8.980 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.626 8.763 -7.044 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.398 7.013 -7.125 1.00 0.00 H new ATOM 293 N SER A 18 -8.071 5.370 -6.272 1.00 0.00 N ATOM 294 CA SER A 18 -8.453 5.253 -4.873 1.00 0.00 C ATOM 295 C SER A 18 -8.458 3.780 -4.485 1.00 0.00 C ATOM 296 O SER A 18 -8.523 2.906 -5.351 1.00 0.00 O ATOM 297 CB SER A 18 -9.815 5.936 -4.643 1.00 0.00 C ATOM 298 OG SER A 18 -10.739 5.642 -5.678 1.00 0.00 O ATOM 0 H SER A 18 -8.231 4.524 -6.819 1.00 0.00 H new ATOM 0 HA SER A 18 -7.734 5.763 -4.232 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.226 5.612 -3.687 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.673 7.015 -4.579 1.00 0.00 H new ATOM 0 HG SER A 18 -11.469 6.296 -5.660 1.00 0.00 H new ATOM 304 N PHE A 19 -8.400 3.501 -3.183 1.00 0.00 N ATOM 305 CA PHE A 19 -8.380 2.144 -2.655 1.00 0.00 C ATOM 306 C PHE A 19 -9.627 1.375 -3.112 1.00 0.00 C ATOM 307 O PHE A 19 -9.549 0.220 -3.538 1.00 0.00 O ATOM 308 CB PHE A 19 -8.252 2.209 -1.123 1.00 0.00 C ATOM 309 CG PHE A 19 -8.272 0.888 -0.359 1.00 0.00 C ATOM 310 CD1 PHE A 19 -9.480 0.184 -0.177 1.00 0.00 C ATOM 311 CD2 PHE A 19 -7.094 0.389 0.235 1.00 0.00 C ATOM 312 CE1 PHE A 19 -9.514 -1.002 0.577 1.00 0.00 C ATOM 313 CE2 PHE A 19 -7.126 -0.805 0.978 1.00 0.00 C ATOM 314 CZ PHE A 19 -8.333 -1.502 1.150 1.00 0.00 C ATOM 0 H PHE A 19 -8.365 4.220 -2.461 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.521 1.597 -3.043 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.320 2.722 -0.885 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.064 2.830 -0.743 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.389 0.560 -0.622 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.164 0.926 0.119 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -10.447 -1.528 0.716 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.217 -1.188 1.419 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.353 -2.419 1.721 1.00 0.00 H new ATOM 324 N GLU A 20 -10.776 2.051 -3.062 1.00 0.00 N ATOM 325 CA GLU A 20 -12.083 1.553 -3.473 1.00 0.00 C ATOM 326 C GLU A 20 -12.161 1.224 -4.973 1.00 0.00 C ATOM 327 O GLU A 20 -13.060 0.484 -5.372 1.00 0.00 O ATOM 328 CB GLU A 20 -13.160 2.568 -3.048 1.00 0.00 C ATOM 329 CG GLU A 20 -13.935 2.117 -1.812 1.00 0.00 C ATOM 330 CD GLU A 20 -15.064 1.137 -2.100 1.00 0.00 C ATOM 331 OE1 GLU A 20 -14.784 0.001 -2.528 1.00 0.00 O ATOM 332 OE2 GLU A 20 -16.228 1.486 -1.781 1.00 0.00 O ATOM 0 H GLU A 20 -10.819 3.009 -2.715 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.260 0.603 -2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.688 3.530 -2.846 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.856 2.721 -3.873 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.240 1.655 -1.111 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.350 2.995 -1.318 1.00 0.00 H new ATOM 339 N ASP A 21 -11.209 1.691 -5.790 1.00 0.00 N ATOM 340 CA ASP A 21 -11.224 1.520 -7.244 1.00 0.00 C ATOM 341 C ASP A 21 -9.944 0.863 -7.777 1.00 0.00 C ATOM 342 O ASP A 21 -9.753 0.786 -8.995 1.00 0.00 O ATOM 343 CB ASP A 21 -11.536 2.856 -7.938 1.00 0.00 C ATOM 344 CG ASP A 21 -11.709 2.682 -9.451 1.00 0.00 C ATOM 345 OD1 ASP A 21 -12.532 1.838 -9.877 1.00 0.00 O ATOM 346 OD2 ASP A 21 -11.002 3.373 -10.218 1.00 0.00 O ATOM 0 H ASP A 21 -10.396 2.206 -5.452 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.026 0.823 -7.487 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.445 3.282 -7.514 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.731 3.564 -7.743 1.00 0.00 H new ATOM 351 N CYS A 22 -9.065 0.337 -6.913 1.00 0.00 N ATOM 352 CA CYS A 22 -7.959 -0.466 -7.429 1.00 0.00 C ATOM 353 C CYS A 22 -8.506 -1.730 -8.084 1.00 0.00 C ATOM 354 O CYS A 22 -9.632 -2.160 -7.824 1.00 0.00 O ATOM 355 CB CYS A 22 -6.901 -0.777 -6.365 1.00 0.00 C ATOM 356 SG CYS A 22 -7.401 -2.113 -5.252 1.00 0.00 S ATOM 0 H CYS A 22 -9.096 0.447 -5.899 1.00 0.00 H new ATOM 0 HA CYS A 22 -7.439 0.123 -8.184 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.967 -1.049 -6.856 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -6.704 0.122 -5.781 1.00 0.00 H new ATOM 0 HG CYS A 22 -6.461 -2.325 -4.379 1.00 0.00 H new ATOM 362 N LYS A 23 -7.677 -2.330 -8.922 1.00 0.00 N ATOM 363 CA LYS A 23 -7.963 -3.555 -9.652 1.00 0.00 C ATOM 364 C LYS A 23 -7.139 -4.678 -9.025 1.00 0.00 C ATOM 365 O LYS A 23 -7.574 -5.826 -9.013 1.00 0.00 O ATOM 366 CB LYS A 23 -7.556 -3.336 -11.113 1.00 0.00 C ATOM 367 CG LYS A 23 -8.414 -2.421 -12.013 1.00 0.00 C ATOM 368 CD LYS A 23 -8.892 -1.097 -11.405 1.00 0.00 C ATOM 369 CE LYS A 23 -9.700 -0.262 -12.401 1.00 0.00 C ATOM 370 NZ LYS A 23 -9.894 1.119 -11.912 1.00 0.00 N ATOM 0 H LYS A 23 -6.747 -1.962 -9.121 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.020 -3.819 -9.609 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.542 -2.936 -11.113 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.512 -4.315 -11.590 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.839 -2.194 -12.911 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.291 -2.984 -12.330 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.503 -1.302 -10.526 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.030 -0.522 -11.067 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.186 -0.241 -13.362 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.670 -0.730 -12.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.767 1.512 -12.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.968 1.113 -10.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.084 1.706 -12.198 1.00 0.00 H new ATOM 384 N TYR A 24 -5.969 -4.367 -8.460 1.00 0.00 N ATOM 385 CA TYR A 24 -5.221 -5.273 -7.609 1.00 0.00 C ATOM 386 C TYR A 24 -4.351 -4.475 -6.642 1.00 0.00 C ATOM 387 O TYR A 24 -4.126 -3.276 -6.811 1.00 0.00 O ATOM 388 CB TYR A 24 -4.376 -6.238 -8.461 1.00 0.00 C ATOM 389 CG TYR A 24 -3.264 -5.607 -9.261 1.00 0.00 C ATOM 390 CD1 TYR A 24 -3.544 -5.085 -10.534 1.00 0.00 C ATOM 391 CD2 TYR A 24 -1.952 -5.570 -8.753 1.00 0.00 C ATOM 392 CE1 TYR A 24 -2.514 -4.501 -11.288 1.00 0.00 C ATOM 393 CE2 TYR A 24 -0.920 -5.003 -9.508 1.00 0.00 C ATOM 394 CZ TYR A 24 -1.198 -4.458 -10.782 1.00 0.00 C ATOM 395 OH TYR A 24 -0.211 -3.889 -11.517 1.00 0.00 O ATOM 0 H TYR A 24 -5.515 -3.463 -8.588 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.917 -5.874 -7.025 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.942 -6.990 -7.802 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -5.040 -6.762 -9.148 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.547 -5.133 -10.931 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.741 -5.981 -7.777 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.730 -4.083 -12.260 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.087 -4.982 -9.118 1.00 0.00 H new ATOM 0 HH TYR A 24 0.431 -3.451 -10.920 1.00 0.00 H new ATOM 405 N PHE A 25 -3.829 -5.172 -5.642 1.00 0.00 N ATOM 406 CA PHE A 25 -2.820 -4.722 -4.709 1.00 0.00 C ATOM 407 C PHE A 25 -1.505 -5.371 -5.090 1.00 0.00 C ATOM 408 O PHE A 25 -1.419 -6.597 -5.198 1.00 0.00 O ATOM 409 CB PHE A 25 -3.171 -5.148 -3.288 1.00 0.00 C ATOM 410 CG PHE A 25 -4.476 -4.583 -2.800 1.00 0.00 C ATOM 411 CD1 PHE A 25 -4.481 -3.338 -2.154 1.00 0.00 C ATOM 412 CD2 PHE A 25 -5.670 -5.303 -2.983 1.00 0.00 C ATOM 413 CE1 PHE A 25 -5.677 -2.846 -1.611 1.00 0.00 C ATOM 414 CE2 PHE A 25 -6.881 -4.767 -2.509 1.00 0.00 C ATOM 415 CZ PHE A 25 -6.883 -3.546 -1.808 1.00 0.00 C ATOM 0 H PHE A 25 -4.123 -6.130 -5.454 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.756 -3.635 -4.747 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.215 -6.236 -3.243 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.373 -4.834 -2.615 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.571 -2.762 -2.075 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.657 -6.260 -3.484 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.673 -1.929 -1.041 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.809 -5.292 -2.683 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.809 -3.146 -1.422 1.00 0.00 H new ATOM 425 N LEU A 26 -0.475 -4.557 -5.271 1.00 0.00 N ATOM 426 CA LEU A 26 0.897 -5.023 -5.350 1.00 0.00 C ATOM 427 C LEU A 26 1.416 -5.133 -3.917 1.00 0.00 C ATOM 428 O LEU A 26 1.506 -4.116 -3.223 1.00 0.00 O ATOM 429 CB LEU A 26 1.720 -4.051 -6.202 1.00 0.00 C ATOM 430 CG LEU A 26 3.037 -4.595 -6.768 1.00 0.00 C ATOM 431 CD1 LEU A 26 4.023 -5.014 -5.686 1.00 0.00 C ATOM 432 CD2 LEU A 26 2.848 -5.767 -7.741 1.00 0.00 C ATOM 0 H LEU A 26 -0.572 -3.546 -5.368 1.00 0.00 H new ATOM 0 HA LEU A 26 0.973 -5.998 -5.831 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.101 -3.717 -7.035 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.944 -3.171 -5.598 1.00 0.00 H new ATOM 0 HG LEU A 26 3.450 -3.750 -7.319 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.935 -5.390 -6.150 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.263 -4.155 -5.060 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.579 -5.798 -5.072 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.821 -6.101 -8.102 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.350 -6.589 -7.228 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.239 -5.444 -8.585 1.00 0.00 H new ATOM 444 N ILE A 27 1.709 -6.345 -3.442 1.00 0.00 N ATOM 445 CA ILE A 27 2.396 -6.554 -2.173 1.00 0.00 C ATOM 446 C ILE A 27 3.893 -6.410 -2.443 1.00 0.00 C ATOM 447 O ILE A 27 4.495 -7.290 -3.066 1.00 0.00 O ATOM 448 CB ILE A 27 2.008 -7.894 -1.507 1.00 0.00 C ATOM 449 CG1 ILE A 27 0.480 -8.057 -1.339 1.00 0.00 C ATOM 450 CG2 ILE A 27 2.745 -8.175 -0.179 1.00 0.00 C ATOM 451 CD1 ILE A 27 -0.220 -6.898 -0.613 1.00 0.00 C ATOM 0 H ILE A 27 1.475 -7.209 -3.930 1.00 0.00 H new ATOM 0 HA ILE A 27 2.090 -5.807 -1.441 1.00 0.00 H new ATOM 0 HB ILE A 27 2.349 -8.653 -2.211 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.031 -8.172 -2.326 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.286 -8.979 -0.791 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.417 -9.133 0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.820 -8.206 -0.359 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.519 -7.384 0.537 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.288 -7.104 -0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.195 -6.793 0.390 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.064 -5.973 -1.169 1.00 0.00 H new ATOM 463 N VAL A 28 4.484 -5.288 -2.034 1.00 0.00 N ATOM 464 CA VAL A 28 5.928 -5.060 -2.104 1.00 0.00 C ATOM 465 C VAL A 28 6.572 -5.778 -0.913 1.00 0.00 C ATOM 466 O VAL A 28 6.030 -5.725 0.196 1.00 0.00 O ATOM 467 CB VAL A 28 6.224 -3.542 -2.067 1.00 0.00 C ATOM 468 CG1 VAL A 28 7.721 -3.238 -2.238 1.00 0.00 C ATOM 469 CG2 VAL A 28 5.486 -2.763 -3.163 1.00 0.00 C ATOM 0 H VAL A 28 3.968 -4.502 -1.640 1.00 0.00 H new ATOM 0 HA VAL A 28 6.339 -5.451 -3.035 1.00 0.00 H new ATOM 0 HB VAL A 28 5.875 -3.223 -1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.879 -2.160 -2.205 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.283 -3.712 -1.433 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.064 -3.626 -3.197 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.733 -1.704 -3.086 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.789 -3.136 -4.141 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.411 -2.894 -3.041 1.00 0.00 H new ATOM 479 N ARG A 29 7.747 -6.380 -1.111 1.00 0.00 N ATOM 480 CA ARG A 29 8.590 -6.985 -0.078 1.00 0.00 C ATOM 481 C ARG A 29 9.896 -6.199 -0.069 1.00 0.00 C ATOM 482 O ARG A 29 10.501 -6.113 -1.135 1.00 0.00 O ATOM 483 CB ARG A 29 8.847 -8.447 -0.504 1.00 0.00 C ATOM 484 CG ARG A 29 9.726 -9.299 0.413 1.00 0.00 C ATOM 485 CD ARG A 29 9.057 -10.631 0.741 1.00 0.00 C ATOM 486 NE ARG A 29 9.724 -11.283 1.863 1.00 0.00 N ATOM 487 CZ ARG A 29 9.170 -12.205 2.648 1.00 0.00 C ATOM 488 NH1 ARG A 29 7.982 -12.731 2.366 1.00 0.00 N ATOM 489 NH2 ARG A 29 9.819 -12.620 3.722 1.00 0.00 N ATOM 0 H ARG A 29 8.156 -6.463 -2.042 1.00 0.00 H new ATOM 0 HA ARG A 29 8.136 -6.967 0.913 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.882 -8.944 -0.604 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.304 -8.435 -1.494 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.687 -9.481 -0.067 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.928 -8.754 1.335 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.007 -10.466 0.982 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.085 -11.282 -0.133 1.00 0.00 H new ATOM 0 HE ARG A 29 10.687 -11.012 2.061 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.475 -12.430 1.534 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.577 -13.436 2.982 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.737 -12.234 3.944 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.402 -13.326 4.329 1.00 0.00 H new ATOM 503 N ILE A 30 10.322 -5.621 1.058 1.00 0.00 N ATOM 504 CA ILE A 30 11.625 -4.958 1.199 1.00 0.00 C ATOM 505 C ILE A 30 12.336 -5.628 2.368 1.00 0.00 C ATOM 506 O ILE A 30 11.724 -5.870 3.413 1.00 0.00 O ATOM 507 CB ILE A 30 11.448 -3.435 1.399 1.00 0.00 C ATOM 508 CG1 ILE A 30 11.043 -2.748 0.079 1.00 0.00 C ATOM 509 CG2 ILE A 30 12.669 -2.717 2.023 1.00 0.00 C ATOM 510 CD1 ILE A 30 10.173 -1.522 0.365 1.00 0.00 C ATOM 0 H ILE A 30 9.764 -5.599 1.912 1.00 0.00 H new ATOM 0 HA ILE A 30 12.228 -5.064 0.297 1.00 0.00 H new ATOM 0 HB ILE A 30 10.644 -3.340 2.129 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.935 -2.449 -0.472 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.498 -3.450 -0.552 1.00 0.00 H new ATOM 0 HG21 ILE A 30 12.453 -1.654 2.125 1.00 0.00 H new ATOM 0 HG22 ILE A 30 12.877 -3.141 3.005 1.00 0.00 H new ATOM 0 HG23 ILE A 30 13.538 -2.850 1.379 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.894 -1.046 -0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.273 -1.831 0.897 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.732 -0.814 0.978 1.00 0.00 H new ATOM 522 N ASP A 31 13.631 -5.918 2.201 1.00 0.00 N ATOM 523 CA ASP A 31 14.385 -6.693 3.185 1.00 0.00 C ATOM 524 C ASP A 31 15.764 -6.110 3.474 1.00 0.00 C ATOM 525 O ASP A 31 16.434 -6.618 4.364 1.00 0.00 O ATOM 526 CB ASP A 31 14.500 -8.165 2.738 1.00 0.00 C ATOM 527 CG ASP A 31 13.318 -9.051 3.161 1.00 0.00 C ATOM 528 OD1 ASP A 31 13.094 -9.260 4.378 1.00 0.00 O ATOM 529 OD2 ASP A 31 12.633 -9.618 2.276 1.00 0.00 O ATOM 0 H ASP A 31 14.177 -5.626 1.391 1.00 0.00 H new ATOM 0 HA ASP A 31 13.826 -6.643 4.119 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.591 -8.196 1.652 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.418 -8.586 3.147 1.00 0.00 H new ATOM 534 N ASP A 32 16.217 -5.083 2.754 1.00 0.00 N ATOM 535 CA ASP A 32 17.427 -4.313 3.094 1.00 0.00 C ATOM 536 C ASP A 32 17.369 -3.033 2.258 1.00 0.00 C ATOM 537 O ASP A 32 18.075 -2.899 1.268 1.00 0.00 O ATOM 538 CB ASP A 32 18.717 -5.130 2.877 1.00 0.00 C ATOM 539 CG ASP A 32 19.993 -4.332 3.127 1.00 0.00 C ATOM 540 OD1 ASP A 32 20.213 -3.930 4.289 1.00 0.00 O ATOM 541 OD2 ASP A 32 20.787 -4.157 2.179 1.00 0.00 O ATOM 0 H ASP A 32 15.753 -4.754 1.907 1.00 0.00 H new ATOM 0 HA ASP A 32 17.453 -4.064 4.155 1.00 0.00 H new ATOM 0 HB2 ASP A 32 18.704 -5.996 3.538 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.730 -5.509 1.855 1.00 0.00 H new ATOM 546 N ASN A 33 16.404 -2.157 2.564 1.00 0.00 N ATOM 547 CA ASN A 33 16.084 -0.894 1.846 1.00 0.00 C ATOM 548 C ASN A 33 15.802 -1.049 0.343 1.00 0.00 C ATOM 549 O ASN A 33 15.601 -0.050 -0.339 1.00 0.00 O ATOM 550 CB ASN A 33 17.170 0.191 2.061 1.00 0.00 C ATOM 551 CG ASN A 33 16.730 1.468 2.791 1.00 0.00 C ATOM 552 OD1 ASN A 33 17.281 2.543 2.593 1.00 0.00 O ATOM 553 ND2 ASN A 33 15.833 1.393 3.761 1.00 0.00 N ATOM 0 H ASN A 33 15.786 -2.309 3.361 1.00 0.00 H new ATOM 0 HA ASN A 33 15.147 -0.574 2.302 1.00 0.00 H new ATOM 0 HB2 ASN A 33 17.992 -0.256 2.621 1.00 0.00 H new ATOM 0 HB3 ASN A 33 17.566 0.475 1.086 1.00 0.00 H new ATOM 0 HD21 ASN A 33 15.617 2.218 4.321 1.00 0.00 H new ATOM 0 HD22 ASN A 33 15.358 0.510 3.949 1.00 0.00 H new ATOM 560 N GLU A 34 15.755 -2.273 -0.176 1.00 0.00 N ATOM 561 CA GLU A 34 15.449 -2.588 -1.561 1.00 0.00 C ATOM 562 C GLU A 34 14.453 -3.729 -1.605 1.00 0.00 C ATOM 563 O GLU A 34 14.428 -4.581 -0.701 1.00 0.00 O ATOM 564 CB GLU A 34 16.713 -3.016 -2.322 1.00 0.00 C ATOM 565 CG GLU A 34 17.491 -1.841 -2.904 1.00 0.00 C ATOM 566 CD GLU A 34 16.657 -0.976 -3.848 1.00 0.00 C ATOM 567 OE1 GLU A 34 15.702 -1.484 -4.478 1.00 0.00 O ATOM 568 OE2 GLU A 34 16.984 0.230 -3.954 1.00 0.00 O ATOM 0 H GLU A 34 15.938 -3.105 0.385 1.00 0.00 H new ATOM 0 HA GLU A 34 15.037 -1.695 -2.031 1.00 0.00 H new ATOM 0 HB2 GLU A 34 17.362 -3.576 -1.649 1.00 0.00 H new ATOM 0 HB3 GLU A 34 16.432 -3.692 -3.129 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.865 -1.222 -2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.361 -2.220 -3.441 1.00 0.00 H new ATOM 575 N VAL A 35 13.684 -3.731 -2.691 1.00 0.00 N ATOM 576 CA VAL A 35 12.570 -4.620 -2.955 1.00 0.00 C ATOM 577 C VAL A 35 13.100 -5.963 -3.454 1.00 0.00 C ATOM 578 O VAL A 35 13.605 -6.058 -4.576 1.00 0.00 O ATOM 579 CB VAL A 35 11.546 -3.944 -3.900 1.00 0.00 C ATOM 580 CG1 VAL A 35 12.162 -3.295 -5.149 1.00 0.00 C ATOM 581 CG2 VAL A 35 10.440 -4.920 -4.331 1.00 0.00 C ATOM 0 H VAL A 35 13.836 -3.070 -3.452 1.00 0.00 H new ATOM 0 HA VAL A 35 12.018 -4.827 -2.038 1.00 0.00 H new ATOM 0 HB VAL A 35 11.121 -3.139 -3.301 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.373 -2.846 -5.753 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.870 -2.524 -4.846 1.00 0.00 H new ATOM 0 HG13 VAL A 35 12.680 -4.054 -5.735 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.741 -4.409 -4.993 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.885 -5.765 -4.856 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.908 -5.279 -3.450 1.00 0.00 H new ATOM 591 N LYS A 36 13.024 -7.018 -2.635 1.00 0.00 N ATOM 592 CA LYS A 36 13.584 -8.323 -3.022 1.00 0.00 C ATOM 593 C LYS A 36 12.531 -9.266 -3.609 1.00 0.00 C ATOM 594 O LYS A 36 12.910 -10.342 -4.071 1.00 0.00 O ATOM 595 CB LYS A 36 14.403 -8.999 -1.901 1.00 0.00 C ATOM 596 CG LYS A 36 15.379 -8.107 -1.110 1.00 0.00 C ATOM 597 CD LYS A 36 16.274 -7.243 -1.997 1.00 0.00 C ATOM 598 CE LYS A 36 17.593 -6.886 -1.323 1.00 0.00 C ATOM 599 NZ LYS A 36 17.431 -5.923 -0.229 1.00 0.00 N ATOM 0 H LYS A 36 12.588 -6.998 -1.713 1.00 0.00 H new ATOM 0 HA LYS A 36 14.293 -8.103 -3.820 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.704 -9.446 -1.194 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.974 -9.815 -2.344 1.00 0.00 H new ATOM 0 HG2 LYS A 36 14.808 -7.460 -0.444 1.00 0.00 H new ATOM 0 HG3 LYS A 36 16.006 -8.738 -0.481 1.00 0.00 H new ATOM 0 HD2 LYS A 36 16.477 -7.772 -2.928 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.744 -6.327 -2.260 1.00 0.00 H new ATOM 0 HE2 LYS A 36 18.055 -7.794 -0.936 1.00 0.00 H new ATOM 0 HE3 LYS A 36 18.275 -6.473 -2.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 18.298 -5.356 -0.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 16.627 -5.296 -0.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 17.253 -6.434 0.659 1.00 0.00 H new ATOM 613 N SER A 37 11.238 -8.917 -3.612 1.00 0.00 N ATOM 614 CA SER A 37 10.209 -9.620 -4.383 1.00 0.00 C ATOM 615 C SER A 37 8.879 -8.851 -4.359 1.00 0.00 C ATOM 616 O SER A 37 8.780 -7.784 -3.747 1.00 0.00 O ATOM 617 CB SER A 37 10.050 -11.072 -3.897 1.00 0.00 C ATOM 618 OG SER A 37 10.094 -11.200 -2.487 1.00 0.00 O ATOM 0 H SER A 37 10.875 -8.131 -3.073 1.00 0.00 H new ATOM 0 HA SER A 37 10.532 -9.665 -5.423 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.102 -11.468 -4.261 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.840 -11.683 -4.335 1.00 0.00 H new ATOM 0 HG SER A 37 9.986 -12.142 -2.241 1.00 0.00 H new ATOM 624 N THR A 38 7.852 -9.377 -5.033 1.00 0.00 N ATOM 625 CA THR A 38 6.562 -8.723 -5.210 1.00 0.00 C ATOM 626 C THR A 38 5.422 -9.759 -5.279 1.00 0.00 C ATOM 627 O THR A 38 5.669 -10.966 -5.393 1.00 0.00 O ATOM 628 CB THR A 38 6.630 -7.824 -6.463 1.00 0.00 C ATOM 629 OG1 THR A 38 7.406 -8.403 -7.504 1.00 0.00 O ATOM 630 CG2 THR A 38 7.256 -6.462 -6.159 1.00 0.00 C ATOM 0 H THR A 38 7.901 -10.293 -5.480 1.00 0.00 H new ATOM 0 HA THR A 38 6.339 -8.093 -4.349 1.00 0.00 H new ATOM 0 HB THR A 38 5.593 -7.711 -6.780 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.419 -7.800 -8.276 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.283 -5.863 -7.069 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.661 -5.948 -5.404 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.271 -6.603 -5.787 1.00 0.00 H new ATOM 638 N LYS A 39 4.159 -9.318 -5.204 1.00 0.00 N ATOM 639 CA LYS A 39 2.958 -10.159 -5.298 1.00 0.00 C ATOM 640 C LYS A 39 1.808 -9.342 -5.860 1.00 0.00 C ATOM 641 O LYS A 39 1.753 -8.153 -5.580 1.00 0.00 O ATOM 642 CB LYS A 39 2.534 -10.631 -3.892 1.00 0.00 C ATOM 643 CG LYS A 39 2.566 -12.134 -3.658 1.00 0.00 C ATOM 644 CD LYS A 39 3.917 -12.552 -3.058 1.00 0.00 C ATOM 645 CE LYS A 39 4.498 -13.734 -3.818 1.00 0.00 C ATOM 646 NZ LYS A 39 3.697 -14.961 -3.630 1.00 0.00 N ATOM 0 H LYS A 39 3.938 -8.331 -5.072 1.00 0.00 H new ATOM 0 HA LYS A 39 3.185 -11.011 -5.939 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.184 -10.155 -3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.522 -10.274 -3.700 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.757 -12.421 -2.986 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.400 -12.659 -4.599 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.612 -11.713 -3.094 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.789 -12.815 -2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.548 -13.493 -4.880 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.520 -13.913 -3.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.128 -15.742 -4.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.670 -15.207 -2.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.729 -14.799 -3.973 1.00 0.00 H new ATOM 660 N VAL A 40 0.831 -9.975 -6.504 1.00 0.00 N ATOM 661 CA VAL A 40 -0.380 -9.334 -7.016 1.00 0.00 C ATOM 662 C VAL A 40 -1.572 -10.033 -6.359 1.00 0.00 C ATOM 663 O VAL A 40 -1.759 -11.239 -6.535 1.00 0.00 O ATOM 664 CB VAL A 40 -0.373 -9.422 -8.557 1.00 0.00 C ATOM 665 CG1 VAL A 40 -1.746 -9.123 -9.175 1.00 0.00 C ATOM 666 CG2 VAL A 40 0.661 -8.423 -9.101 1.00 0.00 C ATOM 0 H VAL A 40 0.860 -10.977 -6.690 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.439 -8.273 -6.772 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.116 -10.445 -8.831 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.681 -9.200 -10.260 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.476 -9.842 -8.804 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.057 -8.115 -8.900 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.678 -8.473 -10.190 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.392 -7.414 -8.789 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.648 -8.672 -8.711 1.00 0.00 H new ATOM 676 N ILE A 41 -2.345 -9.310 -5.552 1.00 0.00 N ATOM 677 CA ILE A 41 -3.616 -9.747 -4.977 1.00 0.00 C ATOM 678 C ILE A 41 -4.676 -8.966 -5.749 1.00 0.00 C ATOM 679 O ILE A 41 -4.743 -7.753 -5.574 1.00 0.00 O ATOM 680 CB ILE A 41 -3.652 -9.429 -3.460 1.00 0.00 C ATOM 681 CG1 ILE A 41 -2.589 -10.226 -2.673 1.00 0.00 C ATOM 682 CG2 ILE A 41 -5.049 -9.659 -2.858 1.00 0.00 C ATOM 683 CD1 ILE A 41 -2.586 -9.881 -1.178 1.00 0.00 C ATOM 0 H ILE A 41 -2.092 -8.363 -5.269 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.777 -10.822 -5.061 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.413 -8.370 -3.366 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.774 -11.293 -2.796 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.603 -10.023 -3.092 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.030 -9.424 -1.794 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.772 -9.014 -3.359 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.337 -10.701 -2.995 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.821 -10.468 -0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.373 -8.820 -1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.562 -10.109 -0.750 1.00 0.00 H new ATOM 695 N PHE A 42 -5.468 -9.602 -6.610 1.00 0.00 N ATOM 696 CA PHE A 42 -6.565 -8.924 -7.298 1.00 0.00 C ATOM 697 C PHE A 42 -7.553 -8.361 -6.275 1.00 0.00 C ATOM 698 O PHE A 42 -7.645 -8.875 -5.156 1.00 0.00 O ATOM 699 CB PHE A 42 -7.273 -9.900 -8.239 1.00 0.00 C ATOM 700 CG PHE A 42 -6.400 -10.432 -9.357 1.00 0.00 C ATOM 701 CD1 PHE A 42 -5.871 -9.545 -10.315 1.00 0.00 C ATOM 702 CD2 PHE A 42 -6.149 -11.814 -9.467 1.00 0.00 C ATOM 703 CE1 PHE A 42 -5.104 -10.037 -11.384 1.00 0.00 C ATOM 704 CE2 PHE A 42 -5.387 -12.305 -10.541 1.00 0.00 C ATOM 705 CZ PHE A 42 -4.873 -11.417 -11.503 1.00 0.00 C ATOM 0 H PHE A 42 -5.370 -10.589 -6.848 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.163 -8.100 -7.887 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.649 -10.741 -7.656 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.139 -9.402 -8.675 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.056 -8.484 -10.227 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -6.542 -12.495 -8.727 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.693 -9.355 -12.113 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.196 -13.364 -10.628 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.299 -11.797 -12.335 1.00 0.00 H new ATOM 715 N ASN A 43 -8.315 -7.333 -6.643 1.00 0.00 N ATOM 716 CA ASN A 43 -9.178 -6.605 -5.717 1.00 0.00 C ATOM 717 C ASN A 43 -10.652 -6.994 -5.871 1.00 0.00 C ATOM 718 O ASN A 43 -11.489 -6.165 -6.232 1.00 0.00 O ATOM 719 CB ASN A 43 -8.953 -5.095 -5.869 1.00 0.00 C ATOM 720 CG ASN A 43 -9.851 -4.331 -4.901 1.00 0.00 C ATOM 721 OD1 ASN A 43 -9.984 -4.713 -3.742 1.00 0.00 O ATOM 722 ND2 ASN A 43 -10.503 -3.276 -5.354 1.00 0.00 N ATOM 0 H ASN A 43 -8.351 -6.980 -7.599 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.904 -6.888 -4.700 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.908 -4.854 -5.675 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.166 -4.789 -6.893 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.132 -2.761 -4.737 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.378 -2.976 -6.321 1.00 0.00 H new ATOM 729 N ASP A 44 -11.002 -8.240 -5.550 1.00 0.00 N ATOM 730 CA ASP A 44 -12.386 -8.717 -5.578 1.00 0.00 C ATOM 731 C ASP A 44 -12.616 -9.540 -4.316 1.00 0.00 C ATOM 732 O ASP A 44 -12.560 -10.770 -4.326 1.00 0.00 O ATOM 733 CB ASP A 44 -12.692 -9.547 -6.834 1.00 0.00 C ATOM 734 CG ASP A 44 -12.925 -8.745 -8.116 1.00 0.00 C ATOM 735 OD1 ASP A 44 -13.560 -7.676 -8.076 1.00 0.00 O ATOM 736 OD2 ASP A 44 -12.468 -9.222 -9.185 1.00 0.00 O ATOM 0 H ASP A 44 -10.330 -8.951 -5.262 1.00 0.00 H new ATOM 0 HA ASP A 44 -13.061 -7.862 -5.612 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.864 -10.236 -7.003 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -13.577 -10.153 -6.640 1.00 0.00 H new ATOM 741 N GLU A 45 -12.886 -8.845 -3.209 1.00 0.00 N ATOM 742 CA GLU A 45 -13.386 -9.385 -1.946 1.00 0.00 C ATOM 743 C GLU A 45 -12.381 -10.291 -1.221 1.00 0.00 C ATOM 744 O GLU A 45 -11.797 -9.885 -0.210 1.00 0.00 O ATOM 745 CB GLU A 45 -14.777 -10.042 -2.175 1.00 0.00 C ATOM 746 CG GLU A 45 -15.939 -9.472 -1.355 1.00 0.00 C ATOM 747 CD GLU A 45 -15.850 -7.960 -1.195 1.00 0.00 C ATOM 748 OE1 GLU A 45 -16.072 -7.238 -2.188 1.00 0.00 O ATOM 749 OE2 GLU A 45 -15.415 -7.531 -0.097 1.00 0.00 O ATOM 0 H GLU A 45 -12.754 -7.834 -3.169 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.518 -8.556 -1.251 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.028 -9.953 -3.232 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.693 -11.106 -1.956 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.882 -9.729 -1.839 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.949 -9.939 -0.370 1.00 0.00 H new ATOM 756 N SER A 46 -12.157 -11.501 -1.727 1.00 0.00 N ATOM 757 CA SER A 46 -11.185 -12.470 -1.242 1.00 0.00 C ATOM 758 C SER A 46 -9.772 -11.870 -1.219 1.00 0.00 C ATOM 759 O SER A 46 -8.946 -12.285 -0.402 1.00 0.00 O ATOM 760 CB SER A 46 -11.286 -13.691 -2.166 1.00 0.00 C ATOM 761 OG SER A 46 -10.740 -14.872 -1.612 1.00 0.00 O ATOM 0 H SER A 46 -12.679 -11.848 -2.531 1.00 0.00 H new ATOM 0 HA SER A 46 -11.394 -12.762 -0.213 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.334 -13.866 -2.409 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.774 -13.470 -3.103 1.00 0.00 H new ATOM 0 HG SER A 46 -10.839 -15.609 -2.251 1.00 0.00 H new ATOM 767 N GLY A 47 -9.504 -10.873 -2.066 1.00 0.00 N ATOM 768 CA GLY A 47 -8.280 -10.095 -2.081 1.00 0.00 C ATOM 769 C GLY A 47 -8.055 -9.369 -0.762 1.00 0.00 C ATOM 770 O GLY A 47 -7.073 -9.622 -0.067 1.00 0.00 O ATOM 0 H GLY A 47 -10.165 -10.580 -2.785 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.434 -10.752 -2.283 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.321 -9.369 -2.893 1.00 0.00 H new ATOM 774 N LYS A 48 -8.979 -8.473 -0.401 1.00 0.00 N ATOM 775 CA LYS A 48 -8.894 -7.644 0.804 1.00 0.00 C ATOM 776 C LYS A 48 -8.784 -8.511 2.053 1.00 0.00 C ATOM 777 O LYS A 48 -8.025 -8.168 2.952 1.00 0.00 O ATOM 778 CB LYS A 48 -10.132 -6.741 0.902 1.00 0.00 C ATOM 779 CG LYS A 48 -10.144 -5.589 -0.116 1.00 0.00 C ATOM 780 CD LYS A 48 -11.583 -5.112 -0.359 1.00 0.00 C ATOM 781 CE LYS A 48 -11.609 -3.832 -1.200 1.00 0.00 C ATOM 782 NZ LYS A 48 -12.881 -3.675 -1.930 1.00 0.00 N ATOM 0 H LYS A 48 -9.822 -8.301 -0.949 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.999 -7.026 0.735 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.025 -7.349 0.759 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.187 -6.325 1.908 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.536 -4.762 0.252 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.699 -5.919 -1.055 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.147 -5.895 -0.866 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.075 -4.932 0.597 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.454 -2.969 -0.552 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.783 -3.849 -1.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.856 -2.796 -2.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.017 -4.485 -2.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.668 -3.633 -1.251 1.00 0.00 H new ATOM 796 N LYS A 49 -9.469 -9.661 2.092 1.00 0.00 N ATOM 797 CA LYS A 49 -9.330 -10.619 3.187 1.00 0.00 C ATOM 798 C LYS A 49 -7.861 -10.970 3.425 1.00 0.00 C ATOM 799 O LYS A 49 -7.410 -10.975 4.570 1.00 0.00 O ATOM 800 CB LYS A 49 -10.121 -11.899 2.888 1.00 0.00 C ATOM 801 CG LYS A 49 -11.557 -11.927 3.413 1.00 0.00 C ATOM 802 CD LYS A 49 -12.094 -13.349 3.204 1.00 0.00 C ATOM 803 CE LYS A 49 -13.460 -13.518 3.859 1.00 0.00 C ATOM 804 NZ LYS A 49 -13.944 -14.911 3.773 1.00 0.00 N ATOM 0 H LYS A 49 -10.129 -9.949 1.370 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.730 -10.153 4.087 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.145 -12.046 1.808 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.581 -12.746 3.313 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.585 -11.657 4.469 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.174 -11.202 2.882 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.169 -13.560 2.137 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.394 -14.071 3.623 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.400 -13.218 4.905 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -14.178 -12.854 3.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -14.875 -14.984 4.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -14.026 -15.189 2.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.272 -15.542 4.254 1.00 0.00 H new ATOM 818 N SER A 50 -7.111 -11.277 2.367 1.00 0.00 N ATOM 819 CA SER A 50 -5.727 -11.706 2.507 1.00 0.00 C ATOM 820 C SER A 50 -4.865 -10.604 3.121 1.00 0.00 C ATOM 821 O SER A 50 -4.038 -10.912 3.972 1.00 0.00 O ATOM 822 CB SER A 50 -5.183 -12.167 1.155 1.00 0.00 C ATOM 823 OG SER A 50 -6.023 -13.196 0.671 1.00 0.00 O ATOM 0 H SER A 50 -7.443 -11.235 1.403 1.00 0.00 H new ATOM 0 HA SER A 50 -5.691 -12.552 3.193 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.157 -11.335 0.452 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.160 -12.528 1.260 1.00 0.00 H new ATOM 0 HG SER A 50 -6.856 -12.806 0.332 1.00 0.00 H new ATOM 829 N ILE A 51 -5.092 -9.332 2.774 1.00 0.00 N ATOM 830 CA ILE A 51 -4.353 -8.181 3.306 1.00 0.00 C ATOM 831 C ILE A 51 -4.363 -8.208 4.839 1.00 0.00 C ATOM 832 O ILE A 51 -3.358 -7.905 5.479 1.00 0.00 O ATOM 833 CB ILE A 51 -4.961 -6.867 2.757 1.00 0.00 C ATOM 834 CG1 ILE A 51 -4.920 -6.873 1.215 1.00 0.00 C ATOM 835 CG2 ILE A 51 -4.277 -5.593 3.279 1.00 0.00 C ATOM 836 CD1 ILE A 51 -5.454 -5.587 0.591 1.00 0.00 C ATOM 0 H ILE A 51 -5.811 -9.068 2.100 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.314 -8.235 2.981 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.988 -6.839 3.120 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.892 -7.028 0.887 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.503 -7.717 0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.761 -4.717 2.847 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -4.359 -5.555 4.365 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.225 -5.602 2.995 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.396 -5.658 -0.495 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.492 -5.441 0.891 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.856 -4.742 0.931 1.00 0.00 H new ATOM 848 N VAL A 52 -5.480 -8.607 5.444 1.00 0.00 N ATOM 849 CA VAL A 52 -5.608 -8.697 6.888 1.00 0.00 C ATOM 850 C VAL A 52 -4.568 -9.679 7.455 1.00 0.00 C ATOM 851 O VAL A 52 -3.852 -9.352 8.412 1.00 0.00 O ATOM 852 CB VAL A 52 -7.061 -9.079 7.238 1.00 0.00 C ATOM 853 CG1 VAL A 52 -7.303 -8.941 8.733 1.00 0.00 C ATOM 854 CG2 VAL A 52 -8.095 -8.186 6.529 1.00 0.00 C ATOM 0 H VAL A 52 -6.324 -8.877 4.939 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.400 -7.734 7.354 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.186 -10.110 6.906 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.333 -9.215 8.962 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.624 -9.600 9.274 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.126 -7.909 9.037 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -9.100 -8.499 6.811 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.942 -7.148 6.824 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.976 -8.278 5.449 1.00 0.00 H new ATOM 864 N LYS A 53 -4.475 -10.873 6.862 1.00 0.00 N ATOM 865 CA LYS A 53 -3.595 -11.950 7.309 1.00 0.00 C ATOM 866 C LYS A 53 -2.158 -11.778 6.806 1.00 0.00 C ATOM 867 O LYS A 53 -1.262 -12.425 7.347 1.00 0.00 O ATOM 868 CB LYS A 53 -4.162 -13.308 6.858 1.00 0.00 C ATOM 869 CG LYS A 53 -5.223 -13.898 7.801 1.00 0.00 C ATOM 870 CD LYS A 53 -6.584 -13.188 7.816 1.00 0.00 C ATOM 871 CE LYS A 53 -7.534 -13.836 8.836 1.00 0.00 C ATOM 872 NZ LYS A 53 -7.986 -15.197 8.462 1.00 0.00 N ATOM 0 H LYS A 53 -5.024 -11.120 6.039 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.556 -11.911 8.398 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.598 -13.194 5.866 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.340 -14.018 6.765 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.383 -14.941 7.527 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.822 -13.892 8.815 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.446 -12.135 8.061 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.030 -13.228 6.822 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.034 -13.884 9.803 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.408 -13.196 8.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.622 -15.566 9.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.492 -15.157 7.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.161 -15.824 8.371 1.00 0.00 H new ATOM 886 N GLU A 54 -1.897 -10.904 5.832 1.00 0.00 N ATOM 887 CA GLU A 54 -0.548 -10.605 5.360 1.00 0.00 C ATOM 888 C GLU A 54 0.295 -9.950 6.465 1.00 0.00 C ATOM 889 O GLU A 54 1.521 -10.037 6.421 1.00 0.00 O ATOM 890 CB GLU A 54 -0.615 -9.676 4.133 1.00 0.00 C ATOM 891 CG GLU A 54 -0.939 -10.392 2.814 1.00 0.00 C ATOM 892 CD GLU A 54 0.249 -11.189 2.284 1.00 0.00 C ATOM 893 OE1 GLU A 54 1.244 -10.572 1.845 1.00 0.00 O ATOM 894 OE2 GLU A 54 0.193 -12.434 2.278 1.00 0.00 O ATOM 0 H GLU A 54 -2.625 -10.380 5.346 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.071 -11.544 5.080 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.370 -8.911 4.312 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.341 -9.162 4.029 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.786 -11.062 2.965 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.243 -9.657 2.069 1.00 0.00 H new ATOM 901 N ASN A 55 -0.330 -9.316 7.467 1.00 0.00 N ATOM 902 CA ASN A 55 0.344 -8.480 8.470 1.00 0.00 C ATOM 903 C ASN A 55 1.156 -7.382 7.767 1.00 0.00 C ATOM 904 O ASN A 55 2.367 -7.261 7.963 1.00 0.00 O ATOM 905 CB ASN A 55 1.201 -9.305 9.457 1.00 0.00 C ATOM 906 CG ASN A 55 0.404 -10.283 10.301 1.00 0.00 C ATOM 907 OD1 ASN A 55 -0.156 -9.905 11.325 1.00 0.00 O ATOM 908 ND2 ASN A 55 0.270 -11.528 9.874 1.00 0.00 N ATOM 0 H ASN A 55 -1.339 -9.371 7.606 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.421 -8.005 9.085 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.954 -9.857 8.894 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.734 -8.622 10.118 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.305 -12.188 10.398 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.742 -11.828 9.021 1.00 0.00 H new ATOM 915 N VAL A 56 0.488 -6.601 6.912 1.00 0.00 N ATOM 916 CA VAL A 56 1.080 -5.454 6.219 1.00 0.00 C ATOM 917 C VAL A 56 1.585 -4.444 7.253 1.00 0.00 C ATOM 918 O VAL A 56 1.000 -4.299 8.331 1.00 0.00 O ATOM 919 CB VAL A 56 0.056 -4.814 5.253 1.00 0.00 C ATOM 920 CG1 VAL A 56 0.706 -3.932 4.195 1.00 0.00 C ATOM 921 CG2 VAL A 56 -0.768 -5.859 4.484 1.00 0.00 C ATOM 0 H VAL A 56 -0.494 -6.751 6.679 1.00 0.00 H new ATOM 0 HA VAL A 56 1.926 -5.788 5.618 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.581 -4.221 5.910 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.064 -3.512 3.548 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.252 -3.124 4.681 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.396 -4.528 3.598 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.470 -5.353 3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.100 -6.487 3.894 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.319 -6.480 5.191 1.00 0.00 H new ATOM 931 N ASN A 57 2.663 -3.752 6.898 1.00 0.00 N ATOM 932 CA ASN A 57 3.239 -2.622 7.610 1.00 0.00 C ATOM 933 C ASN A 57 2.435 -1.357 7.324 1.00 0.00 C ATOM 934 O ASN A 57 2.060 -0.636 8.253 1.00 0.00 O ATOM 935 CB ASN A 57 4.688 -2.427 7.126 1.00 0.00 C ATOM 936 CG ASN A 57 5.385 -1.284 7.827 1.00 0.00 C ATOM 937 OD1 ASN A 57 5.531 -0.203 7.263 1.00 0.00 O ATOM 938 ND2 ASN A 57 5.859 -1.526 9.027 1.00 0.00 N ATOM 0 H ASN A 57 3.188 -3.981 6.054 1.00 0.00 H new ATOM 0 HA ASN A 57 3.220 -2.815 8.683 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.249 -3.347 7.291 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.687 -2.243 6.052 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.372 -0.801 9.528 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.714 -2.439 9.458 1.00 0.00 H new ATOM 945 N ALA A 58 2.151 -1.101 6.042 1.00 0.00 N ATOM 946 CA ALA A 58 1.520 0.134 5.596 1.00 0.00 C ATOM 947 C ALA A 58 0.735 -0.052 4.294 1.00 0.00 C ATOM 948 O ALA A 58 1.029 -0.961 3.518 1.00 0.00 O ATOM 949 CB ALA A 58 2.601 1.196 5.400 1.00 0.00 C ATOM 0 H ALA A 58 2.356 -1.753 5.285 1.00 0.00 H new ATOM 0 HA ALA A 58 0.807 0.445 6.359 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.141 2.126 5.066 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.119 1.366 6.344 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.315 0.855 4.650 1.00 0.00 H new ATOM 955 N ILE A 59 -0.223 0.832 4.008 1.00 0.00 N ATOM 956 CA ILE A 59 -0.912 0.903 2.722 1.00 0.00 C ATOM 957 C ILE A 59 -0.438 2.210 2.073 1.00 0.00 C ATOM 958 O ILE A 59 -0.176 3.184 2.784 1.00 0.00 O ATOM 959 CB ILE A 59 -2.449 0.834 2.937 1.00 0.00 C ATOM 960 CG1 ILE A 59 -2.839 -0.401 3.787 1.00 0.00 C ATOM 961 CG2 ILE A 59 -3.212 0.752 1.606 1.00 0.00 C ATOM 962 CD1 ILE A 59 -4.327 -0.517 4.136 1.00 0.00 C ATOM 0 H ILE A 59 -0.546 1.531 4.677 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.681 0.065 2.064 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.723 1.752 3.456 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.538 -1.300 3.249 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.267 -0.378 4.714 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.283 0.705 1.803 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.991 1.634 1.005 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.904 -0.142 1.064 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.492 -1.415 4.732 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.636 0.359 4.706 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.912 -0.578 3.218 1.00 0.00 H new ATOM 974 N ILE A 60 -0.329 2.241 0.742 1.00 0.00 N ATOM 975 CA ILE A 60 -0.158 3.461 -0.043 1.00 0.00 C ATOM 976 C ILE A 60 -1.347 3.515 -1.007 1.00 0.00 C ATOM 977 O ILE A 60 -1.702 2.488 -1.600 1.00 0.00 O ATOM 978 CB ILE A 60 1.206 3.479 -0.779 1.00 0.00 C ATOM 979 CG1 ILE A 60 2.372 3.165 0.188 1.00 0.00 C ATOM 980 CG2 ILE A 60 1.415 4.854 -1.448 1.00 0.00 C ATOM 981 CD1 ILE A 60 3.752 3.107 -0.478 1.00 0.00 C ATOM 0 H ILE A 60 -0.358 1.397 0.169 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.143 4.346 0.593 1.00 0.00 H new ATOM 0 HB ILE A 60 1.196 2.703 -1.544 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.392 3.923 0.971 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.177 2.209 0.674 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.375 4.865 -1.965 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.614 5.035 -2.165 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.404 5.634 -0.687 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.509 2.882 0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.755 2.329 -1.241 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.974 4.069 -0.940 1.00 0.00 H new ATOM 993 N CYS A 61 -1.969 4.690 -1.150 1.00 0.00 N ATOM 994 CA CYS A 61 -3.025 4.955 -2.115 1.00 0.00 C ATOM 995 C CYS A 61 -3.073 6.449 -2.428 1.00 0.00 C ATOM 996 O CYS A 61 -2.620 7.262 -1.623 1.00 0.00 O ATOM 997 CB CYS A 61 -4.380 4.481 -1.565 1.00 0.00 C ATOM 998 SG CYS A 61 -4.881 5.404 -0.075 1.00 0.00 S ATOM 0 H CYS A 61 -1.740 5.503 -0.578 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.815 4.406 -3.033 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.143 4.596 -2.335 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.323 3.418 -1.330 1.00 0.00 H new ATOM 0 HG CYS A 61 -6.031 4.963 0.342 1.00 0.00 H new ATOM 1004 N LYS A 62 -3.696 6.827 -3.547 1.00 0.00 N ATOM 1005 CA LYS A 62 -4.062 8.223 -3.793 1.00 0.00 C ATOM 1006 C LYS A 62 -5.242 8.645 -2.927 1.00 0.00 C ATOM 1007 O LYS A 62 -5.257 9.786 -2.487 1.00 0.00 O ATOM 1008 CB LYS A 62 -4.378 8.453 -5.280 1.00 0.00 C ATOM 1009 CG LYS A 62 -3.105 8.696 -6.096 1.00 0.00 C ATOM 1010 CD LYS A 62 -3.416 9.136 -7.533 1.00 0.00 C ATOM 1011 CE LYS A 62 -2.082 9.434 -8.237 1.00 0.00 C ATOM 1012 NZ LYS A 62 -2.233 10.368 -9.370 1.00 0.00 N ATOM 0 H LYS A 62 -3.957 6.186 -4.296 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.206 8.841 -3.523 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.906 7.587 -5.678 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.045 9.309 -5.383 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.501 9.460 -5.606 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.509 7.784 -6.118 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.960 8.353 -8.062 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.052 10.021 -7.531 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.381 9.854 -7.516 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.649 8.500 -8.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.488 10.185 -10.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.165 10.232 -9.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.152 11.346 -9.027 1.00 0.00 H new ATOM 1026 N ASN A 63 -6.226 7.782 -2.664 1.00 0.00 N ATOM 1027 CA ASN A 63 -7.405 8.111 -1.854 1.00 0.00 C ATOM 1028 C ASN A 63 -7.932 6.844 -1.207 1.00 0.00 C ATOM 1029 O ASN A 63 -7.648 5.743 -1.685 1.00 0.00 O ATOM 1030 CB ASN A 63 -8.535 8.682 -2.732 1.00 0.00 C ATOM 1031 CG ASN A 63 -8.727 10.176 -2.596 1.00 0.00 C ATOM 1032 OD1 ASN A 63 -9.799 10.631 -2.222 1.00 0.00 O ATOM 1033 ND2 ASN A 63 -7.721 10.965 -2.898 1.00 0.00 N ATOM 0 H ASN A 63 -6.228 6.823 -3.011 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.108 8.849 -1.109 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.324 8.447 -3.775 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.469 8.182 -2.475 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.826 11.977 -2.822 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.835 10.566 -3.208 1.00 0.00 H new ATOM 1040 N ILE A 64 -8.809 7.009 -0.224 1.00 0.00 N ATOM 1041 CA ILE A 64 -9.529 5.946 0.467 1.00 0.00 C ATOM 1042 C ILE A 64 -10.962 6.428 0.705 1.00 0.00 C ATOM 1043 O ILE A 64 -11.196 7.632 0.847 1.00 0.00 O ATOM 1044 CB ILE A 64 -8.770 5.604 1.772 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -9.068 4.170 2.260 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -9.066 6.647 2.863 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -8.024 3.628 3.244 1.00 0.00 C ATOM 0 H ILE A 64 -9.049 7.935 0.131 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.582 5.028 -0.118 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.703 5.640 1.550 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.048 4.154 2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.122 3.505 1.398 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.523 6.387 3.772 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -8.750 7.632 2.520 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -10.136 6.662 3.072 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.298 2.617 3.544 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.046 3.612 2.764 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.986 4.270 4.124 1.00 0.00 H new ATOM 1059 N SER A 65 -11.906 5.500 0.811 1.00 0.00 N ATOM 1060 CA SER A 65 -13.212 5.776 1.376 1.00 0.00 C ATOM 1061 C SER A 65 -13.131 5.842 2.902 1.00 0.00 C ATOM 1062 O SER A 65 -12.315 5.150 3.522 1.00 0.00 O ATOM 1063 CB SER A 65 -14.220 4.730 0.892 1.00 0.00 C ATOM 1064 OG SER A 65 -13.880 3.399 1.257 1.00 0.00 O ATOM 0 H SER A 65 -11.782 4.535 0.506 1.00 0.00 H new ATOM 0 HA SER A 65 -13.559 6.751 1.033 1.00 0.00 H new ATOM 0 HB2 SER A 65 -15.203 4.969 1.299 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.301 4.791 -0.193 1.00 0.00 H new ATOM 0 HG SER A 65 -14.563 2.783 0.920 1.00 0.00 H new ATOM 1070 N GLU A 66 -14.017 6.634 3.504 1.00 0.00 N ATOM 1071 CA GLU A 66 -14.033 6.888 4.939 1.00 0.00 C ATOM 1072 C GLU A 66 -14.192 5.569 5.711 1.00 0.00 C ATOM 1073 O GLU A 66 -13.467 5.315 6.674 1.00 0.00 O ATOM 1074 CB GLU A 66 -15.172 7.874 5.255 1.00 0.00 C ATOM 1075 CG GLU A 66 -14.976 8.614 6.589 1.00 0.00 C ATOM 1076 CD GLU A 66 -13.918 9.727 6.549 1.00 0.00 C ATOM 1077 OE1 GLU A 66 -13.645 10.296 5.473 1.00 0.00 O ATOM 1078 OE2 GLU A 66 -13.423 10.131 7.630 1.00 0.00 O ATOM 0 H GLU A 66 -14.755 7.124 2.998 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.089 7.333 5.253 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.247 8.604 4.449 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.117 7.332 5.283 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.929 9.046 6.894 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.695 7.890 7.354 1.00 0.00 H new ATOM 1085 N GLU A 67 -15.115 4.704 5.272 1.00 0.00 N ATOM 1086 CA GLU A 67 -15.415 3.455 5.960 1.00 0.00 C ATOM 1087 C GLU A 67 -14.189 2.537 6.000 1.00 0.00 C ATOM 1088 O GLU A 67 -13.823 2.025 7.061 1.00 0.00 O ATOM 1089 CB GLU A 67 -16.617 2.741 5.307 1.00 0.00 C ATOM 1090 CG GLU A 67 -17.401 1.995 6.402 1.00 0.00 C ATOM 1091 CD GLU A 67 -18.372 0.919 5.904 1.00 0.00 C ATOM 1092 OE1 GLU A 67 -17.979 0.066 5.078 1.00 0.00 O ATOM 1093 OE2 GLU A 67 -19.506 0.842 6.436 1.00 0.00 O ATOM 0 H GLU A 67 -15.671 4.856 4.430 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.684 3.697 6.988 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -17.261 3.465 4.808 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -16.273 2.041 4.545 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.687 1.529 7.081 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.963 2.726 6.983 1.00 0.00 H new ATOM 1100 N ASN A 68 -13.559 2.319 4.842 1.00 0.00 N ATOM 1101 CA ASN A 68 -12.423 1.406 4.719 1.00 0.00 C ATOM 1102 C ASN A 68 -11.233 1.948 5.499 1.00 0.00 C ATOM 1103 O ASN A 68 -10.520 1.170 6.134 1.00 0.00 O ATOM 1104 CB ASN A 68 -12.042 1.184 3.250 1.00 0.00 C ATOM 1105 CG ASN A 68 -13.041 0.344 2.452 1.00 0.00 C ATOM 1106 OD1 ASN A 68 -13.976 -0.245 2.996 1.00 0.00 O ATOM 1107 ND2 ASN A 68 -12.853 0.287 1.144 1.00 0.00 N ATOM 0 H ASN A 68 -13.823 2.770 3.966 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.715 0.442 5.136 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.935 2.155 2.766 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.067 0.699 3.211 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.491 -0.254 0.560 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.070 0.784 0.719 1.00 0.00 H new ATOM 1114 N TYR A 69 -11.039 3.270 5.525 1.00 0.00 N ATOM 1115 CA TYR A 69 -10.026 3.883 6.372 1.00 0.00 C ATOM 1116 C TYR A 69 -10.222 3.455 7.821 1.00 0.00 C ATOM 1117 O TYR A 69 -9.311 2.903 8.437 1.00 0.00 O ATOM 1118 CB TYR A 69 -10.076 5.404 6.253 1.00 0.00 C ATOM 1119 CG TYR A 69 -8.995 6.079 7.060 1.00 0.00 C ATOM 1120 CD1 TYR A 69 -9.209 6.385 8.416 1.00 0.00 C ATOM 1121 CD2 TYR A 69 -7.753 6.352 6.468 1.00 0.00 C ATOM 1122 CE1 TYR A 69 -8.174 6.947 9.178 1.00 0.00 C ATOM 1123 CE2 TYR A 69 -6.747 6.997 7.186 1.00 0.00 C ATOM 1124 CZ TYR A 69 -6.942 7.278 8.557 1.00 0.00 C ATOM 1125 OH TYR A 69 -5.926 7.804 9.287 1.00 0.00 O ATOM 0 H TYR A 69 -11.575 3.933 4.965 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.045 3.546 6.038 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.974 5.687 5.205 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -11.051 5.760 6.586 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.169 6.188 8.870 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.574 6.059 5.444 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.314 7.127 10.234 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.826 7.280 6.698 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.248 8.175 8.684 1.00 0.00 H new ATOM 1135 N LYS A 70 -11.424 3.666 8.360 1.00 0.00 N ATOM 1136 CA LYS A 70 -11.751 3.343 9.746 1.00 0.00 C ATOM 1137 C LYS A 70 -11.530 1.855 10.048 1.00 0.00 C ATOM 1138 O LYS A 70 -11.274 1.499 11.205 1.00 0.00 O ATOM 1139 CB LYS A 70 -13.213 3.739 10.020 1.00 0.00 C ATOM 1140 CG LYS A 70 -13.435 5.261 10.028 1.00 0.00 C ATOM 1141 CD LYS A 70 -14.904 5.616 9.727 1.00 0.00 C ATOM 1142 CE LYS A 70 -15.352 6.948 10.339 1.00 0.00 C ATOM 1143 NZ LYS A 70 -15.321 6.905 11.814 1.00 0.00 N ATOM 0 H LYS A 70 -12.203 4.070 7.840 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.086 3.904 10.402 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.853 3.289 9.262 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.520 3.328 10.982 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.153 5.666 11.000 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.787 5.729 9.287 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -15.045 5.656 8.647 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -15.546 4.819 10.103 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.703 7.749 9.984 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -16.362 7.183 10.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.955 7.636 12.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.636 5.969 12.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.351 7.080 12.146 1.00 0.00 H new ATOM 1157 N LYS A 71 -11.613 0.970 9.047 1.00 0.00 N ATOM 1158 CA LYS A 71 -11.248 -0.432 9.205 1.00 0.00 C ATOM 1159 C LYS A 71 -9.734 -0.571 9.335 1.00 0.00 C ATOM 1160 O LYS A 71 -9.249 -1.078 10.345 1.00 0.00 O ATOM 1161 CB LYS A 71 -11.806 -1.275 8.044 1.00 0.00 C ATOM 1162 CG LYS A 71 -11.877 -2.762 8.428 1.00 0.00 C ATOM 1163 CD LYS A 71 -12.998 -3.498 7.677 1.00 0.00 C ATOM 1164 CE LYS A 71 -13.375 -4.781 8.417 1.00 0.00 C ATOM 1165 NZ LYS A 71 -14.592 -5.407 7.863 1.00 0.00 N ATOM 0 H LYS A 71 -11.935 1.211 8.109 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.696 -0.814 10.123 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.800 -0.917 7.775 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.174 -1.153 7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.921 -3.239 8.210 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.041 -2.852 9.502 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.871 -2.851 7.587 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.672 -3.736 6.664 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.547 -5.488 8.361 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.532 -4.557 9.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.810 -6.273 8.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.389 -4.744 7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.435 -5.645 6.863 1.00 0.00 H new ATOM 1179 N PHE A 72 -8.992 -0.174 8.300 1.00 0.00 N ATOM 1180 CA PHE A 72 -7.590 -0.549 8.169 1.00 0.00 C ATOM 1181 C PHE A 72 -6.668 0.271 9.081 1.00 0.00 C ATOM 1182 O PHE A 72 -5.634 -0.267 9.494 1.00 0.00 O ATOM 1183 CB PHE A 72 -7.162 -0.488 6.694 1.00 0.00 C ATOM 1184 CG PHE A 72 -7.601 -1.693 5.870 1.00 0.00 C ATOM 1185 CD1 PHE A 72 -6.791 -2.842 5.822 1.00 0.00 C ATOM 1186 CD2 PHE A 72 -8.813 -1.690 5.156 1.00 0.00 C ATOM 1187 CE1 PHE A 72 -7.173 -3.964 5.064 1.00 0.00 C ATOM 1188 CE2 PHE A 72 -9.189 -2.805 4.387 1.00 0.00 C ATOM 1189 CZ PHE A 72 -8.370 -3.943 4.329 1.00 0.00 C ATOM 0 H PHE A 72 -9.343 0.409 7.540 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.487 -1.579 8.510 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.573 0.416 6.244 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.076 -0.403 6.645 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.863 -2.863 6.375 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -9.459 -0.825 5.199 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.545 -4.843 5.047 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -10.117 -2.786 3.835 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.656 -4.792 3.727 1.00 0.00 H new ATOM 1199 N SER A 73 -7.046 1.498 9.465 1.00 0.00 N ATOM 1200 CA SER A 73 -6.290 2.423 10.320 1.00 0.00 C ATOM 1201 C SER A 73 -6.288 1.994 11.802 1.00 0.00 C ATOM 1202 O SER A 73 -6.232 2.825 12.711 1.00 0.00 O ATOM 1203 CB SER A 73 -6.836 3.850 10.121 1.00 0.00 C ATOM 1204 OG SER A 73 -5.828 4.817 10.359 1.00 0.00 O ATOM 0 H SER A 73 -7.939 1.894 9.170 1.00 0.00 H new ATOM 0 HA SER A 73 -5.243 2.401 10.019 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.217 3.959 9.106 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.675 4.020 10.796 1.00 0.00 H new ATOM 0 HG SER A 73 -6.054 5.647 9.890 1.00 0.00 H new ATOM 1210 N LYS A 74 -6.351 0.685 12.060 1.00 0.00 N ATOM 1211 CA LYS A 74 -6.410 0.064 13.377 1.00 0.00 C ATOM 1212 C LYS A 74 -5.205 -0.852 13.623 1.00 0.00 C ATOM 1213 O LYS A 74 -5.272 -1.688 14.527 1.00 0.00 O ATOM 1214 CB LYS A 74 -7.753 -0.676 13.496 1.00 0.00 C ATOM 1215 CG LYS A 74 -8.520 -0.406 14.805 1.00 0.00 C ATOM 1216 CD LYS A 74 -8.056 -1.205 16.035 1.00 0.00 C ATOM 1217 CE LYS A 74 -8.256 -2.713 15.878 1.00 0.00 C ATOM 1218 NZ LYS A 74 -9.681 -3.090 15.841 1.00 0.00 N ATOM 0 H LYS A 74 -6.363 -0.005 11.309 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.355 0.826 14.155 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.385 -0.392 12.655 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.571 -1.747 13.411 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.442 0.656 15.036 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.575 -0.619 14.635 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.001 -1.001 16.217 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.603 -0.861 16.913 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.770 -3.048 14.961 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.768 -3.230 16.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.765 -4.126 15.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.160 -2.721 16.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.124 -2.688 14.990 1.00 0.00 H new ATOM 1232 N LYS A 75 -4.153 -0.770 12.798 1.00 0.00 N ATOM 1233 CA LYS A 75 -2.809 -1.308 13.026 1.00 0.00 C ATOM 1234 C LYS A 75 -1.849 -1.050 11.857 1.00 0.00 C ATOM 1235 O LYS A 75 -0.652 -1.304 12.002 1.00 0.00 O ATOM 1236 CB LYS A 75 -2.801 -2.810 13.382 1.00 0.00 C ATOM 1237 CG LYS A 75 -2.401 -2.957 14.858 1.00 0.00 C ATOM 1238 CD LYS A 75 -2.580 -4.364 15.426 1.00 0.00 C ATOM 1239 CE LYS A 75 -2.358 -4.279 16.940 1.00 0.00 C ATOM 1240 NZ LYS A 75 -2.772 -5.504 17.650 1.00 0.00 N ATOM 0 H LYS A 75 -4.224 -0.296 11.898 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.448 -0.755 13.893 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.785 -3.245 13.211 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.099 -3.347 12.744 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.357 -2.664 14.969 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.992 -2.261 15.453 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.578 -4.743 15.205 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.869 -5.054 14.972 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.303 -4.090 17.137 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.914 -3.430 17.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.599 -5.390 18.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.785 -5.674 17.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.224 -6.313 17.295 1.00 0.00 H new ATOM 1254 N ILE A 76 -2.336 -0.611 10.694 1.00 0.00 N ATOM 1255 CA ILE A 76 -1.559 -0.474 9.468 1.00 0.00 C ATOM 1256 C ILE A 76 -1.550 1.013 9.133 1.00 0.00 C ATOM 1257 O ILE A 76 -2.596 1.666 9.118 1.00 0.00 O ATOM 1258 CB ILE A 76 -2.180 -1.328 8.337 1.00 0.00 C ATOM 1259 CG1 ILE A 76 -2.345 -2.820 8.707 1.00 0.00 C ATOM 1260 CG2 ILE A 76 -1.300 -1.235 7.083 1.00 0.00 C ATOM 1261 CD1 ILE A 76 -3.324 -3.550 7.778 1.00 0.00 C ATOM 0 H ILE A 76 -3.311 -0.334 10.580 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.538 -0.836 9.589 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.177 -0.923 8.161 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.373 -3.311 8.664 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.697 -2.899 9.736 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.737 -1.837 6.286 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.236 -0.196 6.760 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.301 -1.606 7.311 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.404 -4.594 8.081 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.305 -3.078 7.840 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.960 -3.497 6.752 1.00 0.00 H new ATOM 1273 N GLU A 77 -0.360 1.548 8.898 1.00 0.00 N ATOM 1274 CA GLU A 77 -0.127 2.957 8.649 1.00 0.00 C ATOM 1275 C GLU A 77 -0.536 3.268 7.207 1.00 0.00 C ATOM 1276 O GLU A 77 -0.057 2.633 6.271 1.00 0.00 O ATOM 1277 CB GLU A 77 1.357 3.225 8.938 1.00 0.00 C ATOM 1278 CG GLU A 77 1.647 3.016 10.443 1.00 0.00 C ATOM 1279 CD GLU A 77 2.916 2.218 10.764 1.00 0.00 C ATOM 1280 OE1 GLU A 77 3.945 2.340 10.069 1.00 0.00 O ATOM 1281 OE2 GLU A 77 2.889 1.407 11.719 1.00 0.00 O ATOM 0 H GLU A 77 0.495 0.992 8.875 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.719 3.611 9.289 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.979 2.556 8.343 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.615 4.243 8.647 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.722 3.993 10.920 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.795 2.507 10.893 1.00 0.00 H new ATOM 1288 N ILE A 78 -1.469 4.195 7.003 1.00 0.00 N ATOM 1289 CA ILE A 78 -1.996 4.509 5.677 1.00 0.00 C ATOM 1290 C ILE A 78 -1.288 5.773 5.202 1.00 0.00 C ATOM 1291 O ILE A 78 -1.240 6.774 5.925 1.00 0.00 O ATOM 1292 CB ILE A 78 -3.536 4.623 5.758 1.00 0.00 C ATOM 1293 CG1 ILE A 78 -4.139 3.247 6.133 1.00 0.00 C ATOM 1294 CG2 ILE A 78 -4.199 5.076 4.445 1.00 0.00 C ATOM 1295 CD1 ILE A 78 -5.388 3.393 6.988 1.00 0.00 C ATOM 0 H ILE A 78 -1.881 4.750 7.753 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.802 3.729 4.941 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.736 5.383 6.513 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.383 2.697 5.224 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.396 2.659 6.672 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.279 5.132 4.583 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.818 6.058 4.165 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.970 4.360 3.656 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.781 2.405 7.230 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.139 3.920 7.909 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.141 3.958 6.439 1.00 0.00 H new ATOM 1307 N TYR A 79 -0.711 5.712 4.005 1.00 0.00 N ATOM 1308 CA TYR A 79 0.098 6.761 3.410 1.00 0.00 C ATOM 1309 C TYR A 79 -0.544 7.255 2.124 1.00 0.00 C ATOM 1310 O TYR A 79 -1.270 6.519 1.441 1.00 0.00 O ATOM 1311 CB TYR A 79 1.499 6.230 3.103 1.00 0.00 C ATOM 1312 CG TYR A 79 2.417 6.083 4.295 1.00 0.00 C ATOM 1313 CD1 TYR A 79 2.331 4.961 5.140 1.00 0.00 C ATOM 1314 CD2 TYR A 79 3.404 7.056 4.517 1.00 0.00 C ATOM 1315 CE1 TYR A 79 3.298 4.771 6.147 1.00 0.00 C ATOM 1316 CE2 TYR A 79 4.389 6.861 5.495 1.00 0.00 C ATOM 1317 CZ TYR A 79 4.354 5.703 6.298 1.00 0.00 C ATOM 1318 OH TYR A 79 5.361 5.494 7.184 1.00 0.00 O ATOM 0 H TYR A 79 -0.801 4.895 3.402 1.00 0.00 H new ATOM 0 HA TYR A 79 0.168 7.587 4.117 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.402 5.258 2.620 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.972 6.898 2.383 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.528 4.249 5.017 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.404 7.962 3.930 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.234 3.916 6.803 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.170 7.594 5.633 1.00 0.00 H new ATOM 0 HH TYR A 79 5.993 6.242 7.144 1.00 0.00 H new ATOM 1328 N HIS A 80 -0.219 8.502 1.794 1.00 0.00 N ATOM 1329 CA HIS A 80 -0.592 9.141 0.550 1.00 0.00 C ATOM 1330 C HIS A 80 0.454 8.800 -0.497 1.00 0.00 C ATOM 1331 O HIS A 80 1.653 8.864 -0.227 1.00 0.00 O ATOM 1332 CB HIS A 80 -0.698 10.661 0.770 1.00 0.00 C ATOM 1333 CG HIS A 80 -1.601 11.390 -0.199 1.00 0.00 C ATOM 1334 ND1 HIS A 80 -1.448 12.699 -0.613 1.00 0.00 N ATOM 1335 CD2 HIS A 80 -2.771 10.921 -0.742 1.00 0.00 C ATOM 1336 CE1 HIS A 80 -2.513 13.004 -1.375 1.00 0.00 C ATOM 1337 NE2 HIS A 80 -3.346 11.957 -1.478 1.00 0.00 N ATOM 0 H HIS A 80 0.327 9.107 2.407 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.563 8.786 0.204 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.058 10.841 1.783 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.301 11.092 0.705 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -3.175 9.927 -0.621 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -2.676 13.964 -1.842 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.226 11.925 -1.993 1.00 0.00 H new ATOM 1345 N ALA A 81 -0.007 8.449 -1.694 1.00 0.00 N ATOM 1346 CA ALA A 81 0.830 8.495 -2.872 1.00 0.00 C ATOM 1347 C ALA A 81 1.180 9.957 -3.173 1.00 0.00 C ATOM 1348 O ALA A 81 0.380 10.858 -2.927 1.00 0.00 O ATOM 1349 CB ALA A 81 0.085 7.856 -4.048 1.00 0.00 C ATOM 0 H ALA A 81 -0.960 8.130 -1.866 1.00 0.00 H new ATOM 0 HA ALA A 81 1.753 7.939 -2.707 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.713 7.889 -4.938 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.151 6.819 -3.809 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.838 8.405 -4.235 1.00 0.00 H new ATOM 1355 N GLU A 82 2.331 10.171 -3.796 1.00 0.00 N ATOM 1356 CA GLU A 82 2.914 11.452 -4.182 1.00 0.00 C ATOM 1357 C GLU A 82 3.236 11.435 -5.684 1.00 0.00 C ATOM 1358 O GLU A 82 4.149 12.119 -6.156 1.00 0.00 O ATOM 1359 CB GLU A 82 4.177 11.659 -3.333 1.00 0.00 C ATOM 1360 CG GLU A 82 3.889 12.279 -1.966 1.00 0.00 C ATOM 1361 CD GLU A 82 3.696 13.797 -2.055 1.00 0.00 C ATOM 1362 OE1 GLU A 82 4.716 14.538 -2.053 1.00 0.00 O ATOM 1363 OE2 GLU A 82 2.535 14.258 -2.103 1.00 0.00 O ATOM 0 H GLU A 82 2.930 9.391 -4.067 1.00 0.00 H new ATOM 0 HA GLU A 82 2.223 12.276 -4.007 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.673 10.699 -3.192 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.871 12.300 -3.876 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.994 11.824 -1.542 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.712 12.057 -1.286 1.00 0.00 H new ATOM 1370 N GLY A 83 2.547 10.589 -6.453 1.00 0.00 N ATOM 1371 CA GLY A 83 2.827 10.417 -7.859 1.00 0.00 C ATOM 1372 C GLY A 83 1.955 9.350 -8.494 1.00 0.00 C ATOM 1373 O GLY A 83 0.998 8.855 -7.894 1.00 0.00 O ATOM 0 H GLY A 83 1.782 10.009 -6.108 1.00 0.00 H new ATOM 0 HA2 GLY A 83 2.673 11.364 -8.376 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.876 10.150 -7.988 1.00 0.00 H new ATOM 1377 N ASP A 84 2.328 9.017 -9.724 1.00 0.00 N ATOM 1378 CA ASP A 84 1.788 7.937 -10.542 1.00 0.00 C ATOM 1379 C ASP A 84 2.901 6.918 -10.789 1.00 0.00 C ATOM 1380 O ASP A 84 2.610 5.760 -11.094 1.00 0.00 O ATOM 1381 CB ASP A 84 1.280 8.444 -11.908 1.00 0.00 C ATOM 1382 CG ASP A 84 0.087 9.407 -11.896 1.00 0.00 C ATOM 1383 OD1 ASP A 84 -0.013 10.283 -11.004 1.00 0.00 O ATOM 1384 OD2 ASP A 84 -0.713 9.375 -12.855 1.00 0.00 O ATOM 0 H ASP A 84 3.065 9.529 -10.209 1.00 0.00 H new ATOM 0 HA ASP A 84 0.945 7.496 -10.010 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.109 8.938 -12.415 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.009 7.577 -12.511 1.00 0.00 H new ATOM 1389 N ASP A 85 4.172 7.332 -10.658 1.00 0.00 N ATOM 1390 CA ASP A 85 5.338 6.476 -10.778 1.00 0.00 C ATOM 1391 C ASP A 85 5.419 5.678 -9.488 1.00 0.00 C ATOM 1392 O ASP A 85 5.790 6.218 -8.437 1.00 0.00 O ATOM 1393 CB ASP A 85 6.616 7.304 -10.998 1.00 0.00 C ATOM 1394 CG ASP A 85 7.382 6.908 -12.259 1.00 0.00 C ATOM 1395 OD1 ASP A 85 7.560 5.698 -12.519 1.00 0.00 O ATOM 1396 OD2 ASP A 85 7.826 7.814 -13.001 1.00 0.00 O ATOM 0 H ASP A 85 4.411 8.303 -10.460 1.00 0.00 H new ATOM 0 HA ASP A 85 5.250 5.817 -11.641 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.351 8.360 -11.059 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.269 7.188 -10.133 1.00 0.00 H new ATOM 1401 N VAL A 86 5.038 4.405 -9.547 1.00 0.00 N ATOM 1402 CA VAL A 86 5.125 3.496 -8.416 1.00 0.00 C ATOM 1403 C VAL A 86 6.543 3.535 -7.839 1.00 0.00 C ATOM 1404 O VAL A 86 6.700 3.571 -6.624 1.00 0.00 O ATOM 1405 CB VAL A 86 4.695 2.081 -8.858 1.00 0.00 C ATOM 1406 CG1 VAL A 86 5.048 1.004 -7.823 1.00 0.00 C ATOM 1407 CG2 VAL A 86 3.180 2.044 -9.075 1.00 0.00 C ATOM 0 H VAL A 86 4.657 3.975 -10.390 1.00 0.00 H new ATOM 0 HA VAL A 86 4.446 3.803 -7.621 1.00 0.00 H new ATOM 0 HB VAL A 86 5.236 1.866 -9.779 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.722 0.029 -8.187 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.126 0.991 -7.665 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.546 1.226 -6.881 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.881 1.043 -9.387 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.673 2.301 -8.145 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.906 2.762 -9.848 1.00 0.00 H new ATOM 1417 N ASP A 87 7.579 3.584 -8.675 1.00 0.00 N ATOM 1418 CA ASP A 87 8.949 3.399 -8.198 1.00 0.00 C ATOM 1419 C ASP A 87 9.401 4.623 -7.394 1.00 0.00 C ATOM 1420 O ASP A 87 10.038 4.473 -6.350 1.00 0.00 O ATOM 1421 CB ASP A 87 9.889 3.062 -9.364 1.00 0.00 C ATOM 1422 CG ASP A 87 9.838 1.572 -9.718 1.00 0.00 C ATOM 1423 OD1 ASP A 87 8.760 1.052 -10.083 1.00 0.00 O ATOM 1424 OD2 ASP A 87 10.878 0.878 -9.623 1.00 0.00 O ATOM 0 H ASP A 87 7.498 3.749 -9.678 1.00 0.00 H new ATOM 0 HA ASP A 87 8.985 2.546 -7.520 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.613 3.653 -10.237 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.910 3.339 -9.101 1.00 0.00 H new ATOM 1429 N LYS A 88 8.978 5.834 -7.786 1.00 0.00 N ATOM 1430 CA LYS A 88 9.163 7.041 -6.972 1.00 0.00 C ATOM 1431 C LYS A 88 8.442 6.903 -5.633 1.00 0.00 C ATOM 1432 O LYS A 88 8.937 7.335 -4.599 1.00 0.00 O ATOM 1433 CB LYS A 88 8.663 8.264 -7.763 1.00 0.00 C ATOM 1434 CG LYS A 88 8.780 9.633 -7.065 1.00 0.00 C ATOM 1435 CD LYS A 88 10.177 9.910 -6.490 1.00 0.00 C ATOM 1436 CE LYS A 88 10.540 11.403 -6.429 1.00 0.00 C ATOM 1437 NZ LYS A 88 9.733 12.169 -5.455 1.00 0.00 N ATOM 0 H LYS A 88 8.501 6.002 -8.672 1.00 0.00 H new ATOM 0 HA LYS A 88 10.222 7.177 -6.752 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.216 8.312 -8.701 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.616 8.100 -8.018 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.527 10.418 -7.778 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.047 9.685 -6.260 1.00 0.00 H new ATOM 0 HD2 LYS A 88 10.236 9.490 -5.486 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.919 9.390 -7.097 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.595 11.502 -6.172 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.411 11.840 -7.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.075 13.150 -5.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.735 12.161 -5.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.821 11.735 -4.514 1.00 0.00 H new ATOM 1451 N ASN A 89 7.246 6.320 -5.633 1.00 0.00 N ATOM 1452 CA ASN A 89 6.449 6.193 -4.421 1.00 0.00 C ATOM 1453 C ASN A 89 7.017 5.120 -3.494 1.00 0.00 C ATOM 1454 O ASN A 89 6.833 5.205 -2.283 1.00 0.00 O ATOM 1455 CB ASN A 89 4.997 5.892 -4.805 1.00 0.00 C ATOM 1456 CG ASN A 89 4.294 7.174 -5.234 1.00 0.00 C ATOM 1457 OD1 ASN A 89 3.452 7.698 -4.524 1.00 0.00 O ATOM 1458 ND2 ASN A 89 4.646 7.754 -6.367 1.00 0.00 N ATOM 0 H ASN A 89 6.807 5.927 -6.466 1.00 0.00 H new ATOM 0 HA ASN A 89 6.482 7.133 -3.870 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.970 5.164 -5.616 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.474 5.446 -3.959 1.00 0.00 H new ATOM 0 HD21 ASN A 89 4.214 8.636 -6.644 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.350 7.320 -6.965 1.00 0.00 H new ATOM 1465 N ILE A 90 7.709 4.118 -4.038 1.00 0.00 N ATOM 1466 CA ILE A 90 8.370 3.085 -3.260 1.00 0.00 C ATOM 1467 C ILE A 90 9.557 3.726 -2.535 1.00 0.00 C ATOM 1468 O ILE A 90 9.638 3.592 -1.314 1.00 0.00 O ATOM 1469 CB ILE A 90 8.732 1.878 -4.158 1.00 0.00 C ATOM 1470 CG1 ILE A 90 7.452 1.114 -4.581 1.00 0.00 C ATOM 1471 CG2 ILE A 90 9.685 0.905 -3.434 1.00 0.00 C ATOM 1472 CD1 ILE A 90 7.702 0.064 -5.664 1.00 0.00 C ATOM 0 H ILE A 90 7.824 4.005 -5.045 1.00 0.00 H new ATOM 0 HA ILE A 90 7.712 2.670 -2.497 1.00 0.00 H new ATOM 0 HB ILE A 90 9.235 2.269 -5.042 1.00 0.00 H new ATOM 0 HG12 ILE A 90 7.022 0.627 -3.706 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.713 1.829 -4.943 1.00 0.00 H new ATOM 0 HG21 ILE A 90 9.920 0.068 -4.092 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.604 1.427 -3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 90 9.205 0.532 -2.529 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.764 -0.433 -5.913 1.00 0.00 H new ATOM 0 HD12 ILE A 90 8.103 0.548 -6.554 1.00 0.00 H new ATOM 0 HD13 ILE A 90 8.417 -0.673 -5.298 1.00 0.00 H new ATOM 1484 N SER A 91 10.430 4.434 -3.254 1.00 0.00 N ATOM 1485 CA SER A 91 11.611 5.087 -2.693 1.00 0.00 C ATOM 1486 C SER A 91 11.224 6.094 -1.603 1.00 0.00 C ATOM 1487 O SER A 91 11.788 6.069 -0.505 1.00 0.00 O ATOM 1488 CB SER A 91 12.470 5.700 -3.812 1.00 0.00 C ATOM 1489 OG SER A 91 11.708 6.180 -4.906 1.00 0.00 O ATOM 0 H SER A 91 10.333 4.571 -4.260 1.00 0.00 H new ATOM 0 HA SER A 91 12.230 4.337 -2.199 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.058 6.520 -3.401 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.175 4.950 -4.171 1.00 0.00 H new ATOM 0 HG SER A 91 10.856 6.537 -4.579 1.00 0.00 H new ATOM 1495 N LEU A 92 10.195 6.914 -1.845 1.00 0.00 N ATOM 1496 CA LEU A 92 9.719 7.873 -0.852 1.00 0.00 C ATOM 1497 C LEU A 92 9.216 7.162 0.406 1.00 0.00 C ATOM 1498 O LEU A 92 9.385 7.663 1.519 1.00 0.00 O ATOM 1499 CB LEU A 92 8.574 8.708 -1.435 1.00 0.00 C ATOM 1500 CG LEU A 92 8.991 9.733 -2.497 1.00 0.00 C ATOM 1501 CD1 LEU A 92 7.729 10.204 -3.229 1.00 0.00 C ATOM 1502 CD2 LEU A 92 9.679 10.952 -1.879 1.00 0.00 C ATOM 0 H LEU A 92 9.677 6.930 -2.724 1.00 0.00 H new ATOM 0 HA LEU A 92 10.557 8.517 -0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.839 8.033 -1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.077 9.234 -0.620 1.00 0.00 H new ATOM 0 HG LEU A 92 9.698 9.256 -3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 92 8.001 10.935 -3.990 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.243 9.351 -3.702 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.044 10.662 -2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.957 11.651 -2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.997 11.441 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.574 10.633 -1.345 1.00 0.00 H new ATOM 1514 N PHE A 93 8.557 6.012 0.251 1.00 0.00 N ATOM 1515 CA PHE A 93 8.044 5.250 1.376 1.00 0.00 C ATOM 1516 C PHE A 93 9.171 4.613 2.194 1.00 0.00 C ATOM 1517 O PHE A 93 9.066 4.572 3.423 1.00 0.00 O ATOM 1518 CB PHE A 93 7.091 4.169 0.868 1.00 0.00 C ATOM 1519 CG PHE A 93 6.677 3.212 1.959 1.00 0.00 C ATOM 1520 CD1 PHE A 93 5.680 3.575 2.885 1.00 0.00 C ATOM 1521 CD2 PHE A 93 7.358 1.989 2.095 1.00 0.00 C ATOM 1522 CE1 PHE A 93 5.349 2.693 3.928 1.00 0.00 C ATOM 1523 CE2 PHE A 93 7.011 1.111 3.127 1.00 0.00 C ATOM 1524 CZ PHE A 93 6.005 1.455 4.041 1.00 0.00 C ATOM 0 H PHE A 93 8.368 5.589 -0.658 1.00 0.00 H new ATOM 0 HA PHE A 93 7.510 5.937 2.033 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.204 4.640 0.445 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.572 3.613 0.063 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.173 4.524 2.794 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.147 1.729 1.405 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.589 2.967 4.644 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.521 0.163 3.220 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.735 0.770 4.831 1.00 0.00 H new ATOM 1534 N ILE A 94 10.212 4.103 1.530 1.00 0.00 N ATOM 1535 CA ILE A 94 11.386 3.503 2.160 1.00 0.00 C ATOM 1536 C ILE A 94 11.986 4.496 3.155 1.00 0.00 C ATOM 1537 O ILE A 94 12.330 4.110 4.274 1.00 0.00 O ATOM 1538 CB ILE A 94 12.377 3.026 1.066 1.00 0.00 C ATOM 1539 CG1 ILE A 94 11.833 1.732 0.428 1.00 0.00 C ATOM 1540 CG2 ILE A 94 13.783 2.754 1.621 1.00 0.00 C ATOM 1541 CD1 ILE A 94 12.436 1.393 -0.938 1.00 0.00 C ATOM 0 H ILE A 94 10.260 4.097 0.511 1.00 0.00 H new ATOM 0 HA ILE A 94 11.117 2.615 2.732 1.00 0.00 H new ATOM 0 HB ILE A 94 12.463 3.825 0.330 1.00 0.00 H new ATOM 0 HG12 ILE A 94 12.018 0.901 1.109 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.752 1.822 0.321 1.00 0.00 H new ATOM 0 HG21 ILE A 94 14.435 2.423 0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 94 14.184 3.668 2.060 1.00 0.00 H new ATOM 0 HG23 ILE A 94 13.729 1.978 2.385 1.00 0.00 H new ATOM 0 HD11 ILE A 94 11.996 0.468 -1.311 1.00 0.00 H new ATOM 0 HD12 ILE A 94 12.228 2.202 -1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 94 13.514 1.267 -0.839 1.00 0.00 H new ATOM 1553 N GLU A 95 12.104 5.764 2.775 1.00 0.00 N ATOM 1554 CA GLU A 95 12.639 6.804 3.635 1.00 0.00 C ATOM 1555 C GLU A 95 11.604 7.411 4.585 1.00 0.00 C ATOM 1556 O GLU A 95 11.993 8.032 5.574 1.00 0.00 O ATOM 1557 CB GLU A 95 13.263 7.853 2.717 1.00 0.00 C ATOM 1558 CG GLU A 95 14.663 7.375 2.290 1.00 0.00 C ATOM 1559 CD GLU A 95 15.671 7.426 3.445 1.00 0.00 C ATOM 1560 OE1 GLU A 95 16.126 8.553 3.770 1.00 0.00 O ATOM 1561 OE2 GLU A 95 15.949 6.362 4.057 1.00 0.00 O ATOM 0 H GLU A 95 11.827 6.098 1.852 1.00 0.00 H new ATOM 0 HA GLU A 95 13.384 6.374 4.305 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.634 8.008 1.840 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.333 8.811 3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.597 6.355 1.913 1.00 0.00 H new ATOM 0 HG3 GLU A 95 15.022 7.996 1.469 1.00 0.00 H new ATOM 1568 N GLY A 96 10.307 7.207 4.345 1.00 0.00 N ATOM 1569 CA GLY A 96 9.248 7.786 5.167 1.00 0.00 C ATOM 1570 C GLY A 96 8.933 9.229 4.779 1.00 0.00 C ATOM 1571 O GLY A 96 8.385 9.976 5.587 1.00 0.00 O ATOM 0 H GLY A 96 9.963 6.635 3.574 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.346 7.182 5.071 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.545 7.751 6.215 1.00 0.00 H new ATOM 1575 N GLU A 97 9.303 9.647 3.569 1.00 0.00 N ATOM 1576 CA GLU A 97 9.036 10.972 3.017 1.00 0.00 C ATOM 1577 C GLU A 97 7.558 11.145 2.629 1.00 0.00 C ATOM 1578 O GLU A 97 7.085 12.281 2.568 1.00 0.00 O ATOM 1579 CB GLU A 97 9.959 11.175 1.799 1.00 0.00 C ATOM 1580 CG GLU A 97 11.276 11.883 2.149 1.00 0.00 C ATOM 1581 CD GLU A 97 11.341 13.360 1.743 1.00 0.00 C ATOM 1582 OE1 GLU A 97 11.046 13.716 0.578 1.00 0.00 O ATOM 1583 OE2 GLU A 97 11.760 14.187 2.586 1.00 0.00 O ATOM 0 H GLU A 97 9.817 9.048 2.923 1.00 0.00 H new ATOM 0 HA GLU A 97 9.241 11.729 3.775 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.182 10.205 1.355 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.431 11.757 1.044 1.00 0.00 H new ATOM 0 HG2 GLU A 97 11.437 11.809 3.225 1.00 0.00 H new ATOM 0 HG3 GLU A 97 12.097 11.352 1.667 1.00 0.00 H new ATOM 1590 N LEU A 98 6.821 10.052 2.384 1.00 0.00 N ATOM 1591 CA LEU A 98 5.385 10.105 2.097 1.00 0.00 C ATOM 1592 C LEU A 98 4.615 10.532 3.340 1.00 0.00 C ATOM 1593 O LEU A 98 4.850 10.028 4.438 1.00 0.00 O ATOM 1594 CB LEU A 98 4.827 8.744 1.654 1.00 0.00 C ATOM 1595 CG LEU A 98 5.324 8.166 0.322 1.00 0.00 C ATOM 1596 CD1 LEU A 98 4.559 6.872 0.030 1.00 0.00 C ATOM 1597 CD2 LEU A 98 5.131 9.127 -0.852 1.00 0.00 C ATOM 0 H LEU A 98 7.206 9.108 2.380 1.00 0.00 H new ATOM 0 HA LEU A 98 5.260 10.824 1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.050 8.020 2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.742 8.829 1.598 1.00 0.00 H new ATOM 0 HG LEU A 98 6.394 7.986 0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.903 6.451 -0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.736 6.156 0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.492 7.087 -0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.501 8.663 -1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.071 9.356 -0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.683 10.048 -0.663 1.00 0.00 H new ATOM 1609 N SER A 99 3.639 11.404 3.147 1.00 0.00 N ATOM 1610 CA SER A 99 2.698 11.854 4.156 1.00 0.00 C ATOM 1611 C SER A 99 1.730 10.742 4.567 1.00 0.00 C ATOM 1612 O SER A 99 1.055 10.141 3.726 1.00 0.00 O ATOM 1613 CB SER A 99 1.964 13.060 3.580 1.00 0.00 C ATOM 1614 OG SER A 99 2.844 14.169 3.543 1.00 0.00 O ATOM 0 H SER A 99 3.475 11.837 2.238 1.00 0.00 H new ATOM 0 HA SER A 99 3.226 12.133 5.068 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.602 12.835 2.577 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.091 13.294 4.189 1.00 0.00 H new ATOM 0 HG SER A 99 2.376 14.946 3.172 1.00 0.00 H new ATOM 1620 N LYS A 100 1.646 10.475 5.871 1.00 0.00 N ATOM 1621 CA LYS A 100 0.693 9.542 6.469 1.00 0.00 C ATOM 1622 C LYS A 100 -0.686 10.192 6.476 1.00 0.00 C ATOM 1623 O LYS A 100 -0.862 11.252 7.080 1.00 0.00 O ATOM 1624 CB LYS A 100 1.159 9.184 7.886 1.00 0.00 C ATOM 1625 CG LYS A 100 2.402 8.284 7.812 1.00 0.00 C ATOM 1626 CD LYS A 100 3.135 8.134 9.149 1.00 0.00 C ATOM 1627 CE LYS A 100 2.237 7.642 10.288 1.00 0.00 C ATOM 1628 NZ LYS A 100 2.973 7.618 11.567 1.00 0.00 N ATOM 0 H LYS A 100 2.257 10.915 6.559 1.00 0.00 H new ATOM 0 HA LYS A 100 0.636 8.619 5.892 1.00 0.00 H new ATOM 0 HB2 LYS A 100 1.389 10.092 8.444 1.00 0.00 H new ATOM 0 HB3 LYS A 100 0.360 8.673 8.424 1.00 0.00 H new ATOM 0 HG2 LYS A 100 2.104 7.297 7.458 1.00 0.00 H new ATOM 0 HG3 LYS A 100 3.092 8.692 7.073 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.963 7.437 9.024 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.567 9.095 9.427 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.367 8.292 10.377 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.866 6.643 10.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.344 7.281 12.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 3.789 6.979 11.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 3.305 8.577 11.794 1.00 0.00 H new ATOM 1642 N ILE A 101 -1.669 9.597 5.801 1.00 0.00 N ATOM 1643 CA ILE A 101 -3.010 10.161 5.744 1.00 0.00 C ATOM 1644 C ILE A 101 -3.652 9.984 7.116 1.00 0.00 C ATOM 1645 O ILE A 101 -3.976 8.864 7.531 1.00 0.00 O ATOM 1646 CB ILE A 101 -3.893 9.576 4.621 1.00 0.00 C ATOM 1647 CG1 ILE A 101 -3.210 9.680 3.243 1.00 0.00 C ATOM 1648 CG2 ILE A 101 -5.224 10.364 4.620 1.00 0.00 C ATOM 1649 CD1 ILE A 101 -3.884 8.829 2.162 1.00 0.00 C ATOM 0 H ILE A 101 -1.558 8.723 5.286 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.924 11.218 5.491 1.00 0.00 H new ATOM 0 HB ILE A 101 -4.064 8.516 4.806 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.208 10.723 2.925 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.168 9.374 3.338 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -5.875 9.977 3.837 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -5.714 10.252 5.587 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.022 11.419 4.435 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.351 8.950 1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -3.863 7.780 2.459 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -4.918 9.150 2.039 1.00 0.00 H new