USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 972 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 116 SER OG : rot 68:sc= 0.283 USER MOD Set 1.2: A 118 THR OG1 : rot 160:sc= 0.263 USER MOD Set 2.1: A 98 HIS : no HD1:sc= 0.234 K(o=-0.65,f=-6.8!) USER MOD Set 2.2: A 100 MET CE :methyl 169:sc= -0.879 (180deg=-0.166) USER MOD Set 2.3: A 112 MET CE :methyl 135:sc=-0.00752 (180deg=-0.0117) USER MOD Set 3.1: A 89 LYS NZ :NH3+ 173:sc= 0.537 (180deg=0) USER MOD Set 3.2: A 90 SER OG : rot -129:sc= 0.499 USER MOD Set 4.1: A 68 MET CE :methyl -140:sc= -0.0103 (180deg=-0.412) USER MOD Set 4.2: A 107 MET CE :methyl 167:sc= 0 (180deg=0) USER MOD Set 5.1: A 6 LYS NZ :NH3+ -152:sc= 0.886 (180deg=0) USER MOD Set 5.2: A 7 ASN : amide:sc= 0.497 K(o=1.4,f=-4.3!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 81:sc= 1.17 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.403 F(o=-1.5,f=-0.4) USER MOD Single : A 23 GLN : amide:sc= -0.793 K(o=-0.79,f=-3.6) USER MOD Single : A 27 SER OG : rot 180:sc= 0.143 USER MOD Single : A 34 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.124) USER MOD Single : A 35 TYR OH : rot -96:sc= 0.0913 USER MOD Single : A 40 LYS NZ :NH3+ 158:sc= 0.805 (180deg=0.378) USER MOD Single : A 42 LYS NZ :NH3+ -162:sc= 0.947 (180deg=0.39) USER MOD Single : A 44 THR OG1 : rot 74:sc= 0.513 USER MOD Single : A 56 HIS : no HD1:sc= -0.0815 X(o=-0.082,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.26) USER MOD Single : A 59 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.172) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0124) USER MOD Single : A 65 GLN :FLIP amide:sc= -1.37 F(o=-2.6,f=-1.4) USER MOD Single : A 66 LYS NZ :NH3+ 161:sc= 0.379 (180deg=0.21) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -152:sc= -0.204 (180deg=-1.69!) USER MOD Single : A 73 GLN : amide:sc= -0.745 X(o=-0.74,f=-0.61) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -132:sc= -0.48 (180deg=-2.44!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0.649 K(o=0.65,f=-0.79) USER MOD Single : A 84 MET CE :methyl 174:sc= -1.78 (180deg=-2.01) USER MOD Single : A 86 LYS NZ :NH3+ -146:sc= 0.525 (180deg=0.18) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot -56:sc= 1.23 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N GLU A 5 -11.004 -1.852 1.734 1.00 0.00 N ATOM 72 CA GLU A 5 -10.039 -1.774 2.865 1.00 0.00 C ATOM 73 C GLU A 5 -9.464 -0.358 3.030 1.00 0.00 C ATOM 74 O GLU A 5 -8.883 -0.048 4.049 1.00 0.00 O ATOM 75 CB GLU A 5 -8.854 -2.775 2.648 1.00 0.00 C ATOM 76 CG GLU A 5 -9.209 -4.285 2.647 1.00 0.00 C ATOM 77 CD GLU A 5 -10.214 -4.715 1.559 1.00 0.00 C ATOM 78 OE1 GLU A 5 -9.981 -4.419 0.360 1.00 0.00 O ATOM 79 OE2 GLU A 5 -11.254 -5.319 1.894 1.00 0.00 O ATOM 0 HA GLU A 5 -10.590 -2.036 3.768 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.377 -2.537 1.697 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.114 -2.600 3.428 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.291 -4.859 2.520 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -9.617 -4.548 3.623 1.00 0.00 H new ATOM 86 N LYS A 6 -9.557 0.425 1.948 1.00 0.00 N ATOM 87 CA LYS A 6 -9.238 1.883 1.996 1.00 0.00 C ATOM 88 C LYS A 6 -9.938 2.627 3.191 1.00 0.00 C ATOM 89 O LYS A 6 -9.404 3.617 3.713 1.00 0.00 O ATOM 90 CB LYS A 6 -9.534 2.543 0.607 1.00 0.00 C ATOM 91 CG LYS A 6 -10.834 2.089 -0.115 1.00 0.00 C ATOM 92 CD LYS A 6 -12.126 2.700 0.459 1.00 0.00 C ATOM 93 CE LYS A 6 -13.388 2.217 -0.278 1.00 0.00 C ATOM 94 NZ LYS A 6 -14.622 2.864 0.233 1.00 0.00 N ATOM 0 H LYS A 6 -9.847 0.090 1.029 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.171 1.986 2.196 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.580 3.623 0.746 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.690 2.342 -0.053 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.760 2.352 -1.170 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.905 1.003 -0.061 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.206 2.444 1.515 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.068 3.787 0.398 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.286 2.425 -1.343 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.477 1.136 -0.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -15.432 2.228 0.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.514 3.064 1.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -14.785 3.754 -0.280 1.00 0.00 H new ATOM 108 N ASN A 7 -11.083 2.078 3.648 1.00 0.00 N ATOM 109 CA ASN A 7 -11.784 2.554 4.869 1.00 0.00 C ATOM 110 C ASN A 7 -10.985 2.165 6.138 1.00 0.00 C ATOM 111 O ASN A 7 -10.795 2.979 7.047 1.00 0.00 O ATOM 112 CB ASN A 7 -13.208 1.923 4.934 1.00 0.00 C ATOM 113 CG ASN A 7 -14.237 2.599 4.026 1.00 0.00 C ATOM 114 OD1 ASN A 7 -13.903 3.212 3.018 1.00 0.00 O ATOM 115 ND2 ASN A 7 -15.506 2.478 4.372 1.00 0.00 N ATOM 0 H ASN A 7 -11.549 1.296 3.187 1.00 0.00 H new ATOM 0 HA ASN A 7 -11.866 3.640 4.825 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -13.139 0.869 4.664 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -13.565 1.965 5.963 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -16.234 2.900 3.796 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -15.758 1.963 5.216 1.00 0.00 H new ATOM 122 N GLU A 8 -10.533 0.904 6.149 1.00 0.00 N ATOM 123 CA GLU A 8 -9.716 0.312 7.239 1.00 0.00 C ATOM 124 C GLU A 8 -8.347 1.025 7.391 1.00 0.00 C ATOM 125 O GLU A 8 -7.940 1.371 8.512 1.00 0.00 O ATOM 126 CB GLU A 8 -9.518 -1.220 6.978 1.00 0.00 C ATOM 127 CG GLU A 8 -10.752 -2.119 7.247 1.00 0.00 C ATOM 128 CD GLU A 8 -12.068 -1.662 6.572 1.00 0.00 C ATOM 129 OE1 GLU A 8 -12.155 -1.691 5.333 1.00 0.00 O ATOM 130 OE2 GLU A 8 -13.021 -1.264 7.283 1.00 0.00 O ATOM 0 H GLU A 8 -10.723 0.248 5.392 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.253 0.452 8.177 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.214 -1.355 5.940 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.695 -1.571 7.600 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.523 -3.130 6.911 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.915 -2.170 8.324 1.00 0.00 H new ATOM 137 N ILE A 9 -7.635 1.225 6.264 1.00 0.00 N ATOM 138 CA ILE A 9 -6.343 1.936 6.249 1.00 0.00 C ATOM 139 C ILE A 9 -6.505 3.402 6.694 1.00 0.00 C ATOM 140 O ILE A 9 -5.674 3.904 7.455 1.00 0.00 O ATOM 141 CB ILE A 9 -5.655 1.848 4.831 1.00 0.00 C ATOM 142 CG1 ILE A 9 -5.466 0.351 4.386 1.00 0.00 C ATOM 143 CG2 ILE A 9 -4.298 2.601 4.811 1.00 0.00 C ATOM 144 CD1 ILE A 9 -4.566 -0.500 5.294 1.00 0.00 C ATOM 0 H ILE A 9 -7.937 0.901 5.345 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.690 1.440 6.967 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.318 2.335 4.116 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.447 -0.120 4.332 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.051 0.339 3.378 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.852 2.520 3.820 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.461 3.652 5.051 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.627 2.161 5.548 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.503 -1.513 4.897 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.568 -0.062 5.331 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.987 -0.529 6.299 1.00 0.00 H new ATOM 156 N LYS A 10 -7.581 4.077 6.237 1.00 0.00 N ATOM 157 CA LYS A 10 -7.896 5.456 6.691 1.00 0.00 C ATOM 158 C LYS A 10 -8.084 5.475 8.229 1.00 0.00 C ATOM 159 O LYS A 10 -7.626 6.387 8.899 1.00 0.00 O ATOM 160 CB LYS A 10 -9.155 6.010 5.937 1.00 0.00 C ATOM 161 CG LYS A 10 -9.551 7.492 6.249 1.00 0.00 C ATOM 162 CD LYS A 10 -10.428 7.663 7.522 1.00 0.00 C ATOM 163 CE LYS A 10 -10.589 9.134 7.956 1.00 0.00 C ATOM 164 NZ LYS A 10 -11.401 9.259 9.197 1.00 0.00 N ATOM 0 H LYS A 10 -8.243 3.697 5.560 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.062 6.115 6.449 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.979 5.921 4.865 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.005 5.371 6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.642 8.082 6.366 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.089 7.900 5.393 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.413 7.236 7.336 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.984 7.096 8.340 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.605 9.574 8.119 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.062 9.700 7.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.486 10.263 9.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.348 8.862 9.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.937 8.740 9.969 1.00 0.00 H new ATOM 178 N ARG A 11 -8.824 4.476 8.721 1.00 0.00 N ATOM 179 CA ARG A 11 -9.103 4.288 10.162 1.00 0.00 C ATOM 180 C ARG A 11 -7.814 4.268 11.020 1.00 0.00 C ATOM 181 O ARG A 11 -7.673 5.083 11.939 1.00 0.00 O ATOM 182 CB ARG A 11 -9.932 3.009 10.366 1.00 0.00 C ATOM 183 CG ARG A 11 -10.298 2.682 11.831 1.00 0.00 C ATOM 184 CD ARG A 11 -11.156 1.410 11.938 1.00 0.00 C ATOM 185 NE ARG A 11 -12.348 1.485 11.057 1.00 0.00 N ATOM 186 CZ ARG A 11 -12.644 0.624 10.071 1.00 0.00 C ATOM 187 NH1 ARG A 11 -11.899 -0.451 9.867 1.00 0.00 N ATOM 188 NH2 ARG A 11 -13.699 0.841 9.302 1.00 0.00 N ATOM 0 H ARG A 11 -9.254 3.764 8.130 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.680 5.147 10.506 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.853 3.098 9.791 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.377 2.167 9.951 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.385 2.554 12.413 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.839 3.522 12.266 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.556 0.541 11.668 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.474 1.269 12.971 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.997 2.256 11.214 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.091 -0.632 10.462 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.133 -1.099 9.115 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.285 1.661 9.459 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.926 0.188 8.552 1.00 0.00 H new ATOM 202 N LEU A 12 -6.887 3.335 10.728 1.00 0.00 N ATOM 203 CA LEU A 12 -5.624 3.210 11.503 1.00 0.00 C ATOM 204 C LEU A 12 -4.721 4.464 11.346 1.00 0.00 C ATOM 205 O LEU A 12 -4.030 4.855 12.293 1.00 0.00 O ATOM 206 CB LEU A 12 -4.884 1.881 11.131 1.00 0.00 C ATOM 207 CG LEU A 12 -4.511 1.663 9.615 1.00 0.00 C ATOM 208 CD1 LEU A 12 -3.098 2.198 9.259 1.00 0.00 C ATOM 209 CD2 LEU A 12 -4.668 0.187 9.191 1.00 0.00 C ATOM 0 H LEU A 12 -6.982 2.660 9.969 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.876 3.157 12.562 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.965 1.831 11.715 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.509 1.046 11.448 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.226 2.254 9.043 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.897 2.020 8.203 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.052 3.268 9.462 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.351 1.682 9.862 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.401 0.080 8.140 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.012 -0.437 9.797 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.702 -0.125 9.336 1.00 0.00 H new ATOM 221 N SER A 13 -4.683 5.015 10.115 1.00 0.00 N ATOM 222 CA SER A 13 -4.040 6.326 9.853 1.00 0.00 C ATOM 223 C SER A 13 -4.571 7.422 10.818 1.00 0.00 C ATOM 224 O SER A 13 -3.790 8.074 11.495 1.00 0.00 O ATOM 225 CB SER A 13 -4.251 6.739 8.378 1.00 0.00 C ATOM 226 OG SER A 13 -3.665 5.794 7.497 1.00 0.00 O ATOM 0 H SER A 13 -5.088 4.577 9.288 1.00 0.00 H new ATOM 0 HA SER A 13 -2.971 6.222 10.036 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.317 6.824 8.169 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.813 7.722 8.206 1.00 0.00 H new ATOM 0 HG SER A 13 -4.268 5.029 7.389 1.00 0.00 H new ATOM 232 N ASP A 14 -5.909 7.584 10.852 1.00 0.00 N ATOM 233 CA ASP A 14 -6.624 8.510 11.788 1.00 0.00 C ATOM 234 C ASP A 14 -6.281 8.223 13.272 1.00 0.00 C ATOM 235 O ASP A 14 -6.208 9.141 14.094 1.00 0.00 O ATOM 236 CB ASP A 14 -8.158 8.352 11.564 1.00 0.00 C ATOM 237 CG ASP A 14 -9.035 9.139 12.563 1.00 0.00 C ATOM 238 OD1 ASP A 14 -9.072 10.386 12.487 1.00 0.00 O ATOM 239 OD2 ASP A 14 -9.701 8.511 13.427 1.00 0.00 O ATOM 0 H ASP A 14 -6.539 7.077 10.230 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.302 9.529 11.575 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.400 8.678 10.552 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.415 7.295 11.629 1.00 0.00 H new ATOM 244 N ARG A 15 -6.072 6.928 13.558 1.00 0.00 N ATOM 245 CA ARG A 15 -5.768 6.455 14.923 1.00 0.00 C ATOM 246 C ARG A 15 -4.404 7.018 15.390 1.00 0.00 C ATOM 247 O ARG A 15 -4.321 7.763 16.380 1.00 0.00 O ATOM 248 CB ARG A 15 -5.776 4.900 14.999 1.00 0.00 C ATOM 249 CG ARG A 15 -5.659 4.342 16.433 1.00 0.00 C ATOM 250 CD ARG A 15 -6.848 4.761 17.309 1.00 0.00 C ATOM 251 NE ARG A 15 -6.624 4.463 18.732 1.00 0.00 N ATOM 252 CZ ARG A 15 -7.118 5.179 19.753 1.00 0.00 C ATOM 253 NH1 ARG A 15 -7.871 6.252 19.527 1.00 0.00 N ATOM 254 NH2 ARG A 15 -6.865 4.808 20.998 1.00 0.00 N ATOM 0 H ARG A 15 -6.108 6.185 12.860 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.548 6.821 15.591 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.697 4.529 14.550 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.951 4.513 14.401 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.601 3.254 16.396 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.732 4.695 16.886 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.028 5.829 17.187 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.746 4.246 16.969 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.050 3.651 18.959 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.078 6.537 18.570 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -8.242 6.789 20.311 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -6.296 3.981 21.178 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -7.239 5.350 21.777 1.00 0.00 H new ATOM 268 N LEU A 16 -3.367 6.691 14.606 1.00 0.00 N ATOM 269 CA LEU A 16 -1.979 7.093 14.910 1.00 0.00 C ATOM 270 C LEU A 16 -1.841 8.632 14.812 1.00 0.00 C ATOM 271 O LEU A 16 -1.141 9.236 15.621 1.00 0.00 O ATOM 272 CB LEU A 16 -0.989 6.337 13.955 1.00 0.00 C ATOM 273 CG LEU A 16 0.538 6.258 14.358 1.00 0.00 C ATOM 274 CD1 LEU A 16 1.296 7.584 14.131 1.00 0.00 C ATOM 275 CD2 LEU A 16 0.714 5.768 15.814 1.00 0.00 C ATOM 0 H LEU A 16 -3.461 6.145 13.749 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.723 6.813 15.932 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.354 5.317 13.840 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.049 6.810 12.975 1.00 0.00 H new ATOM 0 HG LEU A 16 0.986 5.524 13.688 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.338 7.463 14.427 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.248 7.855 13.076 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.838 8.372 14.729 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.776 5.725 16.058 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.213 6.458 16.493 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.278 4.775 15.919 1.00 0.00 H new ATOM 287 N ASP A 17 -2.497 9.234 13.801 1.00 0.00 N ATOM 288 CA ASP A 17 -2.536 10.708 13.608 1.00 0.00 C ATOM 289 C ASP A 17 -3.037 11.450 14.864 1.00 0.00 C ATOM 290 O ASP A 17 -2.347 12.335 15.384 1.00 0.00 O ATOM 291 CB ASP A 17 -3.438 11.053 12.401 1.00 0.00 C ATOM 292 CG ASP A 17 -3.585 12.562 12.150 1.00 0.00 C ATOM 293 OD1 ASP A 17 -2.625 13.175 11.654 1.00 0.00 O ATOM 294 OD2 ASP A 17 -4.652 13.140 12.453 1.00 0.00 O ATOM 0 H ASP A 17 -3.017 8.717 13.092 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.515 11.040 13.419 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.028 10.583 11.507 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -4.426 10.623 12.563 1.00 0.00 H new ATOM 299 N ALA A 18 -4.259 11.120 15.323 1.00 0.00 N ATOM 300 CA ALA A 18 -4.817 11.592 16.604 1.00 0.00 C ATOM 301 C ALA A 18 -3.871 11.350 17.799 1.00 0.00 C ATOM 302 O ALA A 18 -3.809 12.183 18.696 1.00 0.00 O ATOM 303 CB ALA A 18 -6.182 10.945 16.856 1.00 0.00 C ATOM 0 H ALA A 18 -4.894 10.510 14.808 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.937 12.672 16.520 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.584 11.301 17.805 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.865 11.211 16.050 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.070 9.861 16.894 1.00 0.00 H new ATOM 309 N ILE A 19 -3.122 10.231 17.784 1.00 0.00 N ATOM 310 CA ILE A 19 -2.189 9.904 18.894 1.00 0.00 C ATOM 311 C ILE A 19 -0.952 10.833 18.888 1.00 0.00 C ATOM 312 O ILE A 19 -0.596 11.367 19.943 1.00 0.00 O ATOM 313 CB ILE A 19 -1.787 8.378 18.921 1.00 0.00 C ATOM 314 CG1 ILE A 19 -3.039 7.527 19.320 1.00 0.00 C ATOM 315 CG2 ILE A 19 -0.585 8.090 19.873 1.00 0.00 C ATOM 316 CD1 ILE A 19 -2.796 6.046 19.497 1.00 0.00 C ATOM 0 H ILE A 19 -3.139 9.544 17.031 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.729 10.089 19.823 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.453 8.097 17.922 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.443 7.924 20.251 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.805 7.662 18.557 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.351 7.026 19.852 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.285 8.659 19.543 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.847 8.384 20.889 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.729 5.555 19.772 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.425 5.624 18.563 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.058 5.890 20.284 1.00 0.00 H new ATOM 328 N ARG A 20 -0.289 11.025 17.725 1.00 0.00 N ATOM 329 CA ARG A 20 0.865 11.933 17.598 1.00 0.00 C ATOM 330 C ARG A 20 0.483 13.396 17.913 1.00 0.00 C ATOM 331 O ARG A 20 1.274 14.113 18.530 1.00 0.00 O ATOM 332 CB ARG A 20 1.572 11.770 16.205 1.00 0.00 C ATOM 333 CG ARG A 20 0.745 12.141 14.935 1.00 0.00 C ATOM 334 CD ARG A 20 0.735 13.651 14.618 1.00 0.00 C ATOM 335 NE ARG A 20 -0.106 14.017 13.461 1.00 0.00 N ATOM 336 CZ ARG A 20 -0.245 15.276 12.989 1.00 0.00 C ATOM 337 NH1 ARG A 20 0.411 16.287 13.541 1.00 0.00 N ATOM 338 NH2 ARG A 20 -1.040 15.513 11.955 1.00 0.00 N ATOM 0 H ARG A 20 -0.540 10.556 16.855 1.00 0.00 H new ATOM 0 HA ARG A 20 1.598 11.646 18.352 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.474 12.382 16.211 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.891 10.732 16.108 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.150 11.602 14.079 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.282 11.801 15.069 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.383 14.194 15.496 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.757 13.979 14.429 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.615 13.271 12.987 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.031 16.121 14.333 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.296 17.231 13.173 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.547 14.745 11.515 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.144 16.463 11.599 1.00 0.00 H new ATOM 352 N HIS A 21 -0.737 13.838 17.515 1.00 0.00 N ATOM 353 CA HIS A 21 -1.274 15.175 17.843 1.00 0.00 C ATOM 354 C HIS A 21 -1.474 15.320 19.348 1.00 0.00 C ATOM 355 O HIS A 21 -1.059 16.296 19.941 1.00 0.00 O ATOM 356 CB HIS A 21 -2.626 15.373 17.106 1.00 0.00 C ATOM 357 CG HIS A 21 -3.274 16.722 17.312 1.00 0.00 C ATOM 358 ND1 HIS A 21 -4.596 16.870 17.682 1.00 0.00 N ATOM 359 CD2 HIS A 21 -2.785 17.982 17.190 1.00 0.00 C ATOM 360 CE1 HIS A 21 -4.885 18.152 17.782 1.00 0.00 C ATOM 361 NE2 HIS A 21 -3.802 18.847 17.490 1.00 0.00 N ATOM 0 H HIS A 21 -1.375 13.272 16.956 1.00 0.00 H new ATOM 0 HA HIS A 21 -0.563 15.935 17.520 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -2.466 15.223 16.038 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -3.319 14.599 17.436 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -1.778 18.252 16.908 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -5.845 18.564 18.056 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -3.734 19.865 17.488 1.00 0.00 H new ATOM 370 N GLN A 22 -2.103 14.299 19.918 1.00 0.00 N ATOM 371 CA GLN A 22 -2.336 14.147 21.372 1.00 0.00 C ATOM 372 C GLN A 22 -1.026 14.313 22.175 1.00 0.00 C ATOM 373 O GLN A 22 -1.003 14.946 23.232 1.00 0.00 O ATOM 374 CB GLN A 22 -2.974 12.751 21.601 1.00 0.00 C ATOM 375 CG GLN A 22 -2.776 12.096 22.977 1.00 0.00 C ATOM 376 CD GLN A 22 -3.129 10.615 22.944 1.00 0.00 C ATOM 377 OE1 GLN A 22 -2.172 9.787 22.524 1.00 0.00 O flip ATOM 378 NE2 GLN A 22 -4.255 10.219 23.236 1.00 0.00 N flip ATOM 0 H GLN A 22 -2.482 13.523 19.375 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.008 14.927 21.729 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.046 12.838 21.421 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.578 12.072 20.846 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.740 12.218 23.294 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -3.397 12.603 23.716 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.962 10.882 23.554 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -4.482 9.228 23.161 1.00 0.00 H new ATOM 387 N GLN A 23 0.055 13.737 21.640 1.00 0.00 N ATOM 388 CA GLN A 23 1.392 13.820 22.250 1.00 0.00 C ATOM 389 C GLN A 23 2.093 15.153 21.936 1.00 0.00 C ATOM 390 O GLN A 23 3.051 15.507 22.618 1.00 0.00 O ATOM 391 CB GLN A 23 2.236 12.620 21.778 1.00 0.00 C ATOM 392 CG GLN A 23 1.664 11.269 22.224 1.00 0.00 C ATOM 393 CD GLN A 23 2.484 10.087 21.733 1.00 0.00 C ATOM 394 OE1 GLN A 23 2.234 9.550 20.659 1.00 0.00 O ATOM 395 NE2 GLN A 23 3.476 9.680 22.518 1.00 0.00 N ATOM 0 H GLN A 23 0.031 13.200 20.773 1.00 0.00 H new ATOM 0 HA GLN A 23 1.281 13.783 23.334 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.305 12.637 20.690 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.250 12.723 22.163 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.614 11.243 23.313 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.642 11.174 21.856 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.652 10.153 23.404 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.061 8.894 22.234 1.00 0.00 H new ATOM 404 N ALA A 24 1.656 15.844 20.863 1.00 0.00 N ATOM 405 CA ALA A 24 2.041 17.253 20.592 1.00 0.00 C ATOM 406 C ALA A 24 1.210 18.225 21.464 1.00 0.00 C ATOM 407 O ALA A 24 1.621 19.364 21.700 1.00 0.00 O ATOM 408 CB ALA A 24 1.877 17.574 19.092 1.00 0.00 C ATOM 0 H ALA A 24 1.030 15.448 20.162 1.00 0.00 H new ATOM 0 HA ALA A 24 3.091 17.384 20.855 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.163 18.610 18.908 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.515 16.912 18.506 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.837 17.427 18.800 1.00 0.00 H new ATOM 414 N ASP A 25 0.051 17.739 21.958 1.00 0.00 N ATOM 415 CA ASP A 25 -0.789 18.494 22.914 1.00 0.00 C ATOM 416 C ASP A 25 -0.192 18.312 24.318 1.00 0.00 C ATOM 417 O ASP A 25 -0.336 19.167 25.191 1.00 0.00 O ATOM 418 CB ASP A 25 -2.269 18.015 22.888 1.00 0.00 C ATOM 419 CG ASP A 25 -3.080 18.585 21.712 1.00 0.00 C ATOM 420 OD1 ASP A 25 -3.595 19.713 21.839 1.00 0.00 O ATOM 421 OD2 ASP A 25 -3.196 17.919 20.658 1.00 0.00 O ATOM 0 H ASP A 25 -0.326 16.824 21.710 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.795 19.547 22.632 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.289 16.926 22.838 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.751 18.300 23.823 1.00 0.00 H new ATOM 426 N LEU A 26 0.475 17.158 24.495 1.00 0.00 N ATOM 427 CA LEU A 26 1.299 16.907 25.689 1.00 0.00 C ATOM 428 C LEU A 26 2.763 17.267 25.393 1.00 0.00 C ATOM 429 O LEU A 26 3.136 17.573 24.260 1.00 0.00 O ATOM 430 CB LEU A 26 1.207 15.427 26.171 1.00 0.00 C ATOM 431 CG LEU A 26 -0.217 14.871 26.543 1.00 0.00 C ATOM 432 CD1 LEU A 26 -0.101 13.576 27.379 1.00 0.00 C ATOM 433 CD2 LEU A 26 -1.086 15.914 27.280 1.00 0.00 C ATOM 0 H LEU A 26 0.459 16.387 23.828 1.00 0.00 H new ATOM 0 HA LEU A 26 0.913 17.536 26.491 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.622 14.792 25.388 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.850 15.317 27.045 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.719 14.642 25.603 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.098 13.211 27.624 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.432 12.818 26.804 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.445 13.785 28.299 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.058 15.479 27.513 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.591 16.212 28.204 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.223 16.788 26.643 1.00 0.00 H new ATOM 445 N SER A 27 3.554 17.303 26.457 1.00 0.00 N ATOM 446 CA SER A 27 5.016 17.385 26.359 1.00 0.00 C ATOM 447 C SER A 27 5.644 16.400 27.346 1.00 0.00 C ATOM 448 O SER A 27 5.006 16.002 28.331 1.00 0.00 O ATOM 449 CB SER A 27 5.515 18.827 26.620 1.00 0.00 C ATOM 450 OG SER A 27 6.933 18.916 26.611 1.00 0.00 O ATOM 0 H SER A 27 3.206 17.276 27.415 1.00 0.00 H new ATOM 0 HA SER A 27 5.319 17.119 25.346 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.106 19.494 25.861 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.138 19.171 27.583 1.00 0.00 H new ATOM 0 HG SER A 27 7.204 19.843 26.778 1.00 0.00 H new ATOM 456 N LEU A 28 6.885 15.991 27.051 1.00 0.00 N ATOM 457 CA LEU A 28 7.716 15.185 27.964 1.00 0.00 C ATOM 458 C LEU A 28 8.079 15.978 29.243 1.00 0.00 C ATOM 459 O LEU A 28 8.447 15.391 30.256 1.00 0.00 O ATOM 460 CB LEU A 28 8.981 14.604 27.218 1.00 0.00 C ATOM 461 CG LEU A 28 10.205 15.536 26.853 1.00 0.00 C ATOM 462 CD1 LEU A 28 9.789 16.870 26.201 1.00 0.00 C ATOM 463 CD2 LEU A 28 11.149 15.745 28.052 1.00 0.00 C ATOM 0 H LEU A 28 7.346 16.210 26.168 1.00 0.00 H new ATOM 0 HA LEU A 28 7.130 14.327 28.294 1.00 0.00 H new ATOM 0 HB2 LEU A 28 9.369 13.791 27.832 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.628 14.160 26.287 1.00 0.00 H new ATOM 0 HG LEU A 28 10.767 15.000 26.088 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.679 17.459 25.977 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.245 16.670 25.278 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.149 17.426 26.886 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.975 16.391 27.756 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.600 16.210 28.871 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.541 14.782 28.379 1.00 0.00 H new ATOM 475 N VAL A 29 7.989 17.317 29.181 1.00 0.00 N ATOM 476 CA VAL A 29 8.250 18.185 30.346 1.00 0.00 C ATOM 477 C VAL A 29 7.002 18.255 31.248 1.00 0.00 C ATOM 478 O VAL A 29 7.102 18.105 32.464 1.00 0.00 O ATOM 479 CB VAL A 29 8.675 19.640 29.912 1.00 0.00 C ATOM 480 CG1 VAL A 29 9.072 20.508 31.135 1.00 0.00 C ATOM 481 CG2 VAL A 29 9.814 19.598 28.869 1.00 0.00 C ATOM 0 H VAL A 29 7.737 17.825 28.334 1.00 0.00 H new ATOM 0 HA VAL A 29 9.079 17.745 30.900 1.00 0.00 H new ATOM 0 HB VAL A 29 7.808 20.108 29.446 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.359 21.504 30.797 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.225 20.586 31.816 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.912 20.045 31.653 1.00 0.00 H new ATOM 0 HG21 VAL A 29 10.087 20.615 28.587 1.00 0.00 H new ATOM 0 HG22 VAL A 29 10.681 19.095 29.297 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.479 19.055 27.986 1.00 0.00 H new ATOM 491 N GLU A 30 5.821 18.446 30.628 1.00 0.00 N ATOM 492 CA GLU A 30 4.584 18.781 31.384 1.00 0.00 C ATOM 493 C GLU A 30 3.798 17.527 31.817 1.00 0.00 C ATOM 494 O GLU A 30 3.155 17.533 32.869 1.00 0.00 O ATOM 495 CB GLU A 30 3.665 19.731 30.553 1.00 0.00 C ATOM 496 CG GLU A 30 3.010 19.080 29.316 1.00 0.00 C ATOM 497 CD GLU A 30 2.173 20.050 28.468 1.00 0.00 C ATOM 498 OE1 GLU A 30 1.003 20.304 28.819 1.00 0.00 O ATOM 499 OE2 GLU A 30 2.685 20.569 27.453 1.00 0.00 O ATOM 0 H GLU A 30 5.691 18.377 29.619 1.00 0.00 H new ATOM 0 HA GLU A 30 4.903 19.294 32.291 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.879 20.114 31.204 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.253 20.588 30.226 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.790 18.647 28.690 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.373 18.259 29.645 1.00 0.00 H new ATOM 506 N ALA A 31 3.876 16.452 31.015 1.00 0.00 N ATOM 507 CA ALA A 31 2.951 15.308 31.134 1.00 0.00 C ATOM 508 C ALA A 31 3.637 13.980 30.807 1.00 0.00 C ATOM 509 O ALA A 31 3.054 13.157 30.127 1.00 0.00 O ATOM 510 CB ALA A 31 1.738 15.543 30.210 1.00 0.00 C ATOM 0 H ALA A 31 4.571 16.350 30.275 1.00 0.00 H new ATOM 0 HA ALA A 31 2.616 15.239 32.169 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.050 14.702 30.292 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.228 16.460 30.506 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.079 15.634 29.179 1.00 0.00 H new ATOM 516 N ALA A 32 4.808 13.729 31.408 1.00 0.00 N ATOM 517 CA ALA A 32 5.612 12.508 31.155 1.00 0.00 C ATOM 518 C ALA A 32 5.360 11.566 32.319 1.00 0.00 C ATOM 519 O ALA A 32 5.569 11.971 33.471 1.00 0.00 O ATOM 520 CB ALA A 32 7.097 12.821 31.028 1.00 0.00 C ATOM 0 H ALA A 32 5.232 14.363 32.086 1.00 0.00 H new ATOM 0 HA ALA A 32 5.316 12.056 30.209 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.649 11.899 30.843 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.254 13.510 30.198 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.453 13.278 31.951 1.00 0.00 H new ATOM 526 N ASP A 33 5.007 10.309 32.030 1.00 0.00 N ATOM 527 CA ASP A 33 4.208 9.361 32.798 1.00 0.00 C ATOM 528 C ASP A 33 3.101 8.971 31.807 1.00 0.00 C ATOM 529 O ASP A 33 3.213 7.969 31.115 1.00 0.00 O ATOM 530 CB ASP A 33 3.617 9.882 34.146 1.00 0.00 C ATOM 531 CG ASP A 33 2.777 8.833 34.890 1.00 0.00 C ATOM 532 OD1 ASP A 33 3.361 7.982 35.590 1.00 0.00 O ATOM 533 OD2 ASP A 33 1.532 8.838 34.757 1.00 0.00 O ATOM 0 H ASP A 33 5.311 9.889 31.152 1.00 0.00 H new ATOM 0 HA ASP A 33 4.831 8.537 33.146 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.434 10.207 34.791 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.999 10.758 33.949 1.00 0.00 H new ATOM 538 N LYS A 34 2.063 9.819 31.734 1.00 0.00 N ATOM 539 CA LYS A 34 1.050 9.789 30.643 1.00 0.00 C ATOM 540 C LYS A 34 1.720 9.768 29.236 1.00 0.00 C ATOM 541 O LYS A 34 1.414 8.899 28.426 1.00 0.00 O ATOM 542 CB LYS A 34 0.082 11.014 30.789 1.00 0.00 C ATOM 543 CG LYS A 34 -1.410 10.753 30.444 1.00 0.00 C ATOM 544 CD LYS A 34 -1.637 10.291 28.990 1.00 0.00 C ATOM 545 CE LYS A 34 -3.116 10.077 28.647 1.00 0.00 C ATOM 546 NZ LYS A 34 -3.902 11.326 28.788 1.00 0.00 N ATOM 0 H LYS A 34 1.894 10.549 32.426 1.00 0.00 H new ATOM 0 HA LYS A 34 0.474 8.868 30.733 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.138 11.375 31.816 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.446 11.817 30.149 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.804 9.996 31.122 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.980 11.666 30.619 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.217 11.033 28.310 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.094 9.361 28.822 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.202 9.707 27.625 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.533 9.310 29.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.857 11.180 28.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.968 11.583 29.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.432 12.093 28.265 1.00 0.00 H new ATOM 560 N TYR A 35 2.669 10.698 29.010 1.00 0.00 N ATOM 561 CA TYR A 35 3.399 10.819 27.715 1.00 0.00 C ATOM 562 C TYR A 35 4.229 9.554 27.465 1.00 0.00 C ATOM 563 O TYR A 35 4.364 9.122 26.329 1.00 0.00 O ATOM 564 CB TYR A 35 4.330 12.068 27.681 1.00 0.00 C ATOM 565 CG TYR A 35 5.069 12.297 26.352 1.00 0.00 C ATOM 566 CD1 TYR A 35 4.397 12.834 25.255 1.00 0.00 C ATOM 567 CD2 TYR A 35 6.420 11.965 26.188 1.00 0.00 C ATOM 568 CE1 TYR A 35 5.039 13.031 24.057 1.00 0.00 C ATOM 569 CE2 TYR A 35 7.062 12.159 24.982 1.00 0.00 C ATOM 570 CZ TYR A 35 6.363 12.690 23.921 1.00 0.00 C ATOM 571 OH TYR A 35 6.991 12.871 22.708 1.00 0.00 O ATOM 0 H TYR A 35 2.955 11.385 29.708 1.00 0.00 H new ATOM 0 HA TYR A 35 2.653 10.939 26.930 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.733 12.952 27.904 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.068 11.973 28.477 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.354 13.099 25.349 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.969 11.550 27.020 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.502 13.454 23.221 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.104 11.897 24.871 1.00 0.00 H new ATOM 0 HH TYR A 35 6.973 12.032 22.202 1.00 0.00 H new ATOM 581 N ALA A 36 4.770 8.988 28.565 1.00 0.00 N ATOM 582 CA ALA A 36 5.602 7.774 28.516 1.00 0.00 C ATOM 583 C ALA A 36 4.795 6.587 27.973 1.00 0.00 C ATOM 584 O ALA A 36 5.248 5.881 27.059 1.00 0.00 O ATOM 585 CB ALA A 36 6.186 7.461 29.901 1.00 0.00 C ATOM 0 H ALA A 36 4.641 9.360 29.506 1.00 0.00 H new ATOM 0 HA ALA A 36 6.434 7.953 27.835 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.797 6.560 29.843 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.802 8.297 30.234 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.374 7.303 30.611 1.00 0.00 H new ATOM 591 N GLU A 37 3.585 6.373 28.520 1.00 0.00 N ATOM 592 CA GLU A 37 2.648 5.342 28.062 1.00 0.00 C ATOM 593 C GLU A 37 2.224 5.599 26.616 1.00 0.00 C ATOM 594 O GLU A 37 2.230 4.703 25.822 1.00 0.00 O ATOM 595 CB GLU A 37 1.397 5.276 28.989 1.00 0.00 C ATOM 596 CG GLU A 37 1.698 5.319 30.507 1.00 0.00 C ATOM 597 CD GLU A 37 2.799 4.338 30.965 1.00 0.00 C ATOM 598 OE1 GLU A 37 2.503 3.147 31.160 1.00 0.00 O ATOM 599 OE2 GLU A 37 3.970 4.756 31.127 1.00 0.00 O ATOM 0 H GLU A 37 3.229 6.921 29.303 1.00 0.00 H new ATOM 0 HA GLU A 37 3.160 4.381 28.107 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.737 6.108 28.742 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.850 4.359 28.769 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.995 6.332 30.778 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.781 5.099 31.054 1.00 0.00 H new ATOM 606 N LEU A 38 1.845 6.845 26.333 1.00 0.00 N ATOM 607 CA LEU A 38 1.465 7.266 24.960 1.00 0.00 C ATOM 608 C LEU A 38 2.564 6.930 23.918 1.00 0.00 C ATOM 609 O LEU A 38 2.250 6.586 22.778 1.00 0.00 O ATOM 610 CB LEU A 38 1.112 8.762 24.906 1.00 0.00 C ATOM 611 CG LEU A 38 -0.154 9.191 25.701 1.00 0.00 C ATOM 612 CD1 LEU A 38 -0.466 10.677 25.467 1.00 0.00 C ATOM 613 CD2 LEU A 38 -1.378 8.296 25.387 1.00 0.00 C ATOM 0 H LEU A 38 1.789 7.590 27.028 1.00 0.00 H new ATOM 0 HA LEU A 38 0.575 6.694 24.697 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.963 9.330 25.282 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.975 9.046 23.862 1.00 0.00 H new ATOM 0 HG LEU A 38 0.065 9.052 26.760 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.355 10.956 26.032 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.378 11.282 25.797 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.643 10.849 24.405 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.236 8.636 25.967 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.611 8.358 24.324 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.150 7.263 25.649 1.00 0.00 H new ATOM 625 N GLU A 39 3.839 7.091 24.321 1.00 0.00 N ATOM 626 CA GLU A 39 5.012 6.619 23.550 1.00 0.00 C ATOM 627 C GLU A 39 4.979 5.088 23.330 1.00 0.00 C ATOM 628 O GLU A 39 5.307 4.618 22.242 1.00 0.00 O ATOM 629 CB GLU A 39 6.336 7.021 24.258 1.00 0.00 C ATOM 630 CG GLU A 39 6.675 8.526 24.221 1.00 0.00 C ATOM 631 CD GLU A 39 7.006 9.044 22.813 1.00 0.00 C ATOM 632 OE1 GLU A 39 8.026 8.606 22.240 1.00 0.00 O ATOM 633 OE2 GLU A 39 6.281 9.906 22.280 1.00 0.00 O ATOM 0 H GLU A 39 4.089 7.554 25.195 1.00 0.00 H new ATOM 0 HA GLU A 39 4.967 7.102 22.574 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.282 6.703 25.299 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.156 6.470 23.798 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.831 9.090 24.618 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.524 8.716 24.878 1.00 0.00 H new ATOM 640 N LYS A 40 4.612 4.326 24.380 1.00 0.00 N ATOM 641 CA LYS A 40 4.515 2.840 24.323 1.00 0.00 C ATOM 642 C LYS A 40 3.333 2.361 23.424 1.00 0.00 C ATOM 643 O LYS A 40 3.500 1.471 22.596 1.00 0.00 O ATOM 644 CB LYS A 40 4.360 2.275 25.763 1.00 0.00 C ATOM 645 CG LYS A 40 5.490 2.699 26.730 1.00 0.00 C ATOM 646 CD LYS A 40 5.191 2.331 28.201 1.00 0.00 C ATOM 647 CE LYS A 40 6.236 2.903 29.177 1.00 0.00 C ATOM 648 NZ LYS A 40 5.894 2.614 30.591 1.00 0.00 N ATOM 0 H LYS A 40 4.374 4.715 25.292 1.00 0.00 H new ATOM 0 HA LYS A 40 5.433 2.461 23.873 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.404 2.604 26.171 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.327 1.187 25.714 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.421 2.223 26.424 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.642 3.776 26.654 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.203 2.704 28.472 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.160 1.246 28.302 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.215 2.482 28.948 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.312 3.981 29.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.753 2.668 31.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.201 3.311 30.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.487 1.659 30.662 1.00 0.00 H new ATOM 662 N GLU A 41 2.132 2.913 23.684 1.00 0.00 N ATOM 663 CA GLU A 41 0.907 2.676 22.872 1.00 0.00 C ATOM 664 C GLU A 41 1.156 2.970 21.377 1.00 0.00 C ATOM 665 O GLU A 41 0.740 2.207 20.496 1.00 0.00 O ATOM 666 CB GLU A 41 -0.284 3.551 23.381 1.00 0.00 C ATOM 667 CG GLU A 41 -0.527 3.567 24.915 1.00 0.00 C ATOM 668 CD GLU A 41 -0.325 2.208 25.611 1.00 0.00 C ATOM 669 OE1 GLU A 41 -1.211 1.338 25.531 1.00 0.00 O ATOM 670 OE2 GLU A 41 0.734 2.005 26.242 1.00 0.00 O ATOM 0 H GLU A 41 1.976 3.544 24.470 1.00 0.00 H new ATOM 0 HA GLU A 41 0.650 1.623 22.985 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.119 4.577 23.051 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.195 3.203 22.895 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.145 4.296 25.368 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.544 3.910 25.105 1.00 0.00 H new ATOM 677 N LYS A 42 1.831 4.102 21.139 1.00 0.00 N ATOM 678 CA LYS A 42 2.306 4.500 19.805 1.00 0.00 C ATOM 679 C LYS A 42 3.259 3.421 19.249 1.00 0.00 C ATOM 680 O LYS A 42 3.062 2.947 18.146 1.00 0.00 O ATOM 681 CB LYS A 42 3.046 5.860 19.859 1.00 0.00 C ATOM 682 CG LYS A 42 3.552 6.383 18.479 1.00 0.00 C ATOM 683 CD LYS A 42 4.910 7.115 18.566 1.00 0.00 C ATOM 684 CE LYS A 42 4.890 8.330 19.492 1.00 0.00 C ATOM 685 NZ LYS A 42 6.227 8.957 19.610 1.00 0.00 N ATOM 0 H LYS A 42 2.065 4.773 21.871 1.00 0.00 H new ATOM 0 HA LYS A 42 1.439 4.603 19.152 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.378 6.605 20.291 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.899 5.768 20.532 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.643 5.543 17.791 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.808 7.060 18.059 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.669 6.415 18.915 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.206 7.435 17.567 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.177 9.063 19.114 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.542 8.028 20.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.252 9.565 20.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.952 8.216 19.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.417 9.530 18.764 1.00 0.00 H new ATOM 699 N ALA A 43 4.267 3.041 20.066 1.00 0.00 N ATOM 700 CA ALA A 43 5.304 2.036 19.715 1.00 0.00 C ATOM 701 C ALA A 43 4.689 0.698 19.258 1.00 0.00 C ATOM 702 O ALA A 43 5.116 0.131 18.249 1.00 0.00 O ATOM 703 CB ALA A 43 6.270 1.809 20.894 1.00 0.00 C ATOM 0 H ALA A 43 4.387 3.428 21.002 1.00 0.00 H new ATOM 0 HA ALA A 43 5.865 2.441 18.873 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.020 1.069 20.613 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.763 2.748 21.146 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.711 1.449 21.758 1.00 0.00 H new ATOM 709 N THR A 44 3.665 0.208 19.982 1.00 0.00 N ATOM 710 CA THR A 44 2.908 -1.010 19.690 1.00 0.00 C ATOM 711 C THR A 44 2.091 -0.856 18.403 1.00 0.00 C ATOM 712 O THR A 44 2.023 -1.783 17.606 1.00 0.00 O ATOM 713 CB THR A 44 1.960 -1.338 20.896 1.00 0.00 C ATOM 714 OG1 THR A 44 2.722 -1.362 22.116 1.00 0.00 O ATOM 715 CG2 THR A 44 1.226 -2.684 20.720 1.00 0.00 C ATOM 0 H THR A 44 3.333 0.677 20.824 1.00 0.00 H new ATOM 0 HA THR A 44 3.611 -1.830 19.545 1.00 0.00 H new ATOM 0 HB THR A 44 1.202 -0.556 20.936 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.947 -0.445 22.379 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.583 -2.863 21.582 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.619 -2.652 19.815 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.957 -3.489 20.639 1.00 0.00 H new ATOM 723 N LEU A 45 1.435 0.313 18.270 1.00 0.00 N ATOM 724 CA LEU A 45 0.766 0.652 16.996 1.00 0.00 C ATOM 725 C LEU A 45 1.751 0.529 15.821 1.00 0.00 C ATOM 726 O LEU A 45 1.457 -0.163 14.868 1.00 0.00 O ATOM 727 CB LEU A 45 0.084 2.046 16.984 1.00 0.00 C ATOM 728 CG LEU A 45 -1.397 2.098 17.479 1.00 0.00 C ATOM 729 CD1 LEU A 45 -1.991 3.499 17.283 1.00 0.00 C ATOM 730 CD2 LEU A 45 -2.277 1.032 16.781 1.00 0.00 C ATOM 0 H LEU A 45 1.354 1.019 19.002 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.039 -0.074 16.885 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.675 2.721 17.603 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.118 2.434 15.966 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.388 1.870 18.545 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.023 3.509 17.635 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.407 4.224 17.849 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.966 3.760 16.225 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.299 1.103 17.154 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.271 1.203 15.705 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.882 0.039 16.992 1.00 0.00 H new ATOM 742 N GLU A 46 2.928 1.161 15.921 1.00 0.00 N ATOM 743 CA GLU A 46 3.985 1.138 14.905 1.00 0.00 C ATOM 744 C GLU A 46 4.561 -0.269 14.693 1.00 0.00 C ATOM 745 O GLU A 46 4.959 -0.599 13.577 1.00 0.00 O ATOM 746 CB GLU A 46 5.108 2.118 15.299 1.00 0.00 C ATOM 747 CG GLU A 46 4.632 3.566 15.467 1.00 0.00 C ATOM 748 CD GLU A 46 5.773 4.537 15.793 1.00 0.00 C ATOM 749 OE1 GLU A 46 6.292 4.494 16.929 1.00 0.00 O ATOM 750 OE2 GLU A 46 6.175 5.331 14.909 1.00 0.00 O ATOM 0 H GLU A 46 3.177 1.719 16.737 1.00 0.00 H new ATOM 0 HA GLU A 46 3.539 1.447 13.960 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.560 1.783 16.233 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.888 2.087 14.538 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.138 3.889 14.551 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.888 3.608 16.262 1.00 0.00 H new ATOM 757 N ALA A 47 4.524 -1.119 15.741 1.00 0.00 N ATOM 758 CA ALA A 47 5.111 -2.472 15.729 1.00 0.00 C ATOM 759 C ALA A 47 4.171 -3.420 14.987 1.00 0.00 C ATOM 760 O ALA A 47 4.603 -4.207 14.147 1.00 0.00 O ATOM 761 CB ALA A 47 5.362 -2.962 17.167 1.00 0.00 C ATOM 0 H ALA A 47 4.080 -0.881 16.628 1.00 0.00 H new ATOM 0 HA ALA A 47 6.071 -2.448 15.214 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.795 -3.962 17.140 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.050 -2.282 17.668 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.418 -2.990 17.712 1.00 0.00 H new ATOM 767 N GLU A 48 2.884 -3.329 15.346 1.00 0.00 N ATOM 768 CA GLU A 48 1.729 -3.967 14.714 1.00 0.00 C ATOM 769 C GLU A 48 1.650 -3.620 13.222 1.00 0.00 C ATOM 770 O GLU A 48 1.776 -4.484 12.376 1.00 0.00 O ATOM 771 CB GLU A 48 0.446 -3.449 15.439 1.00 0.00 C ATOM 772 CG GLU A 48 -0.888 -4.028 14.945 1.00 0.00 C ATOM 773 CD GLU A 48 -1.176 -5.439 15.500 1.00 0.00 C ATOM 774 OE1 GLU A 48 -0.784 -6.441 14.870 1.00 0.00 O ATOM 775 OE2 GLU A 48 -1.775 -5.544 16.585 1.00 0.00 O ATOM 0 H GLU A 48 2.605 -2.763 16.148 1.00 0.00 H new ATOM 0 HA GLU A 48 1.820 -5.050 14.797 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.542 -3.666 16.503 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.408 -2.364 15.337 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.698 -3.358 15.234 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.880 -4.067 13.856 1.00 0.00 H new ATOM 782 N ILE A 49 1.439 -2.322 12.976 1.00 0.00 N ATOM 783 CA ILE A 49 1.154 -1.841 11.612 1.00 0.00 C ATOM 784 C ILE A 49 2.323 -2.182 10.661 1.00 0.00 C ATOM 785 O ILE A 49 2.074 -2.670 9.550 1.00 0.00 O ATOM 786 CB ILE A 49 0.743 -0.321 11.511 1.00 0.00 C ATOM 787 CG1 ILE A 49 1.937 0.637 11.824 1.00 0.00 C ATOM 788 CG2 ILE A 49 -0.490 -0.027 12.412 1.00 0.00 C ATOM 789 CD1 ILE A 49 1.595 2.116 11.861 1.00 0.00 C ATOM 0 H ILE A 49 1.459 -1.593 13.689 1.00 0.00 H new ATOM 0 HA ILE A 49 0.262 -2.380 11.294 1.00 0.00 H new ATOM 0 HB ILE A 49 0.459 -0.124 10.477 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.363 0.356 12.787 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.713 0.480 11.074 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.758 1.026 12.329 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.330 -0.642 12.091 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.246 -0.259 13.449 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.493 2.692 12.086 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.201 2.423 10.892 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.846 2.297 12.632 1.00 0.00 H new ATOM 801 N ALA A 50 3.601 -1.964 11.074 1.00 0.00 N ATOM 802 CA ALA A 50 4.792 -2.394 10.337 1.00 0.00 C ATOM 803 C ALA A 50 4.912 -3.919 10.208 1.00 0.00 C ATOM 804 O ALA A 50 5.426 -4.378 9.205 1.00 0.00 O ATOM 805 CB ALA A 50 6.048 -1.813 10.995 1.00 0.00 C ATOM 0 H ALA A 50 3.822 -1.477 11.942 1.00 0.00 H new ATOM 0 HA ALA A 50 4.690 -2.010 9.322 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.931 -2.136 10.443 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.993 -0.724 10.986 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.115 -2.165 12.024 1.00 0.00 H new ATOM 811 N ARG A 51 4.489 -4.691 11.236 1.00 0.00 N ATOM 812 CA ARG A 51 4.458 -6.179 11.185 1.00 0.00 C ATOM 813 C ARG A 51 3.523 -6.651 10.062 1.00 0.00 C ATOM 814 O ARG A 51 3.920 -7.432 9.214 1.00 0.00 O ATOM 815 CB ARG A 51 4.003 -6.794 12.547 1.00 0.00 C ATOM 816 CG ARG A 51 4.238 -8.318 12.680 1.00 0.00 C ATOM 817 CD ARG A 51 5.735 -8.665 12.697 1.00 0.00 C ATOM 818 NE ARG A 51 5.998 -10.111 12.799 1.00 0.00 N ATOM 819 CZ ARG A 51 7.214 -10.676 12.693 1.00 0.00 C ATOM 820 NH1 ARG A 51 8.294 -9.944 12.432 1.00 0.00 N ATOM 821 NH2 ARG A 51 7.345 -11.983 12.831 1.00 0.00 N ATOM 0 H ARG A 51 4.160 -4.306 12.122 1.00 0.00 H new ATOM 0 HA ARG A 51 5.472 -6.523 10.983 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.532 -6.287 13.354 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.941 -6.591 12.685 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.771 -8.679 13.596 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.755 -8.834 11.851 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.200 -8.282 11.789 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.209 -8.157 13.537 1.00 0.00 H new ATOM 0 HE ARG A 51 5.202 -10.727 12.961 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.209 -8.935 12.308 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.207 -10.392 12.356 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.525 -12.561 13.017 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.266 -12.415 12.751 1.00 0.00 H new ATOM 835 N LEU A 52 2.286 -6.133 10.101 1.00 0.00 N ATOM 836 CA LEU A 52 1.262 -6.325 9.051 1.00 0.00 C ATOM 837 C LEU A 52 1.872 -6.044 7.668 1.00 0.00 C ATOM 838 O LEU A 52 1.728 -6.851 6.741 1.00 0.00 O ATOM 839 CB LEU A 52 0.003 -5.420 9.299 1.00 0.00 C ATOM 840 CG LEU A 52 -1.126 -5.999 10.219 1.00 0.00 C ATOM 841 CD1 LEU A 52 -1.813 -7.219 9.574 1.00 0.00 C ATOM 842 CD2 LEU A 52 -0.597 -6.347 11.615 1.00 0.00 C ATOM 0 H LEU A 52 1.959 -5.557 10.876 1.00 0.00 H new ATOM 0 HA LEU A 52 0.927 -7.362 9.088 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.343 -4.480 9.733 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.439 -5.183 8.331 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.875 -5.215 10.333 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.590 -7.594 10.240 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.260 -6.925 8.624 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.075 -8.002 9.400 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.409 -6.745 12.223 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.192 -7.094 11.529 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.197 -5.449 12.087 1.00 0.00 H new ATOM 854 N ARG A 53 2.599 -4.923 7.549 1.00 0.00 N ATOM 855 CA ARG A 53 3.205 -4.473 6.295 1.00 0.00 C ATOM 856 C ARG A 53 4.617 -5.058 6.032 1.00 0.00 C ATOM 857 O ARG A 53 5.167 -4.783 4.972 1.00 0.00 O ATOM 858 CB ARG A 53 3.272 -2.924 6.301 1.00 0.00 C ATOM 859 CG ARG A 53 1.899 -2.203 6.396 1.00 0.00 C ATOM 860 CD ARG A 53 2.059 -0.679 6.542 1.00 0.00 C ATOM 861 NE ARG A 53 2.695 -0.091 5.342 1.00 0.00 N ATOM 862 CZ ARG A 53 3.899 0.496 5.285 1.00 0.00 C ATOM 863 NH1 ARG A 53 4.635 0.643 6.370 1.00 0.00 N ATOM 864 NH2 ARG A 53 4.354 0.936 4.122 1.00 0.00 N ATOM 0 H ARG A 53 2.783 -4.298 8.334 1.00 0.00 H new ATOM 0 HA ARG A 53 2.574 -4.841 5.486 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.890 -2.606 7.141 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.775 -2.594 5.392 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.311 -2.422 5.505 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.343 -2.593 7.248 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.082 -0.222 6.700 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.662 -0.457 7.422 1.00 0.00 H new ATOM 0 HE ARG A 53 2.165 -0.137 4.472 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.290 0.308 7.269 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.549 1.092 6.309 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.790 0.827 3.279 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.269 1.384 4.069 1.00 0.00 H new ATOM 878 N GLU A 54 5.226 -5.815 6.983 1.00 0.00 N ATOM 879 CA GLU A 54 6.535 -6.505 6.735 1.00 0.00 C ATOM 880 C GLU A 54 6.255 -7.928 6.258 1.00 0.00 C ATOM 881 O GLU A 54 6.996 -8.493 5.466 1.00 0.00 O ATOM 882 CB GLU A 54 7.502 -6.520 7.966 1.00 0.00 C ATOM 883 CG GLU A 54 7.213 -7.584 9.050 1.00 0.00 C ATOM 884 CD GLU A 54 8.351 -7.741 10.066 1.00 0.00 C ATOM 885 OE1 GLU A 54 9.348 -8.416 9.749 1.00 0.00 O ATOM 886 OE2 GLU A 54 8.265 -7.195 11.180 1.00 0.00 O ATOM 0 H GLU A 54 4.844 -5.966 7.917 1.00 0.00 H new ATOM 0 HA GLU A 54 7.058 -5.930 5.971 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.518 -6.670 7.601 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.474 -5.537 8.435 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.298 -7.315 9.578 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.031 -8.544 8.567 1.00 0.00 H new ATOM 893 N VAL A 55 5.178 -8.501 6.809 1.00 0.00 N ATOM 894 CA VAL A 55 4.561 -9.698 6.233 1.00 0.00 C ATOM 895 C VAL A 55 4.125 -9.344 4.791 1.00 0.00 C ATOM 896 O VAL A 55 4.342 -10.109 3.865 1.00 0.00 O ATOM 897 CB VAL A 55 3.352 -10.242 7.089 1.00 0.00 C ATOM 898 CG1 VAL A 55 2.813 -11.572 6.512 1.00 0.00 C ATOM 899 CG2 VAL A 55 3.761 -10.433 8.570 1.00 0.00 C ATOM 0 H VAL A 55 4.718 -8.155 7.651 1.00 0.00 H new ATOM 0 HA VAL A 55 5.287 -10.511 6.229 1.00 0.00 H new ATOM 0 HB VAL A 55 2.557 -9.498 7.041 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.981 -11.923 7.122 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.471 -11.413 5.489 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.607 -12.319 6.517 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.909 -10.809 9.137 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.582 -11.148 8.632 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.080 -9.477 8.985 1.00 0.00 H new ATOM 909 N HIS A 56 3.558 -8.125 4.641 1.00 0.00 N ATOM 910 CA HIS A 56 3.295 -7.548 3.291 1.00 0.00 C ATOM 911 C HIS A 56 4.499 -6.738 2.705 1.00 0.00 C ATOM 912 O HIS A 56 4.283 -5.824 1.907 1.00 0.00 O ATOM 913 CB HIS A 56 2.022 -6.649 3.354 1.00 0.00 C ATOM 914 CG HIS A 56 0.719 -7.353 3.686 1.00 0.00 C ATOM 915 ND1 HIS A 56 -0.514 -6.766 3.488 1.00 0.00 N ATOM 916 CD2 HIS A 56 0.456 -8.572 4.235 1.00 0.00 C ATOM 917 CE1 HIS A 56 -1.467 -7.580 3.897 1.00 0.00 C ATOM 918 NE2 HIS A 56 -0.908 -8.683 4.352 1.00 0.00 N ATOM 0 H HIS A 56 3.276 -7.527 5.418 1.00 0.00 H new ATOM 0 HA HIS A 56 3.141 -8.388 2.613 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.189 -5.870 4.098 1.00 0.00 H new ATOM 0 HB3 HIS A 56 1.907 -6.151 2.391 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.185 -9.314 4.525 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -2.527 -7.377 3.865 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -1.407 -9.488 4.730 1.00 0.00 H new ATOM 927 N SER A 57 5.766 -7.088 3.054 1.00 0.00 N ATOM 928 CA SER A 57 6.990 -6.472 2.429 1.00 0.00 C ATOM 929 C SER A 57 7.955 -7.582 1.995 1.00 0.00 C ATOM 930 O SER A 57 8.422 -7.604 0.851 1.00 0.00 O ATOM 931 CB SER A 57 7.702 -5.487 3.380 1.00 0.00 C ATOM 932 OG SER A 57 8.826 -4.877 2.755 1.00 0.00 O ATOM 0 H SER A 57 5.976 -7.791 3.762 1.00 0.00 H new ATOM 0 HA SER A 57 6.667 -5.898 1.560 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.000 -4.717 3.700 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.026 -6.015 4.277 1.00 0.00 H new ATOM 0 HG SER A 57 9.254 -4.258 3.383 1.00 0.00 H new ATOM 938 N GLN A 58 8.257 -8.498 2.924 1.00 0.00 N ATOM 939 CA GLN A 58 8.923 -9.778 2.610 1.00 0.00 C ATOM 940 C GLN A 58 8.047 -10.575 1.625 1.00 0.00 C ATOM 941 O GLN A 58 8.546 -11.328 0.789 1.00 0.00 O ATOM 942 CB GLN A 58 9.146 -10.602 3.895 1.00 0.00 C ATOM 943 CG GLN A 58 9.877 -9.860 5.031 1.00 0.00 C ATOM 944 CD GLN A 58 9.951 -10.682 6.316 1.00 0.00 C ATOM 945 OE1 GLN A 58 10.060 -11.909 6.280 1.00 0.00 O ATOM 946 NE2 GLN A 58 9.822 -10.028 7.455 1.00 0.00 N ATOM 0 H GLN A 58 8.049 -8.377 3.915 1.00 0.00 H new ATOM 0 HA GLN A 58 9.894 -9.573 2.159 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.177 -10.937 4.266 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.716 -11.496 3.640 1.00 0.00 H new ATOM 0 HG2 GLN A 58 10.887 -9.609 4.706 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.365 -8.920 5.234 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.734 -9.012 7.452 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.811 -10.539 8.338 1.00 0.00 H new ATOM 955 N LYS A 59 6.722 -10.430 1.797 1.00 0.00 N ATOM 956 CA LYS A 59 5.729 -10.747 0.770 1.00 0.00 C ATOM 957 C LYS A 59 5.077 -9.416 0.340 1.00 0.00 C ATOM 958 O LYS A 59 3.926 -9.151 0.685 1.00 0.00 O ATOM 959 CB LYS A 59 4.655 -11.783 1.266 1.00 0.00 C ATOM 960 CG LYS A 59 5.087 -13.273 1.307 1.00 0.00 C ATOM 961 CD LYS A 59 6.269 -13.582 2.253 1.00 0.00 C ATOM 962 CE LYS A 59 6.011 -13.195 3.719 1.00 0.00 C ATOM 963 NZ LYS A 59 7.185 -13.499 4.572 1.00 0.00 N ATOM 0 H LYS A 59 6.311 -10.085 2.665 1.00 0.00 H new ATOM 0 HA LYS A 59 6.218 -11.229 -0.077 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.341 -11.493 2.268 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.780 -11.701 0.621 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.231 -13.876 1.610 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.357 -13.586 0.298 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.493 -14.648 2.203 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.154 -13.053 1.898 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.779 -12.132 3.781 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.139 -13.733 4.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.049 -13.076 5.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.288 -14.530 4.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.043 -13.105 4.136 1.00 0.00 H new ATOM 977 N LEU A 60 5.865 -8.555 -0.372 1.00 0.00 N ATOM 978 CA LEU A 60 5.403 -7.228 -0.873 1.00 0.00 C ATOM 979 C LEU A 60 4.222 -7.438 -1.819 1.00 0.00 C ATOM 980 O LEU A 60 4.442 -7.686 -3.008 1.00 0.00 O ATOM 981 CB LEU A 60 6.566 -6.456 -1.600 1.00 0.00 C ATOM 982 CG LEU A 60 6.476 -4.876 -1.736 1.00 0.00 C ATOM 983 CD1 LEU A 60 7.673 -4.332 -2.551 1.00 0.00 C ATOM 984 CD2 LEU A 60 5.145 -4.367 -2.350 1.00 0.00 C ATOM 0 H LEU A 60 6.834 -8.763 -0.612 1.00 0.00 H new ATOM 0 HA LEU A 60 5.090 -6.618 -0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.493 -6.689 -1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.656 -6.868 -2.605 1.00 0.00 H new ATOM 0 HG LEU A 60 6.509 -4.492 -0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.594 -3.248 -2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.604 -4.591 -2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.665 -4.773 -3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.164 -3.279 -2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.024 -4.782 -3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.311 -4.682 -1.723 1.00 0.00 H new ATOM 996 N SER A 61 2.991 -7.376 -1.257 1.00 0.00 N ATOM 997 CA SER A 61 1.718 -7.547 -1.995 1.00 0.00 C ATOM 998 C SER A 61 1.624 -8.944 -2.667 1.00 0.00 C ATOM 999 O SER A 61 2.635 -9.584 -2.944 1.00 0.00 O ATOM 1000 CB SER A 61 1.540 -6.404 -3.034 1.00 0.00 C ATOM 1001 OG SER A 61 0.287 -6.468 -3.695 1.00 0.00 O ATOM 0 H SER A 61 2.853 -7.203 -0.261 1.00 0.00 H new ATOM 0 HA SER A 61 0.901 -7.489 -1.276 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.634 -5.441 -2.532 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.341 -6.459 -3.772 1.00 0.00 H new ATOM 0 HG SER A 61 0.218 -5.731 -4.337 1.00 0.00 H new ATOM 1007 N LYS A 62 0.405 -9.424 -2.925 1.00 0.00 N ATOM 1008 CA LYS A 62 0.213 -10.701 -3.634 1.00 0.00 C ATOM 1009 C LYS A 62 0.698 -10.541 -5.092 1.00 0.00 C ATOM 1010 O LYS A 62 1.719 -11.125 -5.486 1.00 0.00 O ATOM 1011 CB LYS A 62 -1.271 -11.159 -3.570 1.00 0.00 C ATOM 1012 CG LYS A 62 -1.838 -11.279 -2.142 1.00 0.00 C ATOM 1013 CD LYS A 62 -3.306 -11.761 -2.118 1.00 0.00 C ATOM 1014 CE LYS A 62 -3.858 -11.931 -0.695 1.00 0.00 C ATOM 1015 NZ LYS A 62 -3.908 -10.647 0.049 1.00 0.00 N ATOM 0 H LYS A 62 -0.461 -8.955 -2.658 1.00 0.00 H new ATOM 0 HA LYS A 62 0.801 -11.480 -3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.881 -10.452 -4.132 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.362 -12.125 -4.067 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.223 -11.973 -1.569 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.770 -10.310 -1.647 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.926 -11.047 -2.660 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.379 -12.712 -2.646 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.860 -12.358 -0.745 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.236 -12.640 -0.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.350 -10.801 0.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.942 -10.284 0.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.467 -9.955 -0.490 1.00 0.00 H new ATOM 1029 N GLU A 63 -0.088 -9.785 -5.879 1.00 0.00 N ATOM 1030 CA GLU A 63 0.181 -9.353 -7.264 1.00 0.00 C ATOM 1031 C GLU A 63 1.667 -8.972 -7.519 1.00 0.00 C ATOM 1032 O GLU A 63 2.269 -9.515 -8.435 1.00 0.00 O ATOM 1033 CB GLU A 63 -0.742 -8.154 -7.624 1.00 0.00 C ATOM 1034 CG GLU A 63 -0.658 -7.671 -9.089 1.00 0.00 C ATOM 1035 CD GLU A 63 -0.906 -8.791 -10.116 1.00 0.00 C ATOM 1036 OE1 GLU A 63 -1.974 -9.451 -10.055 1.00 0.00 O ATOM 1037 OE2 GLU A 63 -0.054 -9.001 -11.006 1.00 0.00 O ATOM 0 H GLU A 63 -0.986 -9.437 -5.544 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.032 -10.208 -7.906 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.773 -8.434 -7.410 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.496 -7.318 -6.969 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.388 -6.877 -9.245 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.327 -7.238 -9.265 1.00 0.00 H new ATOM 1044 N ALA A 64 2.241 -8.049 -6.703 1.00 0.00 N ATOM 1045 CA ALA A 64 3.663 -7.617 -6.849 1.00 0.00 C ATOM 1046 C ALA A 64 4.618 -8.820 -6.655 1.00 0.00 C ATOM 1047 O ALA A 64 5.490 -9.036 -7.491 1.00 0.00 O ATOM 1048 CB ALA A 64 3.993 -6.478 -5.869 1.00 0.00 C ATOM 0 H ALA A 64 1.746 -7.589 -5.939 1.00 0.00 H new ATOM 0 HA ALA A 64 3.805 -7.234 -7.860 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.034 -6.181 -5.994 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.345 -5.625 -6.071 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.834 -6.820 -4.846 1.00 0.00 H new ATOM 1054 N GLN A 65 4.476 -9.521 -5.493 1.00 0.00 N ATOM 1055 CA GLN A 65 5.269 -10.785 -5.273 1.00 0.00 C ATOM 1056 C GLN A 65 5.205 -11.746 -6.494 1.00 0.00 C ATOM 1057 O GLN A 65 6.202 -12.427 -6.799 1.00 0.00 O ATOM 1058 CB GLN A 65 4.835 -11.581 -4.017 1.00 0.00 C ATOM 1059 CG GLN A 65 5.359 -11.026 -2.697 1.00 0.00 C ATOM 1060 CD GLN A 65 6.888 -10.902 -2.626 1.00 0.00 C ATOM 1061 OE1 GLN A 65 7.415 -9.709 -2.871 1.00 0.00 O flip ATOM 1062 NE2 GLN A 65 7.583 -11.854 -2.282 1.00 0.00 N flip ATOM 0 H GLN A 65 3.857 -9.258 -4.726 1.00 0.00 H new ATOM 0 HA GLN A 65 6.290 -10.431 -5.128 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.746 -11.606 -3.978 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.174 -12.612 -4.122 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.918 -10.043 -2.529 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.020 -11.670 -1.886 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.152 -12.760 -2.100 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.591 -11.738 -2.178 1.00 0.00 H new ATOM 1071 N LYS A 66 4.071 -11.790 -7.230 1.00 0.00 N ATOM 1072 CA LYS A 66 3.889 -12.610 -8.429 1.00 0.00 C ATOM 1073 C LYS A 66 4.663 -12.007 -9.599 1.00 0.00 C ATOM 1074 O LYS A 66 5.273 -12.733 -10.335 1.00 0.00 O ATOM 1075 CB LYS A 66 2.386 -12.753 -8.787 1.00 0.00 C ATOM 1076 CG LYS A 66 2.112 -13.487 -10.128 1.00 0.00 C ATOM 1077 CD LYS A 66 0.602 -13.632 -10.433 1.00 0.00 C ATOM 1078 CE LYS A 66 -0.075 -12.270 -10.635 1.00 0.00 C ATOM 1079 NZ LYS A 66 -1.546 -12.375 -10.774 1.00 0.00 N ATOM 0 H LYS A 66 3.244 -11.241 -6.994 1.00 0.00 H new ATOM 0 HA LYS A 66 4.279 -13.607 -8.223 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.883 -13.291 -7.983 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.940 -11.759 -8.833 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.592 -12.941 -10.941 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.568 -14.476 -10.096 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.469 -14.240 -11.328 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.115 -14.161 -9.614 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.160 -11.624 -9.789 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.336 -11.793 -11.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.979 -11.448 -10.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.783 -12.679 -11.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.910 -13.072 -10.093 1.00 0.00 H new ATOM 1093 N LEU A 67 4.535 -10.684 -9.792 1.00 0.00 N ATOM 1094 CA LEU A 67 5.353 -9.919 -10.779 1.00 0.00 C ATOM 1095 C LEU A 67 6.870 -10.273 -10.640 1.00 0.00 C ATOM 1096 O LEU A 67 7.588 -10.448 -11.629 1.00 0.00 O ATOM 1097 CB LEU A 67 5.124 -8.388 -10.639 1.00 0.00 C ATOM 1098 CG LEU A 67 3.653 -7.878 -10.831 1.00 0.00 C ATOM 1099 CD1 LEU A 67 3.560 -6.343 -10.658 1.00 0.00 C ATOM 1100 CD2 LEU A 67 3.061 -8.313 -12.189 1.00 0.00 C ATOM 0 H LEU A 67 3.869 -10.107 -9.278 1.00 0.00 H new ATOM 0 HA LEU A 67 5.027 -10.211 -11.777 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.465 -8.082 -9.650 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.758 -7.881 -11.366 1.00 0.00 H new ATOM 0 HG LEU A 67 3.054 -8.345 -10.049 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.527 -6.023 -10.797 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.893 -6.069 -9.657 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.194 -5.854 -11.398 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.042 -7.938 -12.278 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.669 -7.908 -12.998 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.054 -9.401 -12.251 1.00 0.00 H new ATOM 1112 N MET A 68 7.288 -10.458 -9.381 1.00 0.00 N ATOM 1113 CA MET A 68 8.668 -10.851 -9.018 1.00 0.00 C ATOM 1114 C MET A 68 8.951 -12.345 -9.350 1.00 0.00 C ATOM 1115 O MET A 68 10.095 -12.716 -9.642 1.00 0.00 O ATOM 1116 CB MET A 68 8.913 -10.551 -7.518 1.00 0.00 C ATOM 1117 CG MET A 68 8.659 -9.085 -7.133 1.00 0.00 C ATOM 1118 SD MET A 68 8.737 -8.785 -5.355 1.00 0.00 S ATOM 1119 CE MET A 68 8.177 -7.080 -5.263 1.00 0.00 C ATOM 0 H MET A 68 6.676 -10.339 -8.573 1.00 0.00 H new ATOM 0 HA MET A 68 9.364 -10.263 -9.617 1.00 0.00 H new ATOM 0 HB2 MET A 68 8.267 -11.192 -6.918 1.00 0.00 H new ATOM 0 HB3 MET A 68 9.942 -10.810 -7.268 1.00 0.00 H new ATOM 0 HG2 MET A 68 9.394 -8.454 -7.633 1.00 0.00 H new ATOM 0 HG3 MET A 68 7.678 -8.785 -7.502 1.00 0.00 H new ATOM 0 HE1 MET A 68 8.771 -6.541 -4.524 1.00 0.00 H new ATOM 0 HE2 MET A 68 8.293 -6.606 -6.238 1.00 0.00 H new ATOM 0 HE3 MET A 68 7.127 -7.057 -4.971 1.00 0.00 H new ATOM 1129 N LYS A 69 7.901 -13.192 -9.306 1.00 0.00 N ATOM 1130 CA LYS A 69 7.993 -14.636 -9.709 1.00 0.00 C ATOM 1131 C LYS A 69 7.176 -14.973 -10.998 1.00 0.00 C ATOM 1132 O LYS A 69 6.828 -16.144 -11.218 1.00 0.00 O ATOM 1133 CB LYS A 69 7.563 -15.553 -8.525 1.00 0.00 C ATOM 1134 CG LYS A 69 6.071 -15.465 -8.142 1.00 0.00 C ATOM 1135 CD LYS A 69 5.667 -16.439 -7.016 1.00 0.00 C ATOM 1136 CE LYS A 69 4.172 -16.346 -6.660 1.00 0.00 C ATOM 1137 NZ LYS A 69 3.794 -17.323 -5.610 1.00 0.00 N ATOM 0 H LYS A 69 6.971 -12.912 -8.996 1.00 0.00 H new ATOM 0 HA LYS A 69 9.037 -14.827 -9.956 1.00 0.00 H new ATOM 0 HB2 LYS A 69 7.797 -16.586 -8.782 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.163 -15.298 -7.651 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.844 -14.446 -7.829 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.465 -15.670 -9.024 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.901 -17.459 -7.322 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.262 -16.228 -6.127 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.942 -15.337 -6.317 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.574 -16.523 -7.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.780 -17.230 -5.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.990 -18.287 -5.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.347 -17.138 -4.749 1.00 0.00 H new ATOM 1151 N MET A 70 6.915 -13.957 -11.861 1.00 0.00 N ATOM 1152 CA MET A 70 6.097 -14.123 -13.106 1.00 0.00 C ATOM 1153 C MET A 70 6.791 -15.061 -14.098 1.00 0.00 C ATOM 1154 O MET A 70 8.025 -15.151 -14.080 1.00 0.00 O ATOM 1155 CB MET A 70 5.806 -12.739 -13.798 1.00 0.00 C ATOM 1156 CG MET A 70 4.442 -12.112 -13.467 1.00 0.00 C ATOM 1157 SD MET A 70 3.047 -13.033 -14.151 1.00 0.00 S ATOM 1158 CE MET A 70 1.707 -11.856 -13.975 1.00 0.00 C ATOM 0 H MET A 70 7.258 -13.007 -11.722 1.00 0.00 H new ATOM 0 HA MET A 70 5.146 -14.564 -12.806 1.00 0.00 H new ATOM 0 HB2 MET A 70 6.589 -12.037 -13.512 1.00 0.00 H new ATOM 0 HB3 MET A 70 5.875 -12.870 -14.878 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.332 -12.050 -12.384 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.417 -11.091 -13.849 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.763 -12.392 -13.871 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.875 -11.243 -13.090 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.666 -11.217 -14.857 1.00 0.00 H new ATOM 1168 N PRO A 71 6.018 -15.787 -14.973 1.00 0.00 N ATOM 1169 CA PRO A 71 6.617 -16.557 -16.044 1.00 0.00 C ATOM 1170 C PRO A 71 7.197 -15.627 -17.136 1.00 0.00 C ATOM 1171 O PRO A 71 8.407 -15.390 -17.149 1.00 0.00 O ATOM 1172 CB PRO A 71 5.473 -17.475 -16.548 1.00 0.00 C ATOM 1173 CG PRO A 71 4.213 -16.762 -16.180 1.00 0.00 C ATOM 1174 CD PRO A 71 4.529 -15.931 -14.953 1.00 0.00 C ATOM 0 HA PRO A 71 7.472 -17.152 -15.723 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.538 -17.631 -17.625 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.521 -18.458 -16.080 1.00 0.00 H new ATOM 0 HG2 PRO A 71 3.872 -16.129 -16.999 1.00 0.00 H new ATOM 0 HG3 PRO A 71 3.413 -17.472 -15.972 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.036 -14.960 -14.993 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.190 -16.423 -14.042 1.00 0.00 H new ATOM 1182 N PHE A 72 6.357 -15.124 -18.067 1.00 0.00 N ATOM 1183 CA PHE A 72 6.821 -14.412 -19.267 1.00 0.00 C ATOM 1184 C PHE A 72 6.842 -12.910 -18.944 1.00 0.00 C ATOM 1185 O PHE A 72 5.786 -12.326 -18.752 1.00 0.00 O ATOM 1186 CB PHE A 72 5.857 -14.701 -20.439 1.00 0.00 C ATOM 1187 CG PHE A 72 5.812 -16.177 -20.820 1.00 0.00 C ATOM 1188 CD1 PHE A 72 6.776 -16.723 -21.664 1.00 0.00 C ATOM 1189 CD2 PHE A 72 4.814 -17.011 -20.326 1.00 0.00 C ATOM 1190 CE1 PHE A 72 6.739 -18.058 -22.006 1.00 0.00 C ATOM 1191 CE2 PHE A 72 4.779 -18.343 -20.669 1.00 0.00 C ATOM 1192 CZ PHE A 72 5.739 -18.868 -21.509 1.00 0.00 C ATOM 0 H PHE A 72 5.342 -15.202 -18.004 1.00 0.00 H new ATOM 0 HA PHE A 72 7.819 -14.742 -19.555 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.854 -14.370 -20.168 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.162 -14.116 -21.307 1.00 0.00 H new ATOM 0 HD1 PHE A 72 7.562 -16.093 -22.055 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.059 -16.609 -19.667 1.00 0.00 H new ATOM 0 HE1 PHE A 72 7.492 -18.469 -22.662 1.00 0.00 H new ATOM 0 HE2 PHE A 72 3.998 -18.979 -20.280 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.708 -19.914 -21.778 1.00 0.00 H new ATOM 1202 N GLN A 73 8.030 -12.289 -18.862 1.00 0.00 N ATOM 1203 CA GLN A 73 8.171 -10.868 -18.463 1.00 0.00 C ATOM 1204 C GLN A 73 9.348 -10.203 -19.189 1.00 0.00 C ATOM 1205 O GLN A 73 10.168 -10.888 -19.810 1.00 0.00 O ATOM 1206 CB GLN A 73 8.355 -10.729 -16.917 1.00 0.00 C ATOM 1207 CG GLN A 73 9.729 -11.164 -16.340 1.00 0.00 C ATOM 1208 CD GLN A 73 9.994 -12.663 -16.440 1.00 0.00 C ATOM 1209 OE1 GLN A 73 10.544 -13.158 -17.432 1.00 0.00 O ATOM 1210 NE2 GLN A 73 9.588 -13.398 -15.422 1.00 0.00 N ATOM 0 H GLN A 73 8.917 -12.749 -19.068 1.00 0.00 H new ATOM 0 HA GLN A 73 7.251 -10.360 -18.751 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.186 -9.687 -16.646 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.578 -11.316 -16.427 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.519 -10.629 -16.867 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.784 -10.864 -15.294 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.138 -12.955 -14.621 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.724 -14.409 -15.436 1.00 0.00 H new ATOM 1219 N ARG A 74 9.417 -8.861 -19.078 1.00 0.00 N ATOM 1220 CA ARG A 74 10.558 -8.044 -19.544 1.00 0.00 C ATOM 1221 C ARG A 74 10.358 -6.579 -19.107 1.00 0.00 C ATOM 1222 O ARG A 74 9.402 -6.258 -18.412 1.00 0.00 O ATOM 1223 CB ARG A 74 10.707 -8.116 -21.098 1.00 0.00 C ATOM 1224 CG ARG A 74 9.483 -7.598 -21.885 1.00 0.00 C ATOM 1225 CD ARG A 74 9.684 -7.651 -23.405 1.00 0.00 C ATOM 1226 NE ARG A 74 8.455 -7.276 -24.134 1.00 0.00 N ATOM 1227 CZ ARG A 74 8.368 -7.040 -25.454 1.00 0.00 C ATOM 1228 NH1 ARG A 74 9.448 -7.018 -26.219 1.00 0.00 N ATOM 1229 NH2 ARG A 74 7.192 -6.818 -26.002 1.00 0.00 N ATOM 0 H ARG A 74 8.672 -8.306 -18.657 1.00 0.00 H new ATOM 0 HA ARG A 74 11.469 -8.441 -19.097 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.583 -7.539 -21.393 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.896 -9.151 -21.384 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.608 -8.191 -21.618 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.274 -6.571 -21.587 1.00 0.00 H new ATOM 0 HD2 ARG A 74 10.494 -6.979 -23.688 1.00 0.00 H new ATOM 0 HD3 ARG A 74 9.987 -8.656 -23.697 1.00 0.00 H new ATOM 0 HE ARG A 74 7.598 -7.189 -23.588 1.00 0.00 H new ATOM 0 HH11 ARG A 74 10.367 -7.182 -25.808 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.361 -6.837 -27.219 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.351 -6.825 -25.425 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.122 -6.638 -27.004 1.00 0.00 H new ATOM 1243 N ALA A 75 11.296 -5.713 -19.495 1.00 0.00 N ATOM 1244 CA ALA A 75 11.119 -4.247 -19.426 1.00 0.00 C ATOM 1245 C ALA A 75 10.634 -3.745 -20.791 1.00 0.00 C ATOM 1246 O ALA A 75 11.205 -4.130 -21.822 1.00 0.00 O ATOM 1247 CB ALA A 75 12.423 -3.549 -19.010 1.00 0.00 C ATOM 0 H ALA A 75 12.202 -6.000 -19.867 1.00 0.00 H new ATOM 0 HA ALA A 75 10.375 -4.007 -18.666 1.00 0.00 H new ATOM 0 HB1 ALA A 75 12.262 -2.472 -18.968 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.731 -3.908 -18.028 1.00 0.00 H new ATOM 0 HB3 ALA A 75 13.203 -3.771 -19.738 1.00 0.00 H new ATOM 1253 N ILE A 76 9.571 -2.913 -20.798 1.00 0.00 N ATOM 1254 CA ILE A 76 9.020 -2.420 -22.087 1.00 0.00 C ATOM 1255 C ILE A 76 9.916 -1.336 -22.729 1.00 0.00 C ATOM 1256 O ILE A 76 10.035 -0.236 -22.192 1.00 0.00 O ATOM 1257 CB ILE A 76 7.547 -1.892 -21.840 1.00 0.00 C ATOM 1258 CG1 ILE A 76 6.649 -3.003 -21.178 1.00 0.00 C ATOM 1259 CG2 ILE A 76 6.891 -1.361 -23.126 1.00 0.00 C ATOM 1260 CD1 ILE A 76 6.544 -4.314 -21.956 1.00 0.00 C ATOM 0 H ILE A 76 9.090 -2.577 -19.964 1.00 0.00 H new ATOM 0 HA ILE A 76 8.996 -3.244 -22.800 1.00 0.00 H new ATOM 0 HB ILE A 76 7.628 -1.053 -21.149 1.00 0.00 H new ATOM 0 HG12 ILE A 76 7.043 -3.220 -20.185 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.645 -2.601 -21.041 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.883 -1.011 -22.903 1.00 0.00 H new ATOM 0 HG22 ILE A 76 7.482 -0.535 -23.522 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.842 -2.160 -23.866 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.903 -5.009 -21.413 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.117 -4.120 -22.940 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.537 -4.750 -22.071 1.00 0.00 H new ATOM 1272 N THR A 77 10.594 -1.693 -23.849 1.00 0.00 N ATOM 1273 CA THR A 77 11.485 -0.796 -24.624 1.00 0.00 C ATOM 1274 C THR A 77 10.713 0.345 -25.336 1.00 0.00 C ATOM 1275 O THR A 77 9.489 0.433 -25.246 1.00 0.00 O ATOM 1276 CB THR A 77 12.295 -1.621 -25.676 1.00 0.00 C ATOM 1277 OG1 THR A 77 11.386 -2.385 -26.485 1.00 0.00 O ATOM 1278 CG2 THR A 77 13.317 -2.565 -25.011 1.00 0.00 C ATOM 0 H THR A 77 10.535 -2.631 -24.245 1.00 0.00 H new ATOM 0 HA THR A 77 12.165 -0.331 -23.910 1.00 0.00 H new ATOM 0 HB THR A 77 12.852 -0.917 -26.294 1.00 0.00 H new ATOM 0 HG1 THR A 77 11.892 -2.902 -27.146 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.856 -3.118 -25.780 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.023 -1.980 -24.422 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.795 -3.266 -24.360 1.00 0.00 H new ATOM 1286 N LYS A 78 11.444 1.153 -26.135 1.00 0.00 N ATOM 1287 CA LYS A 78 10.972 2.464 -26.628 1.00 0.00 C ATOM 1288 C LYS A 78 10.010 2.328 -27.821 1.00 0.00 C ATOM 1289 O LYS A 78 9.160 3.205 -28.038 1.00 0.00 O ATOM 1290 CB LYS A 78 12.192 3.333 -26.986 1.00 0.00 C ATOM 1291 CG LYS A 78 13.082 3.657 -25.773 1.00 0.00 C ATOM 1292 CD LYS A 78 14.348 4.488 -26.116 1.00 0.00 C ATOM 1293 CE LYS A 78 14.038 5.916 -26.618 1.00 0.00 C ATOM 1294 NZ LYS A 78 13.583 5.966 -28.038 1.00 0.00 N ATOM 0 H LYS A 78 12.382 0.912 -26.457 1.00 0.00 H new ATOM 0 HA LYS A 78 10.400 2.947 -25.836 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.789 2.818 -27.739 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.847 4.265 -27.435 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.491 4.203 -25.038 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.390 2.723 -25.303 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.980 4.553 -25.230 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.922 3.961 -26.878 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.269 6.356 -25.983 1.00 0.00 H new ATOM 0 HE3 LYS A 78 14.931 6.532 -26.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.112 6.703 -28.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.752 5.044 -28.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.567 6.185 -28.069 1.00 0.00 H new ATOM 1308 N LYS A 79 10.094 1.183 -28.531 1.00 0.00 N ATOM 1309 CA LYS A 79 9.051 0.910 -29.557 1.00 0.00 C ATOM 1310 C LYS A 79 7.849 0.175 -29.016 1.00 0.00 C ATOM 1311 O LYS A 79 6.793 0.193 -29.646 1.00 0.00 O ATOM 1312 CB LYS A 79 9.673 0.106 -30.730 1.00 0.00 C ATOM 1313 CG LYS A 79 10.827 0.835 -31.450 1.00 0.00 C ATOM 1314 CD LYS A 79 11.456 -0.016 -32.570 1.00 0.00 C ATOM 1315 CE LYS A 79 12.622 0.707 -33.274 1.00 0.00 C ATOM 1316 NZ LYS A 79 13.202 -0.094 -34.379 1.00 0.00 N ATOM 0 H LYS A 79 10.819 0.472 -28.430 1.00 0.00 H new ATOM 0 HA LYS A 79 8.691 1.879 -29.902 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.041 -0.847 -30.349 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.892 -0.121 -31.456 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.455 1.768 -31.873 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.595 1.098 -30.723 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.815 -0.956 -32.150 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.691 -0.267 -33.305 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.270 1.661 -33.667 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.400 0.931 -32.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.981 0.435 -34.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.564 -0.994 -34.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.468 -0.286 -35.091 1.00 0.00 H new ATOM 1330 N GLU A 80 7.974 -0.452 -27.845 1.00 0.00 N ATOM 1331 CA GLU A 80 6.843 -1.182 -27.258 1.00 0.00 C ATOM 1332 C GLU A 80 6.072 -0.163 -26.364 1.00 0.00 C ATOM 1333 O GLU A 80 4.908 -0.358 -26.000 1.00 0.00 O ATOM 1334 CB GLU A 80 7.364 -2.400 -26.454 1.00 0.00 C ATOM 1335 CG GLU A 80 8.192 -3.408 -27.276 1.00 0.00 C ATOM 1336 CD GLU A 80 7.411 -3.997 -28.463 1.00 0.00 C ATOM 1337 OE1 GLU A 80 6.691 -4.999 -28.271 1.00 0.00 O ATOM 1338 OE2 GLU A 80 7.507 -3.458 -29.588 1.00 0.00 O ATOM 0 H GLU A 80 8.830 -0.471 -27.291 1.00 0.00 H new ATOM 0 HA GLU A 80 6.171 -1.582 -28.018 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.975 -2.038 -25.627 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.512 -2.921 -26.017 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.090 -2.915 -27.647 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.519 -4.219 -26.625 1.00 0.00 H new ATOM 1345 N GLN A 81 6.797 0.943 -26.053 1.00 0.00 N ATOM 1346 CA GLN A 81 6.269 2.130 -25.396 1.00 0.00 C ATOM 1347 C GLN A 81 5.559 3.024 -26.415 1.00 0.00 C ATOM 1348 O GLN A 81 4.516 3.607 -26.104 1.00 0.00 O ATOM 1349 CB GLN A 81 7.387 2.925 -24.672 1.00 0.00 C ATOM 1350 CG GLN A 81 7.841 2.316 -23.335 1.00 0.00 C ATOM 1351 CD GLN A 81 8.794 3.218 -22.558 1.00 0.00 C ATOM 1352 OE1 GLN A 81 8.723 4.446 -22.644 1.00 0.00 O ATOM 1353 NE2 GLN A 81 9.671 2.630 -21.778 1.00 0.00 N ATOM 0 H GLN A 81 7.792 1.018 -26.266 1.00 0.00 H new ATOM 0 HA GLN A 81 5.552 1.804 -24.643 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.250 2.999 -25.334 1.00 0.00 H new ATOM 0 HB3 GLN A 81 7.035 3.941 -24.493 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.965 2.109 -22.721 1.00 0.00 H new ATOM 0 HG3 GLN A 81 8.329 1.360 -23.525 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.707 1.612 -21.727 1.00 0.00 H new ATOM 0 HE22 GLN A 81 10.317 3.191 -21.223 1.00 0.00 H new ATOM 1362 N ALA A 82 6.121 3.135 -27.640 1.00 0.00 N ATOM 1363 CA ALA A 82 5.506 3.941 -28.720 1.00 0.00 C ATOM 1364 C ALA A 82 4.364 3.155 -29.390 1.00 0.00 C ATOM 1365 O ALA A 82 3.504 3.744 -30.057 1.00 0.00 O ATOM 1366 CB ALA A 82 6.566 4.355 -29.757 1.00 0.00 C ATOM 0 H ALA A 82 6.994 2.680 -27.905 1.00 0.00 H new ATOM 0 HA ALA A 82 5.088 4.848 -28.282 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.095 4.946 -30.542 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.339 4.949 -29.270 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.015 3.463 -30.194 1.00 0.00 H new ATOM 1372 N ASP A 83 4.375 1.817 -29.218 1.00 0.00 N ATOM 1373 CA ASP A 83 3.310 0.926 -29.709 1.00 0.00 C ATOM 1374 C ASP A 83 2.705 0.154 -28.540 1.00 0.00 C ATOM 1375 O ASP A 83 2.799 -1.067 -28.469 1.00 0.00 O ATOM 1376 CB ASP A 83 3.842 -0.039 -30.806 1.00 0.00 C ATOM 1377 CG ASP A 83 4.270 0.692 -32.080 1.00 0.00 C ATOM 1378 OD1 ASP A 83 3.392 1.002 -32.912 1.00 0.00 O ATOM 1379 OD2 ASP A 83 5.477 0.974 -32.249 1.00 0.00 O ATOM 0 H ASP A 83 5.126 1.325 -28.733 1.00 0.00 H new ATOM 0 HA ASP A 83 2.530 1.534 -30.168 1.00 0.00 H new ATOM 0 HB2 ASP A 83 4.690 -0.599 -30.411 1.00 0.00 H new ATOM 0 HB3 ASP A 83 3.067 -0.765 -31.052 1.00 0.00 H new ATOM 1384 N MET A 84 2.077 0.904 -27.624 1.00 0.00 N ATOM 1385 CA MET A 84 1.366 0.348 -26.451 1.00 0.00 C ATOM 1386 C MET A 84 0.097 -0.422 -26.894 1.00 0.00 C ATOM 1387 O MET A 84 -0.312 -1.388 -26.252 1.00 0.00 O ATOM 1388 CB MET A 84 0.984 1.510 -25.487 1.00 0.00 C ATOM 1389 CG MET A 84 0.419 1.101 -24.103 1.00 0.00 C ATOM 1390 SD MET A 84 1.638 1.149 -22.757 1.00 0.00 S ATOM 1391 CE MET A 84 2.814 -0.123 -23.205 1.00 0.00 C ATOM 0 H MET A 84 2.045 1.922 -27.671 1.00 0.00 H new ATOM 0 HA MET A 84 2.022 -0.353 -25.935 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.869 2.125 -25.326 1.00 0.00 H new ATOM 0 HB3 MET A 84 0.246 2.138 -25.985 1.00 0.00 H new ATOM 0 HG2 MET A 84 -0.410 1.763 -23.851 1.00 0.00 H new ATOM 0 HG3 MET A 84 0.011 0.093 -24.173 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.653 -0.104 -22.509 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.329 -1.098 -23.163 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.178 0.058 -24.216 1.00 0.00 H new ATOM 1401 N GLY A 85 -0.460 0.012 -28.035 1.00 0.00 N ATOM 1402 CA GLY A 85 -1.689 -0.563 -28.585 1.00 0.00 C ATOM 1403 C GLY A 85 -1.440 -1.941 -29.181 1.00 0.00 C ATOM 1404 O GLY A 85 -2.088 -2.926 -28.805 1.00 0.00 O ATOM 0 H GLY A 85 -0.070 0.768 -28.597 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.442 -0.635 -27.800 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.091 0.099 -29.352 1.00 0.00 H new ATOM 1408 N LYS A 86 -0.450 -1.983 -30.089 1.00 0.00 N ATOM 1409 CA LYS A 86 0.016 -3.217 -30.752 1.00 0.00 C ATOM 1410 C LYS A 86 0.552 -4.228 -29.716 1.00 0.00 C ATOM 1411 O LYS A 86 0.240 -5.424 -29.775 1.00 0.00 O ATOM 1412 CB LYS A 86 1.089 -2.826 -31.822 1.00 0.00 C ATOM 1413 CG LYS A 86 1.707 -3.982 -32.668 1.00 0.00 C ATOM 1414 CD LYS A 86 2.967 -4.622 -32.031 1.00 0.00 C ATOM 1415 CE LYS A 86 4.128 -3.620 -31.866 1.00 0.00 C ATOM 1416 NZ LYS A 86 5.339 -4.262 -31.295 1.00 0.00 N ATOM 0 H LYS A 86 0.057 -1.150 -30.388 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.812 -3.715 -31.256 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.637 -2.110 -32.508 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.902 -2.309 -31.312 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.953 -4.755 -32.814 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.966 -3.599 -33.655 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.706 -5.033 -31.056 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.298 -5.456 -32.650 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.371 -3.184 -32.835 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.812 -2.802 -31.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.839 -3.581 -30.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.060 -5.089 -30.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.967 -4.565 -32.066 1.00 0.00 H new ATOM 1430 N LEU A 87 1.407 -3.726 -28.821 1.00 0.00 N ATOM 1431 CA LEU A 87 1.935 -4.501 -27.684 1.00 0.00 C ATOM 1432 C LEU A 87 0.814 -5.229 -26.881 1.00 0.00 C ATOM 1433 O LEU A 87 0.825 -6.460 -26.781 1.00 0.00 O ATOM 1434 CB LEU A 87 2.766 -3.581 -26.753 1.00 0.00 C ATOM 1435 CG LEU A 87 3.379 -4.255 -25.496 1.00 0.00 C ATOM 1436 CD1 LEU A 87 4.316 -5.427 -25.856 1.00 0.00 C ATOM 1437 CD2 LEU A 87 4.080 -3.227 -24.590 1.00 0.00 C ATOM 0 H LEU A 87 1.756 -2.769 -28.860 1.00 0.00 H new ATOM 0 HA LEU A 87 2.580 -5.278 -28.094 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.576 -3.144 -27.337 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.129 -2.759 -26.425 1.00 0.00 H new ATOM 0 HG LEU A 87 2.549 -4.681 -24.932 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.719 -5.865 -24.943 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.757 -6.184 -26.405 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.135 -5.061 -26.475 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.497 -3.734 -23.720 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.881 -2.739 -25.145 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.358 -2.479 -24.262 1.00 0.00 H new ATOM 1449 N LYS A 88 -0.163 -4.461 -26.362 1.00 0.00 N ATOM 1450 CA LYS A 88 -1.196 -4.978 -25.428 1.00 0.00 C ATOM 1451 C LYS A 88 -2.288 -5.846 -26.082 1.00 0.00 C ATOM 1452 O LYS A 88 -2.898 -6.667 -25.379 1.00 0.00 O ATOM 1453 CB LYS A 88 -1.852 -3.795 -24.675 1.00 0.00 C ATOM 1454 CG LYS A 88 -0.927 -3.116 -23.644 1.00 0.00 C ATOM 1455 CD LYS A 88 -1.649 -2.036 -22.819 1.00 0.00 C ATOM 1456 CE LYS A 88 -0.789 -1.511 -21.668 1.00 0.00 C ATOM 1457 NZ LYS A 88 -1.471 -0.420 -20.930 1.00 0.00 N ATOM 0 H LYS A 88 -0.263 -3.468 -26.574 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.668 -5.641 -24.743 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.177 -3.051 -25.402 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.746 -4.154 -24.165 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.523 -3.872 -22.971 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.080 -2.666 -24.162 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.924 -1.207 -23.471 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.576 -2.447 -22.419 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.560 -2.327 -20.983 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.161 -1.148 -22.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.859 -0.088 -20.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.667 0.369 -21.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.366 -0.774 -20.536 1.00 0.00 H new ATOM 1471 N LYS A 89 -2.529 -5.686 -27.403 1.00 0.00 N ATOM 1472 CA LYS A 89 -3.667 -6.371 -28.061 1.00 0.00 C ATOM 1473 C LYS A 89 -3.435 -7.899 -28.098 1.00 0.00 C ATOM 1474 O LYS A 89 -4.334 -8.675 -27.743 1.00 0.00 O ATOM 1475 CB LYS A 89 -4.029 -5.750 -29.465 1.00 0.00 C ATOM 1476 CG LYS A 89 -2.883 -5.608 -30.509 1.00 0.00 C ATOM 1477 CD LYS A 89 -2.602 -6.880 -31.339 1.00 0.00 C ATOM 1478 CE LYS A 89 -1.397 -6.717 -32.283 1.00 0.00 C ATOM 1479 NZ LYS A 89 -1.092 -7.977 -33.002 1.00 0.00 N ATOM 0 H LYS A 89 -1.966 -5.103 -28.023 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.556 -6.200 -27.454 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.814 -6.361 -29.910 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.453 -4.760 -29.295 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.130 -4.794 -31.190 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.969 -5.322 -29.988 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -2.420 -7.717 -30.664 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -3.487 -7.130 -31.925 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.604 -5.927 -33.005 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -0.524 -6.404 -31.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.354 -7.801 -33.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.756 -8.691 -32.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.951 -8.325 -33.473 1.00 0.00 H new ATOM 1493 N SER A 90 -2.224 -8.312 -28.516 1.00 0.00 N ATOM 1494 CA SER A 90 -1.815 -9.721 -28.595 1.00 0.00 C ATOM 1495 C SER A 90 -1.877 -10.408 -27.212 1.00 0.00 C ATOM 1496 O SER A 90 -2.575 -11.413 -27.032 1.00 0.00 O ATOM 1497 CB SER A 90 -0.372 -9.788 -29.157 1.00 0.00 C ATOM 1498 OG SER A 90 -0.304 -9.211 -30.453 1.00 0.00 O ATOM 0 H SER A 90 -1.494 -7.664 -28.812 1.00 0.00 H new ATOM 0 HA SER A 90 -2.503 -10.251 -29.254 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.308 -9.264 -28.486 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.042 -10.826 -29.199 1.00 0.00 H new ATOM 0 HG SER A 90 0.139 -9.835 -31.066 1.00 0.00 H new ATOM 1504 N VAL A 91 -1.135 -9.830 -26.254 1.00 0.00 N ATOM 1505 CA VAL A 91 -0.872 -10.465 -24.944 1.00 0.00 C ATOM 1506 C VAL A 91 -2.155 -10.580 -24.095 1.00 0.00 C ATOM 1507 O VAL A 91 -2.359 -11.599 -23.419 1.00 0.00 O ATOM 1508 CB VAL A 91 0.200 -9.671 -24.108 1.00 0.00 C ATOM 1509 CG1 VAL A 91 0.843 -10.560 -23.011 1.00 0.00 C ATOM 1510 CG2 VAL A 91 1.273 -9.036 -25.004 1.00 0.00 C ATOM 0 H VAL A 91 -0.700 -8.913 -26.361 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.491 -11.461 -25.171 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.329 -8.859 -23.609 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.578 -9.978 -22.455 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.069 -10.914 -22.330 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.335 -11.414 -23.477 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.992 -8.498 -24.386 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.788 -9.817 -25.564 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.802 -8.342 -25.700 1.00 0.00 H new ATOM 1520 N ARG A 92 -2.966 -9.496 -24.124 1.00 0.00 N ATOM 1521 CA ARG A 92 -4.250 -9.356 -23.387 1.00 0.00 C ATOM 1522 C ARG A 92 -4.007 -9.133 -21.875 1.00 0.00 C ATOM 1523 O ARG A 92 -4.250 -8.037 -21.356 1.00 0.00 O ATOM 1524 CB ARG A 92 -5.201 -10.564 -23.637 1.00 0.00 C ATOM 1525 CG ARG A 92 -6.622 -10.416 -23.039 1.00 0.00 C ATOM 1526 CD ARG A 92 -7.418 -11.731 -23.075 1.00 0.00 C ATOM 1527 NE ARG A 92 -6.785 -12.769 -22.230 1.00 0.00 N ATOM 1528 CZ ARG A 92 -7.400 -13.459 -21.258 1.00 0.00 C ATOM 1529 NH1 ARG A 92 -8.690 -13.286 -21.014 1.00 0.00 N ATOM 1530 NH2 ARG A 92 -6.714 -14.327 -20.539 1.00 0.00 N ATOM 0 H ARG A 92 -2.741 -8.669 -24.677 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.750 -8.470 -23.779 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -5.290 -10.720 -24.712 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.741 -11.461 -23.222 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -6.544 -10.071 -22.008 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -7.167 -9.650 -23.591 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -8.437 -11.551 -22.731 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.487 -12.088 -24.102 1.00 0.00 H new ATOM 0 HE ARG A 92 -5.801 -12.976 -22.401 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -9.229 -12.621 -21.569 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -9.144 -13.818 -20.272 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -5.721 -14.470 -20.724 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -7.177 -14.854 -19.799 1.00 0.00 H new ATOM 1544 N GLY A 93 -3.485 -10.174 -21.185 1.00 0.00 N ATOM 1545 CA GLY A 93 -3.194 -10.120 -19.738 1.00 0.00 C ATOM 1546 C GLY A 93 -1.832 -9.501 -19.405 1.00 0.00 C ATOM 1547 O GLY A 93 -1.256 -9.772 -18.346 1.00 0.00 O ATOM 0 H GLY A 93 -3.256 -11.070 -21.616 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.975 -9.545 -19.241 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.233 -11.130 -19.331 1.00 0.00 H new ATOM 1551 N LEU A 94 -1.307 -8.706 -20.345 1.00 0.00 N ATOM 1552 CA LEU A 94 -0.092 -7.914 -20.134 1.00 0.00 C ATOM 1553 C LEU A 94 -0.318 -6.858 -19.047 1.00 0.00 C ATOM 1554 O LEU A 94 -1.276 -6.097 -19.107 1.00 0.00 O ATOM 1555 CB LEU A 94 0.360 -7.244 -21.442 1.00 0.00 C ATOM 1556 CG LEU A 94 1.636 -6.364 -21.352 1.00 0.00 C ATOM 1557 CD1 LEU A 94 2.809 -7.100 -20.665 1.00 0.00 C ATOM 1558 CD2 LEU A 94 2.043 -5.863 -22.741 1.00 0.00 C ATOM 0 H LEU A 94 -1.714 -8.594 -21.274 1.00 0.00 H new ATOM 0 HA LEU A 94 0.697 -8.590 -19.804 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.532 -8.023 -22.185 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.458 -6.626 -21.812 1.00 0.00 H new ATOM 0 HG LEU A 94 1.393 -5.505 -20.727 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.678 -6.443 -20.626 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.520 -7.379 -19.652 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.057 -7.997 -21.232 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.939 -5.248 -22.658 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.246 -6.715 -23.390 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.233 -5.269 -23.165 1.00 0.00 H new ATOM 1570 N VAL A 95 0.566 -6.846 -18.050 1.00 0.00 N ATOM 1571 CA VAL A 95 0.646 -5.887 -16.954 1.00 0.00 C ATOM 1572 C VAL A 95 1.816 -4.961 -17.295 1.00 0.00 C ATOM 1573 O VAL A 95 2.911 -5.462 -17.517 1.00 0.00 O ATOM 1574 CB VAL A 95 0.919 -6.603 -15.576 1.00 0.00 C ATOM 1575 CG1 VAL A 95 1.002 -5.585 -14.409 1.00 0.00 C ATOM 1576 CG2 VAL A 95 -0.143 -7.696 -15.304 1.00 0.00 C ATOM 0 H VAL A 95 1.295 -7.557 -17.984 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.295 -5.347 -16.847 1.00 0.00 H new ATOM 0 HB VAL A 95 1.891 -7.091 -15.641 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.191 -6.116 -13.476 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.813 -4.881 -14.597 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.060 -5.041 -14.333 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.066 -8.176 -14.348 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.133 -7.242 -15.273 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.110 -8.441 -16.099 1.00 0.00 H new ATOM 1586 N VAL A 96 1.602 -3.638 -17.358 1.00 0.00 N ATOM 1587 CA VAL A 96 2.654 -2.669 -17.750 1.00 0.00 C ATOM 1588 C VAL A 96 2.734 -1.591 -16.660 1.00 0.00 C ATOM 1589 O VAL A 96 1.813 -0.780 -16.511 1.00 0.00 O ATOM 1590 CB VAL A 96 2.381 -1.995 -19.150 1.00 0.00 C ATOM 1591 CG1 VAL A 96 3.469 -0.955 -19.498 1.00 0.00 C ATOM 1592 CG2 VAL A 96 2.272 -3.042 -20.277 1.00 0.00 C ATOM 0 H VAL A 96 0.704 -3.205 -17.142 1.00 0.00 H new ATOM 0 HA VAL A 96 3.596 -3.209 -17.849 1.00 0.00 H new ATOM 0 HB VAL A 96 1.423 -1.481 -19.069 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.250 -0.510 -20.469 1.00 0.00 H new ATOM 0 HG12 VAL A 96 3.484 -0.175 -18.737 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.442 -1.445 -19.535 1.00 0.00 H new ATOM 0 HG21 VAL A 96 2.084 -2.538 -21.225 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.204 -3.604 -20.343 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.451 -3.726 -20.060 1.00 0.00 H new ATOM 1602 N VAL A 97 3.824 -1.615 -15.890 1.00 0.00 N ATOM 1603 CA VAL A 97 4.031 -0.742 -14.730 1.00 0.00 C ATOM 1604 C VAL A 97 4.924 0.445 -15.150 1.00 0.00 C ATOM 1605 O VAL A 97 6.075 0.235 -15.551 1.00 0.00 O ATOM 1606 CB VAL A 97 4.707 -1.542 -13.550 1.00 0.00 C ATOM 1607 CG1 VAL A 97 4.783 -0.694 -12.256 1.00 0.00 C ATOM 1608 CG2 VAL A 97 3.983 -2.895 -13.292 1.00 0.00 C ATOM 0 H VAL A 97 4.602 -2.253 -16.057 1.00 0.00 H new ATOM 0 HA VAL A 97 3.068 -0.371 -14.379 1.00 0.00 H new ATOM 0 HB VAL A 97 5.729 -1.766 -13.856 1.00 0.00 H new ATOM 0 HG11 VAL A 97 5.254 -1.278 -11.465 1.00 0.00 H new ATOM 0 HG12 VAL A 97 5.371 0.204 -12.444 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.777 -0.411 -11.947 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.474 -3.420 -12.473 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.942 -2.706 -13.029 1.00 0.00 H new ATOM 0 HG23 VAL A 97 4.025 -3.507 -14.193 1.00 0.00 H new ATOM 1618 N HIS A 98 4.398 1.682 -15.068 1.00 0.00 N ATOM 1619 CA HIS A 98 5.121 2.911 -15.465 1.00 0.00 C ATOM 1620 C HIS A 98 5.868 3.445 -14.214 1.00 0.00 C ATOM 1621 O HIS A 98 5.296 3.409 -13.129 1.00 0.00 O ATOM 1622 CB HIS A 98 4.082 3.954 -15.986 1.00 0.00 C ATOM 1623 CG HIS A 98 4.654 5.227 -16.569 1.00 0.00 C ATOM 1624 ND1 HIS A 98 5.305 6.151 -15.789 1.00 0.00 N ATOM 1625 CD2 HIS A 98 4.665 5.665 -17.855 1.00 0.00 C ATOM 1626 CE1 HIS A 98 5.698 7.106 -16.607 1.00 0.00 C ATOM 1627 NE2 HIS A 98 5.333 6.855 -17.863 1.00 0.00 N ATOM 0 H HIS A 98 3.455 1.860 -14.723 1.00 0.00 H new ATOM 0 HA HIS A 98 5.842 2.716 -16.259 1.00 0.00 H new ATOM 0 HB2 HIS A 98 3.466 3.474 -16.747 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.420 4.221 -15.162 1.00 0.00 H new ATOM 0 HD2 HIS A 98 4.229 5.167 -18.708 1.00 0.00 H new ATOM 0 HE1 HIS A 98 6.247 7.983 -16.298 1.00 0.00 H new ATOM 0 HE2 HIS A 98 5.518 7.441 -18.677 1.00 0.00 H new ATOM 1635 N PRO A 99 7.130 3.968 -14.325 1.00 0.00 N ATOM 1636 CA PRO A 99 7.926 4.409 -13.146 1.00 0.00 C ATOM 1637 C PRO A 99 7.270 5.567 -12.333 1.00 0.00 C ATOM 1638 O PRO A 99 7.506 5.695 -11.134 1.00 0.00 O ATOM 1639 CB PRO A 99 9.277 4.845 -13.766 1.00 0.00 C ATOM 1640 CG PRO A 99 8.964 5.146 -15.195 1.00 0.00 C ATOM 1641 CD PRO A 99 7.894 4.156 -15.584 1.00 0.00 C ATOM 0 HA PRO A 99 8.017 3.610 -12.410 1.00 0.00 H new ATOM 0 HB2 PRO A 99 9.681 5.720 -13.257 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.023 4.055 -13.683 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.613 6.171 -15.314 1.00 0.00 H new ATOM 0 HG3 PRO A 99 9.848 5.037 -15.823 1.00 0.00 H new ATOM 0 HD2 PRO A 99 7.262 4.540 -16.385 1.00 0.00 H new ATOM 0 HD3 PRO A 99 8.323 3.219 -15.938 1.00 0.00 H new ATOM 1649 N MET A 100 6.429 6.390 -12.993 1.00 0.00 N ATOM 1650 CA MET A 100 5.807 7.572 -12.335 1.00 0.00 C ATOM 1651 C MET A 100 4.447 7.255 -11.692 1.00 0.00 C ATOM 1652 O MET A 100 3.837 8.145 -11.080 1.00 0.00 O ATOM 1653 CB MET A 100 5.672 8.754 -13.320 1.00 0.00 C ATOM 1654 CG MET A 100 7.000 9.254 -13.895 1.00 0.00 C ATOM 1655 SD MET A 100 6.846 10.878 -14.686 1.00 0.00 S ATOM 1656 CE MET A 100 5.517 10.600 -15.862 1.00 0.00 C ATOM 0 H MET A 100 6.163 6.266 -13.970 1.00 0.00 H new ATOM 0 HA MET A 100 6.483 7.858 -11.529 1.00 0.00 H new ATOM 0 HB2 MET A 100 5.024 8.453 -14.143 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.177 9.581 -12.811 1.00 0.00 H new ATOM 0 HG2 MET A 100 7.740 9.311 -13.096 1.00 0.00 H new ATOM 0 HG3 MET A 100 7.372 8.533 -14.623 1.00 0.00 H new ATOM 0 HE1 MET A 100 5.189 11.555 -16.273 1.00 0.00 H new ATOM 0 HE2 MET A 100 5.874 9.961 -16.670 1.00 0.00 H new ATOM 0 HE3 MET A 100 4.681 10.116 -15.358 1.00 0.00 H new ATOM 1666 N THR A 101 3.970 6.007 -11.827 1.00 0.00 N ATOM 1667 CA THR A 101 2.760 5.529 -11.101 1.00 0.00 C ATOM 1668 C THR A 101 3.068 5.276 -9.622 1.00 0.00 C ATOM 1669 O THR A 101 4.224 5.361 -9.206 1.00 0.00 O ATOM 1670 CB THR A 101 2.164 4.220 -11.723 1.00 0.00 C ATOM 1671 OG1 THR A 101 3.122 3.149 -11.661 1.00 0.00 O ATOM 1672 CG2 THR A 101 1.703 4.444 -13.168 1.00 0.00 C ATOM 0 H THR A 101 4.397 5.303 -12.430 1.00 0.00 H new ATOM 0 HA THR A 101 2.020 6.324 -11.196 1.00 0.00 H new ATOM 0 HB THR A 101 1.290 3.942 -11.134 1.00 0.00 H new ATOM 0 HG1 THR A 101 3.947 3.422 -12.113 1.00 0.00 H new ATOM 0 HG21 THR A 101 1.295 3.516 -13.568 1.00 0.00 H new ATOM 0 HG22 THR A 101 0.934 5.217 -13.189 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.551 4.759 -13.776 1.00 0.00 H new ATOM 1680 N ALA A 102 2.017 4.946 -8.850 1.00 0.00 N ATOM 1681 CA ALA A 102 2.130 4.633 -7.425 1.00 0.00 C ATOM 1682 C ALA A 102 3.157 3.512 -7.174 1.00 0.00 C ATOM 1683 O ALA A 102 4.224 3.760 -6.580 1.00 0.00 O ATOM 1684 CB ALA A 102 0.749 4.259 -6.864 1.00 0.00 C ATOM 0 H ALA A 102 1.062 4.890 -9.205 1.00 0.00 H new ATOM 0 HA ALA A 102 2.492 5.519 -6.903 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.838 4.027 -5.803 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.064 5.096 -6.996 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.364 3.388 -7.395 1.00 0.00 H new ATOM 1690 N LEU A 103 2.836 2.282 -7.633 1.00 0.00 N ATOM 1691 CA LEU A 103 3.675 1.081 -7.465 1.00 0.00 C ATOM 1692 C LEU A 103 5.024 1.264 -8.197 1.00 0.00 C ATOM 1693 O LEU A 103 6.080 0.848 -7.713 1.00 0.00 O ATOM 1694 CB LEU A 103 2.905 -0.131 -8.069 1.00 0.00 C ATOM 1695 CG LEU A 103 3.439 -1.552 -7.704 1.00 0.00 C ATOM 1696 CD1 LEU A 103 3.395 -1.804 -6.174 1.00 0.00 C ATOM 1697 CD2 LEU A 103 2.665 -2.649 -8.478 1.00 0.00 C ATOM 0 H LEU A 103 1.970 2.096 -8.139 1.00 0.00 H new ATOM 0 HA LEU A 103 3.881 0.913 -6.408 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.865 -0.066 -7.751 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.913 -0.033 -9.155 1.00 0.00 H new ATOM 0 HG LEU A 103 4.485 -1.600 -8.008 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.774 -2.803 -5.959 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.013 -1.064 -5.665 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.367 -1.722 -5.821 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.055 -3.630 -8.207 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.607 -2.596 -8.223 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.788 -2.493 -9.550 1.00 0.00 H new ATOM 1709 N GLY A 104 4.918 1.868 -9.398 1.00 0.00 N ATOM 1710 CA GLY A 104 6.069 2.327 -10.171 1.00 0.00 C ATOM 1711 C GLY A 104 7.124 3.100 -9.389 1.00 0.00 C ATOM 1712 O GLY A 104 8.326 2.911 -9.630 1.00 0.00 O ATOM 0 H GLY A 104 4.023 2.048 -9.853 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.545 1.460 -10.629 1.00 0.00 H new ATOM 0 HA3 GLY A 104 5.709 2.959 -10.983 1.00 0.00 H new ATOM 1716 N ARG A 105 6.712 3.971 -8.445 1.00 0.00 N ATOM 1717 CA ARG A 105 7.656 4.693 -7.590 1.00 0.00 C ATOM 1718 C ARG A 105 7.994 3.838 -6.370 1.00 0.00 C ATOM 1719 O ARG A 105 9.128 3.888 -5.885 1.00 0.00 O ATOM 1720 CB ARG A 105 7.058 6.054 -7.120 1.00 0.00 C ATOM 1721 CG ARG A 105 6.676 7.027 -8.254 1.00 0.00 C ATOM 1722 CD ARG A 105 6.090 8.356 -7.731 1.00 0.00 C ATOM 1723 NE ARG A 105 5.535 9.196 -8.816 1.00 0.00 N ATOM 1724 CZ ARG A 105 5.630 10.534 -8.906 1.00 0.00 C ATOM 1725 NH1 ARG A 105 6.285 11.239 -7.996 1.00 0.00 N ATOM 1726 NH2 ARG A 105 5.042 11.157 -9.909 1.00 0.00 N ATOM 0 H ARG A 105 5.732 4.186 -8.261 1.00 0.00 H new ATOM 0 HA ARG A 105 8.559 4.894 -8.167 1.00 0.00 H new ATOM 0 HB2 ARG A 105 6.171 5.855 -6.519 1.00 0.00 H new ATOM 0 HB3 ARG A 105 7.781 6.545 -6.469 1.00 0.00 H new ATOM 0 HG2 ARG A 105 7.558 7.237 -8.858 1.00 0.00 H new ATOM 0 HG3 ARG A 105 5.948 6.547 -8.908 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.306 8.143 -7.004 1.00 0.00 H new ATOM 0 HD3 ARG A 105 6.868 8.912 -7.207 1.00 0.00 H new ATOM 0 HE ARG A 105 5.035 8.716 -9.564 1.00 0.00 H new ATOM 0 HH11 ARG A 105 6.729 10.767 -7.208 1.00 0.00 H new ATOM 0 HH12 ARG A 105 6.345 12.253 -8.083 1.00 0.00 H new ATOM 0 HH21 ARG A 105 4.522 10.624 -10.606 1.00 0.00 H new ATOM 0 HH22 ARG A 105 5.107 12.172 -9.988 1.00 0.00 H new ATOM 1740 N GLU A 106 7.006 3.048 -5.870 1.00 0.00 N ATOM 1741 CA GLU A 106 7.113 2.321 -4.601 1.00 0.00 C ATOM 1742 C GLU A 106 8.216 1.260 -4.667 1.00 0.00 C ATOM 1743 O GLU A 106 9.164 1.309 -3.876 1.00 0.00 O ATOM 1744 CB GLU A 106 5.749 1.649 -4.264 1.00 0.00 C ATOM 1745 CG GLU A 106 5.731 0.820 -2.962 1.00 0.00 C ATOM 1746 CD GLU A 106 6.094 1.648 -1.720 1.00 0.00 C ATOM 1747 OE1 GLU A 106 5.270 2.486 -1.312 1.00 0.00 O ATOM 1748 OE2 GLU A 106 7.196 1.477 -1.154 1.00 0.00 O ATOM 0 H GLU A 106 6.115 2.905 -6.346 1.00 0.00 H new ATOM 0 HA GLU A 106 7.372 3.033 -3.817 1.00 0.00 H new ATOM 0 HB2 GLU A 106 4.987 2.425 -4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 106 5.467 1.000 -5.093 1.00 0.00 H new ATOM 0 HG2 GLU A 106 4.740 0.387 -2.827 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.431 -0.010 -3.056 1.00 0.00 H new ATOM 1755 N MET A 107 8.081 0.277 -5.597 1.00 0.00 N ATOM 1756 CA MET A 107 9.086 -0.788 -5.817 1.00 0.00 C ATOM 1757 C MET A 107 10.438 -0.183 -6.267 1.00 0.00 C ATOM 1758 O MET A 107 11.477 -0.840 -6.190 1.00 0.00 O ATOM 1759 CB MET A 107 8.529 -1.799 -6.881 1.00 0.00 C ATOM 1760 CG MET A 107 7.320 -2.657 -6.406 1.00 0.00 C ATOM 1761 SD MET A 107 6.304 -3.326 -7.754 1.00 0.00 S ATOM 1762 CE MET A 107 7.415 -4.402 -8.647 1.00 0.00 C ATOM 0 H MET A 107 7.271 0.204 -6.213 1.00 0.00 H new ATOM 0 HA MET A 107 9.268 -1.319 -4.883 1.00 0.00 H new ATOM 0 HB2 MET A 107 8.232 -1.241 -7.769 1.00 0.00 H new ATOM 0 HB3 MET A 107 9.335 -2.469 -7.180 1.00 0.00 H new ATOM 0 HG2 MET A 107 7.692 -3.484 -5.802 1.00 0.00 H new ATOM 0 HG3 MET A 107 6.689 -2.048 -5.759 1.00 0.00 H new ATOM 0 HE1 MET A 107 6.843 -5.026 -9.334 1.00 0.00 H new ATOM 0 HE2 MET A 107 8.129 -3.801 -9.211 1.00 0.00 H new ATOM 0 HE3 MET A 107 7.952 -5.036 -7.942 1.00 0.00 H new ATOM 1772 N GLY A 108 10.398 1.085 -6.727 1.00 0.00 N ATOM 1773 CA GLY A 108 11.600 1.855 -7.045 1.00 0.00 C ATOM 1774 C GLY A 108 12.040 1.679 -8.484 1.00 0.00 C ATOM 1775 O GLY A 108 13.238 1.552 -8.763 1.00 0.00 O ATOM 0 H GLY A 108 9.529 1.595 -6.885 1.00 0.00 H new ATOM 0 HA2 GLY A 108 11.412 2.911 -6.853 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.409 1.550 -6.381 1.00 0.00 H new ATOM 1779 N LEU A 109 11.059 1.671 -9.405 1.00 0.00 N ATOM 1780 CA LEU A 109 11.312 1.518 -10.846 1.00 0.00 C ATOM 1781 C LEU A 109 11.671 2.881 -11.463 1.00 0.00 C ATOM 1782 O LEU A 109 11.023 3.899 -11.178 1.00 0.00 O ATOM 1783 CB LEU A 109 10.080 0.899 -11.564 1.00 0.00 C ATOM 1784 CG LEU A 109 9.596 -0.489 -11.022 1.00 0.00 C ATOM 1785 CD1 LEU A 109 8.408 -1.025 -11.852 1.00 0.00 C ATOM 1786 CD2 LEU A 109 10.749 -1.523 -10.976 1.00 0.00 C ATOM 0 H LEU A 109 10.071 1.770 -9.170 1.00 0.00 H new ATOM 0 HA LEU A 109 12.153 0.838 -10.980 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.251 1.603 -11.493 1.00 0.00 H new ATOM 0 HB3 LEU A 109 10.317 0.791 -12.622 1.00 0.00 H new ATOM 0 HG LEU A 109 9.255 -0.335 -9.998 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.092 -1.989 -11.454 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.578 -0.320 -11.797 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.714 -1.144 -12.891 1.00 0.00 H new ATOM 0 HD21 LEU A 109 10.372 -2.472 -10.595 1.00 0.00 H new ATOM 0 HD22 LEU A 109 11.148 -1.668 -11.980 1.00 0.00 H new ATOM 0 HD23 LEU A 109 11.540 -1.157 -10.321 1.00 0.00 H new ATOM 1798 N GLU A 110 12.730 2.875 -12.280 1.00 0.00 N ATOM 1799 CA GLU A 110 13.189 4.047 -13.058 1.00 0.00 C ATOM 1800 C GLU A 110 12.749 3.912 -14.533 1.00 0.00 C ATOM 1801 O GLU A 110 12.932 4.835 -15.337 1.00 0.00 O ATOM 1802 CB GLU A 110 14.738 4.143 -12.948 1.00 0.00 C ATOM 1803 CG GLU A 110 15.495 2.935 -13.561 1.00 0.00 C ATOM 1804 CD GLU A 110 16.968 2.830 -13.124 1.00 0.00 C ATOM 1805 OE1 GLU A 110 17.760 3.738 -13.442 1.00 0.00 O ATOM 1806 OE2 GLU A 110 17.335 1.837 -12.456 1.00 0.00 O ATOM 0 H GLU A 110 13.306 2.046 -12.426 1.00 0.00 H new ATOM 0 HA GLU A 110 12.743 4.958 -12.659 1.00 0.00 H new ATOM 0 HB2 GLU A 110 15.070 5.055 -13.443 1.00 0.00 H new ATOM 0 HB3 GLU A 110 15.012 4.233 -11.897 1.00 0.00 H new ATOM 0 HG2 GLU A 110 14.978 2.017 -13.283 1.00 0.00 H new ATOM 0 HG3 GLU A 110 15.454 3.007 -14.648 1.00 0.00 H new ATOM 1813 N GLU A 111 12.128 2.758 -14.855 1.00 0.00 N ATOM 1814 CA GLU A 111 11.791 2.385 -16.240 1.00 0.00 C ATOM 1815 C GLU A 111 10.433 1.671 -16.293 1.00 0.00 C ATOM 1816 O GLU A 111 10.030 1.015 -15.317 1.00 0.00 O ATOM 1817 CB GLU A 111 12.918 1.481 -16.820 1.00 0.00 C ATOM 1818 CG GLU A 111 12.771 1.109 -18.305 1.00 0.00 C ATOM 1819 CD GLU A 111 12.699 2.340 -19.224 1.00 0.00 C ATOM 1820 OE1 GLU A 111 13.748 2.946 -19.508 1.00 0.00 O ATOM 1821 OE2 GLU A 111 11.588 2.726 -19.647 1.00 0.00 O ATOM 0 H GLU A 111 11.848 2.063 -14.163 1.00 0.00 H new ATOM 0 HA GLU A 111 11.714 3.287 -16.847 1.00 0.00 H new ATOM 0 HB2 GLU A 111 13.873 1.988 -16.684 1.00 0.00 H new ATOM 0 HB3 GLU A 111 12.959 0.562 -16.236 1.00 0.00 H new ATOM 0 HG2 GLU A 111 13.615 0.487 -18.604 1.00 0.00 H new ATOM 0 HG3 GLU A 111 11.870 0.510 -18.437 1.00 0.00 H new ATOM 1828 N MET A 112 9.709 1.833 -17.429 1.00 0.00 N ATOM 1829 CA MET A 112 8.460 1.124 -17.693 1.00 0.00 C ATOM 1830 C MET A 112 8.759 -0.365 -17.910 1.00 0.00 C ATOM 1831 O MET A 112 9.414 -0.766 -18.894 1.00 0.00 O ATOM 1832 CB MET A 112 7.728 1.702 -18.932 1.00 0.00 C ATOM 1833 CG MET A 112 6.555 0.835 -19.414 1.00 0.00 C ATOM 1834 SD MET A 112 5.573 1.589 -20.723 1.00 0.00 S ATOM 1835 CE MET A 112 4.591 2.740 -19.771 1.00 0.00 C ATOM 0 H MET A 112 9.987 2.464 -18.181 1.00 0.00 H new ATOM 0 HA MET A 112 7.804 1.251 -16.832 1.00 0.00 H new ATOM 0 HB2 MET A 112 7.358 2.699 -18.692 1.00 0.00 H new ATOM 0 HB3 MET A 112 8.444 1.815 -19.746 1.00 0.00 H new ATOM 0 HG2 MET A 112 6.944 -0.119 -19.770 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.905 0.618 -18.566 1.00 0.00 H new ATOM 0 HE1 MET A 112 4.573 3.706 -20.275 1.00 0.00 H new ATOM 0 HE2 MET A 112 3.574 2.360 -19.678 1.00 0.00 H new ATOM 0 HE3 MET A 112 5.027 2.857 -18.779 1.00 0.00 H new ATOM 1845 N THR A 113 8.266 -1.175 -16.992 1.00 0.00 N ATOM 1846 CA THR A 113 8.505 -2.606 -17.002 1.00 0.00 C ATOM 1847 C THR A 113 7.160 -3.267 -17.392 1.00 0.00 C ATOM 1848 O THR A 113 6.121 -2.588 -17.376 1.00 0.00 O ATOM 1849 CB THR A 113 8.994 -3.045 -15.578 1.00 0.00 C ATOM 1850 OG1 THR A 113 10.033 -2.150 -15.138 1.00 0.00 O ATOM 1851 CG2 THR A 113 9.536 -4.480 -15.551 1.00 0.00 C ATOM 0 H THR A 113 7.686 -0.858 -16.215 1.00 0.00 H new ATOM 0 HA THR A 113 9.277 -2.905 -17.711 1.00 0.00 H new ATOM 0 HB THR A 113 8.129 -3.006 -14.915 1.00 0.00 H new ATOM 0 HG1 THR A 113 10.341 -2.419 -14.247 1.00 0.00 H new ATOM 0 HG21 THR A 113 9.859 -4.728 -14.540 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.752 -5.171 -15.861 1.00 0.00 H new ATOM 0 HG23 THR A 113 10.382 -4.562 -16.233 1.00 0.00 H new ATOM 1859 N GLY A 114 7.149 -4.560 -17.748 1.00 0.00 N ATOM 1860 CA GLY A 114 5.886 -5.264 -17.965 1.00 0.00 C ATOM 1861 C GLY A 114 6.015 -6.768 -17.816 1.00 0.00 C ATOM 1862 O GLY A 114 6.960 -7.363 -18.314 1.00 0.00 O ATOM 0 H GLY A 114 7.985 -5.127 -17.889 1.00 0.00 H new ATOM 0 HA2 GLY A 114 5.144 -4.896 -17.256 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.514 -5.033 -18.963 1.00 0.00 H new ATOM 1866 N PHE A 115 5.045 -7.370 -17.128 1.00 0.00 N ATOM 1867 CA PHE A 115 5.036 -8.802 -16.792 1.00 0.00 C ATOM 1868 C PHE A 115 3.748 -9.441 -17.348 1.00 0.00 C ATOM 1869 O PHE A 115 2.780 -8.716 -17.613 1.00 0.00 O ATOM 1870 CB PHE A 115 5.081 -8.969 -15.243 1.00 0.00 C ATOM 1871 CG PHE A 115 6.127 -8.118 -14.505 1.00 0.00 C ATOM 1872 CD1 PHE A 115 5.841 -6.800 -14.134 1.00 0.00 C ATOM 1873 CD2 PHE A 115 7.374 -8.635 -14.167 1.00 0.00 C ATOM 1874 CE1 PHE A 115 6.770 -6.034 -13.453 1.00 0.00 C ATOM 1875 CE2 PHE A 115 8.302 -7.870 -13.486 1.00 0.00 C ATOM 1876 CZ PHE A 115 8.000 -6.572 -13.126 1.00 0.00 C ATOM 0 H PHE A 115 4.226 -6.871 -16.780 1.00 0.00 H new ATOM 0 HA PHE A 115 5.905 -9.292 -17.231 1.00 0.00 H new ATOM 0 HB2 PHE A 115 4.097 -8.727 -14.842 1.00 0.00 H new ATOM 0 HB3 PHE A 115 5.269 -10.018 -15.016 1.00 0.00 H new ATOM 0 HD1 PHE A 115 4.880 -6.374 -14.383 1.00 0.00 H new ATOM 0 HD2 PHE A 115 7.621 -9.650 -14.441 1.00 0.00 H new ATOM 0 HE1 PHE A 115 6.534 -5.017 -13.177 1.00 0.00 H new ATOM 0 HE2 PHE A 115 9.265 -8.289 -13.235 1.00 0.00 H new ATOM 0 HZ PHE A 115 8.724 -5.978 -12.589 1.00 0.00 H new ATOM 1886 N SER A 116 3.720 -10.787 -17.492 1.00 0.00 N ATOM 1887 CA SER A 116 2.449 -11.497 -17.781 1.00 0.00 C ATOM 1888 C SER A 116 2.584 -13.030 -17.582 1.00 0.00 C ATOM 1889 O SER A 116 3.684 -13.570 -17.341 1.00 0.00 O ATOM 1890 CB SER A 116 2.041 -11.214 -19.265 1.00 0.00 C ATOM 1891 OG SER A 116 0.753 -11.716 -19.581 1.00 0.00 O ATOM 0 H SER A 116 4.539 -11.391 -17.416 1.00 0.00 H new ATOM 0 HA SER A 116 1.692 -11.132 -17.087 1.00 0.00 H new ATOM 0 HB2 SER A 116 2.062 -10.139 -19.445 1.00 0.00 H new ATOM 0 HB3 SER A 116 2.776 -11.664 -19.932 1.00 0.00 H new ATOM 0 HG SER A 116 0.074 -11.210 -19.087 1.00 0.00 H new ATOM 1897 N LYS A 117 1.433 -13.713 -17.736 1.00 0.00 N ATOM 1898 CA LYS A 117 1.324 -15.179 -17.754 1.00 0.00 C ATOM 1899 C LYS A 117 1.403 -15.701 -19.211 1.00 0.00 C ATOM 1900 O LYS A 117 1.548 -16.907 -19.441 1.00 0.00 O ATOM 1901 CB LYS A 117 -0.021 -15.592 -17.097 1.00 0.00 C ATOM 1902 CG LYS A 117 -0.236 -15.034 -15.664 1.00 0.00 C ATOM 1903 CD LYS A 117 0.586 -15.766 -14.578 1.00 0.00 C ATOM 1904 CE LYS A 117 0.151 -17.228 -14.394 1.00 0.00 C ATOM 1905 NZ LYS A 117 0.829 -17.867 -13.242 1.00 0.00 N ATOM 0 H LYS A 117 0.534 -13.247 -17.854 1.00 0.00 H new ATOM 0 HA LYS A 117 2.149 -15.618 -17.192 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -0.840 -15.253 -17.732 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -0.074 -16.680 -17.061 1.00 0.00 H new ATOM 0 HG2 LYS A 117 0.026 -13.976 -15.653 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -1.294 -15.102 -15.413 1.00 0.00 H new ATOM 0 HD2 LYS A 117 1.642 -15.736 -14.845 1.00 0.00 H new ATOM 0 HD3 LYS A 117 0.481 -15.238 -13.630 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -0.928 -17.270 -14.248 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.372 -17.789 -15.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 0.508 -18.852 -13.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.858 -17.851 -13.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.598 -17.347 -12.371 1.00 0.00 H new ATOM 1919 N THR A 118 1.315 -14.762 -20.176 1.00 0.00 N ATOM 1920 CA THR A 118 1.341 -15.040 -21.620 1.00 0.00 C ATOM 1921 C THR A 118 2.541 -14.313 -22.254 1.00 0.00 C ATOM 1922 O THR A 118 2.921 -13.232 -21.795 1.00 0.00 O ATOM 1923 CB THR A 118 -0.005 -14.599 -22.302 1.00 0.00 C ATOM 1924 OG1 THR A 118 -0.408 -13.305 -21.817 1.00 0.00 O ATOM 1925 CG2 THR A 118 -1.145 -15.600 -22.053 1.00 0.00 C ATOM 0 H THR A 118 1.222 -13.769 -19.964 1.00 0.00 H new ATOM 0 HA THR A 118 1.449 -16.113 -21.775 1.00 0.00 H new ATOM 0 HB THR A 118 0.185 -14.561 -23.375 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.032 -12.897 -22.453 1.00 0.00 H new ATOM 0 HG21 THR A 118 -2.052 -15.248 -22.545 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.868 -16.574 -22.456 1.00 0.00 H new ATOM 0 HG23 THR A 118 -1.325 -15.688 -20.981 1.00 0.00 H new ATOM 1933 N THR A 119 3.124 -14.914 -23.307 1.00 0.00 N ATOM 1934 CA THR A 119 4.413 -14.478 -23.877 1.00 0.00 C ATOM 1935 C THR A 119 4.284 -13.198 -24.738 1.00 0.00 C ATOM 1936 O THR A 119 3.273 -12.984 -25.411 1.00 0.00 O ATOM 1937 CB THR A 119 5.082 -15.646 -24.688 1.00 0.00 C ATOM 1938 OG1 THR A 119 6.393 -15.263 -25.134 1.00 0.00 O ATOM 1939 CG2 THR A 119 4.245 -16.108 -25.895 1.00 0.00 C ATOM 0 H THR A 119 2.715 -15.716 -23.787 1.00 0.00 H new ATOM 0 HA THR A 119 5.061 -14.219 -23.040 1.00 0.00 H new ATOM 0 HB THR A 119 5.150 -16.489 -24.001 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.797 -16.002 -25.636 1.00 0.00 H new ATOM 0 HG21 THR A 119 4.765 -16.916 -26.410 1.00 0.00 H new ATOM 0 HG22 THR A 119 3.274 -16.463 -25.550 1.00 0.00 H new ATOM 0 HG23 THR A 119 4.103 -15.273 -26.581 1.00 0.00 H new ATOM 1947 N PHE A 120 5.326 -12.349 -24.673 1.00 0.00 N ATOM 1948 CA PHE A 120 5.420 -11.081 -25.412 1.00 0.00 C ATOM 1949 C PHE A 120 6.908 -10.675 -25.541 1.00 0.00 C ATOM 1950 O PHE A 120 7.369 -10.405 -26.664 1.00 0.00 O ATOM 1951 CB PHE A 120 4.579 -9.962 -24.727 1.00 0.00 C ATOM 1952 CG PHE A 120 4.976 -9.622 -23.287 1.00 0.00 C ATOM 1953 CD1 PHE A 120 4.747 -10.522 -22.252 1.00 0.00 C ATOM 1954 CD2 PHE A 120 5.602 -8.417 -22.982 1.00 0.00 C ATOM 1955 CE1 PHE A 120 5.128 -10.232 -20.966 1.00 0.00 C ATOM 1956 CE2 PHE A 120 5.988 -8.128 -21.692 1.00 0.00 C ATOM 1957 CZ PHE A 120 5.749 -9.040 -20.682 1.00 0.00 C ATOM 1958 OXT PHE A 120 7.628 -10.691 -24.516 1.00 0.00 O ATOM 0 H PHE A 120 6.144 -12.532 -24.091 1.00 0.00 H new ATOM 0 HA PHE A 120 5.004 -11.218 -26.410 1.00 0.00 H new ATOM 0 HB2 PHE A 120 4.654 -9.056 -25.329 1.00 0.00 H new ATOM 0 HB3 PHE A 120 3.532 -10.264 -24.734 1.00 0.00 H new ATOM 0 HD1 PHE A 120 4.262 -11.463 -22.463 1.00 0.00 H new ATOM 0 HD2 PHE A 120 5.788 -7.699 -23.767 1.00 0.00 H new ATOM 0 HE1 PHE A 120 4.939 -10.943 -20.175 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.476 -7.191 -21.470 1.00 0.00 H new ATOM 0 HZ PHE A 120 6.050 -8.816 -19.669 1.00 0.00 H new