USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 863 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 59 SER OG : rot 180:sc= 0.502 USER MOD Set 1.2: A 103 THR OG1 : rot -75:sc= 0.548 USER MOD Set 2.1: A 5 LYS NZ :NH3+ 178:sc= 0.772 (180deg=0) USER MOD Set 2.2: A 24 GLN : amide:sc= 0.683 K(o=1.5,f=-1.6) USER MOD Set 3.1: A 13 THR OG1 : rot -68:sc= 0.669 USER MOD Set 3.2: A 18 THR OG1 : rot 180:sc= 0.603 USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.115 K(o=-0.11,f=-1.1) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -177:sc= 0.869 (180deg=0.863) USER MOD Single : A 36 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0272) USER MOD Single : A 38 LYS NZ :NH3+ 171:sc= 0.763 (180deg=0.705) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0586 K(o=-0.059,f=-1.7!) USER MOD Single : A 45 MET CE :methyl 161:sc= -0.0475 (180deg=-0.399) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.413 K(o=-0.41,f=-1.9) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 174:sc= 0.91 (180deg=0.879) USER MOD Single : A 82 ASN : amide:sc= 0.686 K(o=0.69,f=-6!) USER MOD Single : A 83 LYS NZ :NH3+ -178:sc= 0.671 (180deg=0.67) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.0266 X(o=-0.027,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.248 K(o=-0.25,f=-1.3!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 61:sc= 0.688 USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 5 13.593 9.281 1.025 1.00 0.00 N ATOM 61 CA LYS A 5 12.477 8.955 1.926 1.00 0.00 C ATOM 62 C LYS A 5 11.151 9.145 1.172 1.00 0.00 C ATOM 63 O LYS A 5 10.962 10.152 0.479 1.00 0.00 O ATOM 64 CB LYS A 5 12.513 9.825 3.184 1.00 0.00 C ATOM 65 CG LYS A 5 11.494 9.437 4.246 1.00 0.00 C ATOM 66 CD LYS A 5 11.748 10.175 5.552 1.00 0.00 C ATOM 67 CE LYS A 5 11.123 11.563 5.536 1.00 0.00 C ATOM 68 NZ LYS A 5 11.145 12.199 6.881 1.00 0.00 N ATOM 0 HA LYS A 5 12.568 7.917 2.245 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.511 9.772 3.619 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.344 10.863 2.898 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.489 9.662 3.888 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.537 8.362 4.419 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.339 9.600 6.382 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.821 10.260 5.721 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.660 12.194 4.828 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.094 11.493 5.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.741 13.155 6.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.583 11.628 7.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.126 12.259 7.221 1.00 0.00 H new ATOM 82 N VAL A 6 10.264 8.165 1.284 1.00 0.00 N ATOM 83 CA VAL A 6 8.915 8.231 0.690 1.00 0.00 C ATOM 84 C VAL A 6 7.872 7.986 1.791 1.00 0.00 C ATOM 85 O VAL A 6 8.072 7.140 2.672 1.00 0.00 O ATOM 86 CB VAL A 6 8.726 7.200 -0.439 1.00 0.00 C ATOM 87 CG1 VAL A 6 9.170 5.819 0.020 1.00 0.00 C ATOM 88 CG2 VAL A 6 7.275 7.168 -0.894 1.00 0.00 C ATOM 0 H VAL A 6 10.450 7.297 1.787 1.00 0.00 H new ATOM 0 HA VAL A 6 8.787 9.221 0.252 1.00 0.00 H new ATOM 0 HB VAL A 6 9.346 7.498 -1.284 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.029 5.104 -0.790 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.223 5.849 0.298 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.576 5.513 0.881 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.160 6.434 -1.692 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.636 6.894 -0.054 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.987 8.153 -1.262 1.00 0.00 H new ATOM 98 N GLU A 7 6.769 8.741 1.748 1.00 0.00 N ATOM 99 CA GLU A 7 5.663 8.593 2.698 1.00 0.00 C ATOM 100 C GLU A 7 4.496 7.868 2.010 1.00 0.00 C ATOM 101 O GLU A 7 4.103 8.201 0.887 1.00 0.00 O ATOM 102 CB GLU A 7 5.215 9.955 3.230 1.00 0.00 C ATOM 103 CG GLU A 7 6.223 10.636 4.146 1.00 0.00 C ATOM 104 CD GLU A 7 5.667 11.910 4.718 1.00 0.00 C ATOM 105 OE1 GLU A 7 4.551 12.245 4.401 1.00 0.00 O ATOM 106 OE2 GLU A 7 6.313 12.491 5.559 1.00 0.00 O ATOM 0 H GLU A 7 6.619 9.472 1.053 1.00 0.00 H new ATOM 0 HA GLU A 7 6.002 8.002 3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.009 10.612 2.385 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.277 9.829 3.772 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.496 9.960 4.956 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.135 10.852 3.590 1.00 0.00 H new ATOM 113 N VAL A 8 3.965 6.857 2.716 1.00 0.00 N ATOM 114 CA VAL A 8 2.892 5.969 2.240 1.00 0.00 C ATOM 115 C VAL A 8 1.676 6.059 3.179 1.00 0.00 C ATOM 116 O VAL A 8 1.791 5.779 4.376 1.00 0.00 O ATOM 117 CB VAL A 8 3.358 4.504 2.149 1.00 0.00 C ATOM 118 CG1 VAL A 8 2.210 3.604 1.715 1.00 0.00 C ATOM 119 CG2 VAL A 8 4.527 4.376 1.185 1.00 0.00 C ATOM 0 H VAL A 8 4.279 6.628 3.659 1.00 0.00 H new ATOM 0 HA VAL A 8 2.616 6.300 1.239 1.00 0.00 H new ATOM 0 HB VAL A 8 3.689 4.187 3.138 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.558 2.573 1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.400 3.673 2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.849 3.921 0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.843 3.334 1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.220 4.712 0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.357 4.990 1.536 1.00 0.00 H new ATOM 129 N GLN A 9 0.520 6.456 2.628 1.00 0.00 N ATOM 130 CA GLN A 9 -0.733 6.580 3.391 1.00 0.00 C ATOM 131 C GLN A 9 -1.625 5.376 3.063 1.00 0.00 C ATOM 132 O GLN A 9 -1.963 5.154 1.903 1.00 0.00 O ATOM 133 CB GLN A 9 -1.459 7.887 3.057 1.00 0.00 C ATOM 134 CG GLN A 9 -2.738 8.107 3.846 1.00 0.00 C ATOM 135 CD GLN A 9 -3.364 9.461 3.568 1.00 0.00 C ATOM 136 OE1 GLN A 9 -2.793 10.288 2.853 1.00 0.00 O ATOM 137 NE2 GLN A 9 -4.541 9.695 4.138 1.00 0.00 N ATOM 0 H GLN A 9 0.426 6.700 1.642 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.504 6.598 4.456 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.783 8.722 3.241 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.695 7.897 1.993 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.453 7.322 3.600 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.524 8.021 4.911 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -4.976 8.981 4.722 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -5.010 10.589 3.992 1.00 0.00 H new ATOM 146 N VAL A 10 -1.986 4.588 4.089 1.00 0.00 N ATOM 147 CA VAL A 10 -2.852 3.405 3.922 1.00 0.00 C ATOM 148 C VAL A 10 -4.216 3.687 4.565 1.00 0.00 C ATOM 149 O VAL A 10 -4.282 3.972 5.761 1.00 0.00 O ATOM 150 CB VAL A 10 -2.238 2.141 4.552 1.00 0.00 C ATOM 151 CG1 VAL A 10 -3.179 0.955 4.390 1.00 0.00 C ATOM 152 CG2 VAL A 10 -0.887 1.835 3.926 1.00 0.00 C ATOM 0 H VAL A 10 -1.689 4.750 5.051 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.961 3.218 2.854 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.091 2.324 5.616 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.730 0.070 4.841 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.126 1.172 4.883 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.355 0.773 3.330 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.469 0.939 4.384 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.011 1.672 2.855 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.212 2.675 4.089 1.00 0.00 H new ATOM 162 N LYS A 11 -5.293 3.648 3.757 1.00 0.00 N ATOM 163 CA LYS A 11 -6.663 3.926 4.220 1.00 0.00 C ATOM 164 C LYS A 11 -7.536 2.695 3.922 1.00 0.00 C ATOM 165 O LYS A 11 -7.686 2.317 2.767 1.00 0.00 O ATOM 166 CB LYS A 11 -7.235 5.174 3.545 1.00 0.00 C ATOM 167 CG LYS A 11 -8.641 5.545 3.997 1.00 0.00 C ATOM 168 CD LYS A 11 -9.139 6.793 3.284 1.00 0.00 C ATOM 169 CE LYS A 11 -10.504 7.220 3.805 1.00 0.00 C ATOM 170 NZ LYS A 11 -10.980 8.473 3.158 1.00 0.00 N ATOM 0 H LYS A 11 -5.236 3.422 2.764 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.650 4.122 5.292 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.570 6.015 3.740 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.243 5.018 2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.320 4.715 3.799 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.647 5.712 5.074 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.424 7.604 3.424 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.200 6.603 2.212 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.226 6.423 3.627 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.451 7.366 4.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.913 8.729 3.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.305 9.241 3.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.056 8.326 2.131 1.00 0.00 H new ATOM 184 N ILE A 12 -8.109 2.077 4.960 1.00 0.00 N ATOM 185 CA ILE A 12 -8.934 0.858 4.815 1.00 0.00 C ATOM 186 C ILE A 12 -10.311 1.040 5.484 1.00 0.00 C ATOM 187 O ILE A 12 -10.408 1.550 6.594 1.00 0.00 O ATOM 188 CB ILE A 12 -8.238 -0.375 5.421 1.00 0.00 C ATOM 189 CG1 ILE A 12 -9.118 -1.617 5.260 1.00 0.00 C ATOM 190 CG2 ILE A 12 -7.916 -0.134 6.888 1.00 0.00 C ATOM 191 CD1 ILE A 12 -8.402 -2.915 5.559 1.00 0.00 C ATOM 0 H ILE A 12 -8.019 2.400 5.923 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.069 0.694 3.746 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.303 -0.544 4.887 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.980 -1.528 5.921 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.500 -1.650 4.240 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.424 -1.014 7.302 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.254 0.727 6.979 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.838 0.058 7.436 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.090 -3.750 5.423 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.556 -3.028 4.881 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.044 -2.904 6.588 1.00 0.00 H new ATOM 203 N THR A 13 -11.379 0.626 4.780 1.00 0.00 N ATOM 204 CA THR A 13 -12.741 0.597 5.327 1.00 0.00 C ATOM 205 C THR A 13 -13.116 -0.859 5.696 1.00 0.00 C ATOM 206 O THR A 13 -12.966 -1.775 4.878 1.00 0.00 O ATOM 207 CB THR A 13 -13.771 1.161 4.331 1.00 0.00 C ATOM 208 OG1 THR A 13 -13.456 2.530 4.038 1.00 0.00 O ATOM 209 CG2 THR A 13 -15.175 1.081 4.912 1.00 0.00 C ATOM 0 H THR A 13 -11.319 0.302 3.815 1.00 0.00 H new ATOM 0 HA THR A 13 -12.760 1.228 6.216 1.00 0.00 H new ATOM 0 HB THR A 13 -13.733 0.568 3.417 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.605 3.078 4.837 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.889 1.484 4.194 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.422 0.041 5.125 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.221 1.661 5.834 1.00 0.00 H new ATOM 217 N CYS A 14 -13.564 -1.046 6.950 1.00 0.00 N ATOM 218 CA CYS A 14 -13.846 -2.366 7.549 1.00 0.00 C ATOM 219 C CYS A 14 -14.971 -2.247 8.590 1.00 0.00 C ATOM 220 O CYS A 14 -14.861 -1.451 9.535 1.00 0.00 O ATOM 221 CB CYS A 14 -12.581 -2.935 8.224 1.00 0.00 C ATOM 222 SG CYS A 14 -12.849 -4.491 9.152 1.00 0.00 S ATOM 0 H CYS A 14 -13.744 -0.271 7.588 1.00 0.00 H new ATOM 0 HA CYS A 14 -14.159 -3.042 6.753 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -11.824 -3.109 7.460 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.180 -2.185 8.906 1.00 0.00 H new ATOM 227 N ASN A 15 -16.061 -3.026 8.383 1.00 0.00 N ATOM 228 CA ASN A 15 -17.229 -3.103 9.302 1.00 0.00 C ATOM 229 C ASN A 15 -17.862 -1.700 9.494 1.00 0.00 C ATOM 230 O ASN A 15 -18.352 -1.352 10.580 1.00 0.00 O ATOM 231 CB ASN A 15 -16.846 -3.699 10.645 1.00 0.00 C ATOM 232 CG ASN A 15 -18.017 -4.223 11.429 1.00 0.00 C ATOM 233 OD1 ASN A 15 -19.026 -4.657 10.862 1.00 0.00 O ATOM 234 ND2 ASN A 15 -17.922 -4.109 12.729 1.00 0.00 N ATOM 0 H ASN A 15 -16.157 -3.627 7.564 1.00 0.00 H new ATOM 0 HA ASN A 15 -17.966 -3.763 8.844 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -16.136 -4.510 10.484 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -16.334 -2.940 11.237 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -18.704 -4.385 13.324 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -17.066 -3.745 13.148 1.00 0.00 H new ATOM 241 N GLY A 16 -17.832 -0.899 8.407 1.00 0.00 N ATOM 242 CA GLY A 16 -18.414 0.448 8.387 1.00 0.00 C ATOM 243 C GLY A 16 -17.519 1.525 8.985 1.00 0.00 C ATOM 244 O GLY A 16 -17.903 2.698 9.025 1.00 0.00 O ATOM 0 H GLY A 16 -17.403 -1.173 7.523 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.646 0.716 7.356 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -19.358 0.432 8.932 1.00 0.00 H new ATOM 248 N LYS A 17 -16.337 1.128 9.481 1.00 0.00 N ATOM 249 CA LYS A 17 -15.374 2.039 10.117 1.00 0.00 C ATOM 250 C LYS A 17 -14.090 2.102 9.285 1.00 0.00 C ATOM 251 O LYS A 17 -13.553 1.069 8.888 1.00 0.00 O ATOM 252 CB LYS A 17 -15.060 1.593 11.546 1.00 0.00 C ATOM 253 CG LYS A 17 -14.056 2.477 12.274 1.00 0.00 C ATOM 254 CD LYS A 17 -14.672 3.815 12.658 1.00 0.00 C ATOM 255 CE LYS A 17 -13.741 4.617 13.554 1.00 0.00 C ATOM 256 NZ LYS A 17 -14.251 5.995 13.794 1.00 0.00 N ATOM 0 H LYS A 17 -16.021 0.159 9.452 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.818 3.033 10.165 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -15.987 1.569 12.118 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -14.676 0.573 11.519 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.702 1.967 13.170 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.187 2.644 11.638 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -14.895 4.387 11.757 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -15.619 3.648 13.171 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.623 4.103 14.508 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.753 4.670 13.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.588 6.508 14.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -14.340 6.495 12.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -15.182 5.945 14.254 1.00 0.00 H new ATOM 270 N THR A 18 -13.628 3.325 9.004 1.00 0.00 N ATOM 271 CA THR A 18 -12.453 3.571 8.160 1.00 0.00 C ATOM 272 C THR A 18 -11.249 3.908 9.061 1.00 0.00 C ATOM 273 O THR A 18 -11.326 4.794 9.923 1.00 0.00 O ATOM 274 CB THR A 18 -12.692 4.717 7.159 1.00 0.00 C ATOM 275 OG1 THR A 18 -13.772 4.372 6.282 1.00 0.00 O ATOM 276 CG2 THR A 18 -11.440 4.975 6.336 1.00 0.00 C ATOM 0 H THR A 18 -14.061 4.178 9.358 1.00 0.00 H new ATOM 0 HA THR A 18 -12.255 2.669 7.581 1.00 0.00 H new ATOM 0 HB THR A 18 -12.941 5.620 7.717 1.00 0.00 H new ATOM 0 HG1 THR A 18 -13.924 5.103 5.647 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.627 5.788 5.634 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.619 5.249 6.999 1.00 0.00 H new ATOM 0 HG23 THR A 18 -11.175 4.073 5.784 1.00 0.00 H new ATOM 284 N TYR A 19 -10.150 3.176 8.857 1.00 0.00 N ATOM 285 CA TYR A 19 -8.895 3.331 9.609 1.00 0.00 C ATOM 286 C TYR A 19 -7.804 3.771 8.626 1.00 0.00 C ATOM 287 O TYR A 19 -7.640 3.139 7.574 1.00 0.00 O ATOM 288 CB TYR A 19 -8.497 1.975 10.263 1.00 0.00 C ATOM 289 CG TYR A 19 -9.532 1.379 11.228 1.00 0.00 C ATOM 290 CD1 TYR A 19 -10.599 0.601 10.754 1.00 0.00 C ATOM 291 CD2 TYR A 19 -9.442 1.570 12.610 1.00 0.00 C ATOM 292 CE1 TYR A 19 -11.537 0.063 11.607 1.00 0.00 C ATOM 293 CE2 TYR A 19 -10.385 1.027 13.471 1.00 0.00 C ATOM 294 CZ TYR A 19 -11.423 0.262 12.962 1.00 0.00 C ATOM 295 OH TYR A 19 -12.369 -0.282 13.809 1.00 0.00 O ATOM 0 H TYR A 19 -10.104 2.442 8.150 1.00 0.00 H new ATOM 0 HA TYR A 19 -9.018 4.073 10.398 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.306 1.251 9.471 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.560 2.113 10.802 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -10.687 0.419 9.693 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.625 2.150 13.014 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -12.360 -0.514 11.212 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.311 1.200 14.534 1.00 0.00 H new ATOM 0 HH TYR A 19 -12.148 -0.053 14.736 1.00 0.00 H new ATOM 305 N GLU A 20 -7.082 4.859 8.938 1.00 0.00 N ATOM 306 CA GLU A 20 -6.008 5.375 8.067 1.00 0.00 C ATOM 307 C GLU A 20 -4.789 5.823 8.882 1.00 0.00 C ATOM 308 O GLU A 20 -4.932 6.317 10.006 1.00 0.00 O ATOM 309 CB GLU A 20 -6.520 6.538 7.214 1.00 0.00 C ATOM 310 CG GLU A 20 -6.982 7.748 8.013 1.00 0.00 C ATOM 311 CD GLU A 20 -7.460 8.850 7.108 1.00 0.00 C ATOM 312 OE1 GLU A 20 -7.447 8.661 5.916 1.00 0.00 O ATOM 313 OE2 GLU A 20 -7.945 9.836 7.612 1.00 0.00 O ATOM 0 H GLU A 20 -7.222 5.402 9.790 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.698 4.560 7.413 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.728 6.849 6.532 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.349 6.185 6.600 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.786 7.455 8.689 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.162 8.113 8.632 1.00 0.00 H new ATOM 320 N ARG A 21 -3.596 5.610 8.299 1.00 0.00 N ATOM 321 CA ARG A 21 -2.310 6.003 8.896 1.00 0.00 C ATOM 322 C ARG A 21 -1.273 6.228 7.782 1.00 0.00 C ATOM 323 O ARG A 21 -1.234 5.481 6.798 1.00 0.00 O ATOM 324 CB ARG A 21 -1.819 5.008 9.937 1.00 0.00 C ATOM 325 CG ARG A 21 -0.602 5.459 10.729 1.00 0.00 C ATOM 326 CD ARG A 21 -0.234 4.560 11.852 1.00 0.00 C ATOM 327 NE ARG A 21 0.983 4.938 12.553 1.00 0.00 N ATOM 328 CZ ARG A 21 1.328 4.498 13.779 1.00 0.00 C ATOM 329 NH1 ARG A 21 0.537 3.697 14.458 1.00 0.00 N ATOM 330 NH2 ARG A 21 2.473 4.912 14.292 1.00 0.00 N ATOM 0 H ARG A 21 -3.498 5.156 7.391 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.458 6.939 9.434 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.632 4.802 10.633 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.582 4.069 9.437 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.248 5.540 10.051 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.791 6.457 11.125 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.057 4.536 12.566 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.117 3.547 11.467 1.00 0.00 H new ATOM 0 HE ARG A 21 1.620 5.581 12.084 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.353 3.400 14.058 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.813 3.373 15.385 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.069 5.548 13.762 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.761 4.596 15.218 1.00 0.00 H new ATOM 344 N THR A 22 -0.456 7.275 7.955 1.00 0.00 N ATOM 345 CA THR A 22 0.655 7.610 7.066 1.00 0.00 C ATOM 346 C THR A 22 1.980 7.114 7.689 1.00 0.00 C ATOM 347 O THR A 22 2.229 7.333 8.881 1.00 0.00 O ATOM 348 CB THR A 22 0.736 9.125 6.800 1.00 0.00 C ATOM 349 OG1 THR A 22 -0.474 9.568 6.170 1.00 0.00 O ATOM 350 CG2 THR A 22 1.919 9.445 5.900 1.00 0.00 C ATOM 0 H THR A 22 -0.554 7.925 8.735 1.00 0.00 H new ATOM 0 HA THR A 22 0.484 7.116 6.110 1.00 0.00 H new ATOM 0 HB THR A 22 0.867 9.640 7.752 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.422 10.532 6.003 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.961 10.520 5.723 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.841 9.121 6.382 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.804 8.924 4.949 1.00 0.00 H new ATOM 358 N TYR A 23 2.806 6.429 6.883 1.00 0.00 N ATOM 359 CA TYR A 23 4.084 5.838 7.326 1.00 0.00 C ATOM 360 C TYR A 23 5.243 6.458 6.536 1.00 0.00 C ATOM 361 O TYR A 23 5.084 6.778 5.357 1.00 0.00 O ATOM 362 CB TYR A 23 4.064 4.298 7.124 1.00 0.00 C ATOM 363 CG TYR A 23 2.869 3.600 7.791 1.00 0.00 C ATOM 364 CD1 TYR A 23 1.605 3.587 7.185 1.00 0.00 C ATOM 365 CD2 TYR A 23 2.998 2.963 9.030 1.00 0.00 C ATOM 366 CE1 TYR A 23 0.529 2.961 7.785 1.00 0.00 C ATOM 367 CE2 TYR A 23 1.920 2.337 9.627 1.00 0.00 C ATOM 368 CZ TYR A 23 0.690 2.343 9.001 1.00 0.00 C ATOM 369 OH TYR A 23 -0.385 1.724 9.598 1.00 0.00 O ATOM 0 H TYR A 23 2.606 6.267 5.896 1.00 0.00 H new ATOM 0 HA TYR A 23 4.222 6.048 8.387 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.049 4.081 6.056 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.987 3.877 7.522 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.470 4.075 6.231 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.956 2.960 9.528 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.436 2.958 7.299 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.040 1.845 10.581 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.105 1.334 10.452 1.00 0.00 H new ATOM 379 N GLN A 24 6.403 6.610 7.188 1.00 0.00 N ATOM 380 CA GLN A 24 7.625 7.110 6.534 1.00 0.00 C ATOM 381 C GLN A 24 8.531 5.908 6.270 1.00 0.00 C ATOM 382 O GLN A 24 8.900 5.189 7.206 1.00 0.00 O ATOM 383 CB GLN A 24 8.348 8.145 7.400 1.00 0.00 C ATOM 384 CG GLN A 24 7.511 9.368 7.735 1.00 0.00 C ATOM 385 CD GLN A 24 8.296 10.413 8.505 1.00 0.00 C ATOM 386 OE1 GLN A 24 9.530 10.379 8.545 1.00 0.00 O ATOM 387 NE2 GLN A 24 7.585 11.346 9.128 1.00 0.00 N ATOM 0 H GLN A 24 6.524 6.392 8.177 1.00 0.00 H new ATOM 0 HA GLN A 24 7.362 7.611 5.602 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.664 7.669 8.328 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.252 8.467 6.883 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.132 9.809 6.813 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.645 9.062 8.322 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.567 11.336 9.068 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.057 12.072 9.666 1.00 0.00 H new ATOM 396 N LEU A 25 8.866 5.681 4.999 1.00 0.00 N ATOM 397 CA LEU A 25 9.708 4.559 4.576 1.00 0.00 C ATOM 398 C LEU A 25 11.037 5.103 4.039 1.00 0.00 C ATOM 399 O LEU A 25 11.060 5.899 3.091 1.00 0.00 O ATOM 400 CB LEU A 25 8.993 3.710 3.516 1.00 0.00 C ATOM 401 CG LEU A 25 7.668 3.082 3.967 1.00 0.00 C ATOM 402 CD1 LEU A 25 7.065 2.266 2.832 1.00 0.00 C ATOM 403 CD2 LEU A 25 7.909 2.211 5.191 1.00 0.00 C ATOM 0 H LEU A 25 8.559 6.274 4.228 1.00 0.00 H new ATOM 0 HA LEU A 25 9.906 3.913 5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.802 4.333 2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.665 2.913 3.198 1.00 0.00 H new ATOM 0 HG LEU A 25 6.963 3.870 4.232 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.125 1.824 3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.881 2.915 1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.757 1.474 2.545 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.967 1.765 5.511 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.618 1.422 4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.314 2.822 5.998 1.00 0.00 H new ATOM 415 N TYR A 26 12.136 4.721 4.710 1.00 0.00 N ATOM 416 CA TYR A 26 13.506 4.985 4.249 1.00 0.00 C ATOM 417 C TYR A 26 14.257 3.654 4.078 1.00 0.00 C ATOM 418 O TYR A 26 14.318 2.847 5.010 1.00 0.00 O ATOM 419 CB TYR A 26 14.246 5.897 5.230 1.00 0.00 C ATOM 420 CG TYR A 26 15.591 6.373 4.728 1.00 0.00 C ATOM 421 CD1 TYR A 26 15.693 7.480 3.900 1.00 0.00 C ATOM 422 CD2 TYR A 26 16.758 5.713 5.087 1.00 0.00 C ATOM 423 CE1 TYR A 26 16.919 7.920 3.439 1.00 0.00 C ATOM 424 CE2 TYR A 26 17.989 6.142 4.633 1.00 0.00 C ATOM 425 CZ TYR A 26 18.066 7.247 3.809 1.00 0.00 C ATOM 426 OH TYR A 26 19.291 7.680 3.353 1.00 0.00 O ATOM 0 H TYR A 26 12.096 4.216 5.595 1.00 0.00 H new ATOM 0 HA TYR A 26 13.461 5.497 3.288 1.00 0.00 H new ATOM 0 HB2 TYR A 26 13.622 6.764 5.446 1.00 0.00 H new ATOM 0 HB3 TYR A 26 14.388 5.364 6.170 1.00 0.00 H new ATOM 0 HD1 TYR A 26 14.797 8.009 3.610 1.00 0.00 H new ATOM 0 HD2 TYR A 26 16.702 4.849 5.733 1.00 0.00 H new ATOM 0 HE1 TYR A 26 16.979 8.784 2.794 1.00 0.00 H new ATOM 0 HE2 TYR A 26 18.887 5.616 4.921 1.00 0.00 H new ATOM 0 HH TYR A 26 19.996 7.098 3.706 1.00 0.00 H new ATOM 436 N ALA A 27 14.855 3.463 2.896 1.00 0.00 N ATOM 437 CA ALA A 27 15.443 2.187 2.464 1.00 0.00 C ATOM 438 C ALA A 27 16.697 2.463 1.637 1.00 0.00 C ATOM 439 O ALA A 27 16.879 3.578 1.145 1.00 0.00 O ATOM 440 CB ALA A 27 14.421 1.398 1.633 1.00 0.00 C ATOM 0 H ALA A 27 14.946 4.203 2.200 1.00 0.00 H new ATOM 0 HA ALA A 27 15.714 1.594 3.338 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.862 0.453 1.315 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.536 1.200 2.237 1.00 0.00 H new ATOM 0 HB3 ALA A 27 14.139 1.980 0.756 1.00 0.00 H new ATOM 446 N VAL A 28 17.563 1.447 1.490 1.00 0.00 N ATOM 447 CA VAL A 28 18.721 1.524 0.584 1.00 0.00 C ATOM 448 C VAL A 28 18.320 0.898 -0.771 1.00 0.00 C ATOM 449 O VAL A 28 18.432 1.543 -1.816 1.00 0.00 O ATOM 450 CB VAL A 28 19.955 0.797 1.151 1.00 0.00 C ATOM 451 CG1 VAL A 28 21.107 0.851 0.159 1.00 0.00 C ATOM 452 CG2 VAL A 28 20.369 1.409 2.480 1.00 0.00 C ATOM 0 H VAL A 28 17.483 0.561 1.988 1.00 0.00 H new ATOM 0 HA VAL A 28 18.997 2.572 0.464 1.00 0.00 H new ATOM 0 HB VAL A 28 19.693 -0.248 1.319 1.00 0.00 H new ATOM 0 HG11 VAL A 28 21.971 0.333 0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 28 20.809 0.369 -0.772 1.00 0.00 H new ATOM 0 HG13 VAL A 28 21.368 1.891 -0.039 1.00 0.00 H new ATOM 0 HG21 VAL A 28 21.242 0.883 2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 28 20.613 2.461 2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 28 19.548 1.322 3.192 1.00 0.00 H new ATOM 462 N ARG A 29 17.799 -0.338 -0.740 1.00 0.00 N ATOM 463 CA ARG A 29 17.412 -1.071 -1.966 1.00 0.00 C ATOM 464 C ARG A 29 15.884 -1.038 -2.157 1.00 0.00 C ATOM 465 O ARG A 29 15.123 -0.925 -1.190 1.00 0.00 O ATOM 466 CB ARG A 29 17.949 -2.495 -1.984 1.00 0.00 C ATOM 467 CG ARG A 29 19.462 -2.608 -2.070 1.00 0.00 C ATOM 468 CD ARG A 29 20.000 -3.941 -1.697 1.00 0.00 C ATOM 469 NE ARG A 29 19.822 -4.292 -0.297 1.00 0.00 N ATOM 470 CZ ARG A 29 20.088 -5.504 0.227 1.00 0.00 C ATOM 471 NH1 ARG A 29 20.508 -6.492 -0.531 1.00 0.00 N ATOM 472 NH2 ARG A 29 19.895 -5.680 1.523 1.00 0.00 N ATOM 0 H ARG A 29 17.634 -0.857 0.122 1.00 0.00 H new ATOM 0 HA ARG A 29 17.873 -0.560 -2.811 1.00 0.00 H new ATOM 0 HB2 ARG A 29 17.612 -3.006 -1.082 1.00 0.00 H new ATOM 0 HB3 ARG A 29 17.511 -3.022 -2.832 1.00 0.00 H new ATOM 0 HG2 ARG A 29 19.774 -2.376 -3.088 1.00 0.00 H new ATOM 0 HG3 ARG A 29 19.908 -1.855 -1.420 1.00 0.00 H new ATOM 0 HD2 ARG A 29 19.517 -4.699 -2.313 1.00 0.00 H new ATOM 0 HD3 ARG A 29 21.064 -3.969 -1.933 1.00 0.00 H new ATOM 0 HE ARG A 29 19.471 -3.570 0.332 1.00 0.00 H new ATOM 0 HH11 ARG A 29 20.637 -6.347 -1.532 1.00 0.00 H new ATOM 0 HH12 ARG A 29 20.705 -7.404 -0.118 1.00 0.00 H new ATOM 0 HH21 ARG A 29 19.554 -4.909 2.097 1.00 0.00 H new ATOM 0 HH22 ARG A 29 20.088 -6.587 1.949 1.00 0.00 H new ATOM 486 N ASP A 30 15.462 -1.156 -3.419 1.00 0.00 N ATOM 487 CA ASP A 30 14.040 -1.269 -3.811 1.00 0.00 C ATOM 488 C ASP A 30 13.374 -2.505 -3.157 1.00 0.00 C ATOM 489 O ASP A 30 12.218 -2.438 -2.741 1.00 0.00 O ATOM 490 CB ASP A 30 13.909 -1.344 -5.335 1.00 0.00 C ATOM 491 CG ASP A 30 14.165 -0.026 -6.054 1.00 0.00 C ATOM 492 OD1 ASP A 30 14.216 0.986 -5.397 1.00 0.00 O ATOM 493 OD2 ASP A 30 14.461 -0.059 -7.224 1.00 0.00 O ATOM 0 H ASP A 30 16.101 -1.177 -4.214 1.00 0.00 H new ATOM 0 HA ASP A 30 13.524 -0.377 -3.455 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.608 -2.091 -5.711 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.906 -1.691 -5.585 1.00 0.00 H new ATOM 498 N GLU A 31 14.124 -3.632 -3.064 1.00 0.00 N ATOM 499 CA GLU A 31 13.629 -4.882 -2.428 1.00 0.00 C ATOM 500 C GLU A 31 13.392 -4.688 -0.912 1.00 0.00 C ATOM 501 O GLU A 31 12.476 -5.279 -0.340 1.00 0.00 O ATOM 502 CB GLU A 31 14.616 -6.029 -2.659 1.00 0.00 C ATOM 503 CG GLU A 31 14.705 -6.499 -4.104 1.00 0.00 C ATOM 504 CD GLU A 31 13.473 -7.258 -4.510 1.00 0.00 C ATOM 505 OE1 GLU A 31 12.770 -7.719 -3.643 1.00 0.00 O ATOM 506 OE2 GLU A 31 13.172 -7.282 -5.679 1.00 0.00 O ATOM 0 H GLU A 31 15.077 -3.702 -3.422 1.00 0.00 H new ATOM 0 HA GLU A 31 12.675 -5.133 -2.893 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.606 -5.712 -2.331 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.327 -6.873 -2.032 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.837 -5.639 -4.761 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.583 -7.133 -4.229 1.00 0.00 H new ATOM 513 N GLU A 32 14.228 -3.850 -0.280 1.00 0.00 N ATOM 514 CA GLU A 32 14.119 -3.532 1.159 1.00 0.00 C ATOM 515 C GLU A 32 12.806 -2.786 1.433 1.00 0.00 C ATOM 516 O GLU A 32 12.145 -3.017 2.442 1.00 0.00 O ATOM 517 CB GLU A 32 15.312 -2.695 1.625 1.00 0.00 C ATOM 518 CG GLU A 32 16.634 -3.449 1.659 1.00 0.00 C ATOM 519 CD GLU A 32 17.789 -2.516 1.894 1.00 0.00 C ATOM 520 OE1 GLU A 32 17.570 -1.329 1.942 1.00 0.00 O ATOM 521 OE2 GLU A 32 18.873 -2.994 2.139 1.00 0.00 O ATOM 0 H GLU A 32 14.998 -3.373 -0.748 1.00 0.00 H new ATOM 0 HA GLU A 32 14.121 -4.467 1.720 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.416 -1.834 0.965 1.00 0.00 H new ATOM 0 HB3 GLU A 32 15.102 -2.309 2.623 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.606 -4.202 2.447 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.777 -3.979 0.717 1.00 0.00 H new ATOM 528 N LEU A 33 12.451 -1.899 0.489 1.00 0.00 N ATOM 529 CA LEU A 33 11.215 -1.103 0.521 1.00 0.00 C ATOM 530 C LEU A 33 9.966 -2.009 0.383 1.00 0.00 C ATOM 531 O LEU A 33 8.969 -1.786 1.061 1.00 0.00 O ATOM 532 CB LEU A 33 11.265 -0.010 -0.611 1.00 0.00 C ATOM 533 CG LEU A 33 10.412 1.285 -0.387 1.00 0.00 C ATOM 534 CD1 LEU A 33 8.917 0.985 -0.170 1.00 0.00 C ATOM 535 CD2 LEU A 33 10.976 2.138 0.773 1.00 0.00 C ATOM 0 H LEU A 33 13.026 -1.712 -0.332 1.00 0.00 H new ATOM 0 HA LEU A 33 11.138 -0.601 1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 33 12.304 0.288 -0.748 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.940 -0.472 -1.543 1.00 0.00 H new ATOM 0 HG LEU A 33 10.488 1.863 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.376 1.920 -0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.518 0.471 -1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.797 0.352 0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.361 3.029 0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.965 1.554 1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 33 12.000 2.434 0.543 1.00 0.00 H new ATOM 547 N LYS A 34 10.052 -3.032 -0.495 1.00 0.00 N ATOM 548 CA LYS A 34 8.935 -3.958 -0.790 1.00 0.00 C ATOM 549 C LYS A 34 8.427 -4.671 0.481 1.00 0.00 C ATOM 550 O LYS A 34 7.226 -4.659 0.765 1.00 0.00 O ATOM 551 CB LYS A 34 9.362 -4.993 -1.831 1.00 0.00 C ATOM 552 CG LYS A 34 9.529 -4.438 -3.239 1.00 0.00 C ATOM 553 CD LYS A 34 9.956 -5.524 -4.216 1.00 0.00 C ATOM 554 CE LYS A 34 10.228 -4.950 -5.599 1.00 0.00 C ATOM 555 NZ LYS A 34 10.710 -5.990 -6.547 1.00 0.00 N ATOM 0 H LYS A 34 10.901 -3.240 -1.021 1.00 0.00 H new ATOM 0 HA LYS A 34 8.115 -3.360 -1.188 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.305 -5.440 -1.516 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.622 -5.793 -1.854 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.590 -3.996 -3.571 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.272 -3.640 -3.232 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.853 -6.019 -3.843 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.177 -6.283 -4.282 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.317 -4.497 -5.990 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.971 -4.156 -5.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.932 -5.549 -7.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.565 -6.440 -6.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.970 -6.709 -6.679 1.00 0.00 H new ATOM 569 N GLU A 35 9.359 -5.256 1.253 1.00 0.00 N ATOM 570 CA GLU A 35 9.023 -5.956 2.505 1.00 0.00 C ATOM 571 C GLU A 35 8.487 -4.986 3.578 1.00 0.00 C ATOM 572 O GLU A 35 7.656 -5.368 4.402 1.00 0.00 O ATOM 573 CB GLU A 35 10.248 -6.703 3.040 1.00 0.00 C ATOM 574 CG GLU A 35 11.458 -5.818 3.304 1.00 0.00 C ATOM 575 CD GLU A 35 12.597 -6.610 3.881 1.00 0.00 C ATOM 576 OE1 GLU A 35 12.456 -7.801 4.026 1.00 0.00 O ATOM 577 OE2 GLU A 35 13.649 -6.046 4.073 1.00 0.00 O ATOM 0 H GLU A 35 10.354 -5.258 1.031 1.00 0.00 H new ATOM 0 HA GLU A 35 8.233 -6.672 2.278 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.974 -7.209 3.966 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.528 -7.476 2.325 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.775 -5.345 2.375 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.183 -5.018 3.991 1.00 0.00 H new ATOM 584 N LYS A 36 8.956 -3.719 3.534 1.00 0.00 N ATOM 585 CA LYS A 36 8.485 -2.645 4.439 1.00 0.00 C ATOM 586 C LYS A 36 7.005 -2.343 4.193 1.00 0.00 C ATOM 587 O LYS A 36 6.241 -2.168 5.139 1.00 0.00 O ATOM 588 CB LYS A 36 9.316 -1.374 4.254 1.00 0.00 C ATOM 589 CG LYS A 36 10.723 -1.453 4.832 1.00 0.00 C ATOM 590 CD LYS A 36 11.514 -0.189 4.535 1.00 0.00 C ATOM 591 CE LYS A 36 12.978 -0.348 4.918 1.00 0.00 C ATOM 592 NZ LYS A 36 13.152 -0.557 6.380 1.00 0.00 N ATOM 0 H LYS A 36 9.669 -3.412 2.873 1.00 0.00 H new ATOM 0 HA LYS A 36 8.607 -2.993 5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.386 -1.152 3.189 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.791 -0.540 4.720 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.668 -1.605 5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.242 -2.316 4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.438 0.049 3.474 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.082 0.649 5.082 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.404 -1.193 4.378 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.532 0.539 4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.166 -0.593 6.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.709 0.228 6.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.703 -1.453 6.658 1.00 0.00 H new ATOM 606 N LEU A 37 6.629 -2.276 2.902 1.00 0.00 N ATOM 607 CA LEU A 37 5.237 -2.079 2.474 1.00 0.00 C ATOM 608 C LEU A 37 4.364 -3.260 2.918 1.00 0.00 C ATOM 609 O LEU A 37 3.242 -3.048 3.351 1.00 0.00 O ATOM 610 CB LEU A 37 5.166 -1.902 0.952 1.00 0.00 C ATOM 611 CG LEU A 37 5.652 -0.543 0.430 1.00 0.00 C ATOM 612 CD1 LEU A 37 5.810 -0.592 -1.084 1.00 0.00 C ATOM 613 CD2 LEU A 37 4.663 0.540 0.835 1.00 0.00 C ATOM 0 H LEU A 37 7.286 -2.358 2.126 1.00 0.00 H new ATOM 0 HA LEU A 37 4.856 -1.174 2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.759 -2.687 0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.134 -2.048 0.633 1.00 0.00 H new ATOM 0 HG LEU A 37 6.623 -0.311 0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.155 0.377 -1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.538 -1.359 -1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.850 -0.829 -1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.008 1.505 0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.685 0.317 0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.587 0.575 1.922 1.00 0.00 H new ATOM 625 N LYS A 38 4.906 -4.505 2.822 1.00 0.00 N ATOM 626 CA LYS A 38 4.208 -5.726 3.294 1.00 0.00 C ATOM 627 C LYS A 38 3.893 -5.629 4.787 1.00 0.00 C ATOM 628 O LYS A 38 2.795 -5.973 5.213 1.00 0.00 O ATOM 629 CB LYS A 38 5.048 -6.974 3.018 1.00 0.00 C ATOM 630 CG LYS A 38 5.125 -7.368 1.549 1.00 0.00 C ATOM 631 CD LYS A 38 6.100 -8.515 1.334 1.00 0.00 C ATOM 632 CE LYS A 38 5.586 -9.804 1.958 1.00 0.00 C ATOM 633 NZ LYS A 38 6.424 -10.976 1.584 1.00 0.00 N ATOM 0 H LYS A 38 5.826 -4.686 2.421 1.00 0.00 H new ATOM 0 HA LYS A 38 3.271 -5.807 2.744 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.059 -6.806 3.390 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.634 -7.808 3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.135 -7.658 1.196 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.436 -6.508 0.956 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.259 -8.664 0.266 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.067 -8.259 1.768 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.570 -9.701 3.043 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.558 -9.977 1.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.136 -11.802 2.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.298 -11.184 0.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.424 -10.762 1.772 1.00 0.00 H new ATOM 647 N LYS A 39 4.882 -5.146 5.564 1.00 0.00 N ATOM 648 CA LYS A 39 4.747 -4.958 7.015 1.00 0.00 C ATOM 649 C LYS A 39 3.711 -3.874 7.326 1.00 0.00 C ATOM 650 O LYS A 39 2.819 -4.099 8.125 1.00 0.00 O ATOM 651 CB LYS A 39 6.094 -4.596 7.642 1.00 0.00 C ATOM 652 CG LYS A 39 7.091 -5.746 7.696 1.00 0.00 C ATOM 653 CD LYS A 39 8.371 -5.335 8.409 1.00 0.00 C ATOM 654 CE LYS A 39 9.399 -6.456 8.393 1.00 0.00 C ATOM 655 NZ LYS A 39 10.608 -6.115 9.191 1.00 0.00 N ATOM 0 H LYS A 39 5.796 -4.876 5.200 1.00 0.00 H new ATOM 0 HA LYS A 39 4.406 -5.899 7.446 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.535 -3.775 7.077 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.923 -4.231 8.655 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.642 -6.595 8.211 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.326 -6.075 6.684 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.788 -4.450 7.929 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.144 -5.062 9.440 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.949 -7.367 8.788 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.691 -6.666 7.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.283 -6.905 9.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.053 -5.261 8.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.334 -5.940 10.179 1.00 0.00 H new ATOM 669 N VAL A 40 3.802 -2.738 6.617 1.00 0.00 N ATOM 670 CA VAL A 40 2.850 -1.616 6.751 1.00 0.00 C ATOM 671 C VAL A 40 1.407 -2.056 6.452 1.00 0.00 C ATOM 672 O VAL A 40 0.519 -1.781 7.237 1.00 0.00 O ATOM 673 CB VAL A 40 3.219 -0.450 5.817 1.00 0.00 C ATOM 674 CG1 VAL A 40 2.078 0.552 5.739 1.00 0.00 C ATOM 675 CG2 VAL A 40 4.494 0.231 6.292 1.00 0.00 C ATOM 0 H VAL A 40 4.538 -2.568 5.932 1.00 0.00 H new ATOM 0 HA VAL A 40 2.913 -1.282 7.787 1.00 0.00 H new ATOM 0 HB VAL A 40 3.394 -0.851 4.819 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.357 1.370 5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.186 0.058 5.353 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.872 0.947 6.734 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.740 1.053 5.620 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.346 0.619 7.300 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.311 -0.490 6.297 1.00 0.00 H new ATOM 685 N LEU A 41 1.206 -2.757 5.329 1.00 0.00 N ATOM 686 CA LEU A 41 -0.121 -3.246 4.905 1.00 0.00 C ATOM 687 C LEU A 41 -0.673 -4.291 5.887 1.00 0.00 C ATOM 688 O LEU A 41 -1.854 -4.252 6.212 1.00 0.00 O ATOM 689 CB LEU A 41 -0.053 -3.816 3.460 1.00 0.00 C ATOM 690 CG LEU A 41 0.043 -2.746 2.328 1.00 0.00 C ATOM 691 CD1 LEU A 41 0.420 -3.388 0.981 1.00 0.00 C ATOM 692 CD2 LEU A 41 -1.283 -1.954 2.219 1.00 0.00 C ATOM 0 H LEU A 41 1.957 -3.004 4.685 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.810 -2.401 4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.811 -4.477 3.387 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.938 -4.428 3.286 1.00 0.00 H new ATOM 0 HG LEU A 41 0.838 -2.047 2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.479 -2.616 0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.387 -3.883 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.338 -4.120 0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.199 -1.212 1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.099 -2.640 1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.486 -1.452 3.165 1.00 0.00 H new ATOM 704 N ASN A 42 0.193 -5.202 6.370 1.00 0.00 N ATOM 705 CA ASN A 42 -0.180 -6.205 7.394 1.00 0.00 C ATOM 706 C ASN A 42 -0.508 -5.522 8.739 1.00 0.00 C ATOM 707 O ASN A 42 -1.454 -5.917 9.419 1.00 0.00 O ATOM 708 CB ASN A 42 0.911 -7.242 7.583 1.00 0.00 C ATOM 709 CG ASN A 42 1.001 -8.239 6.461 1.00 0.00 C ATOM 710 OD1 ASN A 42 0.041 -8.442 5.707 1.00 0.00 O ATOM 711 ND2 ASN A 42 2.116 -8.919 6.396 1.00 0.00 N ATOM 0 H ASN A 42 1.165 -5.266 6.066 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.072 -6.718 7.036 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.870 -6.733 7.682 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.735 -7.775 8.517 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.224 -9.656 5.700 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.878 -8.712 7.042 1.00 0.00 H new ATOM 718 N GLU A 43 0.281 -4.486 9.097 1.00 0.00 N ATOM 719 CA GLU A 43 0.166 -3.758 10.384 1.00 0.00 C ATOM 720 C GLU A 43 -1.194 -3.043 10.484 1.00 0.00 C ATOM 721 O GLU A 43 -1.865 -3.129 11.519 1.00 0.00 O ATOM 722 CB GLU A 43 1.305 -2.747 10.540 1.00 0.00 C ATOM 723 CG GLU A 43 1.281 -1.972 11.849 1.00 0.00 C ATOM 724 CD GLU A 43 2.395 -0.962 11.906 1.00 0.00 C ATOM 725 OE1 GLU A 43 3.143 -0.877 10.961 1.00 0.00 O ATOM 726 OE2 GLU A 43 2.431 -0.200 12.842 1.00 0.00 O ATOM 0 H GLU A 43 1.023 -4.126 8.497 1.00 0.00 H new ATOM 0 HA GLU A 43 0.237 -4.488 11.191 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.256 -3.274 10.461 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.263 -2.040 9.712 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.322 -1.465 11.957 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.372 -2.664 12.686 1.00 0.00 H new ATOM 733 N ARG A 44 -1.586 -2.318 9.411 1.00 0.00 N ATOM 734 CA ARG A 44 -2.860 -1.562 9.368 1.00 0.00 C ATOM 735 C ARG A 44 -4.023 -2.544 9.482 1.00 0.00 C ATOM 736 O ARG A 44 -5.061 -2.244 10.079 1.00 0.00 O ATOM 737 CB ARG A 44 -2.988 -0.675 8.138 1.00 0.00 C ATOM 738 CG ARG A 44 -4.260 0.157 8.080 1.00 0.00 C ATOM 739 CD ARG A 44 -4.283 1.305 9.022 1.00 0.00 C ATOM 740 NE ARG A 44 -4.662 0.961 10.383 1.00 0.00 N ATOM 741 CZ ARG A 44 -4.833 1.852 11.379 1.00 0.00 C ATOM 742 NH1 ARG A 44 -4.626 3.135 11.181 1.00 0.00 N ATOM 743 NH2 ARG A 44 -5.193 1.399 12.567 1.00 0.00 N ATOM 0 H ARG A 44 -1.034 -2.240 8.557 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.876 -0.876 10.215 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.130 -0.004 8.101 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.941 -1.303 7.248 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.389 0.532 7.065 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.112 -0.489 8.291 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.295 1.765 9.039 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.977 2.055 8.644 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.809 -0.025 10.599 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.332 3.468 10.263 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.760 3.797 11.945 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.334 0.399 12.710 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.330 2.049 13.341 1.00 0.00 H new ATOM 757 N MET A 45 -3.799 -3.736 8.917 1.00 0.00 N ATOM 758 CA MET A 45 -4.806 -4.781 8.827 1.00 0.00 C ATOM 759 C MET A 45 -4.816 -5.694 10.057 1.00 0.00 C ATOM 760 O MET A 45 -5.690 -6.535 10.158 1.00 0.00 O ATOM 761 CB MET A 45 -4.579 -5.605 7.561 1.00 0.00 C ATOM 762 CG MET A 45 -4.883 -4.865 6.266 1.00 0.00 C ATOM 763 SD MET A 45 -4.784 -5.934 4.816 1.00 0.00 S ATOM 764 CE MET A 45 -6.236 -6.956 5.050 1.00 0.00 C ATOM 0 H MET A 45 -2.902 -3.998 8.508 1.00 0.00 H new ATOM 0 HA MET A 45 -5.780 -4.294 8.785 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.541 -5.938 7.540 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.200 -6.500 7.608 1.00 0.00 H new ATOM 0 HG2 MET A 45 -5.881 -4.431 6.326 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.182 -4.038 6.151 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.508 -7.424 4.104 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.022 -7.729 5.788 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.063 -6.338 5.400 1.00 0.00 H new ATOM 774 N ASP A 46 -3.866 -5.548 10.986 1.00 0.00 N ATOM 775 CA ASP A 46 -3.855 -6.356 12.230 1.00 0.00 C ATOM 776 C ASP A 46 -5.206 -6.232 12.991 1.00 0.00 C ATOM 777 O ASP A 46 -5.842 -7.264 13.252 1.00 0.00 O ATOM 778 CB ASP A 46 -2.697 -5.929 13.135 1.00 0.00 C ATOM 779 CG ASP A 46 -1.338 -6.478 12.720 1.00 0.00 C ATOM 780 OD1 ASP A 46 -1.295 -7.284 11.822 1.00 0.00 O ATOM 781 OD2 ASP A 46 -0.348 -5.975 13.192 1.00 0.00 O ATOM 0 H ASP A 46 -3.095 -4.885 10.910 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.717 -7.400 11.950 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.646 -4.840 13.150 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.910 -6.252 14.154 1.00 0.00 H new ATOM 786 N PRO A 47 -5.708 -4.984 13.334 1.00 0.00 N ATOM 787 CA PRO A 47 -7.017 -4.831 14.025 1.00 0.00 C ATOM 788 C PRO A 47 -8.200 -5.179 13.092 1.00 0.00 C ATOM 789 O PRO A 47 -9.291 -5.461 13.558 1.00 0.00 O ATOM 790 CB PRO A 47 -7.040 -3.342 14.447 1.00 0.00 C ATOM 791 CG PRO A 47 -6.146 -2.663 13.454 1.00 0.00 C ATOM 792 CD PRO A 47 -5.040 -3.651 13.173 1.00 0.00 C ATOM 0 HA PRO A 47 -7.123 -5.507 14.873 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.051 -2.935 14.416 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.675 -3.211 15.466 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.689 -2.411 12.543 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.748 -1.731 13.856 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.635 -3.524 12.169 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.210 -3.532 13.869 1.00 0.00 H new ATOM 800 N ILE A 48 -7.929 -5.216 11.773 1.00 0.00 N ATOM 801 CA ILE A 48 -8.942 -5.440 10.718 1.00 0.00 C ATOM 802 C ILE A 48 -9.310 -6.944 10.630 1.00 0.00 C ATOM 803 O ILE A 48 -10.468 -7.305 10.388 1.00 0.00 O ATOM 804 CB ILE A 48 -8.448 -4.954 9.344 1.00 0.00 C ATOM 805 CG1 ILE A 48 -8.090 -3.467 9.401 1.00 0.00 C ATOM 806 CG2 ILE A 48 -9.503 -5.210 8.278 1.00 0.00 C ATOM 807 CD1 ILE A 48 -9.254 -2.570 9.754 1.00 0.00 C ATOM 0 H ILE A 48 -6.987 -5.089 11.403 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.825 -4.862 10.990 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.551 -5.514 9.080 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.297 -3.322 10.135 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.689 -3.162 8.434 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -9.137 -4.860 7.313 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -9.712 -6.278 8.222 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -10.417 -4.675 8.535 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -8.921 -1.532 9.775 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.040 -2.684 9.008 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -9.642 -2.846 10.735 1.00 0.00 H new ATOM 819 N LYS A 49 -8.308 -7.808 10.867 1.00 0.00 N ATOM 820 CA LYS A 49 -8.465 -9.272 10.803 1.00 0.00 C ATOM 821 C LYS A 49 -9.323 -9.763 11.992 1.00 0.00 C ATOM 822 O LYS A 49 -9.985 -10.799 11.892 1.00 0.00 O ATOM 823 CB LYS A 49 -7.100 -9.964 10.805 1.00 0.00 C ATOM 824 CG LYS A 49 -6.325 -9.830 9.501 1.00 0.00 C ATOM 825 CD LYS A 49 -4.978 -10.529 9.583 1.00 0.00 C ATOM 826 CE LYS A 49 -4.212 -10.415 8.273 1.00 0.00 C ATOM 827 NZ LYS A 49 -2.891 -11.099 8.339 1.00 0.00 N ATOM 0 H LYS A 49 -7.363 -7.510 11.109 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.972 -9.528 9.873 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.498 -9.552 11.615 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.243 -11.023 11.021 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -6.908 -10.255 8.684 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.176 -8.775 9.271 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.389 -10.093 10.390 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.126 -11.580 9.829 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.805 -10.848 7.467 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.064 -9.363 8.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.402 -10.998 7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.315 -10.669 9.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.033 -12.108 8.546 1.00 0.00 H new ATOM 841 N LYS A 50 -9.268 -9.017 13.127 1.00 0.00 N ATOM 842 CA LYS A 50 -10.090 -9.272 14.334 1.00 0.00 C ATOM 843 C LYS A 50 -11.583 -8.990 14.017 1.00 0.00 C ATOM 844 O LYS A 50 -12.480 -9.597 14.617 1.00 0.00 O ATOM 845 CB LYS A 50 -9.618 -8.413 15.508 1.00 0.00 C ATOM 846 CG LYS A 50 -10.478 -8.533 16.760 1.00 0.00 C ATOM 847 CD LYS A 50 -9.940 -7.661 17.885 1.00 0.00 C ATOM 848 CE LYS A 50 -10.029 -6.183 17.533 1.00 0.00 C ATOM 849 NZ LYS A 50 -9.563 -5.316 18.649 1.00 0.00 N ATOM 0 H LYS A 50 -8.645 -8.215 13.228 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.977 -10.318 14.620 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.594 -8.691 15.757 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.598 -7.369 15.194 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.503 -8.242 16.529 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.508 -9.573 17.085 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.503 -7.854 18.798 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.903 -7.926 18.089 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.429 -5.985 16.645 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.060 -5.931 17.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.640 -4.318 18.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.152 -5.486 19.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.571 -5.538 18.870 1.00 0.00 H new ATOM 863 N LEU A 51 -11.831 -8.086 13.044 1.00 0.00 N ATOM 864 CA LEU A 51 -13.188 -7.553 12.768 1.00 0.00 C ATOM 865 C LEU A 51 -13.923 -8.482 11.786 1.00 0.00 C ATOM 866 O LEU A 51 -15.137 -8.688 11.902 1.00 0.00 O ATOM 867 CB LEU A 51 -13.110 -6.128 12.206 1.00 0.00 C ATOM 868 CG LEU A 51 -12.467 -5.093 13.137 1.00 0.00 C ATOM 869 CD1 LEU A 51 -12.291 -3.769 12.405 1.00 0.00 C ATOM 870 CD2 LEU A 51 -13.334 -4.913 14.374 1.00 0.00 C ATOM 0 H LEU A 51 -11.107 -7.707 12.433 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.746 -7.514 13.704 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.547 -6.153 11.273 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -14.119 -5.796 11.961 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.483 -5.445 13.446 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -11.834 -3.041 13.075 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.649 -3.916 11.536 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -13.264 -3.401 12.079 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.876 -4.177 15.035 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.324 -4.568 14.077 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.424 -5.865 14.897 1.00 0.00 H new ATOM 882 N GLY A 52 -13.156 -9.034 10.817 1.00 0.00 N ATOM 883 CA GLY A 52 -13.636 -10.080 9.908 1.00 0.00 C ATOM 884 C GLY A 52 -14.547 -9.559 8.813 1.00 0.00 C ATOM 885 O GLY A 52 -15.302 -10.329 8.208 1.00 0.00 O ATOM 0 H GLY A 52 -12.188 -8.761 10.650 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.779 -10.575 9.452 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.170 -10.835 10.485 1.00 0.00 H new ATOM 889 N CYS A 53 -14.491 -8.237 8.588 1.00 0.00 N ATOM 890 CA CYS A 53 -15.146 -7.594 7.449 1.00 0.00 C ATOM 891 C CYS A 53 -14.922 -8.442 6.180 1.00 0.00 C ATOM 892 O CYS A 53 -13.796 -8.540 5.674 1.00 0.00 O ATOM 893 CB CYS A 53 -14.619 -6.149 7.299 1.00 0.00 C ATOM 894 SG CYS A 53 -12.869 -5.950 7.747 1.00 0.00 S ATOM 0 H CYS A 53 -13.989 -7.588 9.194 1.00 0.00 H new ATOM 0 HA CYS A 53 -16.222 -7.532 7.612 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -14.758 -5.828 6.267 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -15.220 -5.487 7.922 1.00 0.00 H new ATOM 899 N LYS A 54 -16.027 -9.067 5.699 1.00 0.00 N ATOM 900 CA LYS A 54 -16.024 -10.023 4.567 1.00 0.00 C ATOM 901 C LYS A 54 -15.533 -9.394 3.258 1.00 0.00 C ATOM 902 O LYS A 54 -15.168 -10.106 2.324 1.00 0.00 O ATOM 903 CB LYS A 54 -17.424 -10.603 4.360 1.00 0.00 C ATOM 904 CG LYS A 54 -17.894 -11.526 5.478 1.00 0.00 C ATOM 905 CD LYS A 54 -19.296 -12.050 5.209 1.00 0.00 C ATOM 906 CE LYS A 54 -19.756 -12.994 6.312 1.00 0.00 C ATOM 907 NZ LYS A 54 -21.134 -13.500 6.072 1.00 0.00 N ATOM 0 H LYS A 54 -16.956 -8.918 6.093 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.324 -10.816 4.831 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -18.134 -9.781 4.261 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -17.441 -11.154 3.419 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -17.203 -12.363 5.576 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -17.880 -10.989 6.426 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -19.990 -11.213 5.131 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -19.314 -12.570 4.251 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -19.067 -13.836 6.380 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -19.722 -12.476 7.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -21.409 -14.139 6.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -21.796 -12.699 6.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -21.162 -14.017 5.170 1.00 0.00 H new ATOM 921 N ARG A 55 -15.530 -8.058 3.203 1.00 0.00 N ATOM 922 CA ARG A 55 -14.975 -7.292 2.082 1.00 0.00 C ATOM 923 C ARG A 55 -14.455 -5.953 2.615 1.00 0.00 C ATOM 924 O ARG A 55 -15.124 -5.313 3.436 1.00 0.00 O ATOM 925 CB ARG A 55 -15.963 -7.111 0.939 1.00 0.00 C ATOM 926 CG ARG A 55 -15.366 -6.541 -0.338 1.00 0.00 C ATOM 927 CD ARG A 55 -16.310 -6.489 -1.485 1.00 0.00 C ATOM 928 NE ARG A 55 -15.756 -5.903 -2.695 1.00 0.00 N ATOM 929 CZ ARG A 55 -16.294 -6.031 -3.922 1.00 0.00 C ATOM 930 NH1 ARG A 55 -17.376 -6.754 -4.115 1.00 0.00 N ATOM 931 NH2 ARG A 55 -15.693 -5.431 -4.934 1.00 0.00 N ATOM 0 H ARG A 55 -15.917 -7.472 3.943 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.149 -7.857 1.649 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -16.415 -8.077 0.712 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -16.766 -6.454 1.273 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -15.002 -5.534 -0.137 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.502 -7.142 -0.621 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -16.647 -7.501 -1.708 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -17.190 -5.918 -1.190 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.899 -5.356 -2.608 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -17.820 -7.228 -3.328 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.771 -6.841 -5.051 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.844 -4.888 -4.774 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.078 -5.510 -5.875 1.00 0.00 H new ATOM 945 N VAL A 56 -13.272 -5.534 2.153 1.00 0.00 N ATOM 946 CA VAL A 56 -12.639 -4.271 2.574 1.00 0.00 C ATOM 947 C VAL A 56 -12.100 -3.539 1.332 1.00 0.00 C ATOM 948 O VAL A 56 -11.760 -4.174 0.330 1.00 0.00 O ATOM 949 CB VAL A 56 -11.494 -4.501 3.577 1.00 0.00 C ATOM 950 CG1 VAL A 56 -12.017 -5.166 4.842 1.00 0.00 C ATOM 951 CG2 VAL A 56 -10.397 -5.347 2.947 1.00 0.00 C ATOM 0 H VAL A 56 -12.722 -6.060 1.474 1.00 0.00 H new ATOM 0 HA VAL A 56 -13.395 -3.667 3.076 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.073 -3.532 3.846 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.193 -5.321 5.539 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.769 -4.527 5.305 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.464 -6.128 4.589 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.595 -5.500 3.670 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.807 -6.312 2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.002 -4.835 2.069 1.00 0.00 H new ATOM 961 N ARG A 57 -12.066 -2.202 1.385 1.00 0.00 N ATOM 962 CA ARG A 57 -11.440 -1.378 0.338 1.00 0.00 C ATOM 963 C ARG A 57 -10.222 -0.676 0.947 1.00 0.00 C ATOM 964 O ARG A 57 -10.343 0.002 1.972 1.00 0.00 O ATOM 965 CB ARG A 57 -12.406 -0.397 -0.310 1.00 0.00 C ATOM 966 CG ARG A 57 -11.776 0.543 -1.326 1.00 0.00 C ATOM 967 CD ARG A 57 -12.755 1.278 -2.168 1.00 0.00 C ATOM 968 NE ARG A 57 -13.545 0.435 -3.048 1.00 0.00 N ATOM 969 CZ ARG A 57 -14.625 0.850 -3.741 1.00 0.00 C ATOM 970 NH1 ARG A 57 -15.067 2.082 -3.628 1.00 0.00 N ATOM 971 NH2 ARG A 57 -15.242 -0.023 -4.518 1.00 0.00 N ATOM 0 H ARG A 57 -12.469 -1.661 2.150 1.00 0.00 H new ATOM 0 HA ARG A 57 -11.123 -2.027 -0.478 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.199 -0.961 -0.801 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -12.876 0.199 0.473 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.154 1.266 -0.798 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -11.116 -0.032 -1.975 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.429 1.835 -1.517 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.219 2.010 -2.772 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.263 -0.540 -3.149 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.592 2.740 -3.010 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -15.885 2.381 -4.159 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -14.899 -0.981 -4.581 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -16.062 0.262 -5.054 1.00 0.00 H new ATOM 985 N ILE A 58 -9.046 -0.866 0.329 1.00 0.00 N ATOM 986 CA ILE A 58 -7.769 -0.321 0.830 1.00 0.00 C ATOM 987 C ILE A 58 -7.167 0.629 -0.227 1.00 0.00 C ATOM 988 O ILE A 58 -6.903 0.203 -1.336 1.00 0.00 O ATOM 989 CB ILE A 58 -6.758 -1.432 1.162 1.00 0.00 C ATOM 990 CG1 ILE A 58 -7.343 -2.395 2.198 1.00 0.00 C ATOM 991 CG2 ILE A 58 -5.455 -0.831 1.665 1.00 0.00 C ATOM 992 CD1 ILE A 58 -6.531 -3.656 2.386 1.00 0.00 C ATOM 0 H ILE A 58 -8.951 -1.402 -0.533 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.977 0.222 1.752 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.548 -1.993 0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.423 -1.879 3.155 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.355 -2.667 1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.751 -1.630 1.895 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.032 -0.185 0.896 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.647 -0.246 2.565 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.008 -4.288 3.135 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.472 -4.195 1.441 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.526 -3.396 2.718 1.00 0.00 H new ATOM 1004 N SER A 59 -6.954 1.907 0.114 1.00 0.00 N ATOM 1005 CA SER A 59 -6.352 2.888 -0.797 1.00 0.00 C ATOM 1006 C SER A 59 -4.960 3.258 -0.258 1.00 0.00 C ATOM 1007 O SER A 59 -4.805 3.562 0.934 1.00 0.00 O ATOM 1008 CB SER A 59 -7.233 4.115 -0.929 1.00 0.00 C ATOM 1009 OG SER A 59 -8.426 3.837 -1.608 1.00 0.00 O ATOM 0 H SER A 59 -7.194 2.289 1.029 1.00 0.00 H new ATOM 0 HA SER A 59 -6.255 2.458 -1.794 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.463 4.504 0.063 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.688 4.896 -1.459 1.00 0.00 H new ATOM 0 HG SER A 59 -8.965 4.653 -1.670 1.00 0.00 H new ATOM 1015 N ILE A 60 -3.950 3.177 -1.132 1.00 0.00 N ATOM 1016 CA ILE A 60 -2.552 3.497 -0.802 1.00 0.00 C ATOM 1017 C ILE A 60 -2.084 4.690 -1.641 1.00 0.00 C ATOM 1018 O ILE A 60 -2.080 4.626 -2.868 1.00 0.00 O ATOM 1019 CB ILE A 60 -1.614 2.301 -1.044 1.00 0.00 C ATOM 1020 CG1 ILE A 60 -1.985 1.136 -0.123 1.00 0.00 C ATOM 1021 CG2 ILE A 60 -0.165 2.710 -0.832 1.00 0.00 C ATOM 1022 CD1 ILE A 60 -2.879 0.104 -0.772 1.00 0.00 C ATOM 0 H ILE A 60 -4.080 2.884 -2.100 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.512 3.743 0.259 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.730 1.973 -2.077 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.071 0.649 0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.484 1.530 0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.485 1.852 -1.007 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.093 3.509 -1.527 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.032 3.063 0.191 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.098 -0.689 -0.057 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.810 0.575 -1.087 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.375 -0.319 -1.641 1.00 0.00 H new ATOM 1034 N ARG A 61 -1.689 5.784 -0.978 1.00 0.00 N ATOM 1035 CA ARG A 61 -1.224 6.992 -1.667 1.00 0.00 C ATOM 1036 C ARG A 61 0.264 7.138 -1.358 1.00 0.00 C ATOM 1037 O ARG A 61 0.686 6.982 -0.205 1.00 0.00 O ATOM 1038 CB ARG A 61 -2.019 8.238 -1.308 1.00 0.00 C ATOM 1039 CG ARG A 61 -1.633 9.489 -2.082 1.00 0.00 C ATOM 1040 CD ARG A 61 -2.448 10.686 -1.756 1.00 0.00 C ATOM 1041 NE ARG A 61 -2.173 11.847 -2.588 1.00 0.00 N ATOM 1042 CZ ARG A 61 -2.647 13.087 -2.355 1.00 0.00 C ATOM 1043 NH1 ARG A 61 -3.449 13.324 -1.340 1.00 0.00 N ATOM 1044 NH2 ARG A 61 -2.304 14.054 -3.187 1.00 0.00 N ATOM 0 H ARG A 61 -1.683 5.856 0.039 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.383 6.884 -2.740 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.077 8.037 -1.475 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.897 8.435 -0.243 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.585 9.714 -1.886 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.721 9.284 -3.149 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.503 10.429 -1.851 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.277 10.953 -0.713 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.579 11.713 -3.406 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.720 12.564 -0.716 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.800 14.268 -1.177 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.696 13.852 -3.981 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.647 15.002 -3.036 1.00 0.00 H new ATOM 1058 N VAL A 62 1.061 7.398 -2.396 1.00 0.00 N ATOM 1059 CA VAL A 62 2.517 7.520 -2.269 1.00 0.00 C ATOM 1060 C VAL A 62 2.913 9.005 -2.408 1.00 0.00 C ATOM 1061 O VAL A 62 2.329 9.732 -3.227 1.00 0.00 O ATOM 1062 CB VAL A 62 3.261 6.681 -3.325 1.00 0.00 C ATOM 1063 CG1 VAL A 62 3.038 7.258 -4.716 1.00 0.00 C ATOM 1064 CG2 VAL A 62 4.748 6.620 -3.008 1.00 0.00 C ATOM 0 H VAL A 62 0.717 7.530 -3.347 1.00 0.00 H new ATOM 0 HA VAL A 62 2.805 7.140 -1.289 1.00 0.00 H new ATOM 0 HB VAL A 62 2.862 5.667 -3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.570 6.654 -5.450 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.972 7.253 -4.946 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.411 8.282 -4.749 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.257 6.023 -3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.161 7.629 -3.003 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.893 6.164 -2.029 1.00 0.00 H new ATOM 1074 N LYS A 63 3.875 9.471 -1.582 1.00 0.00 N ATOM 1075 CA LYS A 63 4.338 10.862 -1.642 1.00 0.00 C ATOM 1076 C LYS A 63 5.477 10.978 -2.662 1.00 0.00 C ATOM 1077 O LYS A 63 6.423 10.182 -2.656 1.00 0.00 O ATOM 1078 CB LYS A 63 4.801 11.345 -0.266 1.00 0.00 C ATOM 1079 CG LYS A 63 5.323 12.776 -0.244 1.00 0.00 C ATOM 1080 CD LYS A 63 5.788 13.174 1.148 1.00 0.00 C ATOM 1081 CE LYS A 63 6.361 14.583 1.159 1.00 0.00 C ATOM 1082 NZ LYS A 63 6.834 14.981 2.513 1.00 0.00 N ATOM 0 H LYS A 63 4.339 8.904 -0.873 1.00 0.00 H new ATOM 0 HA LYS A 63 3.508 11.495 -1.955 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.969 11.264 0.433 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.585 10.679 0.094 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.150 12.875 -0.948 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.539 13.456 -0.576 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.951 13.114 1.844 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.543 12.470 1.496 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.189 14.643 0.453 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.601 15.286 0.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.217 15.947 2.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.038 14.949 3.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.578 14.326 2.828 1.00 0.00 H new ATOM 1096 N HIS A 64 5.334 11.963 -3.550 1.00 0.00 N ATOM 1097 CA HIS A 64 6.297 12.275 -4.612 1.00 0.00 C ATOM 1098 C HIS A 64 7.094 13.523 -4.210 1.00 0.00 C ATOM 1099 O HIS A 64 6.530 14.463 -3.626 1.00 0.00 O ATOM 1100 CB HIS A 64 5.593 12.493 -5.954 1.00 0.00 C ATOM 1101 CG HIS A 64 4.802 11.309 -6.419 1.00 0.00 C ATOM 1102 ND1 HIS A 64 5.395 10.167 -6.914 1.00 0.00 N ATOM 1103 CD2 HIS A 64 3.467 11.091 -6.463 1.00 0.00 C ATOM 1104 CE1 HIS A 64 4.456 9.295 -7.243 1.00 0.00 C ATOM 1105 NE2 HIS A 64 3.279 9.833 -6.979 1.00 0.00 N ATOM 0 H HIS A 64 4.524 12.583 -3.552 1.00 0.00 H new ATOM 0 HA HIS A 64 6.975 11.431 -4.736 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.928 13.353 -5.870 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.339 12.740 -6.710 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.694 11.778 -6.151 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.623 8.311 -7.657 1.00 0.00 H new ATOM 0 HE2 HIS A 64 2.376 9.386 -7.134 1.00 0.00 H new ATOM 1113 N SER A 65 8.396 13.519 -4.516 1.00 0.00 N ATOM 1114 CA SER A 65 9.324 14.576 -4.079 1.00 0.00 C ATOM 1115 C SER A 65 8.990 15.941 -4.722 1.00 0.00 C ATOM 1116 O SER A 65 9.059 16.983 -4.062 1.00 0.00 O ATOM 1117 CB SER A 65 10.750 14.177 -4.408 1.00 0.00 C ATOM 1118 OG SER A 65 11.170 13.066 -3.664 1.00 0.00 O ATOM 0 H SER A 65 8.838 12.787 -5.072 1.00 0.00 H new ATOM 0 HA SER A 65 9.215 14.689 -3.000 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.827 13.951 -5.472 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.416 15.017 -4.212 1.00 0.00 H new ATOM 0 HG SER A 65 12.092 12.840 -3.906 1.00 0.00 H new ATOM 1124 N ASP A 66 8.610 15.903 -6.001 1.00 0.00 N ATOM 1125 CA ASP A 66 8.340 17.104 -6.827 1.00 0.00 C ATOM 1126 C ASP A 66 7.346 16.731 -7.940 1.00 0.00 C ATOM 1127 O ASP A 66 7.087 15.538 -8.170 1.00 0.00 O ATOM 1128 CB ASP A 66 9.630 17.667 -7.429 1.00 0.00 C ATOM 1129 CG ASP A 66 9.548 19.133 -7.831 1.00 0.00 C ATOM 1130 OD1 ASP A 66 8.502 19.716 -7.670 1.00 0.00 O ATOM 1131 OD2 ASP A 66 10.568 19.700 -8.146 1.00 0.00 O ATOM 0 H ASP A 66 8.476 15.029 -6.509 1.00 0.00 H new ATOM 0 HA ASP A 66 7.911 17.880 -6.193 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.437 17.545 -6.707 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.895 17.077 -8.306 1.00 0.00 H new ATOM 1136 N ALA A 67 6.818 17.753 -8.636 1.00 0.00 N ATOM 1137 CA ALA A 67 5.829 17.581 -9.717 1.00 0.00 C ATOM 1138 C ALA A 67 6.422 16.809 -10.915 1.00 0.00 C ATOM 1139 O ALA A 67 5.789 15.898 -11.449 1.00 0.00 O ATOM 1140 CB ALA A 67 5.288 18.951 -10.147 1.00 0.00 C ATOM 0 H ALA A 67 7.066 18.727 -8.464 1.00 0.00 H new ATOM 0 HA ALA A 67 5.002 16.981 -9.336 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.558 18.820 -10.946 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.811 19.437 -9.296 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.110 19.571 -10.505 1.00 0.00 H new ATOM 1146 N ALA A 68 7.645 17.180 -11.328 1.00 0.00 N ATOM 1147 CA ALA A 68 8.375 16.481 -12.410 1.00 0.00 C ATOM 1148 C ALA A 68 8.703 15.036 -11.990 1.00 0.00 C ATOM 1149 O ALA A 68 8.676 14.114 -12.811 1.00 0.00 O ATOM 1150 CB ALA A 68 9.653 17.253 -12.782 1.00 0.00 C ATOM 0 H ALA A 68 8.156 17.966 -10.928 1.00 0.00 H new ATOM 0 HA ALA A 68 7.737 16.440 -13.293 1.00 0.00 H new ATOM 0 HB1 ALA A 68 10.178 16.726 -13.579 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.387 18.254 -13.123 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.301 17.327 -11.908 1.00 0.00 H new ATOM 1156 N GLU A 69 9.004 14.854 -10.697 1.00 0.00 N ATOM 1157 CA GLU A 69 9.270 13.535 -10.108 1.00 0.00 C ATOM 1158 C GLU A 69 8.025 12.627 -10.107 1.00 0.00 C ATOM 1159 O GLU A 69 8.178 11.428 -10.043 1.00 0.00 O ATOM 1160 CB GLU A 69 9.797 13.694 -8.680 1.00 0.00 C ATOM 1161 CG GLU A 69 11.181 14.321 -8.587 1.00 0.00 C ATOM 1162 CD GLU A 69 12.205 13.494 -9.314 1.00 0.00 C ATOM 1163 OE1 GLU A 69 12.292 12.319 -9.045 1.00 0.00 O ATOM 1164 OE2 GLU A 69 12.823 14.008 -10.216 1.00 0.00 O ATOM 0 H GLU A 69 9.070 15.621 -10.028 1.00 0.00 H new ATOM 0 HA GLU A 69 10.024 13.053 -10.731 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.095 14.306 -8.113 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.823 12.714 -8.204 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.156 15.326 -9.008 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.468 14.421 -7.540 1.00 0.00 H new ATOM 1171 N GLU A 70 6.798 13.191 -10.098 1.00 0.00 N ATOM 1172 CA GLU A 70 5.565 12.377 -9.920 1.00 0.00 C ATOM 1173 C GLU A 70 5.497 11.245 -10.962 1.00 0.00 C ATOM 1174 O GLU A 70 5.209 10.098 -10.617 1.00 0.00 O ATOM 1175 CB GLU A 70 4.316 13.256 -10.020 1.00 0.00 C ATOM 1176 CG GLU A 70 4.109 14.193 -8.839 1.00 0.00 C ATOM 1177 CD GLU A 70 2.924 15.092 -9.056 1.00 0.00 C ATOM 1178 OE1 GLU A 70 2.344 15.035 -10.114 1.00 0.00 O ATOM 1179 OE2 GLU A 70 2.529 15.756 -8.127 1.00 0.00 O ATOM 0 H GLU A 70 6.630 14.191 -10.210 1.00 0.00 H new ATOM 0 HA GLU A 70 5.602 11.931 -8.926 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.377 13.849 -10.932 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.441 12.613 -10.115 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.964 13.609 -7.930 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.004 14.797 -8.690 1.00 0.00 H new ATOM 1186 N LYS A 71 5.816 11.578 -12.226 1.00 0.00 N ATOM 1187 CA LYS A 71 5.671 10.652 -13.364 1.00 0.00 C ATOM 1188 C LYS A 71 6.658 9.468 -13.253 1.00 0.00 C ATOM 1189 O LYS A 71 6.251 8.305 -13.366 1.00 0.00 O ATOM 1190 CB LYS A 71 5.881 11.392 -14.685 1.00 0.00 C ATOM 1191 CG LYS A 71 4.772 12.373 -15.041 1.00 0.00 C ATOM 1192 CD LYS A 71 5.059 13.078 -16.359 1.00 0.00 C ATOM 1193 CE LYS A 71 3.974 14.092 -16.692 1.00 0.00 C ATOM 1194 NZ LYS A 71 4.251 14.804 -17.969 1.00 0.00 N ATOM 0 H LYS A 71 6.181 12.494 -12.487 1.00 0.00 H new ATOM 0 HA LYS A 71 4.658 10.251 -13.340 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.826 11.933 -14.638 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.972 10.659 -15.487 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.822 11.842 -15.109 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.668 13.112 -14.246 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.024 13.581 -16.302 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.130 12.342 -17.160 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.012 13.584 -16.761 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.894 14.817 -15.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.489 15.485 -18.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.157 15.310 -17.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.302 14.115 -18.747 1.00 0.00 H new ATOM 1208 N LYS A 72 7.946 9.783 -12.998 1.00 0.00 N ATOM 1209 CA LYS A 72 9.030 8.786 -12.950 1.00 0.00 C ATOM 1210 C LYS A 72 8.863 7.904 -11.701 1.00 0.00 C ATOM 1211 O LYS A 72 8.915 6.682 -11.787 1.00 0.00 O ATOM 1212 CB LYS A 72 10.400 9.465 -12.945 1.00 0.00 C ATOM 1213 CG LYS A 72 11.580 8.503 -12.981 1.00 0.00 C ATOM 1214 CD LYS A 72 12.897 9.248 -13.132 1.00 0.00 C ATOM 1215 CE LYS A 72 14.079 8.288 -13.137 1.00 0.00 C ATOM 1216 NZ LYS A 72 15.378 9.007 -13.240 1.00 0.00 N ATOM 0 H LYS A 72 8.261 10.737 -12.820 1.00 0.00 H new ATOM 0 HA LYS A 72 8.971 8.162 -13.842 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.464 10.132 -13.805 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.481 10.086 -12.053 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.597 7.911 -12.066 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.458 7.805 -13.809 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.888 9.822 -14.059 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.009 9.962 -12.316 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.066 7.691 -12.225 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.980 7.595 -13.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.157 8.318 -13.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.402 9.557 -14.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.484 9.650 -12.429 1.00 0.00 H new ATOM 1230 N GLU A 73 8.590 8.572 -10.564 1.00 0.00 N ATOM 1231 CA GLU A 73 8.407 7.940 -9.248 1.00 0.00 C ATOM 1232 C GLU A 73 7.110 7.114 -9.176 1.00 0.00 C ATOM 1233 O GLU A 73 7.077 6.119 -8.461 1.00 0.00 O ATOM 1234 CB GLU A 73 8.408 9.002 -8.146 1.00 0.00 C ATOM 1235 CG GLU A 73 9.761 9.658 -7.907 1.00 0.00 C ATOM 1236 CD GLU A 73 10.799 8.642 -7.517 1.00 0.00 C ATOM 1237 OE1 GLU A 73 10.550 7.886 -6.607 1.00 0.00 O ATOM 1238 OE2 GLU A 73 11.792 8.545 -8.197 1.00 0.00 O ATOM 0 H GLU A 73 8.489 9.587 -10.537 1.00 0.00 H new ATOM 0 HA GLU A 73 9.243 7.256 -9.099 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.683 9.775 -8.402 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.070 8.544 -7.216 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.080 10.179 -8.810 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.670 10.408 -7.122 1.00 0.00 H new ATOM 1245 N ALA A 74 6.030 7.531 -9.875 1.00 0.00 N ATOM 1246 CA ALA A 74 4.770 6.773 -9.877 1.00 0.00 C ATOM 1247 C ALA A 74 4.989 5.401 -10.530 1.00 0.00 C ATOM 1248 O ALA A 74 4.609 4.385 -9.965 1.00 0.00 O ATOM 1249 CB ALA A 74 3.661 7.544 -10.607 1.00 0.00 C ATOM 0 H ALA A 74 6.011 8.381 -10.438 1.00 0.00 H new ATOM 0 HA ALA A 74 4.452 6.631 -8.844 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.741 6.959 -10.593 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.492 8.498 -10.108 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.961 7.723 -11.640 1.00 0.00 H new ATOM 1255 N LYS A 75 5.660 5.410 -11.700 1.00 0.00 N ATOM 1256 CA LYS A 75 6.011 4.192 -12.459 1.00 0.00 C ATOM 1257 C LYS A 75 6.978 3.279 -11.663 1.00 0.00 C ATOM 1258 O LYS A 75 6.803 2.058 -11.620 1.00 0.00 O ATOM 1259 CB LYS A 75 6.632 4.568 -13.805 1.00 0.00 C ATOM 1260 CG LYS A 75 5.651 5.166 -14.806 1.00 0.00 C ATOM 1261 CD LYS A 75 6.333 5.477 -16.130 1.00 0.00 C ATOM 1262 CE LYS A 75 5.363 6.108 -17.118 1.00 0.00 C ATOM 1263 NZ LYS A 75 6.021 6.438 -18.410 1.00 0.00 N ATOM 0 H LYS A 75 5.976 6.270 -12.148 1.00 0.00 H new ATOM 0 HA LYS A 75 5.091 3.633 -12.630 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.437 5.282 -13.633 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.083 3.678 -14.244 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.829 4.470 -14.973 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.218 6.078 -14.394 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.172 6.152 -15.959 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.743 4.560 -16.554 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.533 5.425 -17.298 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.941 7.015 -16.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.326 6.866 -19.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.797 7.110 -18.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.401 5.570 -18.838 1.00 0.00 H new ATOM 1277 N LYS A 76 7.983 3.896 -11.027 1.00 0.00 N ATOM 1278 CA LYS A 76 8.974 3.200 -10.182 1.00 0.00 C ATOM 1279 C LYS A 76 8.317 2.535 -8.953 1.00 0.00 C ATOM 1280 O LYS A 76 8.476 1.325 -8.738 1.00 0.00 O ATOM 1281 CB LYS A 76 10.063 4.174 -9.730 1.00 0.00 C ATOM 1282 CG LYS A 76 11.107 3.563 -8.805 1.00 0.00 C ATOM 1283 CD LYS A 76 11.984 4.636 -8.176 1.00 0.00 C ATOM 1284 CE LYS A 76 12.959 5.219 -9.188 1.00 0.00 C ATOM 1285 NZ LYS A 76 13.701 6.386 -8.638 1.00 0.00 N ATOM 0 H LYS A 76 8.136 4.903 -11.083 1.00 0.00 H new ATOM 0 HA LYS A 76 9.422 2.411 -10.787 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.565 4.574 -10.611 1.00 0.00 H new ATOM 0 HB3 LYS A 76 9.593 5.016 -9.222 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.611 2.990 -8.021 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.729 2.865 -9.366 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.357 5.431 -7.773 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.537 4.211 -7.338 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.668 4.450 -9.493 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.415 5.524 -10.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.425 6.690 -9.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.038 7.169 -8.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.159 6.116 -7.744 1.00 0.00 H new ATOM 1299 N PHE A 77 7.560 3.317 -8.163 1.00 0.00 N ATOM 1300 CA PHE A 77 6.909 2.802 -6.939 1.00 0.00 C ATOM 1301 C PHE A 77 5.757 1.837 -7.314 1.00 0.00 C ATOM 1302 O PHE A 77 5.435 0.938 -6.537 1.00 0.00 O ATOM 1303 CB PHE A 77 6.384 3.954 -6.081 1.00 0.00 C ATOM 1304 CG PHE A 77 6.325 3.637 -4.614 1.00 0.00 C ATOM 1305 CD1 PHE A 77 7.475 3.651 -3.839 1.00 0.00 C ATOM 1306 CD2 PHE A 77 5.119 3.325 -4.004 1.00 0.00 C ATOM 1307 CE1 PHE A 77 7.422 3.360 -2.488 1.00 0.00 C ATOM 1308 CE2 PHE A 77 5.063 3.035 -2.654 1.00 0.00 C ATOM 1309 CZ PHE A 77 6.216 3.052 -1.897 1.00 0.00 C ATOM 0 H PHE A 77 7.383 4.305 -8.347 1.00 0.00 H new ATOM 0 HA PHE A 77 7.650 2.254 -6.356 1.00 0.00 H new ATOM 0 HB2 PHE A 77 7.021 4.826 -6.230 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.386 4.226 -6.425 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.423 3.892 -4.296 1.00 0.00 H new ATOM 0 HD2 PHE A 77 4.213 3.309 -4.591 1.00 0.00 H new ATOM 0 HE1 PHE A 77 8.325 3.374 -1.896 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.117 2.795 -2.192 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.174 2.824 -0.842 1.00 0.00 H new ATOM 1319 N ALA A 78 5.122 2.056 -8.498 1.00 0.00 N ATOM 1320 CA ALA A 78 4.014 1.195 -8.982 1.00 0.00 C ATOM 1321 C ALA A 78 4.451 -0.268 -9.075 1.00 0.00 C ATOM 1322 O ALA A 78 3.697 -1.153 -8.700 1.00 0.00 O ATOM 1323 CB ALA A 78 3.481 1.650 -10.342 1.00 0.00 C ATOM 0 H ALA A 78 5.360 2.820 -9.131 1.00 0.00 H new ATOM 0 HA ALA A 78 3.212 1.288 -8.250 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.672 0.990 -10.655 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.107 2.671 -10.263 1.00 0.00 H new ATOM 0 HB3 ALA A 78 4.284 1.614 -11.078 1.00 0.00 H new ATOM 1329 N ALA A 79 5.671 -0.499 -9.600 1.00 0.00 N ATOM 1330 CA ALA A 79 6.271 -1.840 -9.685 1.00 0.00 C ATOM 1331 C ALA A 79 6.484 -2.429 -8.285 1.00 0.00 C ATOM 1332 O ALA A 79 6.222 -3.607 -8.056 1.00 0.00 O ATOM 1333 CB ALA A 79 7.601 -1.775 -10.447 1.00 0.00 C ATOM 0 H ALA A 79 6.265 0.240 -9.976 1.00 0.00 H new ATOM 0 HA ALA A 79 5.586 -2.492 -10.227 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.037 -2.773 -10.504 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.425 -1.398 -11.454 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.287 -1.109 -9.925 1.00 0.00 H new ATOM 1339 N ILE A 80 6.911 -1.558 -7.351 1.00 0.00 N ATOM 1340 CA ILE A 80 7.168 -1.918 -5.948 1.00 0.00 C ATOM 1341 C ILE A 80 5.870 -2.420 -5.277 1.00 0.00 C ATOM 1342 O ILE A 80 5.834 -3.529 -4.753 1.00 0.00 O ATOM 1343 CB ILE A 80 7.730 -0.728 -5.149 1.00 0.00 C ATOM 1344 CG1 ILE A 80 9.057 -0.259 -5.753 1.00 0.00 C ATOM 1345 CG2 ILE A 80 7.911 -1.107 -3.687 1.00 0.00 C ATOM 1346 CD1 ILE A 80 10.168 -1.279 -5.651 1.00 0.00 C ATOM 0 H ILE A 80 7.088 -0.574 -7.554 1.00 0.00 H new ATOM 0 HA ILE A 80 7.914 -2.713 -5.947 1.00 0.00 H new ATOM 0 HB ILE A 80 7.017 0.095 -5.204 1.00 0.00 H new ATOM 0 HG12 ILE A 80 8.900 -0.010 -6.803 1.00 0.00 H new ATOM 0 HG13 ILE A 80 9.370 0.657 -5.252 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.309 -0.254 -3.137 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.949 -1.395 -3.264 1.00 0.00 H new ATOM 0 HG23 ILE A 80 8.605 -1.944 -3.611 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.075 -0.875 -6.100 1.00 0.00 H new ATOM 0 HD12 ILE A 80 10.354 -1.511 -4.602 1.00 0.00 H new ATOM 0 HD13 ILE A 80 9.877 -2.188 -6.177 1.00 0.00 H new ATOM 1358 N LEU A 81 4.791 -1.617 -5.390 1.00 0.00 N ATOM 1359 CA LEU A 81 3.485 -1.907 -4.758 1.00 0.00 C ATOM 1360 C LEU A 81 2.815 -3.146 -5.392 1.00 0.00 C ATOM 1361 O LEU A 81 2.291 -3.987 -4.667 1.00 0.00 O ATOM 1362 CB LEU A 81 2.563 -0.686 -4.870 1.00 0.00 C ATOM 1363 CG LEU A 81 2.809 0.416 -3.831 1.00 0.00 C ATOM 1364 CD1 LEU A 81 2.041 1.673 -4.213 1.00 0.00 C ATOM 1365 CD2 LEU A 81 2.385 -0.078 -2.456 1.00 0.00 C ATOM 0 H LEU A 81 4.800 -0.747 -5.923 1.00 0.00 H new ATOM 0 HA LEU A 81 3.661 -2.126 -3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.675 -0.256 -5.865 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.530 -1.022 -4.782 1.00 0.00 H new ATOM 0 HG LEU A 81 3.871 0.660 -3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.222 2.450 -3.470 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.376 2.021 -5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.975 1.450 -4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.560 0.705 -1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.325 -0.332 -2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.966 -0.962 -2.192 1.00 0.00 H new ATOM 1377 N ASN A 82 2.879 -3.250 -6.740 1.00 0.00 N ATOM 1378 CA ASN A 82 2.247 -4.345 -7.530 1.00 0.00 C ATOM 1379 C ASN A 82 2.797 -5.710 -7.097 1.00 0.00 C ATOM 1380 O ASN A 82 2.051 -6.688 -6.959 1.00 0.00 O ATOM 1381 CB ASN A 82 2.444 -4.156 -9.022 1.00 0.00 C ATOM 1382 CG ASN A 82 1.568 -3.087 -9.617 1.00 0.00 C ATOM 1383 OD1 ASN A 82 0.560 -2.683 -9.027 1.00 0.00 O ATOM 1384 ND2 ASN A 82 1.902 -2.687 -10.818 1.00 0.00 N ATOM 0 H ASN A 82 3.374 -2.572 -7.320 1.00 0.00 H new ATOM 0 HA ASN A 82 1.176 -4.309 -7.329 1.00 0.00 H new ATOM 0 HB2 ASN A 82 3.488 -3.906 -9.213 1.00 0.00 H new ATOM 0 HB3 ASN A 82 2.245 -5.100 -9.528 1.00 0.00 H new ATOM 0 HD21 ASN A 82 1.319 -2.010 -11.311 1.00 0.00 H new ATOM 0 HD22 ASN A 82 2.745 -3.052 -11.261 1.00 0.00 H new ATOM 1391 N LYS A 83 4.119 -5.730 -6.857 1.00 0.00 N ATOM 1392 CA LYS A 83 4.829 -6.910 -6.356 1.00 0.00 C ATOM 1393 C LYS A 83 4.385 -7.245 -4.925 1.00 0.00 C ATOM 1394 O LYS A 83 4.138 -8.401 -4.620 1.00 0.00 O ATOM 1395 CB LYS A 83 6.342 -6.687 -6.403 1.00 0.00 C ATOM 1396 CG LYS A 83 7.165 -7.832 -5.825 1.00 0.00 C ATOM 1397 CD LYS A 83 6.917 -9.128 -6.583 1.00 0.00 C ATOM 1398 CE LYS A 83 8.064 -10.110 -6.390 1.00 0.00 C ATOM 1399 NZ LYS A 83 8.188 -10.548 -4.974 1.00 0.00 N ATOM 0 H LYS A 83 4.724 -4.923 -7.007 1.00 0.00 H new ATOM 0 HA LYS A 83 4.581 -7.754 -7.000 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.641 -6.527 -7.439 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.580 -5.774 -5.858 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.224 -7.580 -5.869 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.913 -7.969 -4.773 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.987 -9.580 -6.240 1.00 0.00 H new ATOM 0 HD3 LYS A 83 6.794 -8.913 -7.645 1.00 0.00 H new ATOM 0 HE2 LYS A 83 7.907 -10.981 -7.027 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.997 -9.645 -6.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.001 -11.189 -4.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.329 -9.717 -4.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.320 -11.044 -4.687 1.00 0.00 H new ATOM 1413 N VAL A 84 4.218 -6.201 -4.088 1.00 0.00 N ATOM 1414 CA VAL A 84 3.778 -6.343 -2.684 1.00 0.00 C ATOM 1415 C VAL A 84 2.348 -6.890 -2.623 1.00 0.00 C ATOM 1416 O VAL A 84 2.036 -7.739 -1.789 1.00 0.00 O ATOM 1417 CB VAL A 84 3.838 -5.003 -1.925 1.00 0.00 C ATOM 1418 CG1 VAL A 84 3.142 -5.123 -0.577 1.00 0.00 C ATOM 1419 CG2 VAL A 84 5.281 -4.560 -1.740 1.00 0.00 C ATOM 0 H VAL A 84 4.385 -5.234 -4.366 1.00 0.00 H new ATOM 0 HA VAL A 84 4.463 -7.042 -2.204 1.00 0.00 H new ATOM 0 HB VAL A 84 3.318 -4.249 -2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.194 -4.168 -0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.098 -5.397 -0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.635 -5.890 0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.305 -3.612 -1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.823 -5.314 -1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.751 -4.436 -2.715 1.00 0.00 H new ATOM 1429 N PHE A 85 1.508 -6.400 -3.546 1.00 0.00 N ATOM 1430 CA PHE A 85 0.116 -6.844 -3.686 1.00 0.00 C ATOM 1431 C PHE A 85 0.062 -8.335 -4.067 1.00 0.00 C ATOM 1432 O PHE A 85 -0.727 -9.084 -3.498 1.00 0.00 O ATOM 1433 CB PHE A 85 -0.614 -5.999 -4.731 1.00 0.00 C ATOM 1434 CG PHE A 85 -0.752 -4.551 -4.353 1.00 0.00 C ATOM 1435 CD1 PHE A 85 -0.793 -4.169 -3.020 1.00 0.00 C ATOM 1436 CD2 PHE A 85 -0.842 -3.570 -5.328 1.00 0.00 C ATOM 1437 CE1 PHE A 85 -0.919 -2.838 -2.671 1.00 0.00 C ATOM 1438 CE2 PHE A 85 -0.967 -2.239 -4.982 1.00 0.00 C ATOM 1439 CZ PHE A 85 -1.006 -1.873 -3.651 1.00 0.00 C ATOM 0 H PHE A 85 1.777 -5.682 -4.218 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.385 -6.714 -2.727 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.079 -6.068 -5.678 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.607 -6.418 -4.894 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.726 -4.920 -2.247 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.814 -3.850 -6.371 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.949 -2.554 -1.630 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -1.034 -1.485 -5.752 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.104 -0.833 -3.379 1.00 0.00 H new ATOM 1449 N ALA A 86 0.959 -8.756 -4.977 1.00 0.00 N ATOM 1450 CA ALA A 86 1.148 -10.179 -5.343 1.00 0.00 C ATOM 1451 C ALA A 86 1.711 -11.009 -4.158 1.00 0.00 C ATOM 1452 O ALA A 86 1.454 -12.213 -4.061 1.00 0.00 O ATOM 1453 CB ALA A 86 2.070 -10.290 -6.569 1.00 0.00 C ATOM 0 H ALA A 86 1.576 -8.121 -5.483 1.00 0.00 H new ATOM 0 HA ALA A 86 0.171 -10.593 -5.593 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.203 -11.340 -6.830 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.622 -9.760 -7.410 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.039 -9.848 -6.337 1.00 0.00 H new ATOM 1459 N GLU A 87 2.490 -10.351 -3.272 1.00 0.00 N ATOM 1460 CA GLU A 87 3.076 -10.973 -2.058 1.00 0.00 C ATOM 1461 C GLU A 87 1.998 -11.206 -0.974 1.00 0.00 C ATOM 1462 O GLU A 87 2.171 -12.057 -0.099 1.00 0.00 O ATOM 1463 CB GLU A 87 4.202 -10.103 -1.497 1.00 0.00 C ATOM 1464 CG GLU A 87 5.474 -10.107 -2.333 1.00 0.00 C ATOM 1465 CD GLU A 87 6.162 -11.443 -2.276 1.00 0.00 C ATOM 1466 OE1 GLU A 87 6.381 -11.931 -1.194 1.00 0.00 O ATOM 1467 OE2 GLU A 87 6.366 -12.029 -3.313 1.00 0.00 O ATOM 0 H GLU A 87 2.733 -9.366 -3.377 1.00 0.00 H new ATOM 0 HA GLU A 87 3.487 -11.940 -2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.843 -9.078 -1.408 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.442 -10.445 -0.490 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.232 -9.864 -3.368 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.150 -9.332 -1.973 1.00 0.00 H new ATOM 1474 N LEU A 88 0.891 -10.440 -1.030 1.00 0.00 N ATOM 1475 CA LEU A 88 -0.148 -10.434 0.031 1.00 0.00 C ATOM 1476 C LEU A 88 -1.402 -11.218 -0.417 1.00 0.00 C ATOM 1477 O LEU A 88 -2.307 -11.458 0.391 1.00 0.00 O ATOM 1478 CB LEU A 88 -0.524 -8.994 0.403 1.00 0.00 C ATOM 1479 CG LEU A 88 0.599 -8.171 1.046 1.00 0.00 C ATOM 1480 CD1 LEU A 88 0.129 -6.741 1.281 1.00 0.00 C ATOM 1481 CD2 LEU A 88 1.022 -8.822 2.353 1.00 0.00 C ATOM 0 H LEU A 88 0.688 -9.809 -1.806 1.00 0.00 H new ATOM 0 HA LEU A 88 0.264 -10.928 0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.860 -8.479 -0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.371 -9.022 1.089 1.00 0.00 H new ATOM 0 HG LEU A 88 1.458 -8.141 0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.933 -6.164 1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.147 -6.288 0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.736 -6.747 1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.820 -8.237 2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.170 -8.864 3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.380 -9.833 2.157 1.00 0.00 H new ATOM 1493 N GLY A 89 -1.449 -11.605 -1.708 1.00 0.00 N ATOM 1494 CA GLY A 89 -2.509 -12.478 -2.246 1.00 0.00 C ATOM 1495 C GLY A 89 -3.539 -11.739 -3.100 1.00 0.00 C ATOM 1496 O GLY A 89 -4.661 -12.223 -3.281 1.00 0.00 O ATOM 0 H GLY A 89 -0.757 -11.323 -2.402 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.050 -13.265 -2.845 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.021 -12.966 -1.417 1.00 0.00 H new ATOM 1500 N TYR A 90 -3.174 -10.549 -3.600 1.00 0.00 N ATOM 1501 CA TYR A 90 -4.014 -9.753 -4.518 1.00 0.00 C ATOM 1502 C TYR A 90 -3.636 -10.135 -5.961 1.00 0.00 C ATOM 1503 O TYR A 90 -2.462 -10.044 -6.337 1.00 0.00 O ATOM 1504 CB TYR A 90 -3.829 -8.252 -4.286 1.00 0.00 C ATOM 1505 CG TYR A 90 -4.227 -7.791 -2.901 1.00 0.00 C ATOM 1506 CD1 TYR A 90 -5.545 -7.863 -2.478 1.00 0.00 C ATOM 1507 CD2 TYR A 90 -3.281 -7.288 -2.020 1.00 0.00 C ATOM 1508 CE1 TYR A 90 -5.914 -7.444 -1.214 1.00 0.00 C ATOM 1509 CE2 TYR A 90 -3.638 -6.867 -0.753 1.00 0.00 C ATOM 1510 CZ TYR A 90 -4.957 -6.945 -0.355 1.00 0.00 C ATOM 1511 OH TYR A 90 -5.317 -6.528 0.905 1.00 0.00 O ATOM 0 H TYR A 90 -2.282 -10.106 -3.379 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.066 -9.971 -4.333 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.784 -7.994 -4.458 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.417 -7.705 -5.023 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -6.297 -8.253 -3.148 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.248 -7.224 -2.329 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -6.946 -7.507 -0.900 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -2.889 -6.479 -0.078 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.524 -6.206 1.382 1.00 0.00 H new ATOM 1521 N ASN A 91 -4.621 -10.542 -6.770 1.00 0.00 N ATOM 1522 CA ASN A 91 -4.375 -11.146 -8.099 1.00 0.00 C ATOM 1523 C ASN A 91 -4.813 -10.185 -9.230 1.00 0.00 C ATOM 1524 O ASN A 91 -5.871 -10.379 -9.823 1.00 0.00 O ATOM 1525 CB ASN A 91 -5.077 -12.484 -8.243 1.00 0.00 C ATOM 1526 CG ASN A 91 -4.570 -13.537 -7.299 1.00 0.00 C ATOM 1527 OD1 ASN A 91 -3.419 -13.980 -7.390 1.00 0.00 O ATOM 1528 ND2 ASN A 91 -5.448 -14.000 -6.445 1.00 0.00 N ATOM 0 H ASN A 91 -5.609 -10.466 -6.530 1.00 0.00 H new ATOM 0 HA ASN A 91 -3.302 -11.320 -8.184 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.145 -12.344 -8.077 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -4.958 -12.839 -9.267 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -5.194 -14.761 -5.815 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -6.385 -13.600 -6.410 1.00 0.00 H new ATOM 1535 N ASP A 92 -4.019 -9.109 -9.431 1.00 0.00 N ATOM 1536 CA ASP A 92 -4.121 -8.166 -10.585 1.00 0.00 C ATOM 1537 C ASP A 92 -5.443 -7.351 -10.625 1.00 0.00 C ATOM 1538 O ASP A 92 -5.418 -6.125 -10.504 1.00 0.00 O ATOM 1539 CB ASP A 92 -3.965 -8.936 -11.898 1.00 0.00 C ATOM 1540 CG ASP A 92 -2.551 -9.433 -12.171 1.00 0.00 C ATOM 1541 OD1 ASP A 92 -1.649 -8.997 -11.497 1.00 0.00 O ATOM 1542 OD2 ASP A 92 -2.404 -10.354 -12.939 1.00 0.00 O ATOM 0 H ASP A 92 -3.270 -8.860 -8.785 1.00 0.00 H new ATOM 0 HA ASP A 92 -3.315 -7.444 -10.453 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.642 -9.790 -11.887 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.277 -8.293 -12.721 1.00 0.00 H new ATOM 1547 N SER A 93 -6.577 -8.051 -10.820 1.00 0.00 N ATOM 1548 CA SER A 93 -7.931 -7.460 -10.968 1.00 0.00 C ATOM 1549 C SER A 93 -8.405 -6.740 -9.685 1.00 0.00 C ATOM 1550 O SER A 93 -9.237 -5.827 -9.746 1.00 0.00 O ATOM 1551 CB SER A 93 -8.925 -8.538 -11.354 1.00 0.00 C ATOM 1552 OG SER A 93 -9.096 -9.486 -10.336 1.00 0.00 O ATOM 0 H SER A 93 -6.582 -9.069 -10.881 1.00 0.00 H new ATOM 0 HA SER A 93 -7.872 -6.709 -11.756 1.00 0.00 H new ATOM 0 HB2 SER A 93 -9.886 -8.078 -11.586 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.584 -9.038 -12.261 1.00 0.00 H new ATOM 0 HG SER A 93 -9.745 -10.162 -10.624 1.00 0.00 H new ATOM 1558 N ASN A 94 -7.884 -7.194 -8.536 1.00 0.00 N ATOM 1559 CA ASN A 94 -8.196 -6.613 -7.216 1.00 0.00 C ATOM 1560 C ASN A 94 -7.612 -5.193 -7.086 1.00 0.00 C ATOM 1561 O ASN A 94 -8.146 -4.350 -6.366 1.00 0.00 O ATOM 1562 CB ASN A 94 -7.692 -7.494 -6.087 1.00 0.00 C ATOM 1563 CG ASN A 94 -8.490 -8.755 -5.901 1.00 0.00 C ATOM 1564 OD1 ASN A 94 -9.643 -8.853 -6.336 1.00 0.00 O ATOM 1565 ND2 ASN A 94 -7.914 -9.687 -5.188 1.00 0.00 N ATOM 0 H ASN A 94 -7.232 -7.977 -8.493 1.00 0.00 H new ATOM 0 HA ASN A 94 -9.281 -6.551 -7.138 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -6.652 -7.758 -6.281 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -7.709 -6.924 -5.158 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -8.419 -10.545 -4.967 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -6.959 -9.556 -4.853 1.00 0.00 H new ATOM 1572 N VAL A 95 -6.540 -4.950 -7.853 1.00 0.00 N ATOM 1573 CA VAL A 95 -5.711 -3.735 -7.785 1.00 0.00 C ATOM 1574 C VAL A 95 -6.114 -2.750 -8.903 1.00 0.00 C ATOM 1575 O VAL A 95 -6.024 -3.097 -10.078 1.00 0.00 O ATOM 1576 CB VAL A 95 -4.211 -4.061 -7.909 1.00 0.00 C ATOM 1577 CG1 VAL A 95 -3.381 -2.788 -7.835 1.00 0.00 C ATOM 1578 CG2 VAL A 95 -3.787 -5.035 -6.820 1.00 0.00 C ATOM 0 H VAL A 95 -6.215 -5.611 -8.558 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.883 -3.278 -6.810 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.039 -4.529 -8.878 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.324 -3.037 -7.924 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.666 -2.120 -8.648 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.558 -2.293 -6.880 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.724 -5.255 -6.922 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.973 -4.591 -5.842 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.359 -5.958 -6.914 1.00 0.00 H new ATOM 1588 N THR A 96 -6.591 -1.546 -8.537 1.00 0.00 N ATOM 1589 CA THR A 96 -6.949 -0.490 -9.510 1.00 0.00 C ATOM 1590 C THR A 96 -6.091 0.764 -9.273 1.00 0.00 C ATOM 1591 O THR A 96 -6.124 1.323 -8.186 1.00 0.00 O ATOM 1592 CB THR A 96 -8.438 -0.108 -9.423 1.00 0.00 C ATOM 1593 OG1 THR A 96 -9.247 -1.257 -9.708 1.00 0.00 O ATOM 1594 CG2 THR A 96 -8.765 0.996 -10.416 1.00 0.00 C ATOM 0 H THR A 96 -6.740 -1.276 -7.565 1.00 0.00 H new ATOM 0 HA THR A 96 -6.757 -0.891 -10.505 1.00 0.00 H new ATOM 0 HB THR A 96 -8.646 0.251 -8.415 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.194 -1.013 -9.650 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.822 1.253 -10.340 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.161 1.876 -10.194 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.547 0.652 -11.427 1.00 0.00 H new ATOM 1602 N TRP A 97 -5.326 1.191 -10.293 1.00 0.00 N ATOM 1603 CA TRP A 97 -4.474 2.397 -10.210 1.00 0.00 C ATOM 1604 C TRP A 97 -5.245 3.637 -10.708 1.00 0.00 C ATOM 1605 O TRP A 97 -5.905 3.593 -11.755 1.00 0.00 O ATOM 1606 CB TRP A 97 -3.167 2.190 -11.021 1.00 0.00 C ATOM 1607 CG TRP A 97 -2.077 1.467 -10.248 1.00 0.00 C ATOM 1608 CD1 TRP A 97 -1.802 0.119 -10.248 1.00 0.00 C ATOM 1609 CD2 TRP A 97 -1.120 2.064 -9.350 1.00 0.00 C ATOM 1610 NE1 TRP A 97 -0.736 -0.145 -9.419 1.00 0.00 N ATOM 1611 CE2 TRP A 97 -0.305 1.030 -8.856 1.00 0.00 C ATOM 1612 CE3 TRP A 97 -0.878 3.373 -8.920 1.00 0.00 C ATOM 1613 CZ2 TRP A 97 0.734 1.268 -7.962 1.00 0.00 C ATOM 1614 CZ3 TRP A 97 0.154 3.606 -8.026 1.00 0.00 C ATOM 1615 CH2 TRP A 97 0.949 2.557 -7.556 1.00 0.00 C ATOM 0 H TRP A 97 -5.279 0.715 -11.194 1.00 0.00 H new ATOM 0 HA TRP A 97 -4.204 2.565 -9.167 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -3.396 1.624 -11.924 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -2.790 3.162 -11.340 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -2.344 -0.623 -10.816 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -0.331 -1.066 -9.250 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -1.487 4.190 -9.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.352 0.460 -7.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 0.347 4.613 -7.687 1.00 0.00 H new ATOM 0 HH2 TRP A 97 1.747 2.768 -6.860 1.00 0.00 H new ATOM 1626 N ASP A 98 -5.132 4.738 -9.947 1.00 0.00 N ATOM 1627 CA ASP A 98 -5.669 6.058 -10.303 1.00 0.00 C ATOM 1628 C ASP A 98 -4.705 7.159 -9.778 1.00 0.00 C ATOM 1629 O ASP A 98 -4.786 7.599 -8.624 1.00 0.00 O ATOM 1630 CB ASP A 98 -7.075 6.247 -9.729 1.00 0.00 C ATOM 1631 CG ASP A 98 -7.756 7.543 -10.148 1.00 0.00 C ATOM 1632 OD1 ASP A 98 -7.128 8.336 -10.808 1.00 0.00 O ATOM 1633 OD2 ASP A 98 -8.941 7.662 -9.941 1.00 0.00 O ATOM 0 H ASP A 98 -4.653 4.733 -9.046 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.745 6.134 -11.388 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.697 5.407 -10.039 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.017 6.216 -8.641 1.00 0.00 H new ATOM 1638 N GLY A 99 -3.743 7.546 -10.644 1.00 0.00 N ATOM 1639 CA GLY A 99 -2.754 8.584 -10.331 1.00 0.00 C ATOM 1640 C GLY A 99 -1.717 8.131 -9.304 1.00 0.00 C ATOM 1641 O GLY A 99 -1.050 7.108 -9.494 1.00 0.00 O ATOM 0 H GLY A 99 -3.636 7.145 -11.576 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.244 8.880 -11.248 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.269 9.467 -9.953 1.00 0.00 H new ATOM 1645 N ASP A 100 -1.582 8.907 -8.219 1.00 0.00 N ATOM 1646 CA ASP A 100 -0.564 8.694 -7.153 1.00 0.00 C ATOM 1647 C ASP A 100 -1.130 7.776 -6.053 1.00 0.00 C ATOM 1648 O ASP A 100 -0.467 7.483 -5.054 1.00 0.00 O ATOM 1649 CB ASP A 100 -0.116 10.026 -6.547 1.00 0.00 C ATOM 1650 CG ASP A 100 -1.208 10.775 -5.796 1.00 0.00 C ATOM 1651 OD1 ASP A 100 -2.308 10.280 -5.738 1.00 0.00 O ATOM 1652 OD2 ASP A 100 -0.899 11.753 -5.157 1.00 0.00 O ATOM 0 H ASP A 100 -2.180 9.715 -8.045 1.00 0.00 H new ATOM 0 HA ASP A 100 0.305 8.216 -7.605 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.714 9.840 -5.866 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.263 10.665 -7.345 1.00 0.00 H new ATOM 1657 N THR A 101 -2.372 7.339 -6.279 1.00 0.00 N ATOM 1658 CA THR A 101 -3.151 6.509 -5.364 1.00 0.00 C ATOM 1659 C THR A 101 -3.627 5.224 -6.066 1.00 0.00 C ATOM 1660 O THR A 101 -4.103 5.276 -7.194 1.00 0.00 O ATOM 1661 CB THR A 101 -4.369 7.273 -4.811 1.00 0.00 C ATOM 1662 OG1 THR A 101 -3.929 8.467 -4.151 1.00 0.00 O ATOM 1663 CG2 THR A 101 -5.139 6.407 -3.825 1.00 0.00 C ATOM 0 H THR A 101 -2.878 7.563 -7.136 1.00 0.00 H new ATOM 0 HA THR A 101 -2.499 6.245 -4.531 1.00 0.00 H new ATOM 0 HB THR A 101 -5.025 7.531 -5.642 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.460 9.041 -4.792 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.996 6.963 -3.445 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.486 5.504 -4.328 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.487 6.133 -2.996 1.00 0.00 H new ATOM 1671 N VAL A 102 -3.417 4.080 -5.410 1.00 0.00 N ATOM 1672 CA VAL A 102 -3.858 2.765 -5.880 1.00 0.00 C ATOM 1673 C VAL A 102 -4.876 2.192 -4.865 1.00 0.00 C ATOM 1674 O VAL A 102 -4.637 2.162 -3.650 1.00 0.00 O ATOM 1675 CB VAL A 102 -2.679 1.789 -6.050 1.00 0.00 C ATOM 1676 CG1 VAL A 102 -1.955 1.592 -4.727 1.00 0.00 C ATOM 1677 CG2 VAL A 102 -3.167 0.454 -6.593 1.00 0.00 C ATOM 0 H VAL A 102 -2.925 4.042 -4.518 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.320 2.885 -6.860 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.978 2.218 -6.766 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.125 0.899 -4.866 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -1.573 2.550 -4.375 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -2.648 1.185 -3.990 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -2.321 -0.224 -6.707 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.888 0.021 -5.900 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.642 0.607 -7.562 1.00 0.00 H new ATOM 1687 N THR A 103 -6.041 1.777 -5.378 1.00 0.00 N ATOM 1688 CA THR A 103 -7.133 1.246 -4.574 1.00 0.00 C ATOM 1689 C THR A 103 -7.271 -0.264 -4.854 1.00 0.00 C ATOM 1690 O THR A 103 -7.404 -0.692 -6.011 1.00 0.00 O ATOM 1691 CB THR A 103 -8.465 1.960 -4.871 1.00 0.00 C ATOM 1692 OG1 THR A 103 -8.350 3.349 -4.539 1.00 0.00 O ATOM 1693 CG2 THR A 103 -9.594 1.341 -4.061 1.00 0.00 C ATOM 0 H THR A 103 -6.248 1.804 -6.376 1.00 0.00 H new ATOM 0 HA THR A 103 -6.901 1.417 -3.523 1.00 0.00 H new ATOM 0 HB THR A 103 -8.690 1.850 -5.932 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.382 3.456 -3.565 1.00 0.00 H new ATOM 0 HG21 THR A 103 -10.527 1.858 -4.284 1.00 0.00 H new ATOM 0 HG22 THR A 103 -9.692 0.287 -4.320 1.00 0.00 H new ATOM 0 HG23 THR A 103 -9.372 1.434 -2.998 1.00 0.00 H new ATOM 1701 N VAL A 104 -7.157 -1.055 -3.782 1.00 0.00 N ATOM 1702 CA VAL A 104 -7.110 -2.520 -3.824 1.00 0.00 C ATOM 1703 C VAL A 104 -8.276 -3.092 -3.003 1.00 0.00 C ATOM 1704 O VAL A 104 -8.495 -2.677 -1.860 1.00 0.00 O ATOM 1705 CB VAL A 104 -5.778 -3.068 -3.282 1.00 0.00 C ATOM 1706 CG1 VAL A 104 -5.752 -4.588 -3.370 1.00 0.00 C ATOM 1707 CG2 VAL A 104 -4.606 -2.473 -4.046 1.00 0.00 C ATOM 0 H VAL A 104 -7.093 -0.683 -2.834 1.00 0.00 H new ATOM 0 HA VAL A 104 -7.195 -2.828 -4.866 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.689 -2.780 -2.234 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.803 -4.959 -2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.571 -5.001 -2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.864 -4.894 -4.410 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.673 -2.872 -3.649 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.691 -2.731 -5.102 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.613 -1.389 -3.936 1.00 0.00 H new ATOM 1717 N GLU A 105 -9.035 -4.023 -3.597 1.00 0.00 N ATOM 1718 CA GLU A 105 -10.155 -4.689 -2.910 1.00 0.00 C ATOM 1719 C GLU A 105 -9.634 -5.981 -2.253 1.00 0.00 C ATOM 1720 O GLU A 105 -8.868 -6.715 -2.874 1.00 0.00 O ATOM 1721 CB GLU A 105 -11.294 -4.998 -3.884 1.00 0.00 C ATOM 1722 CG GLU A 105 -11.977 -3.768 -4.464 1.00 0.00 C ATOM 1723 CD GLU A 105 -13.178 -3.374 -3.650 1.00 0.00 C ATOM 1724 OE1 GLU A 105 -13.495 -4.073 -2.718 1.00 0.00 O ATOM 1725 OE2 GLU A 105 -13.711 -2.316 -3.888 1.00 0.00 O ATOM 0 H GLU A 105 -8.894 -4.335 -4.558 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.555 -4.023 -2.145 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.902 -5.601 -4.703 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -12.040 -5.605 -3.371 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -11.270 -2.939 -4.498 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -12.281 -3.969 -5.491 1.00 0.00 H new ATOM 1732 N GLY A 106 -10.015 -6.221 -0.996 1.00 0.00 N ATOM 1733 CA GLY A 106 -9.651 -7.453 -0.286 1.00 0.00 C ATOM 1734 C GLY A 106 -10.839 -8.015 0.481 1.00 0.00 C ATOM 1735 O GLY A 106 -11.916 -7.409 0.491 1.00 0.00 O ATOM 0 H GLY A 106 -10.579 -5.575 -0.445 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -9.291 -8.195 -0.999 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.832 -7.250 0.404 1.00 0.00 H new ATOM 1739 N GLN A 107 -10.646 -9.176 1.126 1.00 0.00 N ATOM 1740 CA GLN A 107 -11.704 -9.870 1.888 1.00 0.00 C ATOM 1741 C GLN A 107 -11.070 -10.673 3.038 1.00 0.00 C ATOM 1742 O GLN A 107 -10.036 -11.329 2.839 1.00 0.00 O ATOM 1743 CB GLN A 107 -12.512 -10.802 0.980 1.00 0.00 C ATOM 1744 CG GLN A 107 -11.682 -11.866 0.282 1.00 0.00 C ATOM 1745 CD GLN A 107 -12.506 -12.710 -0.671 1.00 0.00 C ATOM 1746 OE1 GLN A 107 -13.740 -12.660 -0.659 1.00 0.00 O ATOM 1747 NE2 GLN A 107 -11.830 -13.495 -1.501 1.00 0.00 N ATOM 0 H GLN A 107 -9.750 -9.664 1.136 1.00 0.00 H new ATOM 0 HA GLN A 107 -12.384 -9.123 2.297 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.283 -11.291 1.575 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -13.023 -10.203 0.226 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -10.872 -11.388 -0.268 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -11.222 -12.512 1.030 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -10.810 -13.505 -1.477 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -12.330 -14.088 -2.163 1.00 0.00 H new