USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 749 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 95 SER OG : rot -76:sc= 1.03 USER MOD Set 1.2: A 98 GLN : amide:sc= 1.73 K(o=2.8,f=-2!) USER MOD Set 2.1: A 49 TYR OH : rot 132:sc= 0.0107 USER MOD Set 2.2: A 100 LYS NZ :NH3+ 173:sc= 0.69 (180deg=0.58) USER MOD Set 3.1: A 8 THR OG1 : rot 180:sc= 1.51 USER MOD Set 3.2: A 11 SER OG : rot -80:sc= 1.88 USER MOD Single : A 3 LYS NZ :NH3+ -123:sc= 0.447 (180deg=0.0209) USER MOD Single : A 6 HIS : no HE2:sc= -0.155 X(o=-0.15,f=-0.65) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0704 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -114:sc= 0.71 (180deg=-0.202) USER MOD Single : A 37 MET CE :methyl 178:sc= 0 (180deg=-0.0196) USER MOD Single : A 50 GLN : amide:sc= -0.0016 X(o=-0.0016,f=-0.5) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -173:sc= 0.927 (180deg=0.836) USER MOD Single : A 59 ASN : amide:sc= 1.63 K(o=1.6,f=-7.7!) USER MOD Single : A 62 GLN : amide:sc= 0.949 K(o=0.95,f=0) USER MOD Single : A 63 ASN : amide:sc= -0.038 K(o=-0.038,f=-4.7!) USER MOD Single : A 66 THR OG1 : rot 73:sc= 1.1 USER MOD Single : A 69 LYS NZ :NH3+ -171:sc= 0.547 (180deg=0.509) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 22:sc= 0.365 USER MOD Single : A 90 LYS NZ :NH3+ 150:sc= 1.92 (180deg=0.701) USER MOD Single : A 96 LYS NZ :NH3+ -178:sc= 0.524 (180deg=0.521) USER MOD Single : A 106 ASN : amide:sc= 1.06 K(o=1.1,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 24 N LYS A 3 4.208 -8.882 1.120 1.00 0.00 N ATOM 25 CA LYS A 3 2.952 -8.771 1.847 1.00 0.00 C ATOM 26 C LYS A 3 2.006 -7.934 0.977 1.00 0.00 C ATOM 27 O LYS A 3 1.236 -7.121 1.482 1.00 0.00 O ATOM 28 CB LYS A 3 3.194 -8.111 3.212 1.00 0.00 C ATOM 29 CG LYS A 3 4.195 -8.893 4.070 1.00 0.00 C ATOM 30 CD LYS A 3 4.386 -8.186 5.419 1.00 0.00 C ATOM 31 CE LYS A 3 5.347 -8.956 6.333 1.00 0.00 C ATOM 32 NZ LYS A 3 6.704 -9.049 5.763 1.00 0.00 N ATOM 0 HA LYS A 3 2.513 -9.750 2.040 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.563 -7.097 3.062 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.247 -8.030 3.746 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.835 -9.910 4.229 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.150 -8.971 3.551 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.771 -7.180 5.251 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.421 -8.079 5.914 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.396 -8.463 7.304 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.957 -9.959 6.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.979 -10.049 5.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.716 -8.609 4.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.376 -8.555 6.384 1.00 0.00 H new ATOM 46 N ILE A 4 2.106 -8.103 -0.346 1.00 0.00 N ATOM 47 CA ILE A 4 1.346 -7.321 -1.306 1.00 0.00 C ATOM 48 C ILE A 4 -0.041 -7.917 -1.524 1.00 0.00 C ATOM 49 O ILE A 4 -0.193 -9.132 -1.639 1.00 0.00 O ATOM 50 CB ILE A 4 2.136 -7.184 -2.617 1.00 0.00 C ATOM 51 CG1 ILE A 4 3.473 -6.480 -2.314 1.00 0.00 C ATOM 52 CG2 ILE A 4 1.317 -6.408 -3.653 1.00 0.00 C ATOM 53 CD1 ILE A 4 4.241 -6.066 -3.566 1.00 0.00 C ATOM 0 H ILE A 4 2.723 -8.793 -0.776 1.00 0.00 H new ATOM 0 HA ILE A 4 1.193 -6.319 -0.906 1.00 0.00 H new ATOM 0 HB ILE A 4 2.340 -8.169 -3.038 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.279 -5.595 -1.707 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.098 -7.145 -1.718 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.889 -6.319 -4.576 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.386 -6.939 -3.853 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.092 -5.413 -3.268 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.171 -5.577 -3.277 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.466 -6.949 -4.164 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.635 -5.376 -4.153 1.00 0.00 H new ATOM 65 N ILE A 5 -1.051 -7.046 -1.600 1.00 0.00 N ATOM 66 CA ILE A 5 -2.436 -7.442 -1.811 1.00 0.00 C ATOM 67 C ILE A 5 -2.776 -7.452 -3.297 1.00 0.00 C ATOM 68 O ILE A 5 -2.801 -6.417 -3.954 1.00 0.00 O ATOM 69 CB ILE A 5 -3.383 -6.540 -0.999 1.00 0.00 C ATOM 70 CG1 ILE A 5 -2.981 -6.434 0.485 1.00 0.00 C ATOM 71 CG2 ILE A 5 -4.839 -7.008 -1.136 1.00 0.00 C ATOM 72 CD1 ILE A 5 -2.880 -7.779 1.213 1.00 0.00 C ATOM 0 H ILE A 5 -0.923 -6.038 -1.515 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.571 -8.461 -1.449 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.295 -5.539 -1.421 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.019 -5.925 0.553 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.709 -5.809 1.002 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.488 -6.354 -0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.136 -6.972 -2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.929 -8.030 -0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.592 -7.610 2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.846 -8.283 1.182 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.130 -8.401 0.725 1.00 0.00 H new ATOM 84 N HIS A 6 -3.042 -8.644 -3.821 1.00 0.00 N ATOM 85 CA HIS A 6 -3.378 -8.870 -5.212 1.00 0.00 C ATOM 86 C HIS A 6 -4.872 -8.635 -5.414 1.00 0.00 C ATOM 87 O HIS A 6 -5.686 -9.497 -5.092 1.00 0.00 O ATOM 88 CB HIS A 6 -2.890 -10.275 -5.578 1.00 0.00 C ATOM 89 CG HIS A 6 -1.387 -10.337 -5.437 1.00 0.00 C ATOM 90 ND1 HIS A 6 -0.668 -10.825 -4.356 1.00 0.00 N ATOM 91 CD2 HIS A 6 -0.557 -9.510 -6.133 1.00 0.00 C ATOM 92 CE1 HIS A 6 0.582 -10.328 -4.439 1.00 0.00 C ATOM 93 NE2 HIS A 6 0.673 -9.542 -5.521 1.00 0.00 N ATOM 0 H HIS A 6 -3.028 -9.501 -3.269 1.00 0.00 H new ATOM 0 HA HIS A 6 -2.885 -8.172 -5.889 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.358 -11.015 -4.929 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -3.181 -10.518 -6.600 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -1.021 -11.448 -3.629 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -0.819 -8.933 -7.008 1.00 0.00 H new ATOM 0 HE1 HIS A 6 1.383 -10.531 -3.744 1.00 0.00 H new ATOM 102 N LEU A 7 -5.220 -7.450 -5.918 1.00 0.00 N ATOM 103 CA LEU A 7 -6.590 -7.025 -6.130 1.00 0.00 C ATOM 104 C LEU A 7 -7.119 -7.499 -7.478 1.00 0.00 C ATOM 105 O LEU A 7 -6.372 -7.944 -8.348 1.00 0.00 O ATOM 106 CB LEU A 7 -6.626 -5.491 -6.138 1.00 0.00 C ATOM 107 CG LEU A 7 -6.181 -4.837 -4.827 1.00 0.00 C ATOM 108 CD1 LEU A 7 -6.034 -3.339 -5.086 1.00 0.00 C ATOM 109 CD2 LEU A 7 -7.215 -5.058 -3.722 1.00 0.00 C ATOM 0 H LEU A 7 -4.534 -6.747 -6.194 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.204 -7.448 -5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.988 -5.130 -6.944 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.641 -5.165 -6.365 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.240 -5.279 -4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.717 -2.841 -4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.289 -3.176 -5.864 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.991 -2.930 -5.409 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.872 -4.583 -2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.168 -4.622 -4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.343 -6.127 -3.552 1.00 0.00 H new ATOM 121 N THR A 8 -8.422 -7.301 -7.652 1.00 0.00 N ATOM 122 CA THR A 8 -9.153 -7.496 -8.880 1.00 0.00 C ATOM 123 C THR A 8 -10.094 -6.314 -9.003 1.00 0.00 C ATOM 124 O THR A 8 -10.368 -5.619 -8.024 1.00 0.00 O ATOM 125 CB THR A 8 -10.000 -8.778 -8.861 1.00 0.00 C ATOM 126 OG1 THR A 8 -10.896 -8.782 -7.761 1.00 0.00 O ATOM 127 CG2 THR A 8 -9.115 -10.024 -8.793 1.00 0.00 C ATOM 0 H THR A 8 -9.022 -6.982 -6.891 1.00 0.00 H new ATOM 0 HA THR A 8 -8.449 -7.581 -9.708 1.00 0.00 H new ATOM 0 HB THR A 8 -10.572 -8.798 -9.789 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.424 -9.607 -7.772 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.742 -10.915 -8.781 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.460 -10.053 -9.664 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.512 -9.993 -7.886 1.00 0.00 H new ATOM 135 N ASP A 9 -10.657 -6.152 -10.195 1.00 0.00 N ATOM 136 CA ASP A 9 -11.713 -5.192 -10.445 1.00 0.00 C ATOM 137 C ASP A 9 -12.843 -5.406 -9.430 1.00 0.00 C ATOM 138 O ASP A 9 -13.390 -4.448 -8.891 1.00 0.00 O ATOM 139 CB ASP A 9 -12.212 -5.368 -11.886 1.00 0.00 C ATOM 140 CG ASP A 9 -12.466 -6.819 -12.285 1.00 0.00 C ATOM 141 OD1 ASP A 9 -11.456 -7.547 -12.420 1.00 0.00 O ATOM 142 OD2 ASP A 9 -13.655 -7.170 -12.437 1.00 0.00 O ATOM 0 H ASP A 9 -10.387 -6.690 -11.018 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.343 -4.173 -10.329 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -13.135 -4.801 -12.011 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -11.479 -4.938 -12.568 1.00 0.00 H new ATOM 147 N ASP A 10 -13.174 -6.675 -9.168 1.00 0.00 N ATOM 148 CA ASP A 10 -14.227 -7.083 -8.248 1.00 0.00 C ATOM 149 C ASP A 10 -13.923 -6.660 -6.808 1.00 0.00 C ATOM 150 O ASP A 10 -14.790 -6.121 -6.125 1.00 0.00 O ATOM 151 CB ASP A 10 -14.424 -8.608 -8.297 1.00 0.00 C ATOM 152 CG ASP A 10 -14.436 -9.164 -9.716 1.00 0.00 C ATOM 153 OD1 ASP A 10 -13.316 -9.323 -10.253 1.00 0.00 O ATOM 154 OD2 ASP A 10 -15.546 -9.417 -10.229 1.00 0.00 O ATOM 0 H ASP A 10 -12.700 -7.465 -9.606 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.141 -6.582 -8.567 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -13.627 -9.090 -7.731 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -15.363 -8.863 -7.805 1.00 0.00 H new ATOM 159 N SER A 11 -12.703 -6.925 -6.331 1.00 0.00 N ATOM 160 CA SER A 11 -12.341 -6.645 -4.944 1.00 0.00 C ATOM 161 C SER A 11 -12.043 -5.163 -4.719 1.00 0.00 C ATOM 162 O SER A 11 -12.189 -4.675 -3.598 1.00 0.00 O ATOM 163 CB SER A 11 -11.147 -7.513 -4.533 1.00 0.00 C ATOM 164 OG SER A 11 -10.112 -7.436 -5.494 1.00 0.00 O ATOM 0 H SER A 11 -11.952 -7.333 -6.887 1.00 0.00 H new ATOM 0 HA SER A 11 -13.196 -6.894 -4.315 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.773 -7.187 -3.563 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.467 -8.549 -4.420 1.00 0.00 H new ATOM 0 HG SER A 11 -10.319 -8.030 -6.246 1.00 0.00 H new ATOM 170 N PHE A 12 -11.616 -4.460 -5.772 1.00 0.00 N ATOM 171 CA PHE A 12 -11.262 -3.049 -5.755 1.00 0.00 C ATOM 172 C PHE A 12 -12.123 -2.205 -4.812 1.00 0.00 C ATOM 173 O PHE A 12 -11.596 -1.501 -3.957 1.00 0.00 O ATOM 174 CB PHE A 12 -11.320 -2.479 -7.177 1.00 0.00 C ATOM 175 CG PHE A 12 -10.461 -1.248 -7.331 1.00 0.00 C ATOM 176 CD1 PHE A 12 -10.948 0.022 -6.965 1.00 0.00 C ATOM 177 CD2 PHE A 12 -9.102 -1.408 -7.650 1.00 0.00 C ATOM 178 CE1 PHE A 12 -10.079 1.124 -6.955 1.00 0.00 C ATOM 179 CE2 PHE A 12 -8.269 -0.288 -7.759 1.00 0.00 C ATOM 180 CZ PHE A 12 -8.759 0.981 -7.413 1.00 0.00 C ATOM 0 H PHE A 12 -11.505 -4.881 -6.694 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.245 -2.993 -5.366 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.993 -3.240 -7.886 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.352 -2.234 -7.427 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.986 0.147 -6.693 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.699 -2.397 -7.811 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.425 2.082 -6.595 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.253 -0.400 -8.108 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.121 1.848 -7.499 1.00 0.00 H new ATOM 190 N ASP A 13 -13.449 -2.264 -4.962 1.00 0.00 N ATOM 191 CA ASP A 13 -14.357 -1.496 -4.121 1.00 0.00 C ATOM 192 C ASP A 13 -14.106 -1.782 -2.638 1.00 0.00 C ATOM 193 O ASP A 13 -13.707 -0.905 -1.872 1.00 0.00 O ATOM 194 CB ASP A 13 -15.811 -1.809 -4.502 1.00 0.00 C ATOM 195 CG ASP A 13 -16.786 -1.208 -3.492 1.00 0.00 C ATOM 196 OD1 ASP A 13 -16.978 0.025 -3.551 1.00 0.00 O ATOM 197 OD2 ASP A 13 -17.302 -1.992 -2.665 1.00 0.00 O ATOM 0 H ASP A 13 -13.915 -2.840 -5.663 1.00 0.00 H new ATOM 0 HA ASP A 13 -14.172 -0.435 -4.286 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -16.023 -1.414 -5.496 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -15.953 -2.889 -4.551 1.00 0.00 H new ATOM 202 N THR A 14 -14.371 -3.022 -2.240 1.00 0.00 N ATOM 203 CA THR A 14 -14.270 -3.475 -0.868 1.00 0.00 C ATOM 204 C THR A 14 -12.884 -3.245 -0.271 1.00 0.00 C ATOM 205 O THR A 14 -12.770 -2.937 0.911 1.00 0.00 O ATOM 206 CB THR A 14 -14.671 -4.953 -0.836 1.00 0.00 C ATOM 207 OG1 THR A 14 -15.736 -5.158 -1.748 1.00 0.00 O ATOM 208 CG2 THR A 14 -15.107 -5.400 0.561 1.00 0.00 C ATOM 0 H THR A 14 -14.669 -3.755 -2.884 1.00 0.00 H new ATOM 0 HA THR A 14 -14.943 -2.889 -0.243 1.00 0.00 H new ATOM 0 HB THR A 14 -13.800 -5.546 -1.115 1.00 0.00 H new ATOM 0 HG1 THR A 14 -15.999 -6.102 -1.737 1.00 0.00 H new ATOM 0 HG21 THR A 14 -15.382 -6.454 0.536 1.00 0.00 H new ATOM 0 HG22 THR A 14 -14.285 -5.256 1.262 1.00 0.00 H new ATOM 0 HG23 THR A 14 -15.965 -4.808 0.881 1.00 0.00 H new ATOM 216 N ASP A 15 -11.831 -3.424 -1.067 1.00 0.00 N ATOM 217 CA ASP A 15 -10.466 -3.288 -0.588 1.00 0.00 C ATOM 218 C ASP A 15 -9.985 -1.837 -0.629 1.00 0.00 C ATOM 219 O ASP A 15 -9.601 -1.280 0.394 1.00 0.00 O ATOM 220 CB ASP A 15 -9.534 -4.174 -1.425 1.00 0.00 C ATOM 221 CG ASP A 15 -9.671 -5.659 -1.099 1.00 0.00 C ATOM 222 OD1 ASP A 15 -10.808 -6.172 -1.193 1.00 0.00 O ATOM 223 OD2 ASP A 15 -8.628 -6.263 -0.771 1.00 0.00 O ATOM 0 H ASP A 15 -11.904 -3.666 -2.055 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.446 -3.609 0.454 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.747 -4.019 -2.483 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.502 -3.865 -1.259 1.00 0.00 H new ATOM 228 N VAL A 16 -9.957 -1.242 -1.822 1.00 0.00 N ATOM 229 CA VAL A 16 -9.392 0.077 -2.059 1.00 0.00 C ATOM 230 C VAL A 16 -10.342 1.199 -1.656 1.00 0.00 C ATOM 231 O VAL A 16 -9.945 2.132 -0.955 1.00 0.00 O ATOM 232 CB VAL A 16 -8.988 0.211 -3.537 1.00 0.00 C ATOM 233 CG1 VAL A 16 -8.208 1.508 -3.759 1.00 0.00 C ATOM 234 CG2 VAL A 16 -8.119 -0.963 -3.997 1.00 0.00 C ATOM 0 H VAL A 16 -10.335 -1.676 -2.664 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.508 0.176 -1.429 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.909 0.218 -4.120 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.929 1.589 -4.809 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.830 2.359 -3.482 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.308 1.501 -3.144 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.855 -0.831 -5.046 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.210 -1.001 -3.396 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.672 -1.894 -3.877 1.00 0.00 H new ATOM 244 N LEU A 17 -11.596 1.146 -2.110 1.00 0.00 N ATOM 245 CA LEU A 17 -12.507 2.243 -1.811 1.00 0.00 C ATOM 246 C LEU A 17 -12.800 2.321 -0.315 1.00 0.00 C ATOM 247 O LEU A 17 -12.937 3.415 0.224 1.00 0.00 O ATOM 248 CB LEU A 17 -13.731 2.257 -2.731 1.00 0.00 C ATOM 249 CG LEU A 17 -13.331 2.325 -4.219 1.00 0.00 C ATOM 250 CD1 LEU A 17 -14.585 2.505 -5.077 1.00 0.00 C ATOM 251 CD2 LEU A 17 -12.370 3.478 -4.543 1.00 0.00 C ATOM 0 H LEU A 17 -11.989 0.385 -2.664 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.010 3.184 -2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.327 1.361 -2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.361 3.112 -2.485 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.817 1.389 -4.438 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.302 2.553 -6.129 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -15.257 1.662 -4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -15.090 3.429 -4.794 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.131 3.465 -5.606 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.842 4.427 -4.289 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.454 3.362 -3.964 1.00 0.00 H new ATOM 263 N LYS A 18 -12.819 1.176 0.370 1.00 0.00 N ATOM 264 CA LYS A 18 -12.978 1.132 1.820 1.00 0.00 C ATOM 265 C LYS A 18 -11.614 0.966 2.517 1.00 0.00 C ATOM 266 O LYS A 18 -11.548 0.414 3.615 1.00 0.00 O ATOM 267 CB LYS A 18 -13.971 0.030 2.210 1.00 0.00 C ATOM 268 CG LYS A 18 -15.254 0.090 1.367 1.00 0.00 C ATOM 269 CD LYS A 18 -16.271 -0.940 1.866 1.00 0.00 C ATOM 270 CE LYS A 18 -17.501 -0.945 0.953 1.00 0.00 C ATOM 271 NZ LYS A 18 -18.501 -1.930 1.400 1.00 0.00 N ATOM 0 H LYS A 18 -12.725 0.258 -0.065 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.391 2.081 2.162 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.499 -0.945 2.084 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.225 0.127 3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.684 1.090 1.420 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.018 -0.101 0.320 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.818 -1.931 1.885 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -16.567 -0.705 2.888 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.949 0.049 0.939 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -17.196 -1.172 -0.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -19.321 -1.907 0.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -18.080 -2.881 1.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -18.809 -1.698 2.366 1.00 0.00 H new ATOM 314 N ALA A 22 -4.173 3.228 4.401 1.00 0.00 N ATOM 315 CA ALA A 22 -3.513 3.673 3.183 1.00 0.00 C ATOM 316 C ALA A 22 -3.160 2.445 2.345 1.00 0.00 C ATOM 317 O ALA A 22 -2.416 1.580 2.811 1.00 0.00 O ATOM 318 CB ALA A 22 -2.270 4.487 3.552 1.00 0.00 C ATOM 0 HA ALA A 22 -4.168 4.315 2.594 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.772 4.823 2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.565 5.353 4.145 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.587 3.866 4.132 1.00 0.00 H new ATOM 324 N ILE A 23 -3.693 2.366 1.122 1.00 0.00 N ATOM 325 CA ILE A 23 -3.465 1.281 0.178 1.00 0.00 C ATOM 326 C ILE A 23 -2.763 1.859 -1.051 1.00 0.00 C ATOM 327 O ILE A 23 -3.287 2.779 -1.679 1.00 0.00 O ATOM 328 CB ILE A 23 -4.788 0.560 -0.172 1.00 0.00 C ATOM 329 CG1 ILE A 23 -5.142 -0.471 0.913 1.00 0.00 C ATOM 330 CG2 ILE A 23 -4.721 -0.132 -1.541 1.00 0.00 C ATOM 331 CD1 ILE A 23 -6.337 -1.371 0.598 1.00 0.00 C ATOM 0 H ILE A 23 -4.317 3.084 0.754 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.824 0.519 0.621 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.566 1.322 -0.219 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.270 -1.102 1.089 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.344 0.060 1.843 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.671 -0.625 -1.746 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.523 0.610 -2.314 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.921 -0.873 -1.536 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.502 -2.060 1.426 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.226 -0.758 0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.136 -1.938 -0.311 1.00 0.00 H new ATOM 343 N LEU A 24 -1.600 1.312 -1.415 1.00 0.00 N ATOM 344 CA LEU A 24 -0.857 1.735 -2.598 1.00 0.00 C ATOM 345 C LEU A 24 -1.119 0.723 -3.708 1.00 0.00 C ATOM 346 O LEU A 24 -0.533 -0.356 -3.688 1.00 0.00 O ATOM 347 CB LEU A 24 0.637 1.835 -2.272 1.00 0.00 C ATOM 348 CG LEU A 24 1.468 2.368 -3.454 1.00 0.00 C ATOM 349 CD1 LEU A 24 1.412 3.892 -3.549 1.00 0.00 C ATOM 350 CD2 LEU A 24 2.918 1.889 -3.337 1.00 0.00 C ATOM 0 H LEU A 24 -1.148 0.561 -0.893 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.184 2.722 -2.926 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.774 2.490 -1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.009 0.851 -1.986 1.00 0.00 H new ATOM 0 HG LEU A 24 1.033 1.971 -4.371 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.011 4.226 -4.396 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.379 4.210 -3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.806 4.328 -2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.497 2.272 -4.178 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.348 2.255 -2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.943 0.799 -3.345 1.00 0.00 H new ATOM 362 N VAL A 25 -1.978 1.058 -4.670 1.00 0.00 N ATOM 363 CA VAL A 25 -2.305 0.169 -5.776 1.00 0.00 C ATOM 364 C VAL A 25 -1.301 0.340 -6.911 1.00 0.00 C ATOM 365 O VAL A 25 -1.283 1.384 -7.563 1.00 0.00 O ATOM 366 CB VAL A 25 -3.727 0.417 -6.303 1.00 0.00 C ATOM 367 CG1 VAL A 25 -4.056 -0.626 -7.382 1.00 0.00 C ATOM 368 CG2 VAL A 25 -4.774 0.330 -5.190 1.00 0.00 C ATOM 0 H VAL A 25 -2.465 1.954 -4.701 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.256 -0.852 -5.398 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.758 1.425 -6.716 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.064 -0.454 -7.759 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.343 -0.539 -8.201 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.995 -1.626 -6.952 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.764 0.512 -5.607 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.746 -0.663 -4.741 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.558 1.079 -4.428 1.00 0.00 H new ATOM 378 N ASP A 26 -0.510 -0.703 -7.173 1.00 0.00 N ATOM 379 CA ASP A 26 0.423 -0.770 -8.284 1.00 0.00 C ATOM 380 C ASP A 26 -0.256 -1.493 -9.450 1.00 0.00 C ATOM 381 O ASP A 26 -0.457 -2.707 -9.404 1.00 0.00 O ATOM 382 CB ASP A 26 1.704 -1.497 -7.865 1.00 0.00 C ATOM 383 CG ASP A 26 2.537 -1.865 -9.087 1.00 0.00 C ATOM 384 OD1 ASP A 26 3.022 -2.985 -9.206 1.00 0.00 O ATOM 385 OD2 ASP A 26 2.692 -0.927 -10.057 1.00 0.00 O ATOM 0 H ASP A 26 -0.506 -1.545 -6.597 1.00 0.00 H new ATOM 0 HA ASP A 26 0.702 0.237 -8.594 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.287 -0.862 -7.199 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.451 -2.398 -7.306 1.00 0.00 H new ATOM 391 N PHE A 27 -0.579 -0.756 -10.508 1.00 0.00 N ATOM 392 CA PHE A 27 -1.167 -1.319 -11.711 1.00 0.00 C ATOM 393 C PHE A 27 -0.021 -1.932 -12.522 1.00 0.00 C ATOM 394 O PHE A 27 0.931 -1.221 -12.850 1.00 0.00 O ATOM 395 CB PHE A 27 -1.910 -0.224 -12.490 1.00 0.00 C ATOM 396 CG PHE A 27 -3.192 0.264 -11.827 1.00 0.00 C ATOM 397 CD1 PHE A 27 -3.140 1.044 -10.656 1.00 0.00 C ATOM 398 CD2 PHE A 27 -4.446 -0.066 -12.379 1.00 0.00 C ATOM 399 CE1 PHE A 27 -4.327 1.452 -10.024 1.00 0.00 C ATOM 400 CE2 PHE A 27 -5.632 0.385 -11.770 1.00 0.00 C ATOM 401 CZ PHE A 27 -5.574 1.131 -10.583 1.00 0.00 C ATOM 0 H PHE A 27 -0.438 0.253 -10.552 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.903 -2.090 -11.482 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.240 0.625 -12.626 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.151 -0.602 -13.483 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.184 1.330 -10.242 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.497 -0.668 -13.274 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.280 2.015 -9.104 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.588 0.157 -12.217 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.484 1.457 -10.102 1.00 0.00 H new ATOM 411 N TRP A 28 -0.093 -3.234 -12.822 1.00 0.00 N ATOM 412 CA TRP A 28 0.926 -3.971 -13.562 1.00 0.00 C ATOM 413 C TRP A 28 0.289 -4.899 -14.600 1.00 0.00 C ATOM 414 O TRP A 28 -0.935 -4.971 -14.709 1.00 0.00 O ATOM 415 CB TRP A 28 1.834 -4.736 -12.582 1.00 0.00 C ATOM 416 CG TRP A 28 1.237 -5.937 -11.915 1.00 0.00 C ATOM 417 CD1 TRP A 28 0.374 -5.919 -10.878 1.00 0.00 C ATOM 418 CD2 TRP A 28 1.441 -7.346 -12.233 1.00 0.00 C ATOM 419 NE1 TRP A 28 -0.006 -7.209 -10.570 1.00 0.00 N ATOM 420 CE2 TRP A 28 0.601 -8.132 -11.392 1.00 0.00 C ATOM 421 CE3 TRP A 28 2.269 -8.045 -13.133 1.00 0.00 C ATOM 422 CZ2 TRP A 28 0.535 -9.532 -11.486 1.00 0.00 C ATOM 423 CZ3 TRP A 28 2.210 -9.445 -13.238 1.00 0.00 C ATOM 424 CH2 TRP A 28 1.318 -10.187 -12.451 1.00 0.00 C ATOM 0 H TRP A 28 -0.885 -3.815 -12.547 1.00 0.00 H new ATOM 0 HA TRP A 28 1.546 -3.264 -14.113 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.726 -5.054 -13.121 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.160 -4.042 -11.807 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.033 -5.031 -10.367 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.658 -7.450 -9.823 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.961 -7.495 -13.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -0.108 -10.096 -10.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.860 -9.956 -13.933 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.233 -11.255 -12.586 1.00 0.00 H new ATOM 435 N ALA A 29 1.130 -5.606 -15.359 1.00 0.00 N ATOM 436 CA ALA A 29 0.750 -6.556 -16.398 1.00 0.00 C ATOM 437 C ALA A 29 1.848 -7.614 -16.495 1.00 0.00 C ATOM 438 O ALA A 29 2.994 -7.304 -16.171 1.00 0.00 O ATOM 439 CB ALA A 29 0.631 -5.829 -17.737 1.00 0.00 C ATOM 0 H ALA A 29 2.142 -5.525 -15.258 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.207 -7.018 -16.157 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.347 -6.540 -18.513 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.128 -5.051 -17.662 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.590 -5.377 -17.992 1.00 0.00 H new ATOM 445 N GLU A 30 1.544 -8.833 -16.957 1.00 0.00 N ATOM 446 CA GLU A 30 2.563 -9.881 -17.053 1.00 0.00 C ATOM 447 C GLU A 30 3.780 -9.427 -17.867 1.00 0.00 C ATOM 448 O GLU A 30 4.919 -9.719 -17.512 1.00 0.00 O ATOM 449 CB GLU A 30 2.010 -11.200 -17.613 1.00 0.00 C ATOM 450 CG GLU A 30 0.845 -11.808 -16.818 1.00 0.00 C ATOM 451 CD GLU A 30 -0.532 -11.386 -17.323 1.00 0.00 C ATOM 452 OE1 GLU A 30 -0.726 -11.395 -18.558 1.00 0.00 O ATOM 453 OE2 GLU A 30 -1.370 -11.067 -16.454 1.00 0.00 O ATOM 0 H GLU A 30 0.613 -9.114 -17.266 1.00 0.00 H new ATOM 0 HA GLU A 30 2.886 -10.070 -16.029 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.681 -11.032 -18.638 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.821 -11.928 -17.654 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.919 -12.895 -16.857 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.942 -11.520 -15.771 1.00 0.00 H new ATOM 460 N TRP A 31 3.526 -8.709 -18.958 1.00 0.00 N ATOM 461 CA TRP A 31 4.544 -8.195 -19.864 1.00 0.00 C ATOM 462 C TRP A 31 5.228 -6.923 -19.338 1.00 0.00 C ATOM 463 O TRP A 31 6.141 -6.404 -19.982 1.00 0.00 O ATOM 464 CB TRP A 31 3.885 -7.954 -21.230 1.00 0.00 C ATOM 465 CG TRP A 31 2.609 -7.160 -21.210 1.00 0.00 C ATOM 466 CD1 TRP A 31 1.363 -7.687 -21.167 1.00 0.00 C ATOM 467 CD2 TRP A 31 2.429 -5.711 -21.210 1.00 0.00 C ATOM 468 NE1 TRP A 31 0.431 -6.672 -21.125 1.00 0.00 N ATOM 469 CE2 TRP A 31 1.030 -5.431 -21.168 1.00 0.00 C ATOM 470 CE3 TRP A 31 3.302 -4.601 -21.234 1.00 0.00 C ATOM 471 CZ2 TRP A 31 0.525 -4.123 -21.159 1.00 0.00 C ATOM 472 CZ3 TRP A 31 2.805 -3.284 -21.225 1.00 0.00 C ATOM 473 CH2 TRP A 31 1.421 -3.043 -21.197 1.00 0.00 C ATOM 0 H TRP A 31 2.578 -8.463 -19.242 1.00 0.00 H new ATOM 0 HA TRP A 31 5.342 -8.933 -19.951 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.601 -7.440 -21.872 1.00 0.00 H new ATOM 0 HB3 TRP A 31 3.682 -8.921 -21.690 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.134 -8.742 -21.166 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -0.577 -6.821 -21.069 1.00 0.00 H new ATOM 0 HE3 TRP A 31 4.369 -4.765 -21.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.540 -3.949 -21.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.493 -2.452 -21.240 1.00 0.00 H new ATOM 0 HH2 TRP A 31 1.048 -2.030 -21.205 1.00 0.00 H new ATOM 484 N CYS A 32 4.818 -6.395 -18.181 1.00 0.00 N ATOM 485 CA CYS A 32 5.391 -5.161 -17.661 1.00 0.00 C ATOM 486 C CYS A 32 6.742 -5.409 -16.987 1.00 0.00 C ATOM 487 O CYS A 32 6.846 -5.448 -15.761 1.00 0.00 O ATOM 488 CB CYS A 32 4.422 -4.495 -16.692 1.00 0.00 C ATOM 489 SG CYS A 32 5.043 -2.919 -16.071 1.00 0.00 S ATOM 0 H CYS A 32 4.093 -6.805 -17.592 1.00 0.00 H new ATOM 0 HA CYS A 32 5.562 -4.491 -18.503 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.466 -4.334 -17.191 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.235 -5.165 -15.853 1.00 0.00 H new ATOM 494 N GLY A 33 7.791 -5.557 -17.799 1.00 0.00 N ATOM 495 CA GLY A 33 9.163 -5.739 -17.329 1.00 0.00 C ATOM 496 C GLY A 33 9.502 -4.810 -16.152 1.00 0.00 C ATOM 497 O GLY A 33 9.863 -5.292 -15.080 1.00 0.00 O ATOM 0 H GLY A 33 7.708 -5.554 -18.816 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.306 -6.776 -17.024 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.855 -5.550 -18.150 1.00 0.00 H new ATOM 501 N PRO A 34 9.375 -3.482 -16.311 1.00 0.00 N ATOM 502 CA PRO A 34 9.645 -2.528 -15.244 1.00 0.00 C ATOM 503 C PRO A 34 8.855 -2.817 -13.958 1.00 0.00 C ATOM 504 O PRO A 34 9.370 -2.616 -12.861 1.00 0.00 O ATOM 505 CB PRO A 34 9.318 -1.149 -15.822 1.00 0.00 C ATOM 506 CG PRO A 34 9.467 -1.350 -17.330 1.00 0.00 C ATOM 507 CD PRO A 34 8.983 -2.785 -17.525 1.00 0.00 C ATOM 0 HA PRO A 34 10.687 -2.594 -14.932 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.309 -0.832 -15.557 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.001 -0.385 -15.449 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.864 -0.639 -17.895 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.499 -1.223 -17.656 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.903 -2.821 -17.670 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.438 -3.239 -18.405 1.00 0.00 H new ATOM 515 N CYS A 35 7.619 -3.323 -14.073 1.00 0.00 N ATOM 516 CA CYS A 35 6.814 -3.666 -12.904 1.00 0.00 C ATOM 517 C CYS A 35 7.524 -4.788 -12.152 1.00 0.00 C ATOM 518 O CYS A 35 7.694 -4.722 -10.935 1.00 0.00 O ATOM 519 CB CYS A 35 5.381 -4.093 -13.246 1.00 0.00 C ATOM 520 SG CYS A 35 4.319 -2.918 -14.128 1.00 0.00 S ATOM 0 H CYS A 35 7.160 -3.502 -14.966 1.00 0.00 H new ATOM 0 HA CYS A 35 6.719 -2.769 -12.292 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.439 -5.002 -13.845 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.882 -4.357 -12.314 1.00 0.00 H new ATOM 525 N LYS A 36 7.975 -5.807 -12.892 1.00 0.00 N ATOM 526 CA LYS A 36 8.730 -6.906 -12.309 1.00 0.00 C ATOM 527 C LYS A 36 9.990 -6.347 -11.645 1.00 0.00 C ATOM 528 O LYS A 36 10.290 -6.696 -10.507 1.00 0.00 O ATOM 529 CB LYS A 36 9.094 -7.966 -13.361 1.00 0.00 C ATOM 530 CG LYS A 36 7.903 -8.514 -14.158 1.00 0.00 C ATOM 531 CD LYS A 36 6.927 -9.297 -13.271 1.00 0.00 C ATOM 532 CE LYS A 36 5.753 -9.859 -14.078 1.00 0.00 C ATOM 533 NZ LYS A 36 6.190 -10.793 -15.131 1.00 0.00 N ATOM 0 H LYS A 36 7.826 -5.887 -13.898 1.00 0.00 H new ATOM 0 HA LYS A 36 8.109 -7.400 -11.562 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.812 -7.535 -14.058 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.593 -8.797 -12.862 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.376 -7.688 -14.635 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.268 -9.162 -14.955 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.456 -10.114 -12.781 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.548 -8.645 -12.484 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.065 -10.371 -13.405 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.201 -9.036 -14.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.983 -10.385 -16.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.213 -10.959 -15.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.683 -11.695 -15.027 1.00 0.00 H new ATOM 547 N MET A 37 10.714 -5.466 -12.344 1.00 0.00 N ATOM 548 CA MET A 37 11.925 -4.852 -11.815 1.00 0.00 C ATOM 549 C MET A 37 11.665 -4.158 -10.472 1.00 0.00 C ATOM 550 O MET A 37 12.474 -4.302 -9.558 1.00 0.00 O ATOM 551 CB MET A 37 12.548 -3.890 -12.834 1.00 0.00 C ATOM 552 CG MET A 37 13.073 -4.628 -14.074 1.00 0.00 C ATOM 553 SD MET A 37 13.485 -3.580 -15.493 1.00 0.00 S ATOM 554 CE MET A 37 14.749 -2.511 -14.771 1.00 0.00 C ATOM 0 H MET A 37 10.474 -5.163 -13.288 1.00 0.00 H new ATOM 0 HA MET A 37 12.645 -5.649 -11.631 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.805 -3.153 -13.138 1.00 0.00 H new ATOM 0 HB3 MET A 37 13.366 -3.343 -12.364 1.00 0.00 H new ATOM 0 HG2 MET A 37 13.962 -5.191 -13.790 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.323 -5.354 -14.387 1.00 0.00 H new ATOM 0 HE1 MET A 37 15.129 -1.831 -15.533 1.00 0.00 H new ATOM 0 HE2 MET A 37 14.315 -1.935 -13.954 1.00 0.00 H new ATOM 0 HE3 MET A 37 15.567 -3.122 -14.389 1.00 0.00 H new ATOM 564 N ILE A 38 10.564 -3.408 -10.333 1.00 0.00 N ATOM 565 CA ILE A 38 10.265 -2.745 -9.062 1.00 0.00 C ATOM 566 C ILE A 38 9.628 -3.687 -8.030 1.00 0.00 C ATOM 567 O ILE A 38 9.667 -3.374 -6.843 1.00 0.00 O ATOM 568 CB ILE A 38 9.458 -1.443 -9.237 1.00 0.00 C ATOM 569 CG1 ILE A 38 8.028 -1.695 -9.734 1.00 0.00 C ATOM 570 CG2 ILE A 38 10.212 -0.465 -10.150 1.00 0.00 C ATOM 571 CD1 ILE A 38 7.155 -0.436 -9.712 1.00 0.00 C ATOM 0 H ILE A 38 9.878 -3.248 -11.071 1.00 0.00 H new ATOM 0 HA ILE A 38 11.233 -2.453 -8.654 1.00 0.00 H new ATOM 0 HB ILE A 38 9.357 -0.988 -8.252 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.066 -2.086 -10.751 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.564 -2.463 -9.115 1.00 0.00 H new ATOM 0 HG21 ILE A 38 9.629 0.449 -10.264 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.179 -0.226 -9.708 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.363 -0.923 -11.128 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.156 -0.679 -10.075 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.088 -0.057 -8.692 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.598 0.325 -10.354 1.00 0.00 H new ATOM 583 N ALA A 39 9.027 -4.815 -8.434 1.00 0.00 N ATOM 584 CA ALA A 39 8.366 -5.739 -7.506 1.00 0.00 C ATOM 585 C ALA A 39 9.145 -5.988 -6.198 1.00 0.00 C ATOM 586 O ALA A 39 8.563 -5.785 -5.134 1.00 0.00 O ATOM 587 CB ALA A 39 7.890 -7.018 -8.206 1.00 0.00 C ATOM 0 H ALA A 39 8.986 -5.110 -9.409 1.00 0.00 H new ATOM 0 HA ALA A 39 7.464 -5.228 -7.169 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.407 -7.672 -7.480 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.179 -6.760 -8.991 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.745 -7.532 -8.645 1.00 0.00 H new ATOM 593 N PRO A 40 10.435 -6.373 -6.216 1.00 0.00 N ATOM 594 CA PRO A 40 11.223 -6.531 -4.998 1.00 0.00 C ATOM 595 C PRO A 40 11.179 -5.279 -4.115 1.00 0.00 C ATOM 596 O PRO A 40 11.045 -5.379 -2.897 1.00 0.00 O ATOM 597 CB PRO A 40 12.657 -6.822 -5.459 1.00 0.00 C ATOM 598 CG PRO A 40 12.460 -7.440 -6.838 1.00 0.00 C ATOM 599 CD PRO A 40 11.260 -6.662 -7.376 1.00 0.00 C ATOM 0 HA PRO A 40 10.822 -7.338 -4.385 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.257 -5.913 -5.507 1.00 0.00 H new ATOM 0 HB3 PRO A 40 13.167 -7.506 -4.780 1.00 0.00 H new ATOM 0 HG2 PRO A 40 13.341 -7.316 -7.468 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.258 -8.509 -6.779 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.577 -5.744 -7.871 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.710 -7.248 -8.113 1.00 0.00 H new ATOM 607 N ILE A 41 11.257 -4.091 -4.724 1.00 0.00 N ATOM 608 CA ILE A 41 11.184 -2.832 -3.999 1.00 0.00 C ATOM 609 C ILE A 41 9.806 -2.750 -3.343 1.00 0.00 C ATOM 610 O ILE A 41 9.708 -2.496 -2.146 1.00 0.00 O ATOM 611 CB ILE A 41 11.466 -1.621 -4.914 1.00 0.00 C ATOM 612 CG1 ILE A 41 12.771 -1.809 -5.711 1.00 0.00 C ATOM 613 CG2 ILE A 41 11.543 -0.351 -4.057 1.00 0.00 C ATOM 614 CD1 ILE A 41 13.075 -0.635 -6.646 1.00 0.00 C ATOM 0 H ILE A 41 11.372 -3.982 -5.732 1.00 0.00 H new ATOM 0 HA ILE A 41 11.958 -2.800 -3.233 1.00 0.00 H new ATOM 0 HB ILE A 41 10.653 -1.532 -5.635 1.00 0.00 H new ATOM 0 HG12 ILE A 41 13.600 -1.936 -5.015 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.703 -2.725 -6.297 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.742 0.508 -4.697 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.596 -0.205 -3.537 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.346 -0.453 -3.327 1.00 0.00 H new ATOM 0 HD11 ILE A 41 14.006 -0.826 -7.179 1.00 0.00 H new ATOM 0 HD12 ILE A 41 12.262 -0.522 -7.364 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.173 0.280 -6.061 1.00 0.00 H new ATOM 626 N LEU A 42 8.740 -2.997 -4.112 1.00 0.00 N ATOM 627 CA LEU A 42 7.384 -2.992 -3.574 1.00 0.00 C ATOM 628 C LEU A 42 7.283 -3.960 -2.386 1.00 0.00 C ATOM 629 O LEU A 42 6.680 -3.625 -1.371 1.00 0.00 O ATOM 630 CB LEU A 42 6.344 -3.320 -4.658 1.00 0.00 C ATOM 631 CG LEU A 42 6.355 -2.378 -5.873 1.00 0.00 C ATOM 632 CD1 LEU A 42 5.274 -2.815 -6.866 1.00 0.00 C ATOM 633 CD2 LEU A 42 6.105 -0.919 -5.473 1.00 0.00 C ATOM 0 H LEU A 42 8.795 -3.203 -5.110 1.00 0.00 H new ATOM 0 HA LEU A 42 7.162 -1.986 -3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.512 -4.339 -5.006 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.352 -3.297 -4.208 1.00 0.00 H new ATOM 0 HG LEU A 42 7.344 -2.438 -6.328 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.281 -2.148 -7.728 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.473 -3.835 -7.195 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.298 -2.774 -6.383 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.122 -0.290 -6.363 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.132 -0.836 -4.988 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.883 -0.592 -4.783 1.00 0.00 H new ATOM 645 N ASP A 43 7.886 -5.148 -2.491 1.00 0.00 N ATOM 646 CA ASP A 43 7.891 -6.134 -1.413 1.00 0.00 C ATOM 647 C ASP A 43 8.615 -5.571 -0.185 1.00 0.00 C ATOM 648 O ASP A 43 8.130 -5.690 0.941 1.00 0.00 O ATOM 649 CB ASP A 43 8.534 -7.450 -1.870 1.00 0.00 C ATOM 650 CG ASP A 43 7.810 -8.107 -3.042 1.00 0.00 C ATOM 651 OD1 ASP A 43 6.562 -8.147 -2.998 1.00 0.00 O ATOM 652 OD2 ASP A 43 8.520 -8.585 -3.954 1.00 0.00 O ATOM 0 H ASP A 43 8.384 -5.451 -3.328 1.00 0.00 H new ATOM 0 HA ASP A 43 6.858 -6.349 -1.140 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.569 -7.260 -2.153 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.556 -8.145 -1.031 1.00 0.00 H new ATOM 657 N GLU A 44 9.780 -4.953 -0.385 1.00 0.00 N ATOM 658 CA GLU A 44 10.538 -4.348 0.704 1.00 0.00 C ATOM 659 C GLU A 44 9.693 -3.278 1.389 1.00 0.00 C ATOM 660 O GLU A 44 9.591 -3.264 2.613 1.00 0.00 O ATOM 661 CB GLU A 44 11.860 -3.783 0.179 1.00 0.00 C ATOM 662 CG GLU A 44 12.806 -4.935 -0.178 1.00 0.00 C ATOM 663 CD GLU A 44 13.564 -5.460 1.038 1.00 0.00 C ATOM 664 OE1 GLU A 44 14.374 -4.674 1.576 1.00 0.00 O ATOM 665 OE2 GLU A 44 13.329 -6.632 1.399 1.00 0.00 O ATOM 0 H GLU A 44 10.220 -4.860 -1.301 1.00 0.00 H new ATOM 0 HA GLU A 44 10.781 -5.108 1.447 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.679 -3.163 -0.699 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.318 -3.143 0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.233 -5.748 -0.625 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.519 -4.597 -0.930 1.00 0.00 H new ATOM 672 N ILE A 45 9.055 -2.405 0.606 1.00 0.00 N ATOM 673 CA ILE A 45 8.157 -1.390 1.141 1.00 0.00 C ATOM 674 C ILE A 45 7.048 -2.080 1.939 1.00 0.00 C ATOM 675 O ILE A 45 6.771 -1.683 3.068 1.00 0.00 O ATOM 676 CB ILE A 45 7.596 -0.516 0.008 1.00 0.00 C ATOM 677 CG1 ILE A 45 8.679 0.323 -0.693 1.00 0.00 C ATOM 678 CG2 ILE A 45 6.451 0.387 0.486 1.00 0.00 C ATOM 679 CD1 ILE A 45 9.370 1.380 0.172 1.00 0.00 C ATOM 0 H ILE A 45 9.148 -2.385 -0.410 1.00 0.00 H new ATOM 0 HA ILE A 45 8.701 -0.725 1.811 1.00 0.00 H new ATOM 0 HB ILE A 45 7.197 -1.215 -0.726 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.440 -0.353 -1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.227 0.822 -1.550 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.087 0.986 -0.349 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.639 -0.229 0.872 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.813 1.047 1.275 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.113 1.909 -0.425 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.629 2.089 0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.861 0.895 1.016 1.00 0.00 H new ATOM 691 N ALA A 46 6.421 -3.112 1.364 1.00 0.00 N ATOM 692 CA ALA A 46 5.359 -3.865 2.017 1.00 0.00 C ATOM 693 C ALA A 46 5.814 -4.340 3.396 1.00 0.00 C ATOM 694 O ALA A 46 5.064 -4.228 4.362 1.00 0.00 O ATOM 695 CB ALA A 46 4.897 -5.029 1.136 1.00 0.00 C ATOM 0 H ALA A 46 6.642 -3.446 0.426 1.00 0.00 H new ATOM 0 HA ALA A 46 4.500 -3.209 2.160 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.104 -5.577 1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.522 -4.642 0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.737 -5.698 0.947 1.00 0.00 H new ATOM 701 N ASP A 47 7.049 -4.844 3.496 1.00 0.00 N ATOM 702 CA ASP A 47 7.579 -5.253 4.787 1.00 0.00 C ATOM 703 C ASP A 47 7.817 -4.030 5.680 1.00 0.00 C ATOM 704 O ASP A 47 7.190 -3.895 6.725 1.00 0.00 O ATOM 705 CB ASP A 47 8.855 -6.076 4.600 1.00 0.00 C ATOM 706 CG ASP A 47 9.484 -6.429 5.940 1.00 0.00 C ATOM 707 OD1 ASP A 47 8.976 -7.384 6.567 1.00 0.00 O ATOM 708 OD2 ASP A 47 10.453 -5.735 6.317 1.00 0.00 O ATOM 0 H ASP A 47 7.685 -4.974 2.709 1.00 0.00 H new ATOM 0 HA ASP A 47 6.847 -5.887 5.288 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.625 -6.989 4.052 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.568 -5.514 3.997 1.00 0.00 H new ATOM 713 N GLU A 48 8.723 -3.139 5.274 1.00 0.00 N ATOM 714 CA GLU A 48 9.117 -1.950 6.019 1.00 0.00 C ATOM 715 C GLU A 48 7.934 -1.167 6.595 1.00 0.00 C ATOM 716 O GLU A 48 7.958 -0.762 7.759 1.00 0.00 O ATOM 717 CB GLU A 48 9.948 -1.051 5.096 1.00 0.00 C ATOM 718 CG GLU A 48 11.345 -1.620 4.810 1.00 0.00 C ATOM 719 CD GLU A 48 12.050 -0.845 3.700 1.00 0.00 C ATOM 720 OE1 GLU A 48 11.809 0.380 3.604 1.00 0.00 O ATOM 721 OE2 GLU A 48 12.822 -1.492 2.960 1.00 0.00 O ATOM 0 H GLU A 48 9.217 -3.232 4.387 1.00 0.00 H new ATOM 0 HA GLU A 48 9.701 -2.279 6.878 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.416 -0.915 4.154 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.048 -0.065 5.551 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.946 -1.584 5.718 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.260 -2.669 4.525 1.00 0.00 H new ATOM 728 N TYR A 49 6.916 -0.930 5.766 1.00 0.00 N ATOM 729 CA TYR A 49 5.738 -0.154 6.124 1.00 0.00 C ATOM 730 C TYR A 49 4.579 -1.041 6.601 1.00 0.00 C ATOM 731 O TYR A 49 3.434 -0.589 6.586 1.00 0.00 O ATOM 732 CB TYR A 49 5.317 0.752 4.953 1.00 0.00 C ATOM 733 CG TYR A 49 6.286 1.863 4.578 1.00 0.00 C ATOM 734 CD1 TYR A 49 7.509 1.555 3.960 1.00 0.00 C ATOM 735 CD2 TYR A 49 5.924 3.214 4.752 1.00 0.00 C ATOM 736 CE1 TYR A 49 8.395 2.576 3.587 1.00 0.00 C ATOM 737 CE2 TYR A 49 6.784 4.241 4.321 1.00 0.00 C ATOM 738 CZ TYR A 49 8.033 3.922 3.760 1.00 0.00 C ATOM 739 OH TYR A 49 8.899 4.900 3.371 1.00 0.00 O ATOM 0 H TYR A 49 6.891 -1.281 4.809 1.00 0.00 H new ATOM 0 HA TYR A 49 6.004 0.480 6.970 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.159 0.125 4.075 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.356 1.204 5.199 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.769 0.524 3.771 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.982 3.462 5.218 1.00 0.00 H new ATOM 0 HE1 TYR A 49 9.358 2.327 3.166 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.485 5.274 4.421 1.00 0.00 H new ATOM 0 HH TYR A 49 8.421 5.565 2.833 1.00 0.00 H new ATOM 749 N GLN A 50 4.838 -2.273 7.058 1.00 0.00 N ATOM 750 CA GLN A 50 3.796 -3.132 7.604 1.00 0.00 C ATOM 751 C GLN A 50 2.954 -2.362 8.627 1.00 0.00 C ATOM 752 O GLN A 50 3.505 -1.676 9.488 1.00 0.00 O ATOM 753 CB GLN A 50 4.393 -4.423 8.193 1.00 0.00 C ATOM 754 CG GLN A 50 5.108 -4.312 9.554 1.00 0.00 C ATOM 755 CD GLN A 50 6.395 -3.487 9.537 1.00 0.00 C ATOM 756 OE1 GLN A 50 7.491 -4.034 9.615 1.00 0.00 O ATOM 757 NE2 GLN A 50 6.273 -2.165 9.497 1.00 0.00 N ATOM 0 H GLN A 50 5.768 -2.693 7.057 1.00 0.00 H new ATOM 0 HA GLN A 50 3.132 -3.436 6.795 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.589 -5.152 8.292 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.102 -4.827 7.471 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.420 -3.871 10.275 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.341 -5.316 9.909 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.348 -1.740 9.432 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.104 -1.575 9.531 1.00 0.00 H new ATOM 766 N GLY A 51 1.625 -2.422 8.509 1.00 0.00 N ATOM 767 CA GLY A 51 0.718 -1.717 9.408 1.00 0.00 C ATOM 768 C GLY A 51 0.596 -0.215 9.127 1.00 0.00 C ATOM 769 O GLY A 51 -0.367 0.401 9.572 1.00 0.00 O ATOM 0 H GLY A 51 1.151 -2.962 7.786 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.271 -2.170 9.337 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.060 -1.857 10.434 1.00 0.00 H new ATOM 773 N LYS A 52 1.542 0.383 8.393 1.00 0.00 N ATOM 774 CA LYS A 52 1.546 1.804 8.065 1.00 0.00 C ATOM 775 C LYS A 52 1.001 2.010 6.651 1.00 0.00 C ATOM 776 O LYS A 52 0.272 2.967 6.402 1.00 0.00 O ATOM 777 CB LYS A 52 2.976 2.355 8.163 1.00 0.00 C ATOM 778 CG LYS A 52 3.567 2.203 9.572 1.00 0.00 C ATOM 779 CD LYS A 52 5.066 2.538 9.608 1.00 0.00 C ATOM 780 CE LYS A 52 5.369 3.964 9.128 1.00 0.00 C ATOM 781 NZ LYS A 52 6.796 4.288 9.293 1.00 0.00 N ATOM 0 H LYS A 52 2.339 -0.122 8.005 1.00 0.00 H new ATOM 0 HA LYS A 52 0.910 2.338 8.771 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.613 1.835 7.447 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.976 3.409 7.884 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.033 2.857 10.261 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.416 1.181 9.920 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.436 2.416 10.626 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.608 1.827 8.984 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.089 4.065 8.079 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.764 4.676 9.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.973 5.258 8.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.055 4.214 10.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.370 3.622 8.737 1.00 0.00 H new ATOM 795 N LEU A 53 1.362 1.119 5.725 1.00 0.00 N ATOM 796 CA LEU A 53 0.948 1.173 4.334 1.00 0.00 C ATOM 797 C LEU A 53 0.659 -0.244 3.865 1.00 0.00 C ATOM 798 O LEU A 53 1.439 -1.155 4.136 1.00 0.00 O ATOM 799 CB LEU A 53 2.101 1.744 3.503 1.00 0.00 C ATOM 800 CG LEU A 53 1.769 1.935 2.016 1.00 0.00 C ATOM 801 CD1 LEU A 53 0.926 3.193 1.806 1.00 0.00 C ATOM 802 CD2 LEU A 53 3.084 2.058 1.247 1.00 0.00 C ATOM 0 H LEU A 53 1.965 0.323 5.934 1.00 0.00 H new ATOM 0 HA LEU A 53 0.061 1.797 4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.397 2.705 3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.961 1.080 3.590 1.00 0.00 H new ATOM 0 HG LEU A 53 1.194 1.082 1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.703 3.308 0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.005 3.104 2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.479 4.064 2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.874 2.195 0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.644 2.916 1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.673 1.152 1.386 1.00 0.00 H new ATOM 814 N THR A 54 -0.437 -0.425 3.131 1.00 0.00 N ATOM 815 CA THR A 54 -0.791 -1.701 2.547 1.00 0.00 C ATOM 816 C THR A 54 -0.419 -1.627 1.066 1.00 0.00 C ATOM 817 O THR A 54 -1.076 -0.940 0.287 1.00 0.00 O ATOM 818 CB THR A 54 -2.280 -1.940 2.809 1.00 0.00 C ATOM 819 OG1 THR A 54 -2.476 -2.079 4.200 1.00 0.00 O ATOM 820 CG2 THR A 54 -2.818 -3.189 2.109 1.00 0.00 C ATOM 0 H THR A 54 -1.104 0.320 2.928 1.00 0.00 H new ATOM 0 HA THR A 54 -0.260 -2.549 2.979 1.00 0.00 H new ATOM 0 HB THR A 54 -2.823 -1.085 2.407 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.427 -2.231 4.383 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.878 -3.304 2.334 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.684 -3.089 1.032 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.276 -4.066 2.462 1.00 0.00 H new ATOM 828 N VAL A 55 0.642 -2.321 0.655 1.00 0.00 N ATOM 829 CA VAL A 55 1.035 -2.319 -0.742 1.00 0.00 C ATOM 830 C VAL A 55 0.097 -3.292 -1.452 1.00 0.00 C ATOM 831 O VAL A 55 -0.190 -4.375 -0.942 1.00 0.00 O ATOM 832 CB VAL A 55 2.512 -2.708 -0.886 1.00 0.00 C ATOM 833 CG1 VAL A 55 2.940 -2.742 -2.358 1.00 0.00 C ATOM 834 CG2 VAL A 55 3.413 -1.697 -0.168 1.00 0.00 C ATOM 0 H VAL A 55 1.235 -2.883 1.266 1.00 0.00 H new ATOM 0 HA VAL A 55 0.949 -1.329 -1.190 1.00 0.00 H new ATOM 0 HB VAL A 55 2.619 -3.699 -0.444 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.992 -3.021 -2.425 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.336 -3.473 -2.896 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.797 -1.757 -2.801 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.456 -1.993 -0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.267 -0.707 -0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.158 -1.671 0.892 1.00 0.00 H new ATOM 844 N ALA A 56 -0.409 -2.902 -2.617 1.00 0.00 N ATOM 845 CA ALA A 56 -1.330 -3.699 -3.394 1.00 0.00 C ATOM 846 C ALA A 56 -0.894 -3.695 -4.850 1.00 0.00 C ATOM 847 O ALA A 56 -0.235 -2.767 -5.312 1.00 0.00 O ATOM 848 CB ALA A 56 -2.749 -3.150 -3.222 1.00 0.00 C ATOM 0 H ALA A 56 -0.182 -2.006 -3.049 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.327 -4.732 -3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.445 -3.750 -3.808 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.030 -3.192 -2.170 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.783 -2.116 -3.566 1.00 0.00 H new ATOM 854 N LYS A 57 -1.270 -4.741 -5.574 1.00 0.00 N ATOM 855 CA LYS A 57 -1.009 -4.915 -6.985 1.00 0.00 C ATOM 856 C LYS A 57 -2.319 -5.242 -7.687 1.00 0.00 C ATOM 857 O LYS A 57 -3.163 -5.940 -7.126 1.00 0.00 O ATOM 858 CB LYS A 57 0.005 -6.039 -7.197 1.00 0.00 C ATOM 859 CG LYS A 57 1.455 -5.558 -7.248 1.00 0.00 C ATOM 860 CD LYS A 57 2.340 -6.795 -7.463 1.00 0.00 C ATOM 861 CE LYS A 57 3.814 -6.475 -7.703 1.00 0.00 C ATOM 862 NZ LYS A 57 4.023 -5.624 -8.890 1.00 0.00 N ATOM 0 H LYS A 57 -1.787 -5.522 -5.170 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.591 -3.998 -7.401 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.099 -6.766 -6.392 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.229 -6.557 -8.127 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.594 -4.841 -8.057 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.724 -5.050 -6.322 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.258 -7.443 -6.590 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.958 -7.358 -8.315 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.221 -5.974 -6.825 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.369 -7.405 -7.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.042 -5.534 -9.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.556 -6.056 -9.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.618 -4.682 -8.717 1.00 0.00 H new ATOM 876 N LEU A 58 -2.469 -4.750 -8.916 1.00 0.00 N ATOM 877 CA LEU A 58 -3.628 -5.012 -9.753 1.00 0.00 C ATOM 878 C LEU A 58 -3.103 -5.357 -11.141 1.00 0.00 C ATOM 879 O LEU A 58 -2.262 -4.632 -11.671 1.00 0.00 O ATOM 880 CB LEU A 58 -4.561 -3.803 -9.703 1.00 0.00 C ATOM 881 CG LEU A 58 -5.872 -4.091 -10.445 1.00 0.00 C ATOM 882 CD1 LEU A 58 -7.021 -3.434 -9.688 1.00 0.00 C ATOM 883 CD2 LEU A 58 -5.826 -3.535 -11.873 1.00 0.00 C ATOM 0 H LEU A 58 -1.775 -4.149 -9.361 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.229 -5.855 -9.411 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.775 -3.546 -8.665 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.068 -2.940 -10.150 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.016 -5.170 -10.499 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.959 -3.632 -10.207 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.072 -3.841 -8.678 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.855 -2.358 -9.637 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.767 -3.752 -12.378 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.673 -2.456 -11.839 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.005 -4.001 -12.419 1.00 0.00 H new ATOM 895 N ASN A 59 -3.562 -6.470 -11.717 1.00 0.00 N ATOM 896 CA ASN A 59 -3.068 -6.948 -12.998 1.00 0.00 C ATOM 897 C ASN A 59 -4.017 -6.495 -14.097 1.00 0.00 C ATOM 898 O ASN A 59 -5.067 -7.098 -14.285 1.00 0.00 O ATOM 899 CB ASN A 59 -2.954 -8.470 -12.952 1.00 0.00 C ATOM 900 CG ASN A 59 -2.464 -8.992 -14.292 1.00 0.00 C ATOM 901 OD1 ASN A 59 -3.246 -9.168 -15.218 1.00 0.00 O ATOM 902 ND2 ASN A 59 -1.165 -9.226 -14.437 1.00 0.00 N ATOM 0 H ASN A 59 -4.285 -7.060 -11.305 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.081 -6.537 -13.208 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.265 -8.768 -12.162 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.923 -8.909 -12.713 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.803 -9.558 -15.331 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.529 -9.074 -13.654 1.00 0.00 H new ATOM 909 N ILE A 60 -3.677 -5.438 -14.833 1.00 0.00 N ATOM 910 CA ILE A 60 -4.562 -4.887 -15.855 1.00 0.00 C ATOM 911 C ILE A 60 -4.974 -5.901 -16.928 1.00 0.00 C ATOM 912 O ILE A 60 -6.076 -5.792 -17.458 1.00 0.00 O ATOM 913 CB ILE A 60 -3.996 -3.583 -16.442 1.00 0.00 C ATOM 914 CG1 ILE A 60 -2.707 -3.797 -17.250 1.00 0.00 C ATOM 915 CG2 ILE A 60 -3.759 -2.569 -15.313 1.00 0.00 C ATOM 916 CD1 ILE A 60 -2.970 -3.913 -18.753 1.00 0.00 C ATOM 0 H ILE A 60 -2.789 -4.944 -14.739 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.495 -4.634 -15.350 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.737 -3.196 -17.142 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.025 -2.967 -17.067 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.209 -4.701 -16.901 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.358 -1.646 -15.731 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.702 -2.359 -14.809 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.048 -2.981 -14.597 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.026 -4.063 -19.277 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.629 -4.760 -18.943 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.442 -2.998 -19.111 1.00 0.00 H new ATOM 928 N ASP A 61 -4.134 -6.895 -17.247 1.00 0.00 N ATOM 929 CA ASP A 61 -4.494 -7.897 -18.253 1.00 0.00 C ATOM 930 C ASP A 61 -5.735 -8.670 -17.800 1.00 0.00 C ATOM 931 O ASP A 61 -6.658 -8.899 -18.576 1.00 0.00 O ATOM 932 CB ASP A 61 -3.349 -8.889 -18.524 1.00 0.00 C ATOM 933 CG ASP A 61 -2.009 -8.235 -18.836 1.00 0.00 C ATOM 934 OD1 ASP A 61 -1.939 -7.509 -19.852 1.00 0.00 O ATOM 935 OD2 ASP A 61 -1.066 -8.484 -18.051 1.00 0.00 O ATOM 0 H ASP A 61 -3.213 -7.024 -16.828 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.700 -7.362 -19.180 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.230 -9.534 -17.654 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.630 -9.530 -19.360 1.00 0.00 H new ATOM 940 N GLN A 62 -5.730 -9.091 -16.533 1.00 0.00 N ATOM 941 CA GLN A 62 -6.784 -9.872 -15.900 1.00 0.00 C ATOM 942 C GLN A 62 -7.863 -8.975 -15.281 1.00 0.00 C ATOM 943 O GLN A 62 -8.962 -9.438 -14.981 1.00 0.00 O ATOM 944 CB GLN A 62 -6.140 -10.750 -14.819 1.00 0.00 C ATOM 945 CG GLN A 62 -5.162 -11.770 -15.422 1.00 0.00 C ATOM 946 CD GLN A 62 -4.279 -12.391 -14.346 1.00 0.00 C ATOM 947 OE1 GLN A 62 -4.768 -13.077 -13.455 1.00 0.00 O ATOM 948 NE2 GLN A 62 -2.969 -12.161 -14.406 1.00 0.00 N ATOM 0 H GLN A 62 -4.958 -8.886 -15.898 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.276 -10.486 -16.654 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.612 -10.119 -14.104 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.918 -11.276 -14.266 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.720 -12.553 -15.935 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.538 -11.281 -16.170 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.586 -11.587 -15.157 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.349 -12.559 -13.701 1.00 0.00 H new ATOM 957 N ASN A 63 -7.544 -7.702 -15.036 1.00 0.00 N ATOM 958 CA ASN A 63 -8.409 -6.724 -14.386 1.00 0.00 C ATOM 959 C ASN A 63 -8.521 -5.462 -15.257 1.00 0.00 C ATOM 960 O ASN A 63 -8.231 -4.362 -14.780 1.00 0.00 O ATOM 961 CB ASN A 63 -7.809 -6.373 -13.007 1.00 0.00 C ATOM 962 CG ASN A 63 -7.290 -7.553 -12.182 1.00 0.00 C ATOM 963 OD1 ASN A 63 -6.250 -7.451 -11.534 1.00 0.00 O ATOM 964 ND2 ASN A 63 -7.983 -8.687 -12.195 1.00 0.00 N ATOM 0 H ASN A 63 -6.638 -7.312 -15.297 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.408 -7.139 -14.255 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.988 -5.672 -13.158 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.569 -5.854 -12.424 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.654 -9.492 -11.661 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -8.844 -8.753 -12.739 1.00 0.00 H new ATOM 971 N PRO A 64 -8.935 -5.581 -16.531 1.00 0.00 N ATOM 972 CA PRO A 64 -8.992 -4.453 -17.448 1.00 0.00 C ATOM 973 C PRO A 64 -9.982 -3.386 -16.992 1.00 0.00 C ATOM 974 O PRO A 64 -9.674 -2.199 -17.066 1.00 0.00 O ATOM 975 CB PRO A 64 -9.360 -5.042 -18.814 1.00 0.00 C ATOM 976 CG PRO A 64 -10.077 -6.346 -18.468 1.00 0.00 C ATOM 977 CD PRO A 64 -9.341 -6.801 -17.211 1.00 0.00 C ATOM 0 HA PRO A 64 -8.034 -3.934 -17.491 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.005 -4.369 -19.379 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.475 -5.222 -19.424 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.139 -6.188 -18.282 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.999 -7.078 -19.272 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.988 -7.407 -16.576 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.477 -7.415 -17.464 1.00 0.00 H new ATOM 985 N GLY A 65 -11.162 -3.801 -16.520 1.00 0.00 N ATOM 986 CA GLY A 65 -12.234 -2.916 -16.076 1.00 0.00 C ATOM 987 C GLY A 65 -11.759 -1.772 -15.178 1.00 0.00 C ATOM 988 O GLY A 65 -12.326 -0.682 -15.204 1.00 0.00 O ATOM 0 H GLY A 65 -11.400 -4.789 -16.436 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.732 -2.496 -16.950 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.978 -3.503 -15.537 1.00 0.00 H new ATOM 992 N THR A 66 -10.736 -2.020 -14.363 1.00 0.00 N ATOM 993 CA THR A 66 -10.178 -1.060 -13.429 1.00 0.00 C ATOM 994 C THR A 66 -9.294 0.010 -14.082 1.00 0.00 C ATOM 995 O THR A 66 -9.129 1.083 -13.508 1.00 0.00 O ATOM 996 CB THR A 66 -9.426 -1.827 -12.326 1.00 0.00 C ATOM 997 OG1 THR A 66 -9.428 -3.225 -12.579 1.00 0.00 O ATOM 998 CG2 THR A 66 -10.114 -1.570 -10.983 1.00 0.00 C ATOM 0 H THR A 66 -10.262 -2.923 -14.338 1.00 0.00 H new ATOM 0 HA THR A 66 -11.006 -0.497 -12.999 1.00 0.00 H new ATOM 0 HB THR A 66 -8.394 -1.478 -12.307 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.819 -3.424 -13.320 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.588 -2.110 -10.196 1.00 0.00 H new ATOM 0 HG22 THR A 66 -10.098 -0.502 -10.764 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.147 -1.915 -11.031 1.00 0.00 H new ATOM 1006 N ALA A 67 -8.713 -0.250 -15.258 1.00 0.00 N ATOM 1007 CA ALA A 67 -7.846 0.726 -15.913 1.00 0.00 C ATOM 1008 C ALA A 67 -8.604 2.004 -16.322 1.00 0.00 C ATOM 1009 O ALA A 67 -8.195 3.091 -15.902 1.00 0.00 O ATOM 1010 CB ALA A 67 -7.005 0.078 -17.023 1.00 0.00 C ATOM 0 H ALA A 67 -8.828 -1.124 -15.771 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.118 1.079 -15.183 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.372 0.834 -17.488 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.380 -0.706 -16.595 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.666 -0.355 -17.774 1.00 0.00 H new ATOM 1016 N PRO A 68 -9.695 1.923 -17.109 1.00 0.00 N ATOM 1017 CA PRO A 68 -10.491 3.083 -17.496 1.00 0.00 C ATOM 1018 C PRO A 68 -10.922 3.950 -16.311 1.00 0.00 C ATOM 1019 O PRO A 68 -10.878 5.172 -16.416 1.00 0.00 O ATOM 1020 CB PRO A 68 -11.721 2.531 -18.225 1.00 0.00 C ATOM 1021 CG PRO A 68 -11.214 1.215 -18.802 1.00 0.00 C ATOM 1022 CD PRO A 68 -10.263 0.728 -17.711 1.00 0.00 C ATOM 0 HA PRO A 68 -9.890 3.740 -18.125 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.559 2.378 -17.545 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -12.065 3.209 -19.006 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.025 0.509 -18.979 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -10.702 1.358 -19.754 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.794 0.132 -16.969 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.482 0.093 -18.130 1.00 0.00 H new ATOM 1030 N LYS A 69 -11.342 3.332 -15.198 1.00 0.00 N ATOM 1031 CA LYS A 69 -11.817 4.042 -14.010 1.00 0.00 C ATOM 1032 C LYS A 69 -10.907 5.209 -13.620 1.00 0.00 C ATOM 1033 O LYS A 69 -11.392 6.303 -13.342 1.00 0.00 O ATOM 1034 CB LYS A 69 -11.963 3.082 -12.821 1.00 0.00 C ATOM 1035 CG LYS A 69 -13.055 2.031 -13.043 1.00 0.00 C ATOM 1036 CD LYS A 69 -13.297 1.255 -11.741 1.00 0.00 C ATOM 1037 CE LYS A 69 -14.365 0.168 -11.920 1.00 0.00 C ATOM 1038 NZ LYS A 69 -13.894 -0.935 -12.775 1.00 0.00 N ATOM 0 H LYS A 69 -11.360 2.317 -15.100 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.793 4.454 -14.267 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.011 2.580 -12.645 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -12.192 3.655 -11.922 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.977 2.513 -13.367 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.758 1.345 -13.837 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.364 0.798 -11.411 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.608 1.946 -10.958 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.648 -0.226 -10.944 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -15.261 0.609 -12.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.689 -1.568 -12.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.506 -0.548 -13.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.154 -1.469 -12.276 1.00 0.00 H new ATOM 1130 N ILE A 75 1.860 1.640 -17.356 1.00 0.00 N ATOM 1131 CA ILE A 75 2.256 0.882 -16.176 1.00 0.00 C ATOM 1132 C ILE A 75 3.789 0.811 -16.149 1.00 0.00 C ATOM 1133 O ILE A 75 4.393 0.846 -17.223 1.00 0.00 O ATOM 1134 CB ILE A 75 1.619 -0.523 -16.216 1.00 0.00 C ATOM 1135 CG1 ILE A 75 1.907 -1.233 -17.551 1.00 0.00 C ATOM 1136 CG2 ILE A 75 0.109 -0.453 -15.941 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.278 -2.621 -17.602 1.00 0.00 C ATOM 0 HA ILE A 75 1.906 1.368 -15.265 1.00 0.00 H new ATOM 0 HB ILE A 75 2.077 -1.115 -15.424 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.523 -0.630 -18.374 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.984 -1.317 -17.693 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.314 -1.457 -15.975 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.062 -0.021 -14.955 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.370 0.169 -16.697 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.505 -3.088 -18.560 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.681 -3.233 -16.795 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.198 -2.535 -17.487 1.00 0.00 H new ATOM 1149 N PRO A 76 4.444 0.715 -14.978 1.00 0.00 N ATOM 1150 CA PRO A 76 3.857 0.685 -13.645 1.00 0.00 C ATOM 1151 C PRO A 76 3.276 2.052 -13.294 1.00 0.00 C ATOM 1152 O PRO A 76 3.844 3.078 -13.657 1.00 0.00 O ATOM 1153 CB PRO A 76 5.006 0.343 -12.688 1.00 0.00 C ATOM 1154 CG PRO A 76 6.243 0.855 -13.423 1.00 0.00 C ATOM 1155 CD PRO A 76 5.889 0.638 -14.894 1.00 0.00 C ATOM 0 HA PRO A 76 3.048 -0.042 -13.581 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.882 0.831 -11.721 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.066 -0.729 -12.499 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.435 1.906 -13.206 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.138 0.302 -13.138 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.356 1.396 -15.523 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.248 -0.331 -15.242 1.00 0.00 H new ATOM 1163 N THR A 77 2.148 2.050 -12.585 1.00 0.00 N ATOM 1164 CA THR A 77 1.480 3.255 -12.126 1.00 0.00 C ATOM 1165 C THR A 77 0.999 2.948 -10.711 1.00 0.00 C ATOM 1166 O THR A 77 0.346 1.927 -10.497 1.00 0.00 O ATOM 1167 CB THR A 77 0.364 3.650 -13.102 1.00 0.00 C ATOM 1168 OG1 THR A 77 0.946 4.058 -14.321 1.00 0.00 O ATOM 1169 CG2 THR A 77 -0.460 4.821 -12.579 1.00 0.00 C ATOM 0 H THR A 77 1.668 1.192 -12.311 1.00 0.00 H new ATOM 0 HA THR A 77 2.136 4.125 -12.098 1.00 0.00 H new ATOM 0 HB THR A 77 -0.285 2.783 -13.227 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.240 4.311 -14.952 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.239 5.069 -13.300 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.919 4.547 -11.629 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.188 5.685 -12.434 1.00 0.00 H new ATOM 1177 N LEU A 78 1.375 3.802 -9.758 1.00 0.00 N ATOM 1178 CA LEU A 78 1.127 3.657 -8.337 1.00 0.00 C ATOM 1179 C LEU A 78 0.076 4.680 -7.910 1.00 0.00 C ATOM 1180 O LEU A 78 0.346 5.876 -7.992 1.00 0.00 O ATOM 1181 CB LEU A 78 2.439 3.917 -7.572 1.00 0.00 C ATOM 1182 CG LEU A 78 3.676 3.170 -8.103 1.00 0.00 C ATOM 1183 CD1 LEU A 78 4.904 3.561 -7.274 1.00 0.00 C ATOM 1184 CD2 LEU A 78 3.489 1.652 -8.038 1.00 0.00 C ATOM 0 H LEU A 78 1.888 4.656 -9.976 1.00 0.00 H new ATOM 0 HA LEU A 78 0.768 2.651 -8.118 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.646 4.987 -7.594 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.291 3.642 -6.528 1.00 0.00 H new ATOM 0 HG LEU A 78 3.816 3.452 -9.146 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.780 3.032 -7.650 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.068 4.636 -7.351 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.739 3.293 -6.230 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.382 1.159 -8.421 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.323 1.350 -7.004 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.629 1.365 -8.643 1.00 0.00 H new ATOM 1196 N LEU A 79 -1.096 4.236 -7.450 1.00 0.00 N ATOM 1197 CA LEU A 79 -2.149 5.115 -6.941 1.00 0.00 C ATOM 1198 C LEU A 79 -2.232 4.891 -5.434 1.00 0.00 C ATOM 1199 O LEU A 79 -2.514 3.773 -5.002 1.00 0.00 O ATOM 1200 CB LEU A 79 -3.510 4.794 -7.572 1.00 0.00 C ATOM 1201 CG LEU A 79 -3.790 5.469 -8.921 1.00 0.00 C ATOM 1202 CD1 LEU A 79 -2.812 5.032 -10.008 1.00 0.00 C ATOM 1203 CD2 LEU A 79 -5.225 5.175 -9.364 1.00 0.00 C ATOM 0 H LEU A 79 -1.342 3.247 -7.421 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.909 6.149 -7.188 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.584 3.715 -7.704 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.293 5.084 -6.871 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.656 6.541 -8.778 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.055 5.539 -10.942 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.796 5.290 -9.709 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.885 3.954 -10.151 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.416 5.658 -10.322 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.361 4.098 -9.466 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.922 5.559 -8.619 1.00 0.00 H new ATOM 1215 N LEU A 80 -1.998 5.933 -4.634 1.00 0.00 N ATOM 1216 CA LEU A 80 -2.065 5.844 -3.184 1.00 0.00 C ATOM 1217 C LEU A 80 -3.458 6.272 -2.729 1.00 0.00 C ATOM 1218 O LEU A 80 -3.781 7.456 -2.768 1.00 0.00 O ATOM 1219 CB LEU A 80 -0.934 6.682 -2.582 1.00 0.00 C ATOM 1220 CG LEU A 80 -0.936 6.718 -1.048 1.00 0.00 C ATOM 1221 CD1 LEU A 80 -0.959 5.318 -0.429 1.00 0.00 C ATOM 1222 CD2 LEU A 80 0.319 7.457 -0.583 1.00 0.00 C ATOM 0 H LEU A 80 -1.757 6.862 -4.979 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.918 4.823 -2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.021 6.285 -2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.010 7.702 -2.960 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.842 7.228 -0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.959 5.401 0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.857 4.792 -0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.077 4.764 -0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.337 7.494 0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.204 6.933 -0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.312 8.472 -0.980 1.00 0.00 H new ATOM 1234 N PHE A 81 -4.278 5.305 -2.315 1.00 0.00 N ATOM 1235 CA PHE A 81 -5.654 5.497 -1.876 1.00 0.00 C ATOM 1236 C PHE A 81 -5.768 5.484 -0.354 1.00 0.00 C ATOM 1237 O PHE A 81 -5.343 4.524 0.287 1.00 0.00 O ATOM 1238 CB PHE A 81 -6.521 4.350 -2.412 1.00 0.00 C ATOM 1239 CG PHE A 81 -6.856 4.425 -3.889 1.00 0.00 C ATOM 1240 CD1 PHE A 81 -5.989 3.840 -4.827 1.00 0.00 C ATOM 1241 CD2 PHE A 81 -8.109 4.914 -4.308 1.00 0.00 C ATOM 1242 CE1 PHE A 81 -6.383 3.724 -6.170 1.00 0.00 C ATOM 1243 CE2 PHE A 81 -8.482 4.839 -5.661 1.00 0.00 C ATOM 1244 CZ PHE A 81 -7.601 4.277 -6.598 1.00 0.00 C ATOM 0 H PHE A 81 -3.986 4.328 -2.276 1.00 0.00 H new ATOM 0 HA PHE A 81 -5.986 6.464 -2.254 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.007 3.408 -2.221 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.452 4.326 -1.846 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.020 3.480 -4.515 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.786 5.348 -3.587 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.748 3.208 -6.875 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.444 5.213 -5.979 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.859 4.270 -7.647 1.00 0.00 H new ATOM 1297 N GLU A 85 -10.050 7.914 -1.294 1.00 0.00 N ATOM 1298 CA GLU A 85 -9.503 9.208 -1.657 1.00 0.00 C ATOM 1299 C GLU A 85 -8.082 9.023 -2.188 1.00 0.00 C ATOM 1300 O GLU A 85 -7.172 8.713 -1.420 1.00 0.00 O ATOM 1301 CB GLU A 85 -9.521 10.158 -0.449 1.00 0.00 C ATOM 1302 CG GLU A 85 -10.921 10.282 0.167 1.00 0.00 C ATOM 1303 CD GLU A 85 -10.931 11.299 1.303 1.00 0.00 C ATOM 1304 OE1 GLU A 85 -11.031 12.504 0.983 1.00 0.00 O ATOM 1305 OE2 GLU A 85 -10.826 10.858 2.468 1.00 0.00 O ATOM 0 HA GLU A 85 -10.117 9.656 -2.438 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.824 9.796 0.307 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -9.173 11.144 -0.758 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.634 10.582 -0.601 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.245 9.311 0.541 1.00 0.00 H new ATOM 1312 N VAL A 86 -7.885 9.211 -3.494 1.00 0.00 N ATOM 1313 CA VAL A 86 -6.561 9.144 -4.092 1.00 0.00 C ATOM 1314 C VAL A 86 -5.752 10.318 -3.531 1.00 0.00 C ATOM 1315 O VAL A 86 -6.045 11.471 -3.837 1.00 0.00 O ATOM 1316 CB VAL A 86 -6.661 9.192 -5.627 1.00 0.00 C ATOM 1317 CG1 VAL A 86 -5.267 9.200 -6.266 1.00 0.00 C ATOM 1318 CG2 VAL A 86 -7.419 7.969 -6.158 1.00 0.00 C ATOM 0 H VAL A 86 -8.634 9.412 -4.157 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.063 8.206 -3.847 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.194 10.107 -5.887 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.364 9.234 -7.351 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.715 10.075 -5.924 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.730 8.296 -5.978 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.479 8.022 -7.245 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.892 7.060 -5.867 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.425 7.955 -5.739 1.00 0.00 H new ATOM 1328 N ALA A 87 -4.744 10.029 -2.707 1.00 0.00 N ATOM 1329 CA ALA A 87 -3.904 11.039 -2.084 1.00 0.00 C ATOM 1330 C ALA A 87 -2.866 11.537 -3.087 1.00 0.00 C ATOM 1331 O ALA A 87 -2.637 12.738 -3.197 1.00 0.00 O ATOM 1332 CB ALA A 87 -3.227 10.445 -0.846 1.00 0.00 C ATOM 0 H ALA A 87 -4.489 9.074 -2.454 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.514 11.887 -1.774 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.597 11.201 -0.378 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.988 10.117 -0.137 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.614 9.593 -1.140 1.00 0.00 H new ATOM 1338 N ALA A 88 -2.251 10.615 -3.832 1.00 0.00 N ATOM 1339 CA ALA A 88 -1.261 10.941 -4.846 1.00 0.00 C ATOM 1340 C ALA A 88 -1.129 9.772 -5.815 1.00 0.00 C ATOM 1341 O ALA A 88 -1.529 8.647 -5.498 1.00 0.00 O ATOM 1342 CB ALA A 88 0.085 11.263 -4.193 1.00 0.00 C ATOM 0 H ALA A 88 -2.432 9.615 -3.743 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.584 11.824 -5.398 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.815 11.505 -4.965 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.030 12.115 -3.523 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.430 10.399 -3.625 1.00 0.00 H new ATOM 1348 N THR A 89 -0.572 10.052 -6.996 1.00 0.00 N ATOM 1349 CA THR A 89 -0.375 9.085 -8.059 1.00 0.00 C ATOM 1350 C THR A 89 1.026 9.256 -8.638 1.00 0.00 C ATOM 1351 O THR A 89 1.411 10.393 -8.907 1.00 0.00 O ATOM 1352 CB THR A 89 -1.413 9.327 -9.162 1.00 0.00 C ATOM 1353 OG1 THR A 89 -1.257 10.621 -9.717 1.00 0.00 O ATOM 1354 CG2 THR A 89 -2.836 9.241 -8.610 1.00 0.00 C ATOM 0 H THR A 89 -0.239 10.985 -7.238 1.00 0.00 H new ATOM 0 HA THR A 89 -0.489 8.075 -7.665 1.00 0.00 H new ATOM 0 HB THR A 89 -1.255 8.558 -9.919 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.346 10.941 -9.549 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.550 9.417 -9.415 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.003 8.250 -8.187 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.971 9.994 -7.834 1.00 0.00 H new ATOM 1362 N LYS A 90 1.755 8.162 -8.870 1.00 0.00 N ATOM 1363 CA LYS A 90 3.077 8.181 -9.479 1.00 0.00 C ATOM 1364 C LYS A 90 3.017 7.298 -10.723 1.00 0.00 C ATOM 1365 O LYS A 90 2.571 6.158 -10.634 1.00 0.00 O ATOM 1366 CB LYS A 90 4.122 7.682 -8.469 1.00 0.00 C ATOM 1367 CG LYS A 90 5.353 8.596 -8.387 1.00 0.00 C ATOM 1368 CD LYS A 90 6.155 8.721 -9.691 1.00 0.00 C ATOM 1369 CE LYS A 90 6.669 7.372 -10.207 1.00 0.00 C ATOM 1370 NZ LYS A 90 7.606 7.549 -11.330 1.00 0.00 N ATOM 0 H LYS A 90 1.433 7.224 -8.634 1.00 0.00 H new ATOM 0 HA LYS A 90 3.372 9.190 -9.766 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.662 7.610 -7.483 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.439 6.677 -8.747 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.029 9.591 -8.080 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.014 8.221 -7.606 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.528 9.181 -10.455 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.001 9.388 -9.529 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.165 6.836 -9.398 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.827 6.758 -10.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.296 6.771 -11.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.078 7.547 -12.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.107 8.455 -11.225 1.00 0.00 H new ATOM 1384 N VAL A 91 3.446 7.816 -11.875 1.00 0.00 N ATOM 1385 CA VAL A 91 3.448 7.101 -13.146 1.00 0.00 C ATOM 1386 C VAL A 91 4.898 6.758 -13.492 1.00 0.00 C ATOM 1387 O VAL A 91 5.756 7.640 -13.455 1.00 0.00 O ATOM 1388 CB VAL A 91 2.798 7.972 -14.236 1.00 0.00 C ATOM 1389 CG1 VAL A 91 2.761 7.236 -15.583 1.00 0.00 C ATOM 1390 CG2 VAL A 91 1.363 8.361 -13.855 1.00 0.00 C ATOM 0 H VAL A 91 3.809 8.766 -11.949 1.00 0.00 H new ATOM 0 HA VAL A 91 2.868 6.181 -13.077 1.00 0.00 H new ATOM 0 HB VAL A 91 3.408 8.871 -14.326 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.297 7.875 -16.334 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.777 6.992 -15.892 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.183 6.318 -15.480 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.931 8.976 -14.645 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.763 7.460 -13.728 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.374 8.924 -12.922 1.00 0.00 H new ATOM 1400 N GLY A 92 5.174 5.494 -13.814 1.00 0.00 N ATOM 1401 CA GLY A 92 6.503 5.012 -14.154 1.00 0.00 C ATOM 1402 C GLY A 92 7.255 4.527 -12.915 1.00 0.00 C ATOM 1403 O GLY A 92 6.786 4.665 -11.787 1.00 0.00 O ATOM 0 H GLY A 92 4.461 4.765 -13.845 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.423 4.198 -14.875 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.069 5.810 -14.636 1.00 0.00 H new ATOM 1407 N ALA A 93 8.437 3.943 -13.131 1.00 0.00 N ATOM 1408 CA ALA A 93 9.283 3.456 -12.050 1.00 0.00 C ATOM 1409 C ALA A 93 9.944 4.633 -11.323 1.00 0.00 C ATOM 1410 O ALA A 93 9.870 5.775 -11.774 1.00 0.00 O ATOM 1411 CB ALA A 93 10.330 2.494 -12.623 1.00 0.00 C ATOM 0 H ALA A 93 8.830 3.797 -14.061 1.00 0.00 H new ATOM 0 HA ALA A 93 8.677 2.917 -11.321 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.966 2.127 -11.818 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.828 1.653 -13.101 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.941 3.017 -13.358 1.00 0.00 H new ATOM 1417 N LEU A 94 10.605 4.346 -10.200 1.00 0.00 N ATOM 1418 CA LEU A 94 11.318 5.305 -9.370 1.00 0.00 C ATOM 1419 C LEU A 94 12.235 4.517 -8.437 1.00 0.00 C ATOM 1420 O LEU A 94 12.060 3.306 -8.296 1.00 0.00 O ATOM 1421 CB LEU A 94 10.347 6.215 -8.595 1.00 0.00 C ATOM 1422 CG LEU A 94 9.567 5.547 -7.448 1.00 0.00 C ATOM 1423 CD1 LEU A 94 8.744 6.619 -6.725 1.00 0.00 C ATOM 1424 CD2 LEU A 94 8.637 4.416 -7.909 1.00 0.00 C ATOM 0 H LEU A 94 10.657 3.396 -9.833 1.00 0.00 H new ATOM 0 HA LEU A 94 11.913 5.973 -9.992 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.913 7.051 -8.184 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.629 6.632 -9.301 1.00 0.00 H new ATOM 0 HG LEU A 94 10.302 5.089 -6.786 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.186 6.160 -5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.412 7.381 -6.324 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.049 7.079 -7.427 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.122 3.994 -7.046 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.904 4.812 -8.612 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.224 3.638 -8.397 1.00 0.00 H new ATOM 1436 N SER A 95 13.208 5.180 -7.811 1.00 0.00 N ATOM 1437 CA SER A 95 14.123 4.510 -6.898 1.00 0.00 C ATOM 1438 C SER A 95 13.426 4.179 -5.578 1.00 0.00 C ATOM 1439 O SER A 95 12.419 4.792 -5.218 1.00 0.00 O ATOM 1440 CB SER A 95 15.346 5.395 -6.630 1.00 0.00 C ATOM 1441 OG SER A 95 14.950 6.583 -5.973 1.00 0.00 O ATOM 0 H SER A 95 13.379 6.179 -7.922 1.00 0.00 H new ATOM 0 HA SER A 95 14.448 3.580 -7.364 1.00 0.00 H new ATOM 0 HB2 SER A 95 16.069 4.855 -6.018 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.842 5.638 -7.570 1.00 0.00 H new ATOM 0 HG SER A 95 14.531 7.190 -6.618 1.00 0.00 H new ATOM 1447 N LYS A 96 14.008 3.242 -4.821 1.00 0.00 N ATOM 1448 CA LYS A 96 13.517 2.900 -3.496 1.00 0.00 C ATOM 1449 C LYS A 96 13.489 4.167 -2.639 1.00 0.00 C ATOM 1450 O LYS A 96 12.516 4.412 -1.934 1.00 0.00 O ATOM 1451 CB LYS A 96 14.394 1.799 -2.885 1.00 0.00 C ATOM 1452 CG LYS A 96 13.853 1.333 -1.526 1.00 0.00 C ATOM 1453 CD LYS A 96 14.594 0.075 -1.057 1.00 0.00 C ATOM 1454 CE LYS A 96 14.024 -0.404 0.282 1.00 0.00 C ATOM 1455 NZ LYS A 96 14.696 -1.628 0.755 1.00 0.00 N ATOM 0 H LYS A 96 14.826 2.707 -5.113 1.00 0.00 H new ATOM 0 HA LYS A 96 12.502 2.506 -3.550 1.00 0.00 H new ATOM 0 HB2 LYS A 96 14.442 0.951 -3.568 1.00 0.00 H new ATOM 0 HB3 LYS A 96 15.412 2.169 -2.764 1.00 0.00 H new ATOM 0 HG2 LYS A 96 13.970 2.128 -0.789 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.786 1.126 -1.604 1.00 0.00 H new ATOM 0 HD2 LYS A 96 14.498 -0.713 -1.804 1.00 0.00 H new ATOM 0 HD3 LYS A 96 15.658 0.288 -0.953 1.00 0.00 H new ATOM 0 HE2 LYS A 96 14.136 0.383 1.027 1.00 0.00 H new ATOM 0 HE3 LYS A 96 12.956 -0.593 0.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.261 -1.941 1.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 14.597 -2.377 0.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 15.705 -1.431 0.913 1.00 0.00 H new ATOM 1469 N GLY A 97 14.543 4.987 -2.727 1.00 0.00 N ATOM 1470 CA GLY A 97 14.632 6.250 -2.011 1.00 0.00 C ATOM 1471 C GLY A 97 13.433 7.137 -2.342 1.00 0.00 C ATOM 1472 O GLY A 97 12.671 7.506 -1.450 1.00 0.00 O ATOM 0 H GLY A 97 15.360 4.785 -3.303 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.670 6.065 -0.938 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.556 6.762 -2.279 1.00 0.00 H new ATOM 1476 N GLN A 98 13.244 7.458 -3.628 1.00 0.00 N ATOM 1477 CA GLN A 98 12.120 8.282 -4.058 1.00 0.00 C ATOM 1478 C GLN A 98 10.795 7.705 -3.551 1.00 0.00 C ATOM 1479 O GLN A 98 9.951 8.445 -3.048 1.00 0.00 O ATOM 1480 CB GLN A 98 12.090 8.394 -5.582 1.00 0.00 C ATOM 1481 CG GLN A 98 13.208 9.286 -6.129 1.00 0.00 C ATOM 1482 CD GLN A 98 13.350 9.073 -7.631 1.00 0.00 C ATOM 1483 OE1 GLN A 98 13.737 7.987 -8.057 1.00 0.00 O ATOM 1484 NE2 GLN A 98 13.025 10.074 -8.442 1.00 0.00 N ATOM 0 H GLN A 98 13.858 7.157 -4.385 1.00 0.00 H new ATOM 0 HA GLN A 98 12.251 9.277 -3.633 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.178 7.399 -6.018 1.00 0.00 H new ATOM 0 HB3 GLN A 98 11.125 8.794 -5.894 1.00 0.00 H new ATOM 0 HG2 GLN A 98 12.986 10.332 -5.920 1.00 0.00 H new ATOM 0 HG3 GLN A 98 14.148 9.054 -5.629 1.00 0.00 H new ATOM 0 HE21 GLN A 98 12.707 10.962 -8.054 1.00 0.00 H new ATOM 0 HE22 GLN A 98 13.093 9.954 -9.453 1.00 0.00 H new ATOM 1493 N LEU A 99 10.605 6.390 -3.685 1.00 0.00 N ATOM 1494 CA LEU A 99 9.385 5.739 -3.235 1.00 0.00 C ATOM 1495 C LEU A 99 9.190 5.948 -1.730 1.00 0.00 C ATOM 1496 O LEU A 99 8.136 6.419 -1.309 1.00 0.00 O ATOM 1497 CB LEU A 99 9.403 4.262 -3.652 1.00 0.00 C ATOM 1498 CG LEU A 99 8.123 3.482 -3.311 1.00 0.00 C ATOM 1499 CD1 LEU A 99 6.840 4.151 -3.821 1.00 0.00 C ATOM 1500 CD2 LEU A 99 8.222 2.091 -3.945 1.00 0.00 C ATOM 0 H LEU A 99 11.287 5.758 -4.104 1.00 0.00 H new ATOM 0 HA LEU A 99 8.518 6.192 -3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.572 4.204 -4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.249 3.773 -3.170 1.00 0.00 H new ATOM 0 HG LEU A 99 8.054 3.442 -2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.978 3.544 -3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.745 5.142 -3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.884 4.243 -4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.322 1.521 -3.714 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.322 2.190 -5.026 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.093 1.571 -3.547 1.00 0.00 H new ATOM 1512 N LYS A 100 10.203 5.638 -0.918 1.00 0.00 N ATOM 1513 CA LYS A 100 10.132 5.827 0.525 1.00 0.00 C ATOM 1514 C LYS A 100 9.792 7.278 0.869 1.00 0.00 C ATOM 1515 O LYS A 100 8.916 7.522 1.698 1.00 0.00 O ATOM 1516 CB LYS A 100 11.440 5.407 1.205 1.00 0.00 C ATOM 1517 CG LYS A 100 11.607 3.883 1.197 1.00 0.00 C ATOM 1518 CD LYS A 100 12.894 3.422 1.896 1.00 0.00 C ATOM 1519 CE LYS A 100 12.964 3.792 3.384 1.00 0.00 C ATOM 1520 NZ LYS A 100 11.792 3.303 4.130 1.00 0.00 N ATOM 0 H LYS A 100 11.089 5.251 -1.244 1.00 0.00 H new ATOM 0 HA LYS A 100 9.334 5.187 0.903 1.00 0.00 H new ATOM 0 HB2 LYS A 100 12.284 5.870 0.693 1.00 0.00 H new ATOM 0 HB3 LYS A 100 11.452 5.771 2.232 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.748 3.425 1.688 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.611 3.528 0.166 1.00 0.00 H new ATOM 0 HD2 LYS A 100 12.981 2.340 1.797 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.750 3.859 1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 100 13.871 3.373 3.819 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.032 4.875 3.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 11.934 3.469 5.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 10.942 3.810 3.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.672 2.284 3.959 1.00 0.00 H new ATOM 1534 N GLU A 101 10.479 8.229 0.229 1.00 0.00 N ATOM 1535 CA GLU A 101 10.262 9.655 0.431 1.00 0.00 C ATOM 1536 C GLU A 101 8.804 10.010 0.120 1.00 0.00 C ATOM 1537 O GLU A 101 8.122 10.610 0.946 1.00 0.00 O ATOM 1538 CB GLU A 101 11.227 10.449 -0.459 1.00 0.00 C ATOM 1539 CG GLU A 101 12.688 10.302 0.000 1.00 0.00 C ATOM 1540 CD GLU A 101 13.667 10.636 -1.123 1.00 0.00 C ATOM 1541 OE1 GLU A 101 13.394 11.621 -1.844 1.00 0.00 O ATOM 1542 OE2 GLU A 101 14.667 9.896 -1.250 1.00 0.00 O ATOM 0 H GLU A 101 11.210 8.022 -0.452 1.00 0.00 H new ATOM 0 HA GLU A 101 10.458 9.914 1.471 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.135 10.106 -1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.948 11.502 -0.447 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.871 10.959 0.850 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.861 9.282 0.343 1.00 0.00 H new ATOM 1549 N PHE A 102 8.328 9.626 -1.066 1.00 0.00 N ATOM 1550 CA PHE A 102 6.962 9.861 -1.516 1.00 0.00 C ATOM 1551 C PHE A 102 5.965 9.321 -0.486 1.00 0.00 C ATOM 1552 O PHE A 102 5.071 10.037 -0.028 1.00 0.00 O ATOM 1553 CB PHE A 102 6.773 9.199 -2.889 1.00 0.00 C ATOM 1554 CG PHE A 102 5.355 9.199 -3.432 1.00 0.00 C ATOM 1555 CD1 PHE A 102 4.897 10.273 -4.218 1.00 0.00 C ATOM 1556 CD2 PHE A 102 4.532 8.072 -3.244 1.00 0.00 C ATOM 1557 CE1 PHE A 102 3.641 10.201 -4.846 1.00 0.00 C ATOM 1558 CE2 PHE A 102 3.270 8.008 -3.859 1.00 0.00 C ATOM 1559 CZ PHE A 102 2.833 9.062 -4.678 1.00 0.00 C ATOM 0 H PHE A 102 8.898 9.132 -1.753 1.00 0.00 H new ATOM 0 HA PHE A 102 6.777 10.931 -1.615 1.00 0.00 H new ATOM 0 HB2 PHE A 102 7.417 9.706 -3.608 1.00 0.00 H new ATOM 0 HB3 PHE A 102 7.117 8.167 -2.824 1.00 0.00 H new ATOM 0 HD1 PHE A 102 5.511 11.153 -4.339 1.00 0.00 H new ATOM 0 HD2 PHE A 102 4.872 7.254 -2.625 1.00 0.00 H new ATOM 0 HE1 PHE A 102 3.296 11.021 -5.458 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.636 7.148 -3.702 1.00 0.00 H new ATOM 0 HZ PHE A 102 1.878 8.998 -5.178 1.00 0.00 H new ATOM 1569 N LEU A 103 6.120 8.050 -0.115 1.00 0.00 N ATOM 1570 CA LEU A 103 5.241 7.407 0.846 1.00 0.00 C ATOM 1571 C LEU A 103 5.266 8.148 2.179 1.00 0.00 C ATOM 1572 O LEU A 103 4.212 8.489 2.705 1.00 0.00 O ATOM 1573 CB LEU A 103 5.633 5.938 1.015 1.00 0.00 C ATOM 1574 CG LEU A 103 5.381 5.132 -0.268 1.00 0.00 C ATOM 1575 CD1 LEU A 103 6.050 3.765 -0.128 1.00 0.00 C ATOM 1576 CD2 LEU A 103 3.885 4.990 -0.572 1.00 0.00 C ATOM 0 H LEU A 103 6.858 7.444 -0.474 1.00 0.00 H new ATOM 0 HA LEU A 103 4.219 7.444 0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.687 5.871 1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.065 5.502 1.836 1.00 0.00 H new ATOM 0 HG LEU A 103 5.814 5.668 -1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.879 3.182 -1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.122 3.898 0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.627 3.239 0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.753 4.413 -1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.393 4.477 0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.444 5.979 -0.699 1.00 0.00 H new ATOM 1588 N ASP A 104 6.457 8.420 2.715 1.00 0.00 N ATOM 1589 CA ASP A 104 6.606 9.147 3.968 1.00 0.00 C ATOM 1590 C ASP A 104 5.886 10.495 3.894 1.00 0.00 C ATOM 1591 O ASP A 104 5.100 10.830 4.775 1.00 0.00 O ATOM 1592 CB ASP A 104 8.092 9.331 4.294 1.00 0.00 C ATOM 1593 CG ASP A 104 8.267 10.105 5.594 1.00 0.00 C ATOM 1594 OD1 ASP A 104 8.108 9.466 6.657 1.00 0.00 O ATOM 1595 OD2 ASP A 104 8.547 11.320 5.501 1.00 0.00 O ATOM 0 H ASP A 104 7.342 8.141 2.290 1.00 0.00 H new ATOM 0 HA ASP A 104 6.149 8.568 4.770 1.00 0.00 H new ATOM 0 HB2 ASP A 104 8.574 8.357 4.377 1.00 0.00 H new ATOM 0 HB3 ASP A 104 8.585 9.862 3.480 1.00 0.00 H new ATOM 1600 N ALA A 105 6.143 11.258 2.830 1.00 0.00 N ATOM 1601 CA ALA A 105 5.533 12.560 2.608 1.00 0.00 C ATOM 1602 C ALA A 105 4.006 12.467 2.580 1.00 0.00 C ATOM 1603 O ALA A 105 3.328 13.337 3.122 1.00 0.00 O ATOM 1604 CB ALA A 105 6.069 13.168 1.311 1.00 0.00 C ATOM 0 H ALA A 105 6.790 10.981 2.092 1.00 0.00 H new ATOM 0 HA ALA A 105 5.799 13.211 3.441 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.609 14.143 1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 105 7.150 13.284 1.383 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.830 12.511 0.475 1.00 0.00 H new ATOM 1610 N ASN A 106 3.455 11.416 1.965 1.00 0.00 N ATOM 1611 CA ASN A 106 2.007 11.276 1.842 1.00 0.00 C ATOM 1612 C ASN A 106 1.392 10.798 3.155 1.00 0.00 C ATOM 1613 O ASN A 106 0.387 11.347 3.595 1.00 0.00 O ATOM 1614 CB ASN A 106 1.652 10.276 0.736 1.00 0.00 C ATOM 1615 CG ASN A 106 1.624 10.913 -0.647 1.00 0.00 C ATOM 1616 OD1 ASN A 106 0.572 11.339 -1.107 1.00 0.00 O ATOM 1617 ND2 ASN A 106 2.764 10.972 -1.328 1.00 0.00 N ATOM 0 H ASN A 106 3.990 10.655 1.547 1.00 0.00 H new ATOM 0 HA ASN A 106 1.604 12.257 1.591 1.00 0.00 H new ATOM 0 HB2 ASN A 106 2.377 9.462 0.742 1.00 0.00 H new ATOM 0 HB3 ASN A 106 0.677 9.836 0.949 1.00 0.00 H new ATOM 0 HD21 ASN A 106 2.779 11.381 -2.262 1.00 0.00 H new ATOM 0 HD22 ASN A 106 3.623 10.608 -0.916 1.00 0.00 H new ATOM 1624 N LEU A 107 1.975 9.779 3.787 1.00 0.00 N ATOM 1625 CA LEU A 107 1.485 9.258 5.058 1.00 0.00 C ATOM 1626 C LEU A 107 1.577 10.355 6.122 1.00 0.00 C ATOM 1627 O LEU A 107 0.646 10.554 6.897 1.00 0.00 O ATOM 1628 CB LEU A 107 2.296 8.018 5.464 1.00 0.00 C ATOM 1629 CG LEU A 107 2.067 6.812 4.537 1.00 0.00 C ATOM 1630 CD1 LEU A 107 3.186 5.789 4.754 1.00 0.00 C ATOM 1631 CD2 LEU A 107 0.711 6.144 4.794 1.00 0.00 C ATOM 0 H LEU A 107 2.799 9.294 3.431 1.00 0.00 H new ATOM 0 HA LEU A 107 0.442 8.957 4.959 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.356 8.270 5.466 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.033 7.738 6.484 1.00 0.00 H new ATOM 0 HG LEU A 107 2.073 7.172 3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.028 4.932 4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.148 6.248 4.525 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.180 5.458 5.792 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.589 5.297 4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.667 5.795 5.826 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.088 6.865 4.621 1.00 0.00 H new ATOM 1643 N ALA A 108 2.705 11.071 6.136 1.00 0.00 N ATOM 1644 CA ALA A 108 2.991 12.181 7.028 1.00 0.00 C ATOM 1645 C ALA A 108 3.551 13.338 6.199 1.00 0.00 C ATOM 1646 O ALA A 108 4.389 14.106 6.670 1.00 0.00 O ATOM 1647 CB ALA A 108 3.971 11.719 8.113 1.00 0.00 C ATOM 0 H ALA A 108 3.474 10.878 5.494 1.00 0.00 H new ATOM 0 HA ALA A 108 2.087 12.527 7.530 1.00 0.00 H new ATOM 0 HB1 ALA A 108 4.188 12.550 8.785 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.527 10.901 8.680 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.895 11.378 7.647 1.00 0.00 H new