USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 762 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 46 MET CE :methyl 150:sc= -1.26 (180deg=-2.68!) USER MOD Set 1.2: B 24 HIS : no HD1:sc= -0.723 K(o=-2,f=-3.9!) USER MOD Set 2.1: A 8 ASN : amide:sc= 1.01 K(o=2.6,f=-5.1!) USER MOD Set 2.2: A 9 LYS NZ :NH3+ -166:sc= 1.6 (180deg=0.315) USER MOD Single : A 5 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0481) USER MOD Single : A 12 ASN : amide:sc= -0.008 X(o=-0.008,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -174:sc= 1.23 (180deg=1.06) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 1.28 (180deg=1.28) USER MOD Single : A 15 LYS NZ :NH3+ -129:sc= -0.368 (180deg=-2.15!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 169:sc= 1.03 (180deg=0.694) USER MOD Single : A 35 SER OG : rot -85:sc= 1.09 USER MOD Single : A 40 LYS NZ :NH3+ -148:sc= 0.44 (180deg=-0.725!) USER MOD Single : A 43 ASN : amide:sc= 1.15 K(o=1.2,f=-0.17) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ -165:sc= -0.0813 (180deg=-0.346) USER MOD Single : B 8 ASN : amide:sc= -0.192 K(o=-0.19,f=-1.8!) USER MOD Single : B 9 LYS NZ :NH3+ -167:sc= -0.0332 (180deg=-0.261) USER MOD Single : B 12 ASN : amide:sc= 0.69 K(o=0.69,f=-0.048) USER MOD Single : B 13 LYS NZ :NH3+ 158:sc= 1.28 (180deg=0.786) USER MOD Single : B 14 LYS NZ :NH3+ -179:sc= 1.54 (180deg=1.51) USER MOD Single : B 15 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0787) USER MOD Single : B 19 GLN :FLIP amide:sc= -0.414 F(o=-2,f=-0.41) USER MOD Single : B 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 30 LYS NZ :NH3+ -113:sc= 0.995 (180deg=-1.08) USER MOD Single : B 35 SER OG : rot -75:sc= 1.26 USER MOD Single : B 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 ASN : amide:sc= 1.21 K(o=1.2,f=-0.073) USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 MET CE :methyl 170:sc= -1.1 (180deg=-1.28) USER MOD ----------------------------------------------------------------- ATOM 59 N GLN A 5 16.136 -13.611 3.492 1.00 0.00 N ATOM 60 CA GLN A 5 16.869 -12.369 3.355 1.00 0.00 C ATOM 61 C GLN A 5 16.269 -11.497 2.252 1.00 0.00 C ATOM 62 O GLN A 5 16.532 -10.291 2.180 1.00 0.00 O ATOM 63 CB GLN A 5 18.332 -12.626 3.086 1.00 0.00 C ATOM 64 CG GLN A 5 18.996 -13.505 4.132 1.00 0.00 C ATOM 65 CD GLN A 5 20.489 -13.665 3.936 1.00 0.00 C ATOM 66 OE1 GLN A 5 20.948 -13.577 2.715 1.00 0.00 O flip ATOM 67 NE2 GLN A 5 21.229 -13.863 4.907 1.00 0.00 N flip ATOM 0 HA GLN A 5 16.786 -11.832 4.300 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.436 -13.097 2.108 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.857 -11.672 3.038 1.00 0.00 H new ATOM 0 HG2 GLN A 5 18.812 -13.081 5.119 1.00 0.00 H new ATOM 0 HG3 GLN A 5 18.529 -14.490 4.115 1.00 0.00 H new ATOM 0 HE21 GLN A 5 20.834 -13.926 5.845 1.00 0.00 H new ATOM 0 HE22 GLN A 5 22.235 -13.964 4.770 1.00 0.00 H new ATOM 76 N LEU A 6 15.485 -12.111 1.397 1.00 0.00 N ATOM 77 CA LEU A 6 14.739 -11.404 0.380 1.00 0.00 C ATOM 78 C LEU A 6 13.548 -10.701 1.040 1.00 0.00 C ATOM 79 O LEU A 6 13.294 -9.523 0.792 1.00 0.00 O ATOM 80 CB LEU A 6 14.318 -12.404 -0.739 1.00 0.00 C ATOM 81 CG LEU A 6 13.361 -11.950 -1.874 1.00 0.00 C ATOM 82 CD1 LEU A 6 11.921 -11.979 -1.423 1.00 0.00 C ATOM 83 CD2 LEU A 6 13.721 -10.567 -2.404 1.00 0.00 C ATOM 0 H LEU A 6 15.345 -13.121 1.387 1.00 0.00 H new ATOM 0 HA LEU A 6 15.347 -10.635 -0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 6 15.232 -12.763 -1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 6 13.855 -13.260 -0.249 1.00 0.00 H new ATOM 0 HG LEU A 6 13.482 -12.662 -2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.277 -11.656 -2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.652 -12.994 -1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.792 -11.309 -0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 6 13.026 -10.289 -3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 6 13.658 -9.840 -1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 6 14.736 -10.582 -2.800 1.00 0.00 H new ATOM 95 N LYS A 7 12.860 -11.422 1.920 1.00 0.00 N ATOM 96 CA LYS A 7 11.716 -10.888 2.657 1.00 0.00 C ATOM 97 C LYS A 7 12.221 -9.763 3.563 1.00 0.00 C ATOM 98 O LYS A 7 11.540 -8.772 3.805 1.00 0.00 O ATOM 99 CB LYS A 7 11.078 -12.016 3.485 1.00 0.00 C ATOM 100 CG LYS A 7 9.552 -11.989 3.564 1.00 0.00 C ATOM 101 CD LYS A 7 8.986 -10.791 4.332 1.00 0.00 C ATOM 102 CE LYS A 7 9.318 -10.835 5.821 1.00 0.00 C ATOM 103 NZ LYS A 7 8.646 -11.942 6.533 1.00 0.00 N ATOM 0 H LYS A 7 13.079 -12.393 2.143 1.00 0.00 H new ATOM 0 HA LYS A 7 10.960 -10.494 1.978 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.386 -12.972 3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.478 -11.971 4.498 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.147 -11.982 2.552 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.207 -12.907 4.039 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.381 -9.870 3.903 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.904 -10.762 4.206 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.397 -10.934 5.944 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.030 -9.889 6.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.814 -11.850 7.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.624 -11.905 6.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.027 -12.851 6.200 1.00 0.00 H new ATOM 117 N ASN A 8 13.454 -9.931 3.991 1.00 0.00 N ATOM 118 CA ASN A 8 14.201 -8.964 4.789 1.00 0.00 C ATOM 119 C ASN A 8 14.312 -7.628 4.052 1.00 0.00 C ATOM 120 O ASN A 8 14.162 -6.562 4.653 1.00 0.00 O ATOM 121 CB ASN A 8 15.607 -9.533 4.993 1.00 0.00 C ATOM 122 CG ASN A 8 16.583 -8.619 5.688 1.00 0.00 C ATOM 123 OD1 ASN A 8 17.241 -7.792 5.045 1.00 0.00 O ATOM 124 ND2 ASN A 8 16.763 -8.824 6.947 1.00 0.00 N ATOM 0 H ASN A 8 13.990 -10.775 3.788 1.00 0.00 H new ATOM 0 HA ASN A 8 13.693 -8.793 5.738 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.527 -10.455 5.569 1.00 0.00 H new ATOM 0 HB3 ASN A 8 16.017 -9.800 4.019 1.00 0.00 H new ATOM 0 HD21 ASN A 8 17.472 -8.294 7.454 1.00 0.00 H new ATOM 0 HD22 ASN A 8 16.197 -9.517 7.437 1.00 0.00 H new ATOM 131 N LYS A 9 14.543 -7.693 2.745 1.00 0.00 N ATOM 132 CA LYS A 9 14.700 -6.490 1.929 1.00 0.00 C ATOM 133 C LYS A 9 13.349 -5.851 1.676 1.00 0.00 C ATOM 134 O LYS A 9 13.233 -4.628 1.613 1.00 0.00 O ATOM 135 CB LYS A 9 15.405 -6.812 0.604 1.00 0.00 C ATOM 136 CG LYS A 9 16.760 -7.481 0.783 1.00 0.00 C ATOM 137 CD LYS A 9 17.732 -6.604 1.562 1.00 0.00 C ATOM 138 CE LYS A 9 18.998 -7.363 1.908 1.00 0.00 C ATOM 139 NZ LYS A 9 18.717 -8.519 2.788 1.00 0.00 N ATOM 0 H LYS A 9 14.626 -8.567 2.225 1.00 0.00 H new ATOM 0 HA LYS A 9 15.324 -5.783 2.475 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.764 -7.462 0.009 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.536 -5.890 0.038 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.630 -8.429 1.304 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.183 -7.710 -0.195 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.983 -5.722 0.972 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.255 -6.251 2.476 1.00 0.00 H new ATOM 0 HE2 LYS A 9 19.477 -7.710 0.992 1.00 0.00 H new ATOM 0 HE3 LYS A 9 19.702 -6.692 2.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 19.607 -8.870 3.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.079 -8.225 3.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 18.267 -9.276 2.234 1.00 0.00 H new ATOM 153 N ILE A 10 12.337 -6.689 1.551 1.00 0.00 N ATOM 154 CA ILE A 10 10.960 -6.249 1.374 1.00 0.00 C ATOM 155 C ILE A 10 10.531 -5.412 2.578 1.00 0.00 C ATOM 156 O ILE A 10 10.066 -4.285 2.422 1.00 0.00 O ATOM 157 CB ILE A 10 10.027 -7.475 1.184 1.00 0.00 C ATOM 158 CG1 ILE A 10 10.414 -8.190 -0.116 1.00 0.00 C ATOM 159 CG2 ILE A 10 8.550 -7.067 1.176 1.00 0.00 C ATOM 160 CD1 ILE A 10 9.615 -9.424 -0.414 1.00 0.00 C ATOM 0 H ILE A 10 12.445 -7.703 1.569 1.00 0.00 H new ATOM 0 HA ILE A 10 10.888 -5.631 0.479 1.00 0.00 H new ATOM 0 HB ILE A 10 10.154 -8.155 2.026 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.302 -7.492 -0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.469 -8.460 -0.066 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.929 -7.952 1.041 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.299 -6.589 2.123 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.370 -6.369 0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.958 -9.862 -1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.745 -10.145 0.393 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.560 -9.163 -0.500 1.00 0.00 H new ATOM 172 N GLU A 11 10.748 -5.958 3.770 1.00 0.00 N ATOM 173 CA GLU A 11 10.469 -5.258 5.026 1.00 0.00 C ATOM 174 C GLU A 11 11.252 -3.962 5.103 1.00 0.00 C ATOM 175 O GLU A 11 10.688 -2.903 5.376 1.00 0.00 O ATOM 176 CB GLU A 11 10.831 -6.146 6.214 1.00 0.00 C ATOM 177 CG GLU A 11 9.940 -7.358 6.374 1.00 0.00 C ATOM 178 CD GLU A 11 8.528 -6.980 6.731 1.00 0.00 C ATOM 179 OE1 GLU A 11 8.232 -6.818 7.932 1.00 0.00 O ATOM 180 OE2 GLU A 11 7.686 -6.814 5.830 1.00 0.00 O ATOM 0 H GLU A 11 11.122 -6.898 3.896 1.00 0.00 H new ATOM 0 HA GLU A 11 9.404 -5.027 5.058 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.863 -6.479 6.104 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.784 -5.551 7.126 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.938 -7.931 5.447 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.348 -8.007 7.149 1.00 0.00 H new ATOM 187 N ASN A 12 12.533 -4.061 4.819 1.00 0.00 N ATOM 188 CA ASN A 12 13.461 -2.932 4.866 1.00 0.00 C ATOM 189 C ASN A 12 12.972 -1.778 3.979 1.00 0.00 C ATOM 190 O ASN A 12 12.807 -0.647 4.446 1.00 0.00 O ATOM 191 CB ASN A 12 14.850 -3.393 4.389 1.00 0.00 C ATOM 192 CG ASN A 12 15.959 -2.370 4.603 1.00 0.00 C ATOM 193 OD1 ASN A 12 16.640 -2.384 5.632 1.00 0.00 O ATOM 194 ND2 ASN A 12 16.167 -1.501 3.652 1.00 0.00 N ATOM 0 H ASN A 12 12.974 -4.939 4.544 1.00 0.00 H new ATOM 0 HA ASN A 12 13.518 -2.574 5.894 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.114 -4.312 4.912 1.00 0.00 H new ATOM 0 HB3 ASN A 12 14.795 -3.635 3.328 1.00 0.00 H new ATOM 0 HD21 ASN A 12 16.909 -0.808 3.748 1.00 0.00 H new ATOM 0 HD22 ASN A 12 15.587 -1.515 2.813 1.00 0.00 H new ATOM 201 N LYS A 13 12.682 -2.091 2.718 1.00 0.00 N ATOM 202 CA LYS A 13 12.299 -1.085 1.735 1.00 0.00 C ATOM 203 C LYS A 13 10.902 -0.516 2.052 1.00 0.00 C ATOM 204 O LYS A 13 10.645 0.674 1.851 1.00 0.00 O ATOM 205 CB LYS A 13 12.336 -1.688 0.322 1.00 0.00 C ATOM 206 CG LYS A 13 12.394 -0.656 -0.806 1.00 0.00 C ATOM 207 CD LYS A 13 13.683 0.161 -0.769 1.00 0.00 C ATOM 208 CE LYS A 13 14.956 -0.677 -0.935 1.00 0.00 C ATOM 209 NZ LYS A 13 15.098 -1.248 -2.293 1.00 0.00 N ATOM 0 H LYS A 13 12.706 -3.043 2.352 1.00 0.00 H new ATOM 0 HA LYS A 13 13.013 -0.263 1.781 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.203 -2.343 0.243 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.452 -2.311 0.183 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.315 -1.165 -1.767 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.538 0.014 -0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.648 0.911 -1.559 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.734 0.698 0.178 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.825 -0.056 -0.715 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.950 -1.486 -0.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.920 -1.885 -2.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.239 -1.781 -2.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.235 -0.479 -2.980 1.00 0.00 H new ATOM 223 N LYS A 14 10.023 -1.381 2.549 1.00 0.00 N ATOM 224 CA LYS A 14 8.686 -1.019 2.989 1.00 0.00 C ATOM 225 C LYS A 14 8.785 0.041 4.072 1.00 0.00 C ATOM 226 O LYS A 14 8.104 1.052 4.031 1.00 0.00 O ATOM 227 CB LYS A 14 7.999 -2.266 3.573 1.00 0.00 C ATOM 228 CG LYS A 14 6.552 -2.084 4.024 1.00 0.00 C ATOM 229 CD LYS A 14 6.031 -3.337 4.741 1.00 0.00 C ATOM 230 CE LYS A 14 6.647 -3.496 6.116 1.00 0.00 C ATOM 231 NZ LYS A 14 6.287 -4.782 6.761 1.00 0.00 N ATOM 0 H LYS A 14 10.228 -2.374 2.658 1.00 0.00 H new ATOM 0 HA LYS A 14 8.112 -0.634 2.147 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.028 -3.057 2.824 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.583 -2.613 4.425 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.482 -1.225 4.691 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.924 -1.869 3.160 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.946 -3.278 4.833 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.253 -4.219 4.139 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.732 -3.427 6.033 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.323 -2.672 6.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.735 -4.838 7.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.254 -4.840 6.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.619 -5.571 6.171 1.00 0.00 H new ATOM 245 N LYS A 15 9.668 -0.194 5.030 1.00 0.00 N ATOM 246 CA LYS A 15 9.850 0.715 6.136 1.00 0.00 C ATOM 247 C LYS A 15 10.469 2.025 5.680 1.00 0.00 C ATOM 248 O LYS A 15 10.095 3.093 6.186 1.00 0.00 O ATOM 249 CB LYS A 15 10.636 0.061 7.263 1.00 0.00 C ATOM 250 CG LYS A 15 9.940 -1.171 7.825 1.00 0.00 C ATOM 251 CD LYS A 15 10.738 -1.897 8.911 1.00 0.00 C ATOM 252 CE LYS A 15 10.782 -1.150 10.264 1.00 0.00 C ATOM 253 NZ LYS A 15 11.705 0.018 10.284 1.00 0.00 N ATOM 0 H LYS A 15 10.272 -1.016 5.058 1.00 0.00 H new ATOM 0 HA LYS A 15 8.866 0.958 6.538 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.624 -0.220 6.897 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.787 0.785 8.064 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.975 -0.875 8.235 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.740 -1.866 7.010 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.305 -2.885 9.067 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.758 -2.049 8.558 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.777 -0.809 10.511 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.082 -1.850 11.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.336 -0.052 11.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.273 0.027 9.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.152 0.897 10.346 1.00 0.00 H new ATOM 267 N GLU A 16 11.378 1.950 4.692 1.00 0.00 N ATOM 268 CA GLU A 16 11.941 3.147 4.068 1.00 0.00 C ATOM 269 C GLU A 16 10.818 4.002 3.502 1.00 0.00 C ATOM 270 O GLU A 16 10.793 5.229 3.689 1.00 0.00 O ATOM 271 CB GLU A 16 12.922 2.800 2.944 1.00 0.00 C ATOM 272 CG GLU A 16 14.244 2.184 3.361 1.00 0.00 C ATOM 273 CD GLU A 16 15.143 1.945 2.159 1.00 0.00 C ATOM 274 OE1 GLU A 16 15.502 2.937 1.455 1.00 0.00 O ATOM 275 OE2 GLU A 16 15.473 0.782 1.864 1.00 0.00 O ATOM 0 H GLU A 16 11.734 1.072 4.313 1.00 0.00 H new ATOM 0 HA GLU A 16 12.488 3.693 4.837 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.426 2.111 2.260 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.133 3.710 2.383 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.747 2.842 4.070 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.062 1.241 3.876 1.00 0.00 H new ATOM 282 N LEU A 17 9.881 3.340 2.858 1.00 0.00 N ATOM 283 CA LEU A 17 8.732 3.975 2.268 1.00 0.00 C ATOM 284 C LEU A 17 7.798 4.538 3.324 1.00 0.00 C ATOM 285 O LEU A 17 7.310 5.657 3.181 1.00 0.00 O ATOM 286 CB LEU A 17 8.023 2.990 1.295 1.00 0.00 C ATOM 287 CG LEU A 17 6.602 3.327 0.788 1.00 0.00 C ATOM 288 CD1 LEU A 17 5.537 3.014 1.803 1.00 0.00 C ATOM 289 CD2 LEU A 17 6.503 4.745 0.262 1.00 0.00 C ATOM 0 H LEU A 17 9.901 2.328 2.730 1.00 0.00 H new ATOM 0 HA LEU A 17 9.064 4.832 1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.664 2.872 0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.974 2.019 1.788 1.00 0.00 H new ATOM 0 HG LEU A 17 6.413 2.668 -0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.559 3.270 1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.564 1.951 2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.715 3.594 2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.487 4.935 -0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.753 5.447 1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.198 4.875 -0.568 1.00 0.00 H new ATOM 301 N ILE A 18 7.536 3.774 4.362 1.00 0.00 N ATOM 302 CA ILE A 18 6.635 4.220 5.409 1.00 0.00 C ATOM 303 C ILE A 18 7.151 5.511 6.029 1.00 0.00 C ATOM 304 O ILE A 18 6.392 6.448 6.236 1.00 0.00 O ATOM 305 CB ILE A 18 6.414 3.146 6.499 1.00 0.00 C ATOM 306 CG1 ILE A 18 5.754 1.900 5.882 1.00 0.00 C ATOM 307 CG2 ILE A 18 5.523 3.719 7.623 1.00 0.00 C ATOM 308 CD1 ILE A 18 5.878 0.662 6.731 1.00 0.00 C ATOM 0 H ILE A 18 7.931 2.845 4.506 1.00 0.00 H new ATOM 0 HA ILE A 18 5.666 4.403 4.945 1.00 0.00 H new ATOM 0 HB ILE A 18 7.377 2.860 6.921 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.698 2.107 5.711 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.203 1.707 4.908 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.370 2.959 8.389 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.010 4.588 8.066 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.560 4.015 7.208 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.389 -0.173 6.230 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.932 0.428 6.882 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.403 0.834 7.697 1.00 0.00 H new ATOM 320 N GLN A 19 8.459 5.569 6.267 1.00 0.00 N ATOM 321 CA GLN A 19 9.087 6.773 6.781 1.00 0.00 C ATOM 322 C GLN A 19 8.908 7.927 5.797 1.00 0.00 C ATOM 323 O GLN A 19 8.769 9.072 6.204 1.00 0.00 O ATOM 324 CB GLN A 19 10.567 6.564 7.023 1.00 0.00 C ATOM 325 CG GLN A 19 10.915 5.540 8.074 1.00 0.00 C ATOM 326 CD GLN A 19 12.412 5.395 8.214 1.00 0.00 C ATOM 327 OE1 GLN A 19 13.034 4.595 7.517 1.00 0.00 O ATOM 328 NE2 GLN A 19 13.002 6.140 9.104 1.00 0.00 N ATOM 0 H GLN A 19 9.101 4.792 6.110 1.00 0.00 H new ATOM 0 HA GLN A 19 8.604 7.012 7.728 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.033 6.267 6.083 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.009 7.518 7.310 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.484 5.835 9.031 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.476 4.578 7.809 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.456 6.793 9.665 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.011 6.070 9.240 1.00 0.00 H new ATOM 337 N LEU A 20 8.897 7.611 4.507 1.00 0.00 N ATOM 338 CA LEU A 20 8.713 8.612 3.472 1.00 0.00 C ATOM 339 C LEU A 20 7.304 9.195 3.505 1.00 0.00 C ATOM 340 O LEU A 20 7.151 10.414 3.535 1.00 0.00 O ATOM 341 CB LEU A 20 9.059 8.087 2.072 1.00 0.00 C ATOM 342 CG LEU A 20 10.517 7.679 1.822 1.00 0.00 C ATOM 343 CD1 LEU A 20 10.681 7.164 0.413 1.00 0.00 C ATOM 344 CD2 LEU A 20 11.466 8.840 2.065 1.00 0.00 C ATOM 0 H LEU A 20 9.015 6.661 4.155 1.00 0.00 H new ATOM 0 HA LEU A 20 9.418 9.414 3.691 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.426 7.224 1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.793 8.856 1.347 1.00 0.00 H new ATOM 0 HG LEU A 20 10.767 6.885 2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.720 6.878 0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.038 6.296 0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.404 7.945 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.490 8.518 1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.216 9.661 1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.373 9.176 3.098 1.00 0.00 H new ATOM 356 N VAL A 21 6.264 8.347 3.492 1.00 0.00 N ATOM 357 CA VAL A 21 4.922 8.858 3.615 1.00 0.00 C ATOM 358 C VAL A 21 4.721 9.562 4.980 1.00 0.00 C ATOM 359 O VAL A 21 3.984 10.513 5.081 1.00 0.00 O ATOM 360 CB VAL A 21 3.845 7.758 3.412 1.00 0.00 C ATOM 361 CG1 VAL A 21 4.123 6.891 2.216 1.00 0.00 C ATOM 362 CG2 VAL A 21 3.566 6.939 4.640 1.00 0.00 C ATOM 0 H VAL A 21 6.338 7.334 3.399 1.00 0.00 H new ATOM 0 HA VAL A 21 4.793 9.588 2.816 1.00 0.00 H new ATOM 0 HB VAL A 21 2.925 8.307 3.210 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.339 6.139 2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.145 7.507 1.317 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.086 6.397 2.341 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.803 6.194 4.415 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.480 6.438 4.958 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.212 7.590 5.439 1.00 0.00 H new ATOM 372 N ALA A 22 5.408 9.084 6.000 1.00 0.00 N ATOM 373 CA ALA A 22 5.316 9.633 7.335 1.00 0.00 C ATOM 374 C ALA A 22 5.871 11.048 7.394 1.00 0.00 C ATOM 375 O ALA A 22 5.188 11.972 7.849 1.00 0.00 O ATOM 376 CB ALA A 22 6.043 8.735 8.305 1.00 0.00 C ATOM 0 H ALA A 22 6.051 8.296 5.922 1.00 0.00 H new ATOM 0 HA ALA A 22 4.264 9.685 7.614 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.972 9.151 9.310 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.592 7.743 8.291 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.091 8.661 8.016 1.00 0.00 H new ATOM 382 N ARG A 23 7.090 11.220 6.870 1.00 0.00 N ATOM 383 CA ARG A 23 7.806 12.510 6.855 1.00 0.00 C ATOM 384 C ARG A 23 7.050 13.562 6.053 1.00 0.00 C ATOM 385 O ARG A 23 7.330 14.755 6.157 1.00 0.00 O ATOM 386 CB ARG A 23 9.257 12.339 6.380 1.00 0.00 C ATOM 387 CG ARG A 23 9.386 11.914 4.947 1.00 0.00 C ATOM 388 CD ARG A 23 10.751 11.322 4.637 1.00 0.00 C ATOM 389 NE ARG A 23 11.879 12.209 4.916 1.00 0.00 N ATOM 390 CZ ARG A 23 13.163 11.810 4.917 1.00 0.00 C ATOM 391 NH1 ARG A 23 13.469 10.525 4.719 1.00 0.00 N ATOM 392 NH2 ARG A 23 14.126 12.681 5.138 1.00 0.00 N ATOM 0 H ARG A 23 7.617 10.461 6.438 1.00 0.00 H new ATOM 0 HA ARG A 23 7.852 12.877 7.880 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.786 13.282 6.517 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.751 11.601 7.013 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.614 11.179 4.718 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.210 12.773 4.299 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.875 10.406 5.215 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.779 11.041 3.584 1.00 0.00 H new ATOM 0 HE ARG A 23 11.680 13.188 5.122 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.727 9.842 4.566 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.444 10.227 4.721 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.898 13.660 5.309 1.00 0.00 H new ATOM 0 HH22 ARG A 23 15.099 12.376 5.138 1.00 0.00 H new ATOM 406 N HIS A 24 6.132 13.094 5.210 1.00 0.00 N ATOM 407 CA HIS A 24 5.207 13.959 4.494 1.00 0.00 C ATOM 408 C HIS A 24 4.446 14.863 5.488 1.00 0.00 C ATOM 409 O HIS A 24 4.250 16.051 5.226 1.00 0.00 O ATOM 410 CB HIS A 24 4.225 13.102 3.652 1.00 0.00 C ATOM 411 CG HIS A 24 3.028 13.846 3.103 1.00 0.00 C ATOM 412 ND1 HIS A 24 1.747 13.713 3.606 1.00 0.00 N ATOM 413 CD2 HIS A 24 2.937 14.743 2.093 1.00 0.00 C ATOM 414 CE1 HIS A 24 0.940 14.513 2.908 1.00 0.00 C ATOM 415 NE2 HIS A 24 1.611 15.165 1.974 1.00 0.00 N ATOM 0 H HIS A 24 6.011 12.102 5.006 1.00 0.00 H new ATOM 0 HA HIS A 24 5.768 14.602 3.815 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.774 12.664 2.818 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.868 12.277 4.268 1.00 0.00 H new ATOM 0 HD2 HIS A 24 3.759 15.079 1.478 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -0.121 14.615 3.083 1.00 0.00 H new ATOM 0 HE2 HIS A 24 1.237 15.838 1.304 1.00 0.00 H new ATOM 423 N GLY A 25 4.070 14.309 6.635 1.00 0.00 N ATOM 424 CA GLY A 25 3.355 15.094 7.615 1.00 0.00 C ATOM 425 C GLY A 25 2.272 14.330 8.355 1.00 0.00 C ATOM 426 O GLY A 25 1.419 14.945 9.008 1.00 0.00 O ATOM 0 H GLY A 25 4.247 13.340 6.899 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.068 15.486 8.341 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.903 15.952 7.117 1.00 0.00 H new ATOM 430 N LEU A 26 2.278 13.010 8.233 1.00 0.00 N ATOM 431 CA LEU A 26 1.353 12.147 8.910 1.00 0.00 C ATOM 432 C LEU A 26 1.449 12.192 10.417 1.00 0.00 C ATOM 433 O LEU A 26 2.519 12.429 10.989 1.00 0.00 O ATOM 434 CB LEU A 26 1.554 10.718 8.463 1.00 0.00 C ATOM 435 CG LEU A 26 0.771 10.282 7.249 1.00 0.00 C ATOM 436 CD1 LEU A 26 1.141 11.018 5.984 1.00 0.00 C ATOM 437 CD2 LEU A 26 0.813 8.786 7.077 1.00 0.00 C ATOM 0 H LEU A 26 2.945 12.510 7.645 1.00 0.00 H new ATOM 0 HA LEU A 26 0.364 12.517 8.640 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.614 10.569 8.258 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.294 10.060 9.292 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.264 10.565 7.442 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.535 10.648 5.157 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.960 12.085 6.117 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.196 10.854 5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.239 8.505 6.194 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.847 8.463 6.956 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.383 8.306 7.956 1.00 0.00 H new ATOM 449 N ASP A 27 0.310 11.954 11.040 1.00 0.00 N ATOM 450 CA ASP A 27 0.200 11.811 12.482 1.00 0.00 C ATOM 451 C ASP A 27 0.889 10.502 12.840 1.00 0.00 C ATOM 452 O ASP A 27 0.982 9.607 11.985 1.00 0.00 O ATOM 453 CB ASP A 27 -1.282 11.682 12.907 1.00 0.00 C ATOM 454 CG ASP A 27 -2.209 12.765 12.375 1.00 0.00 C ATOM 455 OD1 ASP A 27 -2.656 12.665 11.202 1.00 0.00 O ATOM 456 OD2 ASP A 27 -2.544 13.700 13.126 1.00 0.00 O ATOM 0 H ASP A 27 -0.580 11.853 10.552 1.00 0.00 H new ATOM 0 HA ASP A 27 0.640 12.677 12.976 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.655 10.713 12.575 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.332 11.687 13.996 1.00 0.00 H new ATOM 461 N HIS A 28 1.325 10.351 14.068 1.00 0.00 N ATOM 462 CA HIS A 28 2.021 9.121 14.483 1.00 0.00 C ATOM 463 C HIS A 28 1.100 7.907 14.353 1.00 0.00 C ATOM 464 O HIS A 28 1.523 6.829 13.923 1.00 0.00 O ATOM 465 CB HIS A 28 2.571 9.238 15.912 1.00 0.00 C ATOM 466 CG HIS A 28 3.589 10.330 16.078 1.00 0.00 C ATOM 467 ND1 HIS A 28 3.431 11.405 16.919 1.00 0.00 N ATOM 468 CD2 HIS A 28 4.801 10.492 15.494 1.00 0.00 C ATOM 469 CE1 HIS A 28 4.510 12.173 16.822 1.00 0.00 C ATOM 470 NE2 HIS A 28 5.382 11.665 15.969 1.00 0.00 N ATOM 0 H HIS A 28 1.219 11.049 14.804 1.00 0.00 H new ATOM 0 HA HIS A 28 2.871 8.982 13.815 1.00 0.00 H new ATOM 0 HB2 HIS A 28 1.743 9.418 16.597 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.021 8.287 16.198 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.245 9.819 14.775 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.656 13.093 17.369 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.290 12.051 15.712 1.00 0.00 H new ATOM 478 N ASP A 29 -0.166 8.118 14.671 1.00 0.00 N ATOM 479 CA ASP A 29 -1.209 7.099 14.557 1.00 0.00 C ATOM 480 C ASP A 29 -1.386 6.679 13.109 1.00 0.00 C ATOM 481 O ASP A 29 -1.511 5.500 12.805 1.00 0.00 O ATOM 482 CB ASP A 29 -2.522 7.640 15.126 1.00 0.00 C ATOM 483 CG ASP A 29 -3.713 6.728 14.898 1.00 0.00 C ATOM 484 OD1 ASP A 29 -3.725 5.595 15.412 1.00 0.00 O ATOM 485 OD2 ASP A 29 -4.692 7.173 14.233 1.00 0.00 O ATOM 0 H ASP A 29 -0.508 9.013 15.021 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.912 6.220 15.129 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.402 7.804 16.197 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.729 8.611 14.676 1.00 0.00 H new ATOM 490 N LYS A 30 -1.314 7.651 12.219 1.00 0.00 N ATOM 491 CA LYS A 30 -1.451 7.425 10.786 1.00 0.00 C ATOM 492 C LYS A 30 -0.341 6.522 10.276 1.00 0.00 C ATOM 493 O LYS A 30 -0.585 5.623 9.483 1.00 0.00 O ATOM 494 CB LYS A 30 -1.397 8.749 10.051 1.00 0.00 C ATOM 495 CG LYS A 30 -2.569 9.662 10.309 1.00 0.00 C ATOM 496 CD LYS A 30 -3.813 9.228 9.582 1.00 0.00 C ATOM 497 CE LYS A 30 -4.950 10.218 9.800 1.00 0.00 C ATOM 498 NZ LYS A 30 -4.595 11.614 9.411 1.00 0.00 N ATOM 0 H LYS A 30 -1.158 8.628 12.468 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.410 6.941 10.605 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.481 9.268 10.333 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.336 8.552 8.981 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.771 9.694 11.380 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.309 10.676 10.003 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.603 9.140 8.516 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.115 8.240 9.930 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.818 9.897 9.225 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.240 10.203 10.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.453 12.201 9.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.915 12.003 10.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.169 11.612 8.462 1.00 0.00 H new ATOM 512 N VAL A 31 0.873 6.750 10.766 1.00 0.00 N ATOM 513 CA VAL A 31 2.033 5.967 10.375 1.00 0.00 C ATOM 514 C VAL A 31 1.832 4.515 10.801 1.00 0.00 C ATOM 515 O VAL A 31 2.114 3.584 10.043 1.00 0.00 O ATOM 516 CB VAL A 31 3.331 6.530 11.021 1.00 0.00 C ATOM 517 CG1 VAL A 31 4.565 5.771 10.560 1.00 0.00 C ATOM 518 CG2 VAL A 31 3.475 8.016 10.732 1.00 0.00 C ATOM 0 H VAL A 31 1.077 7.483 11.445 1.00 0.00 H new ATOM 0 HA VAL A 31 2.140 6.024 9.292 1.00 0.00 H new ATOM 0 HB VAL A 31 3.246 6.392 12.099 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.451 6.195 11.034 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.472 4.721 10.838 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.659 5.852 9.477 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.389 8.389 11.193 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.521 8.174 9.655 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.618 8.551 11.141 1.00 0.00 H new ATOM 528 N LEU A 32 1.305 4.339 11.995 1.00 0.00 N ATOM 529 CA LEU A 32 1.023 3.021 12.542 1.00 0.00 C ATOM 530 C LEU A 32 -0.050 2.317 11.724 1.00 0.00 C ATOM 531 O LEU A 32 0.132 1.178 11.313 1.00 0.00 O ATOM 532 CB LEU A 32 0.604 3.144 14.001 1.00 0.00 C ATOM 533 CG LEU A 32 1.637 3.796 14.928 1.00 0.00 C ATOM 534 CD1 LEU A 32 1.087 3.928 16.324 1.00 0.00 C ATOM 535 CD2 LEU A 32 2.941 3.008 14.940 1.00 0.00 C ATOM 0 H LEU A 32 1.058 5.107 12.619 1.00 0.00 H new ATOM 0 HA LEU A 32 1.929 2.417 12.491 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.319 3.722 14.049 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.376 2.148 14.381 1.00 0.00 H new ATOM 0 HG LEU A 32 1.850 4.793 14.543 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.834 4.393 16.967 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.190 4.547 16.305 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.838 2.940 16.712 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.654 3.494 15.606 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.750 1.994 15.291 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.353 2.971 13.932 1.00 0.00 H new ATOM 547 N LEU A 33 -1.135 3.022 11.440 1.00 0.00 N ATOM 548 CA LEU A 33 -2.234 2.475 10.643 1.00 0.00 C ATOM 549 C LEU A 33 -1.750 2.081 9.251 1.00 0.00 C ATOM 550 O LEU A 33 -2.021 0.977 8.778 1.00 0.00 O ATOM 551 CB LEU A 33 -3.375 3.485 10.523 1.00 0.00 C ATOM 552 CG LEU A 33 -4.005 3.966 11.829 1.00 0.00 C ATOM 553 CD1 LEU A 33 -5.073 5.001 11.542 1.00 0.00 C ATOM 554 CD2 LEU A 33 -4.583 2.804 12.624 1.00 0.00 C ATOM 0 H LEU A 33 -1.283 3.982 11.751 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.603 1.586 11.154 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.003 4.356 9.983 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.159 3.041 9.910 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.224 4.425 12.435 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.515 5.337 12.480 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.627 5.851 11.026 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.847 4.561 10.913 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.024 3.179 13.548 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.350 2.304 12.032 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.790 2.096 12.862 1.00 0.00 H new ATOM 566 N PHE A 34 -1.008 2.978 8.621 1.00 0.00 N ATOM 567 CA PHE A 34 -0.474 2.743 7.293 1.00 0.00 C ATOM 568 C PHE A 34 0.475 1.557 7.284 1.00 0.00 C ATOM 569 O PHE A 34 0.320 0.656 6.475 1.00 0.00 O ATOM 570 CB PHE A 34 0.236 3.996 6.757 1.00 0.00 C ATOM 571 CG PHE A 34 0.871 3.817 5.397 1.00 0.00 C ATOM 572 CD1 PHE A 34 0.097 3.771 4.256 1.00 0.00 C ATOM 573 CD2 PHE A 34 2.245 3.688 5.269 1.00 0.00 C ATOM 574 CE1 PHE A 34 0.676 3.603 3.015 1.00 0.00 C ATOM 575 CE2 PHE A 34 2.825 3.520 4.028 1.00 0.00 C ATOM 576 CZ PHE A 34 2.038 3.480 2.905 1.00 0.00 C ATOM 0 H PHE A 34 -0.761 3.885 9.016 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.314 2.513 6.637 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.484 4.813 6.704 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.006 4.295 7.468 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.976 3.868 4.335 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.869 3.719 6.150 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.057 3.568 2.130 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.897 3.420 3.941 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.491 3.352 1.933 1.00 0.00 H new ATOM 586 N SER A 35 1.424 1.547 8.207 1.00 0.00 N ATOM 587 CA SER A 35 2.426 0.502 8.254 1.00 0.00 C ATOM 588 C SER A 35 1.814 -0.878 8.449 1.00 0.00 C ATOM 589 O SER A 35 2.211 -1.830 7.779 1.00 0.00 O ATOM 590 CB SER A 35 3.493 0.803 9.316 1.00 0.00 C ATOM 591 OG SER A 35 2.915 1.054 10.579 1.00 0.00 O ATOM 0 H SER A 35 1.519 2.255 8.935 1.00 0.00 H new ATOM 0 HA SER A 35 2.918 0.489 7.282 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.180 -0.040 9.391 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.081 1.667 9.007 1.00 0.00 H new ATOM 0 HG SER A 35 2.664 1.999 10.642 1.00 0.00 H new ATOM 597 N ARG A 36 0.825 -0.975 9.321 1.00 0.00 N ATOM 598 CA ARG A 36 0.200 -2.249 9.582 1.00 0.00 C ATOM 599 C ARG A 36 -0.706 -2.688 8.437 1.00 0.00 C ATOM 600 O ARG A 36 -0.757 -3.872 8.107 1.00 0.00 O ATOM 601 CB ARG A 36 -0.517 -2.273 10.935 1.00 0.00 C ATOM 602 CG ARG A 36 -1.667 -1.296 11.091 1.00 0.00 C ATOM 603 CD ARG A 36 -2.130 -1.245 12.534 1.00 0.00 C ATOM 604 NE ARG A 36 -2.507 -2.580 13.024 1.00 0.00 N ATOM 605 CZ ARG A 36 -2.722 -2.917 14.301 1.00 0.00 C ATOM 606 NH1 ARG A 36 -2.591 -2.014 15.270 1.00 0.00 N ATOM 607 NH2 ARG A 36 -3.064 -4.166 14.603 1.00 0.00 N ATOM 0 H ARG A 36 0.444 -0.192 9.853 1.00 0.00 H new ATOM 0 HA ARG A 36 1.001 -2.986 9.644 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.896 -3.281 11.106 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.215 -2.071 11.717 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.354 -0.303 10.768 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.495 -1.594 10.448 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.335 -0.838 13.159 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.981 -0.570 12.621 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.614 -3.316 12.326 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.325 -1.056 15.042 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.757 -2.280 16.241 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.161 -4.861 13.863 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.229 -4.429 15.575 1.00 0.00 H new ATOM 621 N ASP A 37 -1.381 -1.744 7.783 1.00 0.00 N ATOM 622 CA ASP A 37 -2.261 -2.122 6.672 1.00 0.00 C ATOM 623 C ASP A 37 -1.438 -2.486 5.467 1.00 0.00 C ATOM 624 O ASP A 37 -1.793 -3.379 4.697 1.00 0.00 O ATOM 625 CB ASP A 37 -3.263 -1.042 6.307 1.00 0.00 C ATOM 626 CG ASP A 37 -4.343 -1.601 5.394 1.00 0.00 C ATOM 627 OD1 ASP A 37 -5.128 -2.487 5.858 1.00 0.00 O ATOM 628 OD2 ASP A 37 -4.426 -1.217 4.221 1.00 0.00 O ATOM 0 H ASP A 37 -1.342 -0.746 7.990 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.838 -2.983 7.009 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.717 -0.639 7.212 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.752 -0.216 5.812 1.00 0.00 H new ATOM 633 N LEU A 38 -0.319 -1.812 5.328 1.00 0.00 N ATOM 634 CA LEU A 38 0.634 -2.089 4.281 1.00 0.00 C ATOM 635 C LEU A 38 1.268 -3.439 4.507 1.00 0.00 C ATOM 636 O LEU A 38 1.474 -4.203 3.567 1.00 0.00 O ATOM 637 CB LEU A 38 1.681 -0.976 4.233 1.00 0.00 C ATOM 638 CG LEU A 38 2.845 -1.129 3.260 1.00 0.00 C ATOM 639 CD1 LEU A 38 2.364 -1.477 1.875 1.00 0.00 C ATOM 640 CD2 LEU A 38 3.586 0.165 3.196 1.00 0.00 C ATOM 0 H LEU A 38 -0.043 -1.049 5.946 1.00 0.00 H new ATOM 0 HA LEU A 38 0.126 -2.118 3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.167 -0.045 3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.096 -0.864 5.235 1.00 0.00 H new ATOM 0 HG LEU A 38 3.487 -1.935 3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.220 -1.578 1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.815 -2.418 1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.709 -0.687 1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.422 0.071 2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.915 0.952 2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.962 0.418 4.187 1.00 0.00 H new ATOM 652 N ASP A 39 1.559 -3.735 5.756 1.00 0.00 N ATOM 653 CA ASP A 39 2.089 -5.031 6.129 1.00 0.00 C ATOM 654 C ASP A 39 1.075 -6.099 5.739 1.00 0.00 C ATOM 655 O ASP A 39 1.415 -7.093 5.098 1.00 0.00 O ATOM 656 CB ASP A 39 2.367 -5.078 7.627 1.00 0.00 C ATOM 657 CG ASP A 39 3.051 -6.343 8.038 1.00 0.00 C ATOM 658 OD1 ASP A 39 4.298 -6.407 7.914 1.00 0.00 O ATOM 659 OD2 ASP A 39 2.372 -7.276 8.488 1.00 0.00 O ATOM 0 H ASP A 39 1.436 -3.090 6.537 1.00 0.00 H new ATOM 0 HA ASP A 39 3.030 -5.211 5.609 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.986 -4.226 7.906 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.428 -4.982 8.172 1.00 0.00 H new ATOM 664 N LYS A 40 -0.182 -5.848 6.084 1.00 0.00 N ATOM 665 CA LYS A 40 -1.298 -6.710 5.704 1.00 0.00 C ATOM 666 C LYS A 40 -1.354 -6.911 4.194 1.00 0.00 C ATOM 667 O LYS A 40 -1.445 -8.045 3.722 1.00 0.00 O ATOM 668 CB LYS A 40 -2.623 -6.110 6.163 1.00 0.00 C ATOM 669 CG LYS A 40 -2.907 -6.223 7.636 1.00 0.00 C ATOM 670 CD LYS A 40 -4.132 -5.394 8.094 1.00 0.00 C ATOM 671 CE LYS A 40 -5.455 -5.719 7.376 1.00 0.00 C ATOM 672 NZ LYS A 40 -5.556 -5.151 5.997 1.00 0.00 N ATOM 0 H LYS A 40 -0.459 -5.037 6.638 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.138 -7.673 6.189 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.640 -5.056 5.887 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.431 -6.596 5.616 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.073 -7.271 7.887 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.029 -5.897 8.193 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.272 -5.546 9.164 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.909 -4.337 7.948 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.570 -6.802 7.321 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.284 -5.341 7.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.548 -4.919 5.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.978 -4.288 5.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.212 -5.850 5.308 1.00 0.00 H new ATOM 686 N LEU A 41 -1.293 -5.809 3.458 1.00 0.00 N ATOM 687 CA LEU A 41 -1.354 -5.813 2.003 1.00 0.00 C ATOM 688 C LEU A 41 -0.242 -6.655 1.404 1.00 0.00 C ATOM 689 O LEU A 41 -0.493 -7.485 0.534 1.00 0.00 O ATOM 690 CB LEU A 41 -1.305 -4.378 1.450 1.00 0.00 C ATOM 691 CG LEU A 41 -1.302 -4.233 -0.079 1.00 0.00 C ATOM 692 CD1 LEU A 41 -2.517 -4.906 -0.692 1.00 0.00 C ATOM 693 CD2 LEU A 41 -1.252 -2.767 -0.477 1.00 0.00 C ATOM 0 H LEU A 41 -1.199 -4.876 3.860 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.304 -6.262 1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.162 -3.831 1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.411 -3.892 1.841 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.410 -4.728 -0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.490 -4.788 -1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.510 -5.967 -0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.424 -4.447 -0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.251 -2.685 -1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.124 -2.251 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.345 -2.312 -0.078 1.00 0.00 H new ATOM 705 N ILE A 42 0.960 -6.459 1.882 1.00 0.00 N ATOM 706 CA ILE A 42 2.087 -7.206 1.386 1.00 0.00 C ATOM 707 C ILE A 42 1.928 -8.699 1.691 1.00 0.00 C ATOM 708 O ILE A 42 1.891 -9.504 0.763 1.00 0.00 O ATOM 709 CB ILE A 42 3.437 -6.620 1.886 1.00 0.00 C ATOM 710 CG1 ILE A 42 3.580 -5.191 1.354 1.00 0.00 C ATOM 711 CG2 ILE A 42 4.609 -7.463 1.417 1.00 0.00 C ATOM 712 CD1 ILE A 42 4.868 -4.504 1.713 1.00 0.00 C ATOM 0 H ILE A 42 1.184 -5.787 2.616 1.00 0.00 H new ATOM 0 HA ILE A 42 2.109 -7.107 0.301 1.00 0.00 H new ATOM 0 HB ILE A 42 3.440 -6.621 2.976 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.488 -5.213 0.268 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.750 -4.594 1.732 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.539 -7.028 1.782 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.506 -8.477 1.804 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.625 -7.490 0.327 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.874 -3.499 1.291 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.958 -4.443 2.798 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.707 -5.071 1.311 1.00 0.00 H new ATOM 724 N ASN A 43 1.730 -9.052 2.967 1.00 0.00 N ATOM 725 CA ASN A 43 1.532 -10.474 3.388 1.00 0.00 C ATOM 726 C ASN A 43 0.387 -11.141 2.622 1.00 0.00 C ATOM 727 O ASN A 43 0.441 -12.338 2.321 1.00 0.00 O ATOM 728 CB ASN A 43 1.252 -10.610 4.897 1.00 0.00 C ATOM 729 CG ASN A 43 2.454 -10.382 5.800 1.00 0.00 C ATOM 730 OD1 ASN A 43 3.175 -11.309 6.133 1.00 0.00 O ATOM 731 ND2 ASN A 43 2.653 -9.178 6.222 1.00 0.00 N ATOM 0 H ASN A 43 1.700 -8.384 3.737 1.00 0.00 H new ATOM 0 HA ASN A 43 2.471 -10.976 3.155 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.472 -9.900 5.171 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.857 -11.608 5.089 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.431 -8.980 6.852 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.033 -8.425 5.925 1.00 0.00 H new ATOM 738 N LYS A 44 -0.626 -10.345 2.291 1.00 0.00 N ATOM 739 CA LYS A 44 -1.802 -10.785 1.530 1.00 0.00 C ATOM 740 C LYS A 44 -1.371 -11.357 0.185 1.00 0.00 C ATOM 741 O LYS A 44 -1.872 -12.394 -0.266 1.00 0.00 O ATOM 742 CB LYS A 44 -2.722 -9.573 1.295 1.00 0.00 C ATOM 743 CG LYS A 44 -4.016 -9.841 0.531 1.00 0.00 C ATOM 744 CD LYS A 44 -4.742 -8.532 0.178 1.00 0.00 C ATOM 745 CE LYS A 44 -5.057 -7.694 1.414 1.00 0.00 C ATOM 746 NZ LYS A 44 -5.802 -6.454 1.087 1.00 0.00 N ATOM 0 H LYS A 44 -0.658 -9.358 2.546 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.329 -11.557 2.091 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.980 -9.147 2.265 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.156 -8.815 0.754 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.793 -10.393 -0.382 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.671 -10.471 1.132 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.125 -7.949 -0.506 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.669 -8.763 -0.348 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.642 -8.291 2.114 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.127 -7.432 1.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.991 -5.922 1.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.235 -5.869 0.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.703 -6.701 0.630 1.00 0.00 H new ATOM 760 N PHE A 45 -0.443 -10.682 -0.437 1.00 0.00 N ATOM 761 CA PHE A 45 0.047 -11.072 -1.729 1.00 0.00 C ATOM 762 C PHE A 45 1.161 -12.104 -1.658 1.00 0.00 C ATOM 763 O PHE A 45 1.286 -12.948 -2.550 1.00 0.00 O ATOM 764 CB PHE A 45 0.470 -9.851 -2.536 1.00 0.00 C ATOM 765 CG PHE A 45 -0.685 -9.108 -3.142 1.00 0.00 C ATOM 766 CD1 PHE A 45 -1.474 -8.255 -2.390 1.00 0.00 C ATOM 767 CD2 PHE A 45 -0.982 -9.280 -4.471 1.00 0.00 C ATOM 768 CE1 PHE A 45 -2.539 -7.591 -2.968 1.00 0.00 C ATOM 769 CE2 PHE A 45 -2.039 -8.624 -5.054 1.00 0.00 C ATOM 770 CZ PHE A 45 -2.821 -7.778 -4.300 1.00 0.00 C ATOM 0 H PHE A 45 -0.004 -9.842 -0.059 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.780 -11.559 -2.244 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.030 -9.174 -1.890 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.147 -10.166 -3.330 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.255 -8.107 -1.343 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.374 -9.943 -5.069 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.149 -6.926 -2.374 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.256 -8.772 -6.102 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.654 -7.262 -4.754 1.00 0.00 H new ATOM 780 N MET A 46 1.948 -12.054 -0.603 1.00 0.00 N ATOM 781 CA MET A 46 3.097 -12.962 -0.467 1.00 0.00 C ATOM 782 C MET A 46 2.610 -14.342 -0.126 1.00 0.00 C ATOM 783 O MET A 46 3.117 -15.347 -0.645 1.00 0.00 O ATOM 784 CB MET A 46 4.035 -12.514 0.655 1.00 0.00 C ATOM 785 CG MET A 46 4.376 -11.051 0.638 1.00 0.00 C ATOM 786 SD MET A 46 5.595 -10.600 1.861 1.00 0.00 S ATOM 787 CE MET A 46 7.044 -11.185 1.050 1.00 0.00 C ATOM 0 H MET A 46 1.825 -11.404 0.174 1.00 0.00 H new ATOM 0 HA MET A 46 3.635 -12.953 -1.415 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.575 -12.755 1.613 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.958 -13.090 0.590 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.746 -10.782 -0.351 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.469 -10.471 0.807 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.897 -10.572 1.341 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.228 -12.221 1.335 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.906 -11.125 -0.030 1.00 0.00 H new ATOM 1151 N LEU B 6 9.348 14.776 -2.251 1.00 0.00 N ATOM 1152 CA LEU B 6 9.103 13.760 -1.259 1.00 0.00 C ATOM 1153 C LEU B 6 8.256 12.638 -1.860 1.00 0.00 C ATOM 1154 O LEU B 6 8.587 11.462 -1.728 1.00 0.00 O ATOM 1155 CB LEU B 6 8.463 14.421 -0.004 1.00 0.00 C ATOM 1156 CG LEU B 6 8.095 13.548 1.207 1.00 0.00 C ATOM 1157 CD1 LEU B 6 6.767 12.855 1.012 1.00 0.00 C ATOM 1158 CD2 LEU B 6 9.195 12.534 1.496 1.00 0.00 C ATOM 0 HA LEU B 6 10.035 13.296 -0.937 1.00 0.00 H new ATOM 0 HB2 LEU B 6 9.150 15.191 0.346 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.555 14.928 -0.329 1.00 0.00 H new ATOM 0 HG LEU B 6 7.998 14.208 2.069 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.541 12.248 1.889 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.984 13.601 0.876 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.816 12.216 0.130 1.00 0.00 H new ATOM 0 HD21 LEU B 6 8.914 11.927 2.357 1.00 0.00 H new ATOM 0 HD22 LEU B 6 9.333 11.890 0.628 1.00 0.00 H new ATOM 0 HD23 LEU B 6 10.126 13.058 1.711 1.00 0.00 H new ATOM 1170 N LYS B 7 7.205 13.010 -2.559 1.00 0.00 N ATOM 1171 CA LYS B 7 6.331 12.041 -3.189 1.00 0.00 C ATOM 1172 C LYS B 7 7.082 11.333 -4.339 1.00 0.00 C ATOM 1173 O LYS B 7 6.813 10.183 -4.651 1.00 0.00 O ATOM 1174 CB LYS B 7 5.060 12.747 -3.681 1.00 0.00 C ATOM 1175 CG LYS B 7 3.774 11.942 -3.504 1.00 0.00 C ATOM 1176 CD LYS B 7 3.656 10.753 -4.441 1.00 0.00 C ATOM 1177 CE LYS B 7 3.540 11.194 -5.889 1.00 0.00 C ATOM 1178 NZ LYS B 7 2.346 12.037 -6.131 1.00 0.00 N ATOM 0 H LYS B 7 6.933 13.982 -2.706 1.00 0.00 H new ATOM 0 HA LYS B 7 6.033 11.277 -2.471 1.00 0.00 H new ATOM 0 HB2 LYS B 7 4.957 13.693 -3.149 1.00 0.00 H new ATOM 0 HB3 LYS B 7 5.180 12.987 -4.737 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.718 11.587 -2.475 1.00 0.00 H new ATOM 0 HG3 LYS B 7 2.920 12.601 -3.661 1.00 0.00 H new ATOM 0 HD2 LYS B 7 4.528 10.109 -4.325 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.783 10.160 -4.169 1.00 0.00 H new ATOM 0 HE2 LYS B 7 4.435 11.749 -6.169 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.496 10.314 -6.531 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 2.168 12.101 -7.154 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 1.521 11.613 -5.662 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 2.510 12.990 -5.748 1.00 0.00 H new ATOM 1192 N ASN B 8 8.048 12.035 -4.927 1.00 0.00 N ATOM 1193 CA ASN B 8 8.922 11.473 -5.976 1.00 0.00 C ATOM 1194 C ASN B 8 9.747 10.327 -5.372 1.00 0.00 C ATOM 1195 O ASN B 8 9.887 9.249 -5.966 1.00 0.00 O ATOM 1196 CB ASN B 8 9.842 12.597 -6.526 1.00 0.00 C ATOM 1197 CG ASN B 8 10.809 12.207 -7.656 1.00 0.00 C ATOM 1198 OD1 ASN B 8 11.288 11.077 -7.763 1.00 0.00 O ATOM 1199 ND2 ASN B 8 11.110 13.164 -8.507 1.00 0.00 N ATOM 0 H ASN B 8 8.254 13.007 -4.697 1.00 0.00 H new ATOM 0 HA ASN B 8 8.330 11.079 -6.802 1.00 0.00 H new ATOM 0 HB2 ASN B 8 9.210 13.409 -6.885 1.00 0.00 H new ATOM 0 HB3 ASN B 8 10.429 12.992 -5.697 1.00 0.00 H new ATOM 0 HD21 ASN B 8 11.753 12.978 -9.277 1.00 0.00 H new ATOM 0 HD22 ASN B 8 10.700 14.092 -8.397 1.00 0.00 H new ATOM 1206 N LYS B 9 10.264 10.559 -4.172 1.00 0.00 N ATOM 1207 CA LYS B 9 11.016 9.545 -3.444 1.00 0.00 C ATOM 1208 C LYS B 9 10.107 8.378 -3.091 1.00 0.00 C ATOM 1209 O LYS B 9 10.510 7.218 -3.170 1.00 0.00 O ATOM 1210 CB LYS B 9 11.634 10.129 -2.171 1.00 0.00 C ATOM 1211 CG LYS B 9 12.638 11.235 -2.425 1.00 0.00 C ATOM 1212 CD LYS B 9 13.202 11.783 -1.126 1.00 0.00 C ATOM 1213 CE LYS B 9 14.213 12.892 -1.383 1.00 0.00 C ATOM 1214 NZ LYS B 9 15.370 12.422 -2.178 1.00 0.00 N ATOM 0 H LYS B 9 10.175 11.448 -3.679 1.00 0.00 H new ATOM 0 HA LYS B 9 11.824 9.192 -4.086 1.00 0.00 H new ATOM 0 HB2 LYS B 9 10.836 10.515 -1.536 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.123 9.328 -1.617 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.451 10.855 -3.044 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.161 12.040 -2.984 1.00 0.00 H new ATOM 0 HD2 LYS B 9 12.390 12.165 -0.508 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.677 10.978 -0.566 1.00 0.00 H new ATOM 0 HE2 LYS B 9 13.724 13.713 -1.907 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.566 13.287 -0.430 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 16.127 13.134 -2.143 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 15.720 11.525 -1.785 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 15.077 12.277 -3.165 1.00 0.00 H new ATOM 1228 N ILE B 10 8.883 8.706 -2.711 1.00 0.00 N ATOM 1229 CA ILE B 10 7.858 7.727 -2.389 1.00 0.00 C ATOM 1230 C ILE B 10 7.560 6.823 -3.572 1.00 0.00 C ATOM 1231 O ILE B 10 7.613 5.607 -3.431 1.00 0.00 O ATOM 1232 CB ILE B 10 6.572 8.416 -1.865 1.00 0.00 C ATOM 1233 CG1 ILE B 10 6.869 9.029 -0.501 1.00 0.00 C ATOM 1234 CG2 ILE B 10 5.383 7.457 -1.801 1.00 0.00 C ATOM 1235 CD1 ILE B 10 5.718 9.738 0.133 1.00 0.00 C ATOM 0 H ILE B 10 8.569 9.672 -2.616 1.00 0.00 H new ATOM 0 HA ILE B 10 8.245 7.096 -1.589 1.00 0.00 H new ATOM 0 HB ILE B 10 6.283 9.200 -2.565 1.00 0.00 H new ATOM 0 HG12 ILE B 10 7.205 8.239 0.171 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.696 9.731 -0.607 1.00 0.00 H new ATOM 0 HG21 ILE B 10 4.507 7.988 -1.428 1.00 0.00 H new ATOM 0 HG22 ILE B 10 5.175 7.069 -2.798 1.00 0.00 H new ATOM 0 HG23 ILE B 10 5.618 6.630 -1.131 1.00 0.00 H new ATOM 0 HD11 ILE B 10 6.025 10.140 1.098 1.00 0.00 H new ATOM 0 HD12 ILE B 10 5.393 10.554 -0.513 1.00 0.00 H new ATOM 0 HD13 ILE B 10 4.894 9.039 0.277 1.00 0.00 H new ATOM 1247 N GLU B 11 7.279 7.421 -4.734 1.00 0.00 N ATOM 1248 CA GLU B 11 7.035 6.667 -5.968 1.00 0.00 C ATOM 1249 C GLU B 11 8.185 5.732 -6.248 1.00 0.00 C ATOM 1250 O GLU B 11 7.981 4.541 -6.474 1.00 0.00 O ATOM 1251 CB GLU B 11 6.819 7.610 -7.156 1.00 0.00 C ATOM 1252 CG GLU B 11 5.538 8.424 -7.078 1.00 0.00 C ATOM 1253 CD GLU B 11 4.297 7.562 -7.118 1.00 0.00 C ATOM 1254 OE1 GLU B 11 3.833 7.097 -6.066 1.00 0.00 O ATOM 1255 OE2 GLU B 11 3.756 7.324 -8.219 1.00 0.00 O ATOM 0 H GLU B 11 7.215 8.433 -4.846 1.00 0.00 H new ATOM 0 HA GLU B 11 6.127 6.080 -5.830 1.00 0.00 H new ATOM 0 HB2 GLU B 11 7.667 8.292 -7.223 1.00 0.00 H new ATOM 0 HB3 GLU B 11 6.808 7.023 -8.074 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.540 9.009 -6.159 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.511 9.132 -7.906 1.00 0.00 H new ATOM 1262 N ASN B 12 9.389 6.256 -6.172 1.00 0.00 N ATOM 1263 CA ASN B 12 10.580 5.465 -6.401 1.00 0.00 C ATOM 1264 C ASN B 12 10.728 4.314 -5.395 1.00 0.00 C ATOM 1265 O ASN B 12 10.934 3.162 -5.801 1.00 0.00 O ATOM 1266 CB ASN B 12 11.849 6.334 -6.423 1.00 0.00 C ATOM 1267 CG ASN B 12 13.109 5.484 -6.456 1.00 0.00 C ATOM 1268 OD1 ASN B 12 13.567 5.067 -7.519 1.00 0.00 O ATOM 1269 ND2 ASN B 12 13.697 5.266 -5.307 1.00 0.00 N ATOM 0 H ASN B 12 9.570 7.235 -5.951 1.00 0.00 H new ATOM 0 HA ASN B 12 10.458 5.018 -7.388 1.00 0.00 H new ATOM 0 HB2 ASN B 12 11.828 6.988 -7.295 1.00 0.00 H new ATOM 0 HB3 ASN B 12 11.866 6.977 -5.543 1.00 0.00 H new ATOM 0 HD21 ASN B 12 14.566 4.734 -5.272 1.00 0.00 H new ATOM 0 HD22 ASN B 12 13.286 5.629 -4.447 1.00 0.00 H new ATOM 1276 N LYS B 13 10.594 4.616 -4.102 1.00 0.00 N ATOM 1277 CA LYS B 13 10.786 3.617 -3.050 1.00 0.00 C ATOM 1278 C LYS B 13 9.710 2.532 -3.155 1.00 0.00 C ATOM 1279 O LYS B 13 10.000 1.345 -3.006 1.00 0.00 O ATOM 1280 CB LYS B 13 10.733 4.264 -1.656 1.00 0.00 C ATOM 1281 CG LYS B 13 11.323 3.396 -0.534 1.00 0.00 C ATOM 1282 CD LYS B 13 12.815 3.655 -0.277 1.00 0.00 C ATOM 1283 CE LYS B 13 13.719 3.627 -1.495 1.00 0.00 C ATOM 1284 NZ LYS B 13 15.125 3.884 -1.099 1.00 0.00 N ATOM 0 H LYS B 13 10.353 5.546 -3.758 1.00 0.00 H new ATOM 0 HA LYS B 13 11.770 3.169 -3.185 1.00 0.00 H new ATOM 0 HB2 LYS B 13 11.271 5.212 -1.687 1.00 0.00 H new ATOM 0 HB3 LYS B 13 9.695 4.494 -1.414 1.00 0.00 H new ATOM 0 HG2 LYS B 13 10.767 3.579 0.386 1.00 0.00 H new ATOM 0 HG3 LYS B 13 11.183 2.345 -0.787 1.00 0.00 H new ATOM 0 HD2 LYS B 13 12.916 4.629 0.202 1.00 0.00 H new ATOM 0 HD3 LYS B 13 13.175 2.911 0.434 1.00 0.00 H new ATOM 0 HE2 LYS B 13 13.645 2.658 -1.989 1.00 0.00 H new ATOM 0 HE3 LYS B 13 13.394 4.378 -2.215 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 15.765 3.508 -1.827 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 15.276 4.908 -1.001 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 15.321 3.417 -0.191 1.00 0.00 H new ATOM 1298 N LYS B 14 8.486 2.973 -3.423 1.00 0.00 N ATOM 1299 CA LYS B 14 7.328 2.128 -3.647 1.00 0.00 C ATOM 1300 C LYS B 14 7.652 1.122 -4.738 1.00 0.00 C ATOM 1301 O LYS B 14 7.544 -0.075 -4.536 1.00 0.00 O ATOM 1302 CB LYS B 14 6.158 3.024 -4.101 1.00 0.00 C ATOM 1303 CG LYS B 14 4.818 2.338 -4.281 1.00 0.00 C ATOM 1304 CD LYS B 14 3.755 3.302 -4.819 1.00 0.00 C ATOM 1305 CE LYS B 14 3.990 3.642 -6.278 1.00 0.00 C ATOM 1306 NZ LYS B 14 3.051 4.676 -6.782 1.00 0.00 N ATOM 0 H LYS B 14 8.269 3.967 -3.492 1.00 0.00 H new ATOM 0 HA LYS B 14 7.059 1.595 -2.735 1.00 0.00 H new ATOM 0 HB2 LYS B 14 6.037 3.825 -3.372 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.432 3.492 -5.046 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.928 1.498 -4.967 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.488 1.928 -3.326 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.768 2.855 -4.704 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.761 4.217 -4.227 1.00 0.00 H new ATOM 0 HE2 LYS B 14 5.014 3.994 -6.405 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.886 2.739 -6.879 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 3.243 4.859 -7.788 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 2.073 4.340 -6.672 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 3.178 5.554 -6.240 1.00 0.00 H new ATOM 1320 N LYS B 15 8.113 1.630 -5.873 1.00 0.00 N ATOM 1321 CA LYS B 15 8.461 0.805 -7.020 1.00 0.00 C ATOM 1322 C LYS B 15 9.606 -0.138 -6.694 1.00 0.00 C ATOM 1323 O LYS B 15 9.604 -1.283 -7.128 1.00 0.00 O ATOM 1324 CB LYS B 15 8.789 1.677 -8.229 1.00 0.00 C ATOM 1325 CG LYS B 15 7.605 2.511 -8.695 1.00 0.00 C ATOM 1326 CD LYS B 15 7.989 3.525 -9.760 1.00 0.00 C ATOM 1327 CE LYS B 15 8.434 2.869 -11.074 1.00 0.00 C ATOM 1328 NZ LYS B 15 7.352 2.091 -11.723 1.00 0.00 N ATOM 0 H LYS B 15 8.256 2.629 -6.024 1.00 0.00 H new ATOM 0 HA LYS B 15 7.596 0.191 -7.270 1.00 0.00 H new ATOM 0 HB2 LYS B 15 9.618 2.339 -7.979 1.00 0.00 H new ATOM 0 HB3 LYS B 15 9.125 1.042 -9.049 1.00 0.00 H new ATOM 0 HG2 LYS B 15 6.832 1.851 -9.089 1.00 0.00 H new ATOM 0 HG3 LYS B 15 7.174 3.032 -7.841 1.00 0.00 H new ATOM 0 HD2 LYS B 15 7.139 4.179 -9.955 1.00 0.00 H new ATOM 0 HD3 LYS B 15 8.795 4.154 -9.382 1.00 0.00 H new ATOM 0 HE2 LYS B 15 8.782 3.641 -11.760 1.00 0.00 H new ATOM 0 HE3 LYS B 15 9.281 2.211 -10.878 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 7.657 1.799 -12.673 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 7.141 1.248 -11.152 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 6.498 2.680 -11.799 1.00 0.00 H new ATOM 1342 N GLU B 16 10.574 0.336 -5.916 1.00 0.00 N ATOM 1343 CA GLU B 16 11.682 -0.505 -5.474 1.00 0.00 C ATOM 1344 C GLU B 16 11.175 -1.666 -4.643 1.00 0.00 C ATOM 1345 O GLU B 16 11.631 -2.792 -4.794 1.00 0.00 O ATOM 1346 CB GLU B 16 12.711 0.276 -4.676 1.00 0.00 C ATOM 1347 CG GLU B 16 13.558 1.240 -5.480 1.00 0.00 C ATOM 1348 CD GLU B 16 14.685 1.769 -4.642 1.00 0.00 C ATOM 1349 OE1 GLU B 16 15.251 0.976 -3.860 1.00 0.00 O ATOM 1350 OE2 GLU B 16 15.042 2.954 -4.749 1.00 0.00 O ATOM 0 H GLU B 16 10.614 1.298 -5.578 1.00 0.00 H new ATOM 0 HA GLU B 16 12.167 -0.883 -6.374 1.00 0.00 H new ATOM 0 HB2 GLU B 16 12.194 0.836 -3.897 1.00 0.00 H new ATOM 0 HB3 GLU B 16 13.372 -0.432 -4.175 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.956 0.737 -6.361 1.00 0.00 H new ATOM 0 HG3 GLU B 16 12.942 2.066 -5.836 1.00 0.00 H new ATOM 1357 N LEU B 17 10.218 -1.384 -3.787 1.00 0.00 N ATOM 1358 CA LEU B 17 9.624 -2.390 -2.959 1.00 0.00 C ATOM 1359 C LEU B 17 8.839 -3.370 -3.794 1.00 0.00 C ATOM 1360 O LEU B 17 8.968 -4.579 -3.601 1.00 0.00 O ATOM 1361 CB LEU B 17 8.782 -1.738 -1.819 1.00 0.00 C ATOM 1362 CG LEU B 17 7.736 -2.599 -1.061 1.00 0.00 C ATOM 1363 CD1 LEU B 17 6.459 -2.756 -1.838 1.00 0.00 C ATOM 1364 CD2 LEU B 17 8.302 -3.941 -0.611 1.00 0.00 C ATOM 0 H LEU B 17 9.835 -0.448 -3.651 1.00 0.00 H new ATOM 0 HA LEU B 17 10.411 -2.964 -2.470 1.00 0.00 H new ATOM 0 HB2 LEU B 17 9.480 -1.344 -1.080 1.00 0.00 H new ATOM 0 HB3 LEU B 17 8.256 -0.885 -2.247 1.00 0.00 H new ATOM 0 HG LEU B 17 7.486 -2.049 -0.154 1.00 0.00 H new ATOM 0 HD11 LEU B 17 5.759 -3.366 -1.267 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.021 -1.775 -2.020 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.670 -3.242 -2.791 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.530 -4.504 -0.086 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.634 -4.506 -1.482 1.00 0.00 H new ATOM 0 HD23 LEU B 17 9.147 -3.774 0.057 1.00 0.00 H new ATOM 1376 N ILE B 18 8.046 -2.857 -4.723 1.00 0.00 N ATOM 1377 CA ILE B 18 7.221 -3.703 -5.561 1.00 0.00 C ATOM 1378 C ILE B 18 8.096 -4.705 -6.297 1.00 0.00 C ATOM 1379 O ILE B 18 7.787 -5.869 -6.339 1.00 0.00 O ATOM 1380 CB ILE B 18 6.375 -2.903 -6.577 1.00 0.00 C ATOM 1381 CG1 ILE B 18 5.504 -1.881 -5.849 1.00 0.00 C ATOM 1382 CG2 ILE B 18 5.482 -3.874 -7.348 1.00 0.00 C ATOM 1383 CD1 ILE B 18 4.869 -0.853 -6.755 1.00 0.00 C ATOM 0 H ILE B 18 7.959 -1.859 -4.913 1.00 0.00 H new ATOM 0 HA ILE B 18 6.523 -4.220 -4.903 1.00 0.00 H new ATOM 0 HB ILE B 18 7.037 -2.375 -7.263 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.718 -2.409 -5.310 1.00 0.00 H new ATOM 0 HG13 ILE B 18 6.112 -1.367 -5.104 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.880 -3.321 -8.069 1.00 0.00 H new ATOM 0 HG22 ILE B 18 6.103 -4.599 -7.875 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.826 -4.396 -6.652 1.00 0.00 H new ATOM 0 HD11 ILE B 18 4.268 -0.166 -6.160 1.00 0.00 H new ATOM 0 HD12 ILE B 18 5.648 -0.296 -7.276 1.00 0.00 H new ATOM 0 HD13 ILE B 18 4.232 -1.354 -7.484 1.00 0.00 H new ATOM 1395 N GLN B 19 9.233 -4.235 -6.804 1.00 0.00 N ATOM 1396 CA GLN B 19 10.205 -5.083 -7.497 1.00 0.00 C ATOM 1397 C GLN B 19 10.722 -6.208 -6.588 1.00 0.00 C ATOM 1398 O GLN B 19 11.025 -7.312 -7.056 1.00 0.00 O ATOM 1399 CB GLN B 19 11.373 -4.236 -8.000 1.00 0.00 C ATOM 1400 CG GLN B 19 10.989 -3.241 -9.079 1.00 0.00 C ATOM 1401 CD GLN B 19 12.099 -2.263 -9.404 1.00 0.00 C ATOM 1402 OE1 GLN B 19 12.110 -1.165 -8.714 1.00 0.00 O flip ATOM 1403 NE2 GLN B 19 12.936 -2.491 -10.279 1.00 0.00 N flip ATOM 0 H GLN B 19 9.509 -3.255 -6.747 1.00 0.00 H new ATOM 0 HA GLN B 19 9.701 -5.545 -8.346 1.00 0.00 H new ATOM 0 HB2 GLN B 19 11.806 -3.696 -7.158 1.00 0.00 H new ATOM 0 HB3 GLN B 19 12.148 -4.897 -8.388 1.00 0.00 H new ATOM 0 HG2 GLN B 19 10.713 -3.783 -9.984 1.00 0.00 H new ATOM 0 HG3 GLN B 19 10.107 -2.687 -8.758 1.00 0.00 H new ATOM 0 HE21 GLN B 19 12.900 -3.365 -10.804 1.00 0.00 H new ATOM 0 HE22 GLN B 19 13.665 -1.806 -10.478 1.00 0.00 H new ATOM 1412 N LEU B 20 10.802 -5.932 -5.300 1.00 0.00 N ATOM 1413 CA LEU B 20 11.275 -6.901 -4.324 1.00 0.00 C ATOM 1414 C LEU B 20 10.179 -7.900 -3.978 1.00 0.00 C ATOM 1415 O LEU B 20 10.401 -9.109 -4.033 1.00 0.00 O ATOM 1416 CB LEU B 20 11.785 -6.205 -3.060 1.00 0.00 C ATOM 1417 CG LEU B 20 12.960 -5.240 -3.247 1.00 0.00 C ATOM 1418 CD1 LEU B 20 13.296 -4.560 -1.937 1.00 0.00 C ATOM 1419 CD2 LEU B 20 14.180 -5.970 -3.795 1.00 0.00 C ATOM 0 H LEU B 20 10.542 -5.031 -4.899 1.00 0.00 H new ATOM 0 HA LEU B 20 12.107 -7.445 -4.771 1.00 0.00 H new ATOM 0 HB2 LEU B 20 10.957 -5.654 -2.614 1.00 0.00 H new ATOM 0 HB3 LEU B 20 12.081 -6.971 -2.343 1.00 0.00 H new ATOM 0 HG LEU B 20 12.665 -4.480 -3.970 1.00 0.00 H new ATOM 0 HD11 LEU B 20 14.133 -3.877 -2.086 1.00 0.00 H new ATOM 0 HD12 LEU B 20 12.429 -4.001 -1.585 1.00 0.00 H new ATOM 0 HD13 LEU B 20 13.568 -5.312 -1.196 1.00 0.00 H new ATOM 0 HD21 LEU B 20 15.001 -5.264 -3.919 1.00 0.00 H new ATOM 0 HD22 LEU B 20 14.478 -6.754 -3.099 1.00 0.00 H new ATOM 0 HD23 LEU B 20 13.935 -6.415 -4.759 1.00 0.00 H new ATOM 1431 N VAL B 21 8.995 -7.415 -3.635 1.00 0.00 N ATOM 1432 CA VAL B 21 7.898 -8.318 -3.332 1.00 0.00 C ATOM 1433 C VAL B 21 7.425 -9.106 -4.591 1.00 0.00 C ATOM 1434 O VAL B 21 6.965 -10.249 -4.493 1.00 0.00 O ATOM 1435 CB VAL B 21 6.738 -7.594 -2.575 1.00 0.00 C ATOM 1436 CG1 VAL B 21 6.222 -6.390 -3.303 1.00 0.00 C ATOM 1437 CG2 VAL B 21 5.621 -8.539 -2.174 1.00 0.00 C ATOM 0 H VAL B 21 8.773 -6.422 -3.561 1.00 0.00 H new ATOM 0 HA VAL B 21 8.276 -9.071 -2.640 1.00 0.00 H new ATOM 0 HB VAL B 21 7.181 -7.224 -1.651 1.00 0.00 H new ATOM 0 HG11 VAL B 21 5.419 -5.932 -2.726 1.00 0.00 H new ATOM 0 HG12 VAL B 21 7.030 -5.670 -3.434 1.00 0.00 H new ATOM 0 HG13 VAL B 21 5.842 -6.690 -4.279 1.00 0.00 H new ATOM 0 HG21 VAL B 21 4.843 -7.982 -1.652 1.00 0.00 H new ATOM 0 HG22 VAL B 21 5.199 -9.003 -3.066 1.00 0.00 H new ATOM 0 HG23 VAL B 21 6.017 -9.312 -1.516 1.00 0.00 H new ATOM 1447 N ALA B 22 7.607 -8.511 -5.762 1.00 0.00 N ATOM 1448 CA ALA B 22 7.300 -9.167 -7.030 1.00 0.00 C ATOM 1449 C ALA B 22 8.206 -10.378 -7.257 1.00 0.00 C ATOM 1450 O ALA B 22 7.734 -11.476 -7.566 1.00 0.00 O ATOM 1451 CB ALA B 22 7.419 -8.193 -8.196 1.00 0.00 C ATOM 0 H ALA B 22 7.970 -7.563 -5.862 1.00 0.00 H new ATOM 0 HA ALA B 22 6.268 -9.514 -6.977 1.00 0.00 H new ATOM 0 HB1 ALA B 22 7.185 -8.709 -9.127 1.00 0.00 H new ATOM 0 HB2 ALA B 22 6.721 -7.368 -8.053 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.436 -7.804 -8.243 1.00 0.00 H new ATOM 1457 N ARG B 23 9.508 -10.196 -7.024 1.00 0.00 N ATOM 1458 CA ARG B 23 10.490 -11.263 -7.260 1.00 0.00 C ATOM 1459 C ARG B 23 10.407 -12.349 -6.189 1.00 0.00 C ATOM 1460 O ARG B 23 11.013 -13.419 -6.329 1.00 0.00 O ATOM 1461 CB ARG B 23 11.916 -10.697 -7.351 1.00 0.00 C ATOM 1462 CG ARG B 23 12.457 -10.123 -6.051 1.00 0.00 C ATOM 1463 CD ARG B 23 13.769 -9.400 -6.261 1.00 0.00 C ATOM 1464 NE ARG B 23 13.617 -8.288 -7.199 1.00 0.00 N ATOM 1465 CZ ARG B 23 14.615 -7.588 -7.734 1.00 0.00 C ATOM 1466 NH1 ARG B 23 15.866 -7.792 -7.336 1.00 0.00 N ATOM 1467 NH2 ARG B 23 14.361 -6.663 -8.644 1.00 0.00 N ATOM 0 H ARG B 23 9.908 -9.325 -6.674 1.00 0.00 H new ATOM 0 HA ARG B 23 10.245 -11.721 -8.218 1.00 0.00 H new ATOM 0 HB2 ARG B 23 12.585 -11.488 -7.689 1.00 0.00 H new ATOM 0 HB3 ARG B 23 11.935 -9.917 -8.112 1.00 0.00 H new ATOM 0 HG2 ARG B 23 11.727 -9.435 -5.625 1.00 0.00 H new ATOM 0 HG3 ARG B 23 12.596 -10.927 -5.328 1.00 0.00 H new ATOM 0 HD2 ARG B 23 14.138 -9.026 -5.306 1.00 0.00 H new ATOM 0 HD3 ARG B 23 14.515 -10.098 -6.639 1.00 0.00 H new ATOM 0 HE ARG B 23 12.668 -8.027 -7.465 1.00 0.00 H new ATOM 0 HH11 ARG B 23 16.065 -8.488 -6.617 1.00 0.00 H new ATOM 0 HH12 ARG B 23 16.627 -7.253 -7.749 1.00 0.00 H new ATOM 0 HH21 ARG B 23 13.400 -6.485 -8.936 1.00 0.00 H new ATOM 0 HH22 ARG B 23 15.126 -6.127 -9.054 1.00 0.00 H new ATOM 1481 N HIS B 24 9.668 -12.060 -5.121 1.00 0.00 N ATOM 1482 CA HIS B 24 9.430 -13.018 -4.054 1.00 0.00 C ATOM 1483 C HIS B 24 8.597 -14.186 -4.587 1.00 0.00 C ATOM 1484 O HIS B 24 8.776 -15.335 -4.177 1.00 0.00 O ATOM 1485 CB HIS B 24 8.716 -12.331 -2.852 1.00 0.00 C ATOM 1486 CG HIS B 24 8.415 -13.244 -1.672 1.00 0.00 C ATOM 1487 ND1 HIS B 24 9.212 -13.362 -0.551 1.00 0.00 N ATOM 1488 CD2 HIS B 24 7.376 -14.073 -1.462 1.00 0.00 C ATOM 1489 CE1 HIS B 24 8.642 -14.240 0.275 1.00 0.00 C ATOM 1490 NE2 HIS B 24 7.522 -14.701 -0.228 1.00 0.00 N ATOM 0 H HIS B 24 9.220 -11.156 -4.974 1.00 0.00 H new ATOM 0 HA HIS B 24 10.387 -13.402 -3.700 1.00 0.00 H new ATOM 0 HB2 HIS B 24 9.337 -11.506 -2.504 1.00 0.00 H new ATOM 0 HB3 HIS B 24 7.780 -11.898 -3.205 1.00 0.00 H new ATOM 0 HD2 HIS B 24 6.555 -14.228 -2.146 1.00 0.00 H new ATOM 0 HE1 HIS B 24 9.049 -14.533 1.232 1.00 0.00 H new ATOM 0 HE2 HIS B 24 6.889 -15.379 0.197 1.00 0.00 H new ATOM 1498 N GLY B 25 7.716 -13.898 -5.520 1.00 0.00 N ATOM 1499 CA GLY B 25 6.886 -14.940 -6.050 1.00 0.00 C ATOM 1500 C GLY B 25 5.658 -14.414 -6.721 1.00 0.00 C ATOM 1501 O GLY B 25 4.997 -15.144 -7.469 1.00 0.00 O ATOM 0 H GLY B 25 7.562 -12.971 -5.916 1.00 0.00 H new ATOM 0 HA2 GLY B 25 7.461 -15.529 -6.764 1.00 0.00 H new ATOM 0 HA3 GLY B 25 6.595 -15.613 -5.243 1.00 0.00 H new ATOM 1505 N LEU B 26 5.301 -13.170 -6.412 1.00 0.00 N ATOM 1506 CA LEU B 26 4.189 -12.502 -7.013 1.00 0.00 C ATOM 1507 C LEU B 26 4.192 -12.568 -8.512 1.00 0.00 C ATOM 1508 O LEU B 26 5.153 -12.179 -9.180 1.00 0.00 O ATOM 1509 CB LEU B 26 4.136 -11.067 -6.557 1.00 0.00 C ATOM 1510 CG LEU B 26 3.350 -10.794 -5.293 1.00 0.00 C ATOM 1511 CD1 LEU B 26 3.879 -11.543 -4.103 1.00 0.00 C ATOM 1512 CD2 LEU B 26 3.222 -9.309 -5.037 1.00 0.00 C ATOM 0 H LEU B 26 5.796 -12.603 -5.723 1.00 0.00 H new ATOM 0 HA LEU B 26 3.296 -13.031 -6.682 1.00 0.00 H new ATOM 0 HB2 LEU B 26 5.158 -10.718 -6.407 1.00 0.00 H new ATOM 0 HB3 LEU B 26 3.709 -10.468 -7.361 1.00 0.00 H new ATOM 0 HG LEU B 26 2.344 -11.181 -5.454 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.275 -11.307 -3.227 1.00 0.00 H new ATOM 0 HD12 LEU B 26 3.833 -12.614 -4.298 1.00 0.00 H new ATOM 0 HD13 LEU B 26 4.913 -11.252 -3.920 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.652 -9.145 -4.122 1.00 0.00 H new ATOM 0 HD22 LEU B 26 4.215 -8.871 -4.930 1.00 0.00 H new ATOM 0 HD23 LEU B 26 2.707 -8.839 -5.874 1.00 0.00 H new ATOM 1524 N ASP B 27 3.110 -13.066 -9.016 1.00 0.00 N ATOM 1525 CA ASP B 27 2.879 -13.188 -10.444 1.00 0.00 C ATOM 1526 C ASP B 27 2.593 -11.806 -10.993 1.00 0.00 C ATOM 1527 O ASP B 27 2.346 -10.887 -10.221 1.00 0.00 O ATOM 1528 CB ASP B 27 1.668 -14.086 -10.680 1.00 0.00 C ATOM 1529 CG ASP B 27 1.477 -14.478 -12.116 1.00 0.00 C ATOM 1530 OD1 ASP B 27 2.041 -15.507 -12.534 1.00 0.00 O ATOM 1531 OD2 ASP B 27 0.753 -13.781 -12.854 1.00 0.00 O ATOM 0 H ASP B 27 2.337 -13.411 -8.446 1.00 0.00 H new ATOM 0 HA ASP B 27 3.750 -13.620 -10.937 1.00 0.00 H new ATOM 0 HB2 ASP B 27 1.773 -14.988 -10.077 1.00 0.00 H new ATOM 0 HB3 ASP B 27 0.772 -13.572 -10.331 1.00 0.00 H new ATOM 1536 N HIS B 28 2.581 -11.655 -12.296 1.00 0.00 N ATOM 1537 CA HIS B 28 2.303 -10.373 -12.913 1.00 0.00 C ATOM 1538 C HIS B 28 0.953 -9.820 -12.490 1.00 0.00 C ATOM 1539 O HIS B 28 0.826 -8.617 -12.306 1.00 0.00 O ATOM 1540 CB HIS B 28 2.422 -10.423 -14.442 1.00 0.00 C ATOM 1541 CG HIS B 28 3.837 -10.517 -14.937 1.00 0.00 C ATOM 1542 ND1 HIS B 28 4.458 -11.689 -15.305 1.00 0.00 N ATOM 1543 CD2 HIS B 28 4.756 -9.535 -15.123 1.00 0.00 C ATOM 1544 CE1 HIS B 28 5.701 -11.397 -15.687 1.00 0.00 C ATOM 1545 NE2 HIS B 28 5.937 -10.098 -15.600 1.00 0.00 N ATOM 0 H HIS B 28 2.762 -12.410 -12.958 1.00 0.00 H new ATOM 0 HA HIS B 28 3.070 -9.688 -12.551 1.00 0.00 H new ATOM 0 HB2 HIS B 28 1.859 -11.280 -14.813 1.00 0.00 H new ATOM 0 HB3 HIS B 28 1.958 -9.531 -14.863 1.00 0.00 H new ATOM 0 HD2 HIS B 28 4.596 -8.484 -14.931 1.00 0.00 H new ATOM 0 HE1 HIS B 28 6.423 -12.127 -16.024 1.00 0.00 H new ATOM 0 HE2 HIS B 28 6.802 -9.611 -15.833 1.00 0.00 H new ATOM 1553 N ASP B 29 -0.037 -10.700 -12.239 1.00 0.00 N ATOM 1554 CA ASP B 29 -1.365 -10.221 -11.835 1.00 0.00 C ATOM 1555 C ASP B 29 -1.268 -9.622 -10.448 1.00 0.00 C ATOM 1556 O ASP B 29 -1.877 -8.594 -10.147 1.00 0.00 O ATOM 1557 CB ASP B 29 -2.443 -11.343 -11.854 1.00 0.00 C ATOM 1558 CG ASP B 29 -2.457 -12.247 -10.607 1.00 0.00 C ATOM 1559 OD1 ASP B 29 -1.720 -13.260 -10.563 1.00 0.00 O ATOM 1560 OD2 ASP B 29 -3.198 -11.949 -9.652 1.00 0.00 O ATOM 0 H ASP B 29 0.056 -11.714 -12.307 1.00 0.00 H new ATOM 0 HA ASP B 29 -1.682 -9.471 -12.559 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -3.425 -10.882 -11.962 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -2.284 -11.965 -12.735 1.00 0.00 H new ATOM 1565 N LYS B 30 -0.431 -10.238 -9.649 1.00 0.00 N ATOM 1566 CA LYS B 30 -0.190 -9.847 -8.294 1.00 0.00 C ATOM 1567 C LYS B 30 0.496 -8.511 -8.260 1.00 0.00 C ATOM 1568 O LYS B 30 0.106 -7.646 -7.515 1.00 0.00 O ATOM 1569 CB LYS B 30 0.675 -10.895 -7.619 1.00 0.00 C ATOM 1570 CG LYS B 30 0.009 -12.242 -7.479 1.00 0.00 C ATOM 1571 CD LYS B 30 -0.957 -12.271 -6.318 1.00 0.00 C ATOM 1572 CE LYS B 30 -1.852 -13.494 -6.368 1.00 0.00 C ATOM 1573 NZ LYS B 30 -2.793 -13.479 -7.523 1.00 0.00 N ATOM 0 H LYS B 30 0.115 -11.049 -9.939 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.139 -9.764 -7.764 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.596 -11.014 -8.190 1.00 0.00 H new ATOM 0 HB3 LYS B 30 0.957 -10.536 -6.629 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.522 -12.483 -8.400 1.00 0.00 H new ATOM 0 HG3 LYS B 30 0.769 -13.011 -7.339 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -0.401 -12.264 -5.381 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -1.570 -11.370 -6.331 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -1.232 -14.389 -6.423 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -2.423 -13.558 -5.442 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -3.768 -13.385 -7.175 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -2.568 -12.676 -8.144 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -2.701 -14.366 -8.058 1.00 0.00 H new ATOM 1587 N VAL B 31 1.495 -8.348 -9.114 1.00 0.00 N ATOM 1588 CA VAL B 31 2.266 -7.112 -9.181 1.00 0.00 C ATOM 1589 C VAL B 31 1.361 -5.953 -9.586 1.00 0.00 C ATOM 1590 O VAL B 31 1.451 -4.860 -9.024 1.00 0.00 O ATOM 1591 CB VAL B 31 3.458 -7.227 -10.173 1.00 0.00 C ATOM 1592 CG1 VAL B 31 4.351 -6.000 -10.128 1.00 0.00 C ATOM 1593 CG2 VAL B 31 4.252 -8.483 -9.903 1.00 0.00 C ATOM 0 H VAL B 31 1.794 -9.063 -9.777 1.00 0.00 H new ATOM 0 HA VAL B 31 2.677 -6.925 -8.189 1.00 0.00 H new ATOM 0 HB VAL B 31 3.045 -7.287 -11.180 1.00 0.00 H new ATOM 0 HG11 VAL B 31 5.171 -6.121 -10.836 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.770 -5.117 -10.394 1.00 0.00 H new ATOM 0 HG13 VAL B 31 4.754 -5.880 -9.122 1.00 0.00 H new ATOM 0 HG21 VAL B 31 5.082 -8.547 -10.607 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.640 -8.456 -8.885 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.607 -9.354 -10.022 1.00 0.00 H new ATOM 1603 N LEU B 32 0.469 -6.211 -10.534 1.00 0.00 N ATOM 1604 CA LEU B 32 -0.487 -5.212 -10.986 1.00 0.00 C ATOM 1605 C LEU B 32 -1.395 -4.806 -9.851 1.00 0.00 C ATOM 1606 O LEU B 32 -1.428 -3.649 -9.469 1.00 0.00 O ATOM 1607 CB LEU B 32 -1.318 -5.729 -12.163 1.00 0.00 C ATOM 1608 CG LEU B 32 -0.537 -6.186 -13.397 1.00 0.00 C ATOM 1609 CD1 LEU B 32 -1.480 -6.565 -14.514 1.00 0.00 C ATOM 1610 CD2 LEU B 32 0.452 -5.127 -13.850 1.00 0.00 C ATOM 0 H LEU B 32 0.389 -7.111 -11.007 1.00 0.00 H new ATOM 0 HA LEU B 32 0.075 -4.341 -11.325 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.924 -6.565 -11.813 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -2.007 -4.941 -12.467 1.00 0.00 H new ATOM 0 HG LEU B 32 0.037 -7.071 -13.122 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.905 -6.887 -15.382 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.126 -7.379 -14.184 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -2.091 -5.703 -14.783 1.00 0.00 H new ATOM 0 HD21 LEU B 32 0.990 -5.484 -14.728 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.084 -4.211 -14.100 1.00 0.00 H new ATOM 0 HD23 LEU B 32 1.161 -4.925 -13.048 1.00 0.00 H new ATOM 1622 N LEU B 33 -2.069 -5.774 -9.275 1.00 0.00 N ATOM 1623 CA LEU B 33 -3.016 -5.533 -8.195 1.00 0.00 C ATOM 1624 C LEU B 33 -2.353 -4.890 -6.989 1.00 0.00 C ATOM 1625 O LEU B 33 -2.884 -3.938 -6.413 1.00 0.00 O ATOM 1626 CB LEU B 33 -3.699 -6.833 -7.810 1.00 0.00 C ATOM 1627 CG LEU B 33 -4.550 -7.463 -8.902 1.00 0.00 C ATOM 1628 CD1 LEU B 33 -5.061 -8.821 -8.475 1.00 0.00 C ATOM 1629 CD2 LEU B 33 -5.704 -6.545 -9.269 1.00 0.00 C ATOM 0 H LEU B 33 -1.981 -6.756 -9.538 1.00 0.00 H new ATOM 0 HA LEU B 33 -3.766 -4.828 -8.555 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -2.936 -7.550 -7.506 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.329 -6.650 -6.940 1.00 0.00 H new ATOM 0 HG LEU B 33 -3.925 -7.603 -9.784 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -5.666 -9.250 -9.274 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -4.217 -9.478 -8.267 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.668 -8.715 -7.576 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.304 -7.010 -10.052 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -6.325 -6.372 -8.390 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.312 -5.594 -9.629 1.00 0.00 H new ATOM 1641 N PHE B 34 -1.180 -5.380 -6.650 1.00 0.00 N ATOM 1642 CA PHE B 34 -0.432 -4.874 -5.532 1.00 0.00 C ATOM 1643 C PHE B 34 -0.026 -3.425 -5.750 1.00 0.00 C ATOM 1644 O PHE B 34 -0.266 -2.596 -4.895 1.00 0.00 O ATOM 1645 CB PHE B 34 0.795 -5.752 -5.258 1.00 0.00 C ATOM 1646 CG PHE B 34 1.642 -5.266 -4.135 1.00 0.00 C ATOM 1647 CD1 PHE B 34 1.255 -5.466 -2.823 1.00 0.00 C ATOM 1648 CD2 PHE B 34 2.823 -4.596 -4.391 1.00 0.00 C ATOM 1649 CE1 PHE B 34 2.032 -5.003 -1.792 1.00 0.00 C ATOM 1650 CE2 PHE B 34 3.598 -4.131 -3.365 1.00 0.00 C ATOM 1651 CZ PHE B 34 3.207 -4.334 -2.067 1.00 0.00 C ATOM 0 H PHE B 34 -0.721 -6.143 -7.147 1.00 0.00 H new ATOM 0 HA PHE B 34 -1.078 -4.907 -4.655 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.462 -6.766 -5.038 1.00 0.00 H new ATOM 0 HB3 PHE B 34 1.402 -5.805 -6.162 1.00 0.00 H new ATOM 0 HD1 PHE B 34 0.335 -5.990 -2.609 1.00 0.00 H new ATOM 0 HD2 PHE B 34 3.137 -4.438 -5.412 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.725 -5.161 -0.769 1.00 0.00 H new ATOM 0 HE2 PHE B 34 4.517 -3.605 -3.577 1.00 0.00 H new ATOM 0 HZ PHE B 34 3.821 -3.969 -1.257 1.00 0.00 H new ATOM 1661 N SER B 35 0.553 -3.114 -6.908 1.00 0.00 N ATOM 1662 CA SER B 35 1.016 -1.758 -7.173 1.00 0.00 C ATOM 1663 C SER B 35 -0.145 -0.756 -7.157 1.00 0.00 C ATOM 1664 O SER B 35 -0.005 0.364 -6.660 1.00 0.00 O ATOM 1665 CB SER B 35 1.816 -1.694 -8.486 1.00 0.00 C ATOM 1666 OG SER B 35 1.089 -2.241 -9.567 1.00 0.00 O ATOM 0 H SER B 35 0.710 -3.775 -7.668 1.00 0.00 H new ATOM 0 HA SER B 35 1.692 -1.471 -6.368 1.00 0.00 H new ATOM 0 HB2 SER B 35 2.072 -0.658 -8.706 1.00 0.00 H new ATOM 0 HB3 SER B 35 2.755 -2.235 -8.367 1.00 0.00 H new ATOM 0 HG SER B 35 1.080 -3.218 -9.494 1.00 0.00 H new ATOM 1672 N ARG B 36 -1.293 -1.196 -7.656 1.00 0.00 N ATOM 1673 CA ARG B 36 -2.509 -0.389 -7.675 1.00 0.00 C ATOM 1674 C ARG B 36 -2.964 -0.074 -6.265 1.00 0.00 C ATOM 1675 O ARG B 36 -3.167 1.093 -5.913 1.00 0.00 O ATOM 1676 CB ARG B 36 -3.628 -1.146 -8.364 1.00 0.00 C ATOM 1677 CG ARG B 36 -3.392 -1.432 -9.817 1.00 0.00 C ATOM 1678 CD ARG B 36 -4.406 -2.415 -10.360 1.00 0.00 C ATOM 1679 NE ARG B 36 -4.181 -2.697 -11.772 1.00 0.00 N ATOM 1680 CZ ARG B 36 -4.928 -3.495 -12.530 1.00 0.00 C ATOM 1681 NH1 ARG B 36 -6.009 -4.084 -12.029 1.00 0.00 N ATOM 1682 NH2 ARG B 36 -4.599 -3.697 -13.789 1.00 0.00 N ATOM 0 H ARG B 36 -1.409 -2.125 -8.060 1.00 0.00 H new ATOM 0 HA ARG B 36 -2.285 0.534 -8.210 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -3.783 -2.091 -7.843 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -4.550 -0.573 -8.266 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -3.444 -0.503 -10.385 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -2.387 -1.832 -9.952 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -4.354 -3.343 -9.791 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -5.410 -2.014 -10.225 1.00 0.00 H new ATOM 0 HE ARG B 36 -3.383 -2.244 -12.217 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -6.271 -3.926 -11.056 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -6.576 -4.694 -12.617 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -3.774 -3.242 -14.180 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -5.169 -4.308 -14.373 1.00 0.00 H new ATOM 1696 N ASP B 37 -3.094 -1.111 -5.455 1.00 0.00 N ATOM 1697 CA ASP B 37 -3.643 -0.964 -4.112 1.00 0.00 C ATOM 1698 C ASP B 37 -2.644 -0.304 -3.181 1.00 0.00 C ATOM 1699 O ASP B 37 -3.018 0.452 -2.293 1.00 0.00 O ATOM 1700 CB ASP B 37 -4.121 -2.303 -3.569 1.00 0.00 C ATOM 1701 CG ASP B 37 -5.033 -2.148 -2.365 1.00 0.00 C ATOM 1702 OD1 ASP B 37 -6.056 -1.434 -2.472 1.00 0.00 O ATOM 1703 OD2 ASP B 37 -4.809 -2.799 -1.333 1.00 0.00 O ATOM 0 H ASP B 37 -2.828 -2.064 -5.701 1.00 0.00 H new ATOM 0 HA ASP B 37 -4.511 -0.307 -4.172 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -4.650 -2.843 -4.355 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -3.258 -2.908 -3.292 1.00 0.00 H new ATOM 1708 N LEU B 38 -1.371 -0.560 -3.415 1.00 0.00 N ATOM 1709 CA LEU B 38 -0.302 0.099 -2.684 1.00 0.00 C ATOM 1710 C LEU B 38 -0.330 1.590 -2.981 1.00 0.00 C ATOM 1711 O LEU B 38 -0.216 2.419 -2.078 1.00 0.00 O ATOM 1712 CB LEU B 38 1.054 -0.522 -3.061 1.00 0.00 C ATOM 1713 CG LEU B 38 2.326 0.188 -2.584 1.00 0.00 C ATOM 1714 CD1 LEU B 38 2.337 0.378 -1.089 1.00 0.00 C ATOM 1715 CD2 LEU B 38 3.542 -0.600 -3.008 1.00 0.00 C ATOM 0 H LEU B 38 -1.048 -1.228 -4.115 1.00 0.00 H new ATOM 0 HA LEU B 38 -0.447 -0.041 -1.613 1.00 0.00 H new ATOM 0 HB2 LEU B 38 1.074 -1.541 -2.674 1.00 0.00 H new ATOM 0 HB3 LEU B 38 1.098 -0.593 -4.148 1.00 0.00 H new ATOM 0 HG LEU B 38 2.346 1.176 -3.044 1.00 0.00 H new ATOM 0 HD11 LEU B 38 3.256 0.885 -0.793 1.00 0.00 H new ATOM 0 HD12 LEU B 38 1.479 0.981 -0.793 1.00 0.00 H new ATOM 0 HD13 LEU B 38 2.285 -0.594 -0.598 1.00 0.00 H new ATOM 0 HD21 LEU B 38 4.443 -0.091 -2.666 1.00 0.00 H new ATOM 0 HD22 LEU B 38 3.500 -1.597 -2.570 1.00 0.00 H new ATOM 0 HD23 LEU B 38 3.562 -0.682 -4.095 1.00 0.00 H new ATOM 1727 N ASP B 39 -0.526 1.922 -4.244 1.00 0.00 N ATOM 1728 CA ASP B 39 -0.628 3.308 -4.667 1.00 0.00 C ATOM 1729 C ASP B 39 -1.850 3.951 -4.016 1.00 0.00 C ATOM 1730 O ASP B 39 -1.798 5.091 -3.547 1.00 0.00 O ATOM 1731 CB ASP B 39 -0.712 3.397 -6.193 1.00 0.00 C ATOM 1732 CG ASP B 39 -0.694 4.822 -6.699 1.00 0.00 C ATOM 1733 OD1 ASP B 39 0.393 5.444 -6.698 1.00 0.00 O ATOM 1734 OD2 ASP B 39 -1.751 5.346 -7.114 1.00 0.00 O ATOM 0 H ASP B 39 -0.618 1.245 -5.001 1.00 0.00 H new ATOM 0 HA ASP B 39 0.264 3.848 -4.350 1.00 0.00 H new ATOM 0 HB2 ASP B 39 0.123 2.850 -6.631 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -1.625 2.908 -6.531 1.00 0.00 H new ATOM 1739 N LYS B 40 -2.929 3.184 -3.944 1.00 0.00 N ATOM 1740 CA LYS B 40 -4.159 3.611 -3.283 1.00 0.00 C ATOM 1741 C LYS B 40 -3.921 3.888 -1.802 1.00 0.00 C ATOM 1742 O LYS B 40 -4.348 4.925 -1.287 1.00 0.00 O ATOM 1743 CB LYS B 40 -5.251 2.542 -3.397 1.00 0.00 C ATOM 1744 CG LYS B 40 -5.911 2.397 -4.756 1.00 0.00 C ATOM 1745 CD LYS B 40 -6.852 1.176 -4.796 1.00 0.00 C ATOM 1746 CE LYS B 40 -7.868 1.158 -3.645 1.00 0.00 C ATOM 1747 NZ LYS B 40 -8.788 2.316 -3.670 1.00 0.00 N ATOM 0 H LYS B 40 -2.978 2.246 -4.342 1.00 0.00 H new ATOM 0 HA LYS B 40 -4.482 4.524 -3.784 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -4.818 1.580 -3.123 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -6.025 2.764 -2.663 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -6.475 3.301 -4.987 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -5.145 2.294 -5.525 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -7.388 1.169 -5.745 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -6.256 0.264 -4.760 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -8.450 0.237 -3.695 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -7.333 1.146 -2.695 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -9.450 2.251 -2.871 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -8.240 3.197 -3.594 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -9.322 2.316 -4.563 1.00 0.00 H new ATOM 1761 N LEU B 41 -3.261 2.944 -1.129 1.00 0.00 N ATOM 1762 CA LEU B 41 -2.970 3.025 0.306 1.00 0.00 C ATOM 1763 C LEU B 41 -2.173 4.293 0.579 1.00 0.00 C ATOM 1764 O LEU B 41 -2.483 5.063 1.494 1.00 0.00 O ATOM 1765 CB LEU B 41 -2.123 1.812 0.750 1.00 0.00 C ATOM 1766 CG LEU B 41 -2.374 1.221 2.162 1.00 0.00 C ATOM 1767 CD1 LEU B 41 -1.208 0.424 2.664 1.00 0.00 C ATOM 1768 CD2 LEU B 41 -2.863 2.223 3.182 1.00 0.00 C ATOM 0 H LEU B 41 -2.909 2.093 -1.568 1.00 0.00 H new ATOM 0 HA LEU B 41 -3.910 3.033 0.857 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -2.277 1.015 0.023 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -1.073 2.099 0.691 1.00 0.00 H new ATOM 0 HG LEU B 41 -3.206 0.529 2.028 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -1.435 0.033 3.656 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -1.013 -0.404 1.983 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -0.327 1.063 2.719 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -3.012 1.724 4.140 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -2.124 3.016 3.297 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -3.807 2.653 2.846 1.00 0.00 H new ATOM 1780 N ILE B 42 -1.165 4.507 -0.232 1.00 0.00 N ATOM 1781 CA ILE B 42 -0.315 5.661 -0.105 1.00 0.00 C ATOM 1782 C ILE B 42 -1.111 6.953 -0.292 1.00 0.00 C ATOM 1783 O ILE B 42 -1.170 7.754 0.617 1.00 0.00 O ATOM 1784 CB ILE B 42 0.920 5.583 -1.043 1.00 0.00 C ATOM 1785 CG1 ILE B 42 1.796 4.396 -0.623 1.00 0.00 C ATOM 1786 CG2 ILE B 42 1.722 6.869 -0.989 1.00 0.00 C ATOM 1787 CD1 ILE B 42 3.016 4.183 -1.481 1.00 0.00 C ATOM 0 H ILE B 42 -0.913 3.884 -0.999 1.00 0.00 H new ATOM 0 HA ILE B 42 0.079 5.670 0.911 1.00 0.00 H new ATOM 0 HB ILE B 42 0.578 5.443 -2.069 1.00 0.00 H new ATOM 0 HG12 ILE B 42 2.115 4.544 0.409 1.00 0.00 H new ATOM 0 HG13 ILE B 42 1.191 3.490 -0.643 1.00 0.00 H new ATOM 0 HG21 ILE B 42 2.582 6.790 -1.654 1.00 0.00 H new ATOM 0 HG22 ILE B 42 1.095 7.703 -1.304 1.00 0.00 H new ATOM 0 HG23 ILE B 42 2.067 7.040 0.031 1.00 0.00 H new ATOM 0 HD11 ILE B 42 3.575 3.324 -1.111 1.00 0.00 H new ATOM 0 HD12 ILE B 42 2.709 4.000 -2.511 1.00 0.00 H new ATOM 0 HD13 ILE B 42 3.647 5.071 -1.443 1.00 0.00 H new ATOM 1799 N ASN B 43 -1.778 7.107 -1.431 1.00 0.00 N ATOM 1800 CA ASN B 43 -2.621 8.309 -1.712 1.00 0.00 C ATOM 1801 C ASN B 43 -3.641 8.571 -0.617 1.00 0.00 C ATOM 1802 O ASN B 43 -3.937 9.734 -0.294 1.00 0.00 O ATOM 1803 CB ASN B 43 -3.363 8.215 -3.048 1.00 0.00 C ATOM 1804 CG ASN B 43 -2.510 8.496 -4.264 1.00 0.00 C ATOM 1805 OD1 ASN B 43 -2.411 9.639 -4.711 1.00 0.00 O ATOM 1806 ND2 ASN B 43 -1.905 7.490 -4.816 1.00 0.00 N ATOM 0 H ASN B 43 -1.764 6.424 -2.188 1.00 0.00 H new ATOM 0 HA ASN B 43 -1.914 9.137 -1.755 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -3.789 7.216 -3.142 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -4.197 8.917 -3.035 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -1.327 7.634 -5.644 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -2.007 6.555 -4.422 1.00 0.00 H new ATOM 1813 N LYS B 44 -4.169 7.491 -0.054 1.00 0.00 N ATOM 1814 CA LYS B 44 -5.127 7.538 1.045 1.00 0.00 C ATOM 1815 C LYS B 44 -4.500 8.310 2.215 1.00 0.00 C ATOM 1816 O LYS B 44 -5.019 9.335 2.659 1.00 0.00 O ATOM 1817 CB LYS B 44 -5.420 6.097 1.488 1.00 0.00 C ATOM 1818 CG LYS B 44 -6.528 5.916 2.513 1.00 0.00 C ATOM 1819 CD LYS B 44 -6.465 4.528 3.138 1.00 0.00 C ATOM 1820 CE LYS B 44 -6.648 3.405 2.118 1.00 0.00 C ATOM 1821 NZ LYS B 44 -8.003 3.369 1.518 1.00 0.00 N ATOM 0 H LYS B 44 -3.940 6.543 -0.352 1.00 0.00 H new ATOM 0 HA LYS B 44 -6.048 8.031 0.732 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -5.674 5.513 0.604 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -4.503 5.673 1.898 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -6.438 6.674 3.291 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -7.498 6.062 2.037 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -5.504 4.404 3.638 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -7.236 4.445 3.904 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -5.910 3.522 1.324 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -6.447 2.449 2.602 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -8.060 2.586 0.836 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -8.711 3.228 2.267 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -8.190 4.268 1.029 1.00 0.00 H new ATOM 1835 N PHE B 45 -3.342 7.844 2.635 1.00 0.00 N ATOM 1836 CA PHE B 45 -2.630 8.409 3.762 1.00 0.00 C ATOM 1837 C PHE B 45 -1.886 9.689 3.445 1.00 0.00 C ATOM 1838 O PHE B 45 -1.604 10.481 4.340 1.00 0.00 O ATOM 1839 CB PHE B 45 -1.717 7.381 4.394 1.00 0.00 C ATOM 1840 CG PHE B 45 -2.442 6.505 5.359 1.00 0.00 C ATOM 1841 CD1 PHE B 45 -3.067 5.345 4.949 1.00 0.00 C ATOM 1842 CD2 PHE B 45 -2.513 6.869 6.685 1.00 0.00 C ATOM 1843 CE1 PHE B 45 -3.753 4.555 5.854 1.00 0.00 C ATOM 1844 CE2 PHE B 45 -3.193 6.086 7.596 1.00 0.00 C ATOM 1845 CZ PHE B 45 -3.815 4.928 7.178 1.00 0.00 C ATOM 0 H PHE B 45 -2.864 7.055 2.199 1.00 0.00 H new ATOM 0 HA PHE B 45 -3.395 8.693 4.485 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -1.268 6.766 3.613 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -0.901 7.889 4.908 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -3.020 5.051 3.911 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -2.031 7.777 7.016 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -4.238 3.649 5.523 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -3.238 6.380 8.634 1.00 0.00 H new ATOM 0 HZ PHE B 45 -4.350 4.315 7.888 1.00 0.00 H new ATOM 1855 N MET B 46 -1.593 9.917 2.185 1.00 0.00 N ATOM 1856 CA MET B 46 -0.920 11.144 1.779 1.00 0.00 C ATOM 1857 C MET B 46 -1.915 12.285 1.683 1.00 0.00 C ATOM 1858 O MET B 46 -1.556 13.400 1.298 1.00 0.00 O ATOM 1859 CB MET B 46 -0.220 11.006 0.433 1.00 0.00 C ATOM 1860 CG MET B 46 0.839 9.943 0.373 1.00 0.00 C ATOM 1861 SD MET B 46 2.172 10.372 -0.742 1.00 0.00 S ATOM 1862 CE MET B 46 2.895 11.731 0.165 1.00 0.00 C ATOM 0 H MET B 46 -1.806 9.276 1.421 1.00 0.00 H new ATOM 0 HA MET B 46 -0.169 11.350 2.542 1.00 0.00 H new ATOM 0 HB2 MET B 46 -0.970 10.794 -0.329 1.00 0.00 H new ATOM 0 HB3 MET B 46 0.233 11.964 0.176 1.00 0.00 H new ATOM 0 HG2 MET B 46 1.243 9.779 1.372 1.00 0.00 H new ATOM 0 HG3 MET B 46 0.389 9.003 0.053 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.845 12.009 -0.292 1.00 0.00 H new ATOM 0 HE2 MET B 46 2.218 12.585 0.142 1.00 0.00 H new ATOM 0 HE3 MET B 46 3.064 11.429 1.199 1.00 0.00 H new