USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 863 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 SER OG : rot 180:sc= 0.372 USER MOD Set 1.2: A 103 THR OG1 : rot -68:sc= 0.396 USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0.119 USER MOD Set 2.2: A 18 THR OG1 : rot -62:sc= 0.124 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 1.81 K(o=1.8,f=-6.6!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0942 K(o=-0.094,f=-1.1) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 153:sc= 0.886 USER MOD Single : A 24 GLN : amide:sc= 0.624 K(o=0.62,f=-1.4!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 174:sc= 0.954 (180deg=0.931) USER MOD Single : A 36 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0404) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.315 X(o=0.32,f=0) USER MOD Single : A 45 MET CE :methyl -117:sc= -0.385 (180deg=-0.637) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -143:sc= 0.0287 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.273 K(o=-0.27,f=-1.6) USER MOD Single : A 65 SER OG : rot 111:sc= 1.15 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.188 K(o=-0.19,f=-1.6!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.0564 USER MOD Single : A 91 ASN : amide:sc= -0.766 K(o=-0.77,f=-4.7!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.292 K(o=-0.29,f=-1.5!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 5 13.614 9.870 1.135 1.00 0.00 N ATOM 61 CA LYS A 5 12.545 9.908 2.126 1.00 0.00 C ATOM 62 C LYS A 5 11.192 10.054 1.405 1.00 0.00 C ATOM 63 O LYS A 5 10.985 11.000 0.640 1.00 0.00 O ATOM 64 CB LYS A 5 12.762 11.055 3.115 1.00 0.00 C ATOM 65 CG LYS A 5 11.834 11.027 4.323 1.00 0.00 C ATOM 66 CD LYS A 5 12.171 12.140 5.304 1.00 0.00 C ATOM 67 CE LYS A 5 11.492 13.445 4.916 1.00 0.00 C ATOM 68 NZ LYS A 5 11.747 14.522 5.911 1.00 0.00 N ATOM 0 HA LYS A 5 12.549 8.979 2.695 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.794 11.027 3.464 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.628 12.001 2.591 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.800 11.131 3.993 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.913 10.062 4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.859 11.850 6.307 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.251 12.285 5.335 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.850 13.763 3.937 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.418 13.282 4.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.267 15.394 5.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.382 14.230 6.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.770 14.696 5.980 1.00 0.00 H new ATOM 82 N VAL A 6 10.300 9.094 1.640 1.00 0.00 N ATOM 83 CA VAL A 6 8.959 9.052 1.035 1.00 0.00 C ATOM 84 C VAL A 6 7.954 8.811 2.171 1.00 0.00 C ATOM 85 O VAL A 6 8.224 8.024 3.087 1.00 0.00 O ATOM 86 CB VAL A 6 8.823 7.951 -0.033 1.00 0.00 C ATOM 87 CG1 VAL A 6 9.235 6.603 0.536 1.00 0.00 C ATOM 88 CG2 VAL A 6 7.396 7.892 -0.560 1.00 0.00 C ATOM 0 H VAL A 6 10.486 8.309 2.264 1.00 0.00 H new ATOM 0 HA VAL A 6 8.770 9.996 0.523 1.00 0.00 H new ATOM 0 HB VAL A 6 9.487 8.193 -0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.132 5.837 -0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.273 6.649 0.866 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.596 6.355 1.383 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.319 7.108 -1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.713 7.674 0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.133 8.851 -1.006 1.00 0.00 H new ATOM 98 N GLU A 7 6.800 9.478 2.107 1.00 0.00 N ATOM 99 CA GLU A 7 5.687 9.227 3.035 1.00 0.00 C ATOM 100 C GLU A 7 4.574 8.475 2.288 1.00 0.00 C ATOM 101 O GLU A 7 4.232 8.806 1.151 1.00 0.00 O ATOM 102 CB GLU A 7 5.154 10.535 3.623 1.00 0.00 C ATOM 103 CG GLU A 7 6.129 11.254 4.544 1.00 0.00 C ATOM 104 CD GLU A 7 5.494 12.461 5.178 1.00 0.00 C ATOM 105 OE1 GLU A 7 5.044 13.319 4.457 1.00 0.00 O ATOM 106 OE2 GLU A 7 5.357 12.475 6.378 1.00 0.00 O ATOM 0 H GLU A 7 6.608 10.204 1.416 1.00 0.00 H new ATOM 0 HA GLU A 7 6.045 8.619 3.866 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.885 11.204 2.805 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.239 10.324 4.176 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.470 10.570 5.321 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.009 11.559 3.978 1.00 0.00 H new ATOM 113 N VAL A 8 4.022 7.457 2.947 1.00 0.00 N ATOM 114 CA VAL A 8 2.956 6.603 2.406 1.00 0.00 C ATOM 115 C VAL A 8 1.710 6.695 3.310 1.00 0.00 C ATOM 116 O VAL A 8 1.795 6.440 4.514 1.00 0.00 O ATOM 117 CB VAL A 8 3.402 5.133 2.289 1.00 0.00 C ATOM 118 CG1 VAL A 8 2.248 4.263 1.814 1.00 0.00 C ATOM 119 CG2 VAL A 8 4.584 5.009 1.341 1.00 0.00 C ATOM 0 H VAL A 8 4.306 7.195 3.891 1.00 0.00 H new ATOM 0 HA VAL A 8 2.720 6.960 1.404 1.00 0.00 H new ATOM 0 HB VAL A 8 3.712 4.788 3.275 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.581 3.228 1.737 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.426 4.328 2.527 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.909 4.609 0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.886 3.964 1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.298 5.372 0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.417 5.602 1.718 1.00 0.00 H new ATOM 129 N GLN A 9 0.560 7.066 2.720 1.00 0.00 N ATOM 130 CA GLN A 9 -0.731 7.122 3.426 1.00 0.00 C ATOM 131 C GLN A 9 -1.541 5.875 3.051 1.00 0.00 C ATOM 132 O GLN A 9 -1.890 5.689 1.885 1.00 0.00 O ATOM 133 CB GLN A 9 -1.510 8.390 3.067 1.00 0.00 C ATOM 134 CG GLN A 9 -2.830 8.541 3.804 1.00 0.00 C ATOM 135 CD GLN A 9 -3.559 9.818 3.430 1.00 0.00 C ATOM 136 OE1 GLN A 9 -3.033 10.656 2.693 1.00 0.00 O ATOM 137 NE2 GLN A 9 -4.775 9.974 3.940 1.00 0.00 N ATOM 0 H GLN A 9 0.500 7.336 1.738 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.551 7.148 4.501 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.887 9.258 3.280 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.704 8.392 1.994 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.467 7.684 3.583 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.646 8.532 4.878 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -5.170 9.254 4.545 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -5.314 10.813 3.727 1.00 0.00 H new ATOM 146 N VAL A 10 -1.839 5.030 4.043 1.00 0.00 N ATOM 147 CA VAL A 10 -2.588 3.780 3.846 1.00 0.00 C ATOM 148 C VAL A 10 -3.950 3.909 4.541 1.00 0.00 C ATOM 149 O VAL A 10 -4.006 4.146 5.751 1.00 0.00 O ATOM 150 CB VAL A 10 -1.836 2.555 4.400 1.00 0.00 C ATOM 151 CG1 VAL A 10 -2.659 1.291 4.204 1.00 0.00 C ATOM 152 CG2 VAL A 10 -0.478 2.415 3.730 1.00 0.00 C ATOM 0 H VAL A 10 -1.567 5.193 5.012 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.712 3.623 2.775 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.679 2.702 5.469 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.112 0.436 4.601 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.609 1.390 4.729 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.846 1.140 3.141 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.039 1.544 4.134 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.613 2.291 2.656 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.115 3.310 3.920 1.00 0.00 H new ATOM 162 N LYS A 11 -5.041 3.799 3.763 1.00 0.00 N ATOM 163 CA LYS A 11 -6.411 3.926 4.273 1.00 0.00 C ATOM 164 C LYS A 11 -7.164 2.617 4.016 1.00 0.00 C ATOM 165 O LYS A 11 -7.235 2.171 2.887 1.00 0.00 O ATOM 166 CB LYS A 11 -7.139 5.102 3.620 1.00 0.00 C ATOM 167 CG LYS A 11 -8.576 5.291 4.085 1.00 0.00 C ATOM 168 CD LYS A 11 -9.311 6.299 3.215 1.00 0.00 C ATOM 169 CE LYS A 11 -8.827 7.717 3.481 1.00 0.00 C ATOM 170 NZ LYS A 11 -9.587 8.722 2.688 1.00 0.00 N ATOM 0 H LYS A 11 -4.994 3.619 2.760 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.372 4.122 5.345 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.581 6.016 3.823 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.136 4.960 2.539 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.098 4.335 4.057 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.584 5.628 5.121 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.161 6.053 2.164 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.382 6.236 3.408 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.927 7.941 4.543 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.767 7.790 3.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.227 9.675 2.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.471 8.524 1.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.595 8.671 2.937 1.00 0.00 H new ATOM 184 N ILE A 12 -7.726 1.999 5.058 1.00 0.00 N ATOM 185 CA ILE A 12 -8.523 0.768 4.919 1.00 0.00 C ATOM 186 C ILE A 12 -9.936 0.952 5.517 1.00 0.00 C ATOM 187 O ILE A 12 -10.096 1.475 6.617 1.00 0.00 O ATOM 188 CB ILE A 12 -7.834 -0.428 5.600 1.00 0.00 C ATOM 189 CG1 ILE A 12 -8.675 -1.697 5.428 1.00 0.00 C ATOM 190 CG2 ILE A 12 -7.599 -0.138 7.075 1.00 0.00 C ATOM 191 CD1 ILE A 12 -7.951 -2.966 5.814 1.00 0.00 C ATOM 0 H ILE A 12 -7.645 2.332 6.019 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.609 0.563 3.852 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.867 -0.588 5.124 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.578 -1.607 6.031 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -8.992 -1.773 4.388 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.111 -0.994 7.541 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.963 0.741 7.176 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.554 0.047 7.566 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.611 -3.821 5.665 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.062 -3.081 5.194 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.657 -2.913 6.862 1.00 0.00 H new ATOM 203 N THR A 13 -10.952 0.511 4.764 1.00 0.00 N ATOM 204 CA THR A 13 -12.354 0.551 5.181 1.00 0.00 C ATOM 205 C THR A 13 -12.786 -0.869 5.594 1.00 0.00 C ATOM 206 O THR A 13 -12.539 -1.831 4.850 1.00 0.00 O ATOM 207 CB THR A 13 -13.276 1.076 4.065 1.00 0.00 C ATOM 208 OG1 THR A 13 -12.914 2.424 3.737 1.00 0.00 O ATOM 209 CG2 THR A 13 -14.729 1.038 4.511 1.00 0.00 C ATOM 0 H THR A 13 -10.818 0.111 3.835 1.00 0.00 H new ATOM 0 HA THR A 13 -12.443 1.240 6.021 1.00 0.00 H new ATOM 0 HB THR A 13 -13.160 0.438 3.189 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.500 2.756 3.026 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.366 1.413 3.709 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.010 0.012 4.748 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.854 1.662 5.396 1.00 0.00 H new ATOM 217 N CYS A 14 -13.366 -0.994 6.803 1.00 0.00 N ATOM 218 CA CYS A 14 -13.692 -2.288 7.428 1.00 0.00 C ATOM 219 C CYS A 14 -14.991 -2.168 8.234 1.00 0.00 C ATOM 220 O CYS A 14 -15.072 -1.362 9.181 1.00 0.00 O ATOM 221 CB CYS A 14 -12.547 -2.756 8.345 1.00 0.00 C ATOM 222 SG CYS A 14 -12.914 -4.292 9.262 1.00 0.00 S ATOM 0 H CYS A 14 -13.623 -0.192 7.378 1.00 0.00 H new ATOM 0 HA CYS A 14 -13.825 -3.027 6.638 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -11.652 -2.909 7.742 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.319 -1.964 9.059 1.00 0.00 H new ATOM 227 N ASN A 15 -16.005 -2.967 7.833 1.00 0.00 N ATOM 228 CA ASN A 15 -17.340 -3.004 8.461 1.00 0.00 C ATOM 229 C ASN A 15 -17.978 -1.594 8.492 1.00 0.00 C ATOM 230 O ASN A 15 -18.632 -1.196 9.465 1.00 0.00 O ATOM 231 CB ASN A 15 -17.275 -3.586 9.861 1.00 0.00 C ATOM 232 CG ASN A 15 -18.601 -4.077 10.373 1.00 0.00 C ATOM 233 OD1 ASN A 15 -19.470 -4.499 9.603 1.00 0.00 O ATOM 234 ND2 ASN A 15 -18.792 -3.946 11.662 1.00 0.00 N ATOM 0 H ASN A 15 -15.915 -3.615 7.050 1.00 0.00 H new ATOM 0 HA ASN A 15 -17.969 -3.654 7.853 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -16.564 -4.412 9.869 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -16.890 -2.828 10.543 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -19.691 -4.197 12.072 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -18.041 -3.593 12.255 1.00 0.00 H new ATOM 241 N GLY A 16 -17.687 -0.820 7.434 1.00 0.00 N ATOM 242 CA GLY A 16 -18.200 0.545 7.267 1.00 0.00 C ATOM 243 C GLY A 16 -17.387 1.631 7.970 1.00 0.00 C ATOM 244 O GLY A 16 -17.772 2.806 7.943 1.00 0.00 O ATOM 0 H GLY A 16 -17.087 -1.127 6.669 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.240 0.774 6.202 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -19.224 0.580 7.639 1.00 0.00 H new ATOM 248 N LYS A 17 -16.269 1.236 8.607 1.00 0.00 N ATOM 249 CA LYS A 17 -15.384 2.152 9.344 1.00 0.00 C ATOM 250 C LYS A 17 -14.049 2.318 8.602 1.00 0.00 C ATOM 251 O LYS A 17 -13.404 1.334 8.249 1.00 0.00 O ATOM 252 CB LYS A 17 -15.143 1.645 10.766 1.00 0.00 C ATOM 253 CG LYS A 17 -16.393 1.583 11.633 1.00 0.00 C ATOM 254 CD LYS A 17 -16.953 2.973 11.896 1.00 0.00 C ATOM 255 CE LYS A 17 -15.943 3.851 12.620 1.00 0.00 C ATOM 256 NZ LYS A 17 -16.525 5.165 13.008 1.00 0.00 N ATOM 0 H LYS A 17 -15.954 0.266 8.624 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.873 3.124 9.406 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -14.702 0.649 10.714 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -14.412 2.292 11.250 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -17.149 0.971 11.141 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -16.157 1.098 12.580 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -17.231 3.439 10.951 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -17.862 2.894 12.492 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -15.587 3.335 13.511 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -15.077 4.013 11.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -15.805 5.733 13.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -16.842 5.670 12.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -17.336 5.012 13.641 1.00 0.00 H new ATOM 270 N THR A 18 -13.651 3.582 8.389 1.00 0.00 N ATOM 271 CA THR A 18 -12.434 3.948 7.647 1.00 0.00 C ATOM 272 C THR A 18 -11.292 4.288 8.633 1.00 0.00 C ATOM 273 O THR A 18 -11.447 5.164 9.497 1.00 0.00 O ATOM 274 CB THR A 18 -12.676 5.145 6.710 1.00 0.00 C ATOM 275 OG1 THR A 18 -13.651 4.791 5.721 1.00 0.00 O ATOM 276 CG2 THR A 18 -11.383 5.551 6.020 1.00 0.00 C ATOM 0 H THR A 18 -14.172 4.389 8.732 1.00 0.00 H new ATOM 0 HA THR A 18 -12.152 3.090 7.036 1.00 0.00 H new ATOM 0 HB THR A 18 -13.039 5.985 7.303 1.00 0.00 H new ATOM 0 HG1 THR A 18 -13.309 4.054 5.173 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.573 6.399 5.361 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.643 5.832 6.770 1.00 0.00 H new ATOM 0 HG23 THR A 18 -11.005 4.713 5.434 1.00 0.00 H new ATOM 284 N TYR A 19 -10.166 3.574 8.511 1.00 0.00 N ATOM 285 CA TYR A 19 -8.977 3.756 9.361 1.00 0.00 C ATOM 286 C TYR A 19 -7.777 4.082 8.473 1.00 0.00 C ATOM 287 O TYR A 19 -7.489 3.339 7.533 1.00 0.00 O ATOM 288 CB TYR A 19 -8.671 2.463 10.162 1.00 0.00 C ATOM 289 CG TYR A 19 -9.823 1.948 11.020 1.00 0.00 C ATOM 290 CD1 TYR A 19 -9.999 2.395 12.328 1.00 0.00 C ATOM 291 CD2 TYR A 19 -10.727 1.007 10.520 1.00 0.00 C ATOM 292 CE1 TYR A 19 -11.034 1.925 13.103 1.00 0.00 C ATOM 293 CE2 TYR A 19 -11.760 0.538 11.292 1.00 0.00 C ATOM 294 CZ TYR A 19 -11.906 1.000 12.586 1.00 0.00 C ATOM 295 OH TYR A 19 -12.936 0.537 13.363 1.00 0.00 O ATOM 0 H TYR A 19 -10.051 2.842 7.810 1.00 0.00 H new ATOM 0 HA TYR A 19 -9.168 4.568 10.062 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.381 1.680 9.462 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.812 2.648 10.807 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -9.313 3.121 12.739 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.611 0.643 9.510 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.160 2.283 14.114 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -12.453 -0.187 10.891 1.00 0.00 H new ATOM 0 HH TYR A 19 -13.465 -0.111 12.853 1.00 0.00 H new ATOM 305 N GLU A 20 -7.079 5.185 8.756 1.00 0.00 N ATOM 306 CA GLU A 20 -5.938 5.617 7.930 1.00 0.00 C ATOM 307 C GLU A 20 -4.755 6.030 8.813 1.00 0.00 C ATOM 308 O GLU A 20 -4.941 6.533 9.927 1.00 0.00 O ATOM 309 CB GLU A 20 -6.339 6.776 7.014 1.00 0.00 C ATOM 310 CG GLU A 20 -6.757 8.042 7.748 1.00 0.00 C ATOM 311 CD GLU A 20 -7.016 9.170 6.788 1.00 0.00 C ATOM 312 OE1 GLU A 20 -6.835 8.976 5.610 1.00 0.00 O ATOM 313 OE2 GLU A 20 -7.501 10.189 7.218 1.00 0.00 O ATOM 0 H GLU A 20 -7.280 5.796 9.547 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.634 4.773 7.311 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.501 7.011 6.358 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.162 6.452 6.377 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.656 7.846 8.333 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.976 8.332 8.451 1.00 0.00 H new ATOM 320 N ARG A 21 -3.540 5.784 8.307 1.00 0.00 N ATOM 321 CA ARG A 21 -2.292 6.150 8.984 1.00 0.00 C ATOM 322 C ARG A 21 -1.211 6.445 7.939 1.00 0.00 C ATOM 323 O ARG A 21 -1.120 5.753 6.920 1.00 0.00 O ATOM 324 CB ARG A 21 -1.840 5.102 9.991 1.00 0.00 C ATOM 325 CG ARG A 21 -0.665 5.517 10.862 1.00 0.00 C ATOM 326 CD ARG A 21 -0.342 4.558 11.950 1.00 0.00 C ATOM 327 NE ARG A 21 0.837 4.904 12.727 1.00 0.00 N ATOM 328 CZ ARG A 21 1.143 4.377 13.929 1.00 0.00 C ATOM 329 NH1 ARG A 21 0.345 3.511 14.511 1.00 0.00 N ATOM 330 NH2 ARG A 21 2.258 4.773 14.518 1.00 0.00 N ATOM 0 H ARG A 21 -3.396 5.322 7.409 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.475 7.052 9.567 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.682 4.852 10.637 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.571 4.193 9.452 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.214 5.641 10.230 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.881 6.490 11.303 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.197 4.489 12.622 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.198 3.569 11.515 1.00 0.00 H new ATOM 0 HE ARG A 21 1.478 5.594 12.335 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.521 3.228 14.053 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.592 3.122 15.421 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.860 5.459 14.062 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.517 4.392 15.428 1.00 0.00 H new ATOM 344 N THR A 22 -0.421 7.495 8.187 1.00 0.00 N ATOM 345 CA THR A 22 0.694 7.900 7.330 1.00 0.00 C ATOM 346 C THR A 22 2.026 7.380 7.926 1.00 0.00 C ATOM 347 O THR A 22 2.273 7.525 9.129 1.00 0.00 O ATOM 348 CB THR A 22 0.759 9.429 7.166 1.00 0.00 C ATOM 349 OG1 THR A 22 -0.451 9.899 6.557 1.00 0.00 O ATOM 350 CG2 THR A 22 1.945 9.823 6.298 1.00 0.00 C ATOM 0 H THR A 22 -0.542 8.096 9.002 1.00 0.00 H new ATOM 0 HA THR A 22 0.534 7.465 6.344 1.00 0.00 H new ATOM 0 HB THR A 22 0.877 9.880 8.151 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.409 10.873 6.455 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.975 10.908 6.193 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.868 9.478 6.764 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.843 9.366 5.314 1.00 0.00 H new ATOM 358 N TYR A 23 2.857 6.747 7.077 1.00 0.00 N ATOM 359 CA TYR A 23 4.127 6.117 7.480 1.00 0.00 C ATOM 360 C TYR A 23 5.286 6.792 6.743 1.00 0.00 C ATOM 361 O TYR A 23 5.141 7.168 5.578 1.00 0.00 O ATOM 362 CB TYR A 23 4.114 4.614 7.189 1.00 0.00 C ATOM 363 CG TYR A 23 2.976 3.871 7.852 1.00 0.00 C ATOM 364 CD1 TYR A 23 1.719 3.823 7.268 1.00 0.00 C ATOM 365 CD2 TYR A 23 3.164 3.216 9.060 1.00 0.00 C ATOM 366 CE1 TYR A 23 0.676 3.146 7.870 1.00 0.00 C ATOM 367 CE2 TYR A 23 2.129 2.535 9.671 1.00 0.00 C ATOM 368 CZ TYR A 23 0.885 2.503 9.072 1.00 0.00 C ATOM 369 OH TYR A 23 -0.149 1.825 9.676 1.00 0.00 O ATOM 0 H TYR A 23 2.662 6.658 6.080 1.00 0.00 H new ATOM 0 HA TYR A 23 4.255 6.246 8.555 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.054 4.463 6.111 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.058 4.182 7.519 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.553 4.324 6.326 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.136 3.239 9.531 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.297 3.120 7.402 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.292 2.030 10.612 1.00 0.00 H new ATOM 0 HH TYR A 23 0.213 1.101 10.228 1.00 0.00 H new ATOM 379 N GLN A 24 6.429 6.922 7.412 1.00 0.00 N ATOM 380 CA GLN A 24 7.671 7.402 6.794 1.00 0.00 C ATOM 381 C GLN A 24 8.563 6.193 6.474 1.00 0.00 C ATOM 382 O GLN A 24 8.956 5.459 7.380 1.00 0.00 O ATOM 383 CB GLN A 24 8.408 8.377 7.717 1.00 0.00 C ATOM 384 CG GLN A 24 7.746 9.738 7.840 1.00 0.00 C ATOM 385 CD GLN A 24 6.575 9.727 8.804 1.00 0.00 C ATOM 386 OE1 GLN A 24 6.569 8.981 9.786 1.00 0.00 O ATOM 387 NE2 GLN A 24 5.574 10.554 8.527 1.00 0.00 N ATOM 0 H GLN A 24 6.524 6.697 8.402 1.00 0.00 H new ATOM 0 HA GLN A 24 7.428 7.939 5.877 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.486 7.932 8.709 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.425 8.512 7.347 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.482 10.468 8.176 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.401 10.061 6.858 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.621 11.154 7.703 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.758 10.590 9.138 1.00 0.00 H new ATOM 396 N LEU A 25 8.834 5.966 5.177 1.00 0.00 N ATOM 397 CA LEU A 25 9.646 4.826 4.691 1.00 0.00 C ATOM 398 C LEU A 25 10.977 5.353 4.143 1.00 0.00 C ATOM 399 O LEU A 25 11.001 6.359 3.447 1.00 0.00 O ATOM 400 CB LEU A 25 8.893 4.032 3.616 1.00 0.00 C ATOM 401 CG LEU A 25 7.564 3.415 4.070 1.00 0.00 C ATOM 402 CD1 LEU A 25 6.916 2.664 2.916 1.00 0.00 C ATOM 403 CD2 LEU A 25 7.813 2.485 5.249 1.00 0.00 C ATOM 0 H LEU A 25 8.496 6.570 4.428 1.00 0.00 H new ATOM 0 HA LEU A 25 9.840 4.148 5.522 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.699 4.691 2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.542 3.233 3.256 1.00 0.00 H new ATOM 0 HG LEU A 25 6.884 4.206 4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.973 2.230 3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.728 3.354 2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.582 1.870 2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.869 2.046 5.572 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.498 1.692 4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.251 3.050 6.072 1.00 0.00 H new ATOM 415 N TYR A 26 12.081 4.672 4.465 1.00 0.00 N ATOM 416 CA TYR A 26 13.403 4.938 3.863 1.00 0.00 C ATOM 417 C TYR A 26 14.129 3.595 3.668 1.00 0.00 C ATOM 418 O TYR A 26 14.279 2.831 4.624 1.00 0.00 O ATOM 419 CB TYR A 26 14.233 5.879 4.738 1.00 0.00 C ATOM 420 CG TYR A 26 15.580 6.235 4.149 1.00 0.00 C ATOM 421 CD1 TYR A 26 15.712 7.292 3.259 1.00 0.00 C ATOM 422 CD2 TYR A 26 16.717 5.515 4.486 1.00 0.00 C ATOM 423 CE1 TYR A 26 16.940 7.621 2.717 1.00 0.00 C ATOM 424 CE2 TYR A 26 17.949 5.836 3.951 1.00 0.00 C ATOM 425 CZ TYR A 26 18.057 6.890 3.067 1.00 0.00 C ATOM 426 OH TYR A 26 19.283 7.214 2.532 1.00 0.00 O ATOM 0 H TYR A 26 12.089 3.918 5.152 1.00 0.00 H new ATOM 0 HA TYR A 26 13.269 5.432 2.901 1.00 0.00 H new ATOM 0 HB2 TYR A 26 13.668 6.795 4.907 1.00 0.00 H new ATOM 0 HB3 TYR A 26 14.385 5.414 5.712 1.00 0.00 H new ATOM 0 HD1 TYR A 26 14.840 7.867 2.985 1.00 0.00 H new ATOM 0 HD2 TYR A 26 16.637 4.690 5.178 1.00 0.00 H new ATOM 0 HE1 TYR A 26 17.025 8.445 2.024 1.00 0.00 H new ATOM 0 HE2 TYR A 26 18.824 5.265 4.223 1.00 0.00 H new ATOM 0 HH TYR A 26 19.964 6.603 2.882 1.00 0.00 H new ATOM 436 N ALA A 27 14.580 3.321 2.430 1.00 0.00 N ATOM 437 CA ALA A 27 15.193 2.029 2.061 1.00 0.00 C ATOM 438 C ALA A 27 16.262 2.225 0.985 1.00 0.00 C ATOM 439 O ALA A 27 16.141 3.082 0.098 1.00 0.00 O ATOM 440 CB ALA A 27 14.125 1.025 1.589 1.00 0.00 C ATOM 0 H ALA A 27 14.531 3.986 1.658 1.00 0.00 H new ATOM 0 HA ALA A 27 15.672 1.619 2.950 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.604 0.082 1.324 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.407 0.854 2.391 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.607 1.427 0.718 1.00 0.00 H new ATOM 446 N VAL A 28 17.317 1.413 1.103 1.00 0.00 N ATOM 447 CA VAL A 28 18.474 1.405 0.197 1.00 0.00 C ATOM 448 C VAL A 28 18.088 0.658 -1.099 1.00 0.00 C ATOM 449 O VAL A 28 18.247 1.169 -2.213 1.00 0.00 O ATOM 450 CB VAL A 28 19.706 0.738 0.837 1.00 0.00 C ATOM 451 CG1 VAL A 28 20.821 0.583 -0.186 1.00 0.00 C ATOM 452 CG2 VAL A 28 20.190 1.547 2.031 1.00 0.00 C ATOM 0 H VAL A 28 17.394 0.724 1.851 1.00 0.00 H new ATOM 0 HA VAL A 28 18.743 2.438 -0.022 1.00 0.00 H new ATOM 0 HB VAL A 28 19.417 -0.254 1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 28 21.683 0.110 0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 28 20.473 -0.037 -1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 28 21.107 1.565 -0.564 1.00 0.00 H new ATOM 0 HG21 VAL A 28 21.061 1.061 2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 28 20.461 2.551 1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 28 19.395 1.609 2.774 1.00 0.00 H new ATOM 462 N ARG A 29 17.553 -0.553 -0.906 1.00 0.00 N ATOM 463 CA ARG A 29 17.165 -1.477 -1.976 1.00 0.00 C ATOM 464 C ARG A 29 15.632 -1.434 -2.183 1.00 0.00 C ATOM 465 O ARG A 29 14.867 -1.197 -1.235 1.00 0.00 O ATOM 466 CB ARG A 29 17.669 -2.892 -1.727 1.00 0.00 C ATOM 467 CG ARG A 29 19.178 -3.058 -1.814 1.00 0.00 C ATOM 468 CD ARG A 29 19.684 -4.349 -1.283 1.00 0.00 C ATOM 469 NE ARG A 29 19.520 -4.514 0.153 1.00 0.00 N ATOM 470 CZ ARG A 29 19.727 -5.667 0.819 1.00 0.00 C ATOM 471 NH1 ARG A 29 20.066 -6.766 0.181 1.00 0.00 N ATOM 472 NH2 ARG A 29 19.554 -5.671 2.129 1.00 0.00 N ATOM 0 H ARG A 29 17.373 -0.927 0.026 1.00 0.00 H new ATOM 0 HA ARG A 29 17.644 -1.148 -2.898 1.00 0.00 H new ATOM 0 HB2 ARG A 29 17.339 -3.211 -0.738 1.00 0.00 H new ATOM 0 HB3 ARG A 29 17.202 -3.561 -2.450 1.00 0.00 H new ATOM 0 HG2 ARG A 29 19.482 -2.963 -2.856 1.00 0.00 H new ATOM 0 HG3 ARG A 29 19.653 -2.243 -1.268 1.00 0.00 H new ATOM 0 HD2 ARG A 29 19.169 -5.164 -1.791 1.00 0.00 H new ATOM 0 HD3 ARG A 29 20.742 -4.439 -1.528 1.00 0.00 H new ATOM 0 HE ARG A 29 19.228 -3.700 0.694 1.00 0.00 H new ATOM 0 HH11 ARG A 29 20.176 -6.754 -0.833 1.00 0.00 H new ATOM 0 HH12 ARG A 29 20.219 -7.631 0.700 1.00 0.00 H new ATOM 0 HH21 ARG A 29 19.271 -4.816 2.609 1.00 0.00 H new ATOM 0 HH22 ARG A 29 19.703 -6.529 2.661 1.00 0.00 H new ATOM 486 N ASP A 30 15.215 -1.700 -3.433 1.00 0.00 N ATOM 487 CA ASP A 30 13.782 -1.814 -3.839 1.00 0.00 C ATOM 488 C ASP A 30 13.096 -2.961 -3.084 1.00 0.00 C ATOM 489 O ASP A 30 11.927 -2.858 -2.683 1.00 0.00 O ATOM 490 CB ASP A 30 13.655 -2.036 -5.348 1.00 0.00 C ATOM 491 CG ASP A 30 14.492 -3.189 -5.887 1.00 0.00 C ATOM 492 OD1 ASP A 30 15.276 -3.728 -5.142 1.00 0.00 O ATOM 493 OD2 ASP A 30 14.232 -3.623 -6.984 1.00 0.00 O ATOM 0 H ASP A 30 15.863 -1.846 -4.207 1.00 0.00 H new ATOM 0 HA ASP A 30 13.288 -0.876 -3.584 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.608 -2.219 -5.589 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.945 -1.120 -5.863 1.00 0.00 H new ATOM 498 N GLU A 31 13.850 -4.058 -2.914 1.00 0.00 N ATOM 499 CA GLU A 31 13.418 -5.241 -2.152 1.00 0.00 C ATOM 500 C GLU A 31 13.186 -4.894 -0.665 1.00 0.00 C ATOM 501 O GLU A 31 12.250 -5.417 -0.048 1.00 0.00 O ATOM 502 CB GLU A 31 14.452 -6.363 -2.277 1.00 0.00 C ATOM 503 CG GLU A 31 14.042 -7.673 -1.620 1.00 0.00 C ATOM 504 CD GLU A 31 12.889 -8.310 -2.343 1.00 0.00 C ATOM 505 OE1 GLU A 31 12.587 -7.883 -3.432 1.00 0.00 O ATOM 506 OE2 GLU A 31 12.382 -9.295 -1.861 1.00 0.00 O ATOM 0 H GLU A 31 14.787 -4.150 -3.306 1.00 0.00 H new ATOM 0 HA GLU A 31 12.472 -5.582 -2.572 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.645 -6.546 -3.334 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.390 -6.027 -1.835 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.890 -8.358 -1.609 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.766 -7.491 -0.581 1.00 0.00 H new ATOM 513 N GLU A 32 14.023 -3.986 -0.101 1.00 0.00 N ATOM 514 CA GLU A 32 13.856 -3.521 1.289 1.00 0.00 C ATOM 515 C GLU A 32 12.546 -2.733 1.444 1.00 0.00 C ATOM 516 O GLU A 32 11.853 -2.891 2.435 1.00 0.00 O ATOM 517 CB GLU A 32 15.043 -2.657 1.718 1.00 0.00 C ATOM 518 CG GLU A 32 16.345 -3.424 1.902 1.00 0.00 C ATOM 519 CD GLU A 32 17.515 -2.490 2.043 1.00 0.00 C ATOM 520 OE1 GLU A 32 17.331 -1.309 1.872 1.00 0.00 O ATOM 521 OE2 GLU A 32 18.566 -2.941 2.431 1.00 0.00 O ATOM 0 H GLU A 32 14.814 -3.567 -0.589 1.00 0.00 H new ATOM 0 HA GLU A 32 13.814 -4.398 1.934 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.197 -1.877 0.972 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.794 -2.158 2.655 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.274 -4.058 2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.504 -4.084 1.049 1.00 0.00 H new ATOM 528 N LEU A 33 12.225 -1.871 0.471 1.00 0.00 N ATOM 529 CA LEU A 33 10.973 -1.082 0.481 1.00 0.00 C ATOM 530 C LEU A 33 9.748 -2.025 0.366 1.00 0.00 C ATOM 531 O LEU A 33 8.749 -1.803 1.062 1.00 0.00 O ATOM 532 CB LEU A 33 10.991 -0.003 -0.655 1.00 0.00 C ATOM 533 CG LEU A 33 10.147 1.306 -0.399 1.00 0.00 C ATOM 534 CD1 LEU A 33 8.649 1.022 -0.156 1.00 0.00 C ATOM 535 CD2 LEU A 33 10.736 2.142 0.767 1.00 0.00 C ATOM 0 H LEU A 33 12.816 -1.697 -0.342 1.00 0.00 H new ATOM 0 HA LEU A 33 10.894 -0.550 1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 33 12.026 0.288 -0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.629 -0.468 -1.572 1.00 0.00 H new ATOM 0 HG LEU A 33 10.216 1.889 -1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.123 1.962 0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.227 0.523 -1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.537 0.381 0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.130 3.036 0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.734 1.546 1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.759 2.432 0.526 1.00 0.00 H new ATOM 547 N LYS A 34 9.861 -3.084 -0.481 1.00 0.00 N ATOM 548 CA LYS A 34 8.754 -4.047 -0.727 1.00 0.00 C ATOM 549 C LYS A 34 8.264 -4.710 0.576 1.00 0.00 C ATOM 550 O LYS A 34 7.061 -4.687 0.866 1.00 0.00 O ATOM 551 CB LYS A 34 9.193 -5.125 -1.719 1.00 0.00 C ATOM 552 CG LYS A 34 9.216 -4.670 -3.172 1.00 0.00 C ATOM 553 CD LYS A 34 9.917 -5.688 -4.060 1.00 0.00 C ATOM 554 CE LYS A 34 9.228 -7.044 -3.998 1.00 0.00 C ATOM 555 NZ LYS A 34 10.008 -8.096 -4.706 1.00 0.00 N ATOM 0 H LYS A 34 10.711 -3.292 -1.006 1.00 0.00 H new ATOM 0 HA LYS A 34 7.924 -3.480 -1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.189 -5.471 -1.443 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.522 -5.979 -1.629 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.196 -4.519 -3.524 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.724 -3.709 -3.246 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.927 -5.330 -5.089 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.956 -5.791 -3.748 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.090 -7.334 -2.956 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.235 -6.967 -4.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.559 -9.022 -4.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.032 -7.885 -5.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.979 -8.118 -4.334 1.00 0.00 H new ATOM 569 N GLU A 35 9.224 -5.281 1.336 1.00 0.00 N ATOM 570 CA GLU A 35 8.958 -5.985 2.603 1.00 0.00 C ATOM 571 C GLU A 35 8.449 -5.022 3.690 1.00 0.00 C ATOM 572 O GLU A 35 7.665 -5.423 4.537 1.00 0.00 O ATOM 573 CB GLU A 35 10.219 -6.702 3.090 1.00 0.00 C ATOM 574 CG GLU A 35 11.380 -5.776 3.423 1.00 0.00 C ATOM 575 CD GLU A 35 12.566 -6.549 3.933 1.00 0.00 C ATOM 576 OE1 GLU A 35 12.489 -7.753 3.983 1.00 0.00 O ATOM 577 OE2 GLU A 35 13.587 -5.945 4.165 1.00 0.00 O ATOM 0 H GLU A 35 10.212 -5.264 1.083 1.00 0.00 H new ATOM 0 HA GLU A 35 8.177 -6.721 2.412 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.971 -7.286 3.976 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.541 -7.407 2.323 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.665 -5.213 2.535 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.066 -5.051 4.173 1.00 0.00 H new ATOM 584 N LYS A 36 8.846 -3.737 3.588 1.00 0.00 N ATOM 585 CA LYS A 36 8.360 -2.662 4.477 1.00 0.00 C ATOM 586 C LYS A 36 6.872 -2.379 4.251 1.00 0.00 C ATOM 587 O LYS A 36 6.121 -2.204 5.207 1.00 0.00 O ATOM 588 CB LYS A 36 9.171 -1.382 4.268 1.00 0.00 C ATOM 589 CG LYS A 36 10.571 -1.418 4.864 1.00 0.00 C ATOM 590 CD LYS A 36 11.336 -0.141 4.557 1.00 0.00 C ATOM 591 CE LYS A 36 12.782 -0.235 5.023 1.00 0.00 C ATOM 592 NZ LYS A 36 12.884 -0.345 6.504 1.00 0.00 N ATOM 0 H LYS A 36 9.513 -3.415 2.886 1.00 0.00 H new ATOM 0 HA LYS A 36 8.490 -3.003 5.504 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.250 -1.187 3.198 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.625 -0.546 4.705 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.505 -1.554 5.943 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.115 -2.275 4.467 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.309 0.052 3.485 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.849 0.703 5.045 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.256 -1.101 4.562 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.330 0.645 4.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.885 -0.321 6.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.381 0.450 6.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.458 -1.241 6.816 1.00 0.00 H new ATOM 606 N LEU A 37 6.480 -2.341 2.969 1.00 0.00 N ATOM 607 CA LEU A 37 5.078 -2.154 2.563 1.00 0.00 C ATOM 608 C LEU A 37 4.218 -3.328 3.048 1.00 0.00 C ATOM 609 O LEU A 37 3.101 -3.122 3.516 1.00 0.00 O ATOM 610 CB LEU A 37 4.975 -2.008 1.040 1.00 0.00 C ATOM 611 CG LEU A 37 5.529 -0.695 0.473 1.00 0.00 C ATOM 612 CD1 LEU A 37 5.631 -0.783 -1.044 1.00 0.00 C ATOM 613 CD2 LEU A 37 4.626 0.459 0.885 1.00 0.00 C ATOM 0 H LEU A 37 7.125 -2.439 2.185 1.00 0.00 H new ATOM 0 HA LEU A 37 4.705 -1.239 3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.505 -2.839 0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.927 -2.097 0.752 1.00 0.00 H new ATOM 0 HG LEU A 37 6.528 -0.520 0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.025 0.154 -1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.298 -1.600 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.642 -0.966 -1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.021 1.392 0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.622 0.292 0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.588 0.521 1.973 1.00 0.00 H new ATOM 625 N LYS A 38 4.786 -4.551 2.982 1.00 0.00 N ATOM 626 CA LYS A 38 4.150 -5.785 3.504 1.00 0.00 C ATOM 627 C LYS A 38 3.876 -5.685 5.023 1.00 0.00 C ATOM 628 O LYS A 38 2.770 -5.996 5.477 1.00 0.00 O ATOM 629 CB LYS A 38 5.026 -7.004 3.210 1.00 0.00 C ATOM 630 CG LYS A 38 5.112 -7.377 1.736 1.00 0.00 C ATOM 631 CD LYS A 38 6.009 -8.587 1.522 1.00 0.00 C ATOM 632 CE LYS A 38 6.258 -8.838 0.042 1.00 0.00 C ATOM 633 NZ LYS A 38 7.205 -9.964 -0.179 1.00 0.00 N ATOM 0 H LYS A 38 5.702 -4.713 2.564 1.00 0.00 H new ATOM 0 HA LYS A 38 3.193 -5.901 2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.032 -6.811 3.583 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.638 -7.857 3.766 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.114 -7.590 1.354 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.497 -6.531 1.167 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.960 -8.432 2.031 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.548 -9.467 1.970 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.312 -9.057 -0.453 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.656 -7.933 -0.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.348 -10.102 -1.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.116 -9.745 0.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.814 -10.833 0.237 1.00 0.00 H new ATOM 647 N LYS A 39 4.891 -5.218 5.786 1.00 0.00 N ATOM 648 CA LYS A 39 4.794 -5.071 7.251 1.00 0.00 C ATOM 649 C LYS A 39 3.696 -4.060 7.625 1.00 0.00 C ATOM 650 O LYS A 39 2.852 -4.357 8.462 1.00 0.00 O ATOM 651 CB LYS A 39 6.135 -4.636 7.841 1.00 0.00 C ATOM 652 CG LYS A 39 7.203 -5.722 7.846 1.00 0.00 C ATOM 653 CD LYS A 39 8.507 -5.216 8.443 1.00 0.00 C ATOM 654 CE LYS A 39 9.582 -6.291 8.421 1.00 0.00 C ATOM 655 NZ LYS A 39 10.870 -5.803 8.986 1.00 0.00 N ATOM 0 H LYS A 39 5.793 -4.935 5.404 1.00 0.00 H new ATOM 0 HA LYS A 39 4.529 -6.042 7.670 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.506 -3.781 7.276 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.975 -4.296 8.864 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.849 -6.580 8.417 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.378 -6.067 6.827 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.850 -4.345 7.885 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.337 -4.891 9.469 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.241 -7.156 8.990 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.739 -6.625 7.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.575 -6.566 8.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.209 -4.993 8.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.727 -5.508 9.973 1.00 0.00 H new ATOM 669 N VAL A 40 3.702 -2.910 6.923 1.00 0.00 N ATOM 670 CA VAL A 40 2.713 -1.816 7.088 1.00 0.00 C ATOM 671 C VAL A 40 1.277 -2.304 6.807 1.00 0.00 C ATOM 672 O VAL A 40 0.358 -2.040 7.595 1.00 0.00 O ATOM 673 CB VAL A 40 3.026 -0.627 6.160 1.00 0.00 C ATOM 674 CG1 VAL A 40 1.862 0.353 6.138 1.00 0.00 C ATOM 675 CG2 VAL A 40 4.302 0.074 6.604 1.00 0.00 C ATOM 0 H VAL A 40 4.405 -2.708 6.212 1.00 0.00 H new ATOM 0 HA VAL A 40 2.784 -1.490 8.126 1.00 0.00 H new ATOM 0 HB VAL A 40 3.175 -1.009 5.150 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.101 1.187 5.477 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.967 -0.153 5.775 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.683 0.728 7.146 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.508 0.911 5.937 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.179 0.443 7.622 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.134 -0.629 6.571 1.00 0.00 H new ATOM 685 N LEU A 41 1.115 -3.031 5.687 1.00 0.00 N ATOM 686 CA LEU A 41 -0.180 -3.587 5.271 1.00 0.00 C ATOM 687 C LEU A 41 -0.674 -4.616 6.301 1.00 0.00 C ATOM 688 O LEU A 41 -1.796 -4.502 6.757 1.00 0.00 O ATOM 689 CB LEU A 41 -0.089 -4.176 3.835 1.00 0.00 C ATOM 690 CG LEU A 41 -0.139 -3.111 2.682 1.00 0.00 C ATOM 691 CD1 LEU A 41 0.323 -3.710 1.343 1.00 0.00 C ATOM 692 CD2 LEU A 41 -1.555 -2.488 2.556 1.00 0.00 C ATOM 0 H LEU A 41 1.879 -3.248 5.047 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.919 -2.787 5.236 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.838 -4.742 3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.908 -4.882 3.694 1.00 0.00 H new ATOM 0 HG LEU A 41 0.556 -2.313 2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.276 -2.946 0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.348 -4.067 1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.327 -4.542 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.559 -1.754 1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.279 -3.272 2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.822 -1.999 3.493 1.00 0.00 H new ATOM 704 N ASN A 42 0.201 -5.552 6.736 1.00 0.00 N ATOM 705 CA ASN A 42 -0.143 -6.546 7.799 1.00 0.00 C ATOM 706 C ASN A 42 -0.399 -5.884 9.173 1.00 0.00 C ATOM 707 O ASN A 42 -1.248 -6.359 9.944 1.00 0.00 O ATOM 708 CB ASN A 42 0.939 -7.602 7.936 1.00 0.00 C ATOM 709 CG ASN A 42 0.894 -8.657 6.866 1.00 0.00 C ATOM 710 OD1 ASN A 42 -0.024 -9.486 6.820 1.00 0.00 O ATOM 711 ND2 ASN A 42 1.921 -8.683 6.056 1.00 0.00 N ATOM 0 H ASN A 42 1.150 -5.646 6.373 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.071 -7.020 7.479 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.914 -7.115 7.913 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.845 -8.081 8.910 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.991 -9.411 5.345 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.651 -7.976 6.136 1.00 0.00 H new ATOM 718 N GLU A 43 0.326 -4.783 9.457 1.00 0.00 N ATOM 719 CA GLU A 43 0.160 -4.029 10.709 1.00 0.00 C ATOM 720 C GLU A 43 -1.261 -3.463 10.817 1.00 0.00 C ATOM 721 O GLU A 43 -1.896 -3.537 11.877 1.00 0.00 O ATOM 722 CB GLU A 43 1.187 -2.898 10.798 1.00 0.00 C ATOM 723 CG GLU A 43 1.265 -2.225 12.161 1.00 0.00 C ATOM 724 CD GLU A 43 0.246 -1.127 12.288 1.00 0.00 C ATOM 725 OE1 GLU A 43 0.095 -0.372 11.359 1.00 0.00 O ATOM 726 OE2 GLU A 43 -0.462 -1.113 13.268 1.00 0.00 O ATOM 0 H GLU A 43 1.034 -4.398 8.831 1.00 0.00 H new ATOM 0 HA GLU A 43 0.324 -4.714 11.541 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.170 -3.296 10.546 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.946 -2.145 10.048 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.104 -2.966 12.944 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.264 -1.816 12.310 1.00 0.00 H new ATOM 733 N ARG A 44 -1.755 -2.925 9.693 1.00 0.00 N ATOM 734 CA ARG A 44 -3.107 -2.370 9.594 1.00 0.00 C ATOM 735 C ARG A 44 -4.186 -3.471 9.557 1.00 0.00 C ATOM 736 O ARG A 44 -5.319 -3.233 9.968 1.00 0.00 O ATOM 737 CB ARG A 44 -3.240 -1.421 8.411 1.00 0.00 C ATOM 738 CG ARG A 44 -2.456 -0.125 8.541 1.00 0.00 C ATOM 739 CD ARG A 44 -3.013 0.831 9.532 1.00 0.00 C ATOM 740 NE ARG A 44 -2.539 0.632 10.893 1.00 0.00 N ATOM 741 CZ ARG A 44 -3.119 1.160 11.989 1.00 0.00 C ATOM 742 NH1 ARG A 44 -4.167 1.946 11.889 1.00 0.00 N ATOM 743 NH2 ARG A 44 -2.589 0.885 13.169 1.00 0.00 N ATOM 0 H ARG A 44 -1.223 -2.864 8.825 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.275 -1.789 10.501 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.912 -1.939 7.510 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.294 -1.179 8.274 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.429 -0.362 8.820 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.417 0.362 7.566 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.765 1.845 9.219 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.100 0.751 9.524 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.710 0.053 11.027 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.554 2.165 10.971 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.593 2.337 12.729 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.764 0.288 13.231 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.005 1.270 14.017 1.00 0.00 H new ATOM 757 N MET A 45 -3.814 -4.678 9.098 1.00 0.00 N ATOM 758 CA MET A 45 -4.763 -5.795 8.896 1.00 0.00 C ATOM 759 C MET A 45 -4.962 -6.623 10.184 1.00 0.00 C ATOM 760 O MET A 45 -5.928 -7.397 10.277 1.00 0.00 O ATOM 761 CB MET A 45 -4.276 -6.696 7.763 1.00 0.00 C ATOM 762 CG MET A 45 -4.389 -6.080 6.376 1.00 0.00 C ATOM 763 SD MET A 45 -6.091 -5.684 5.928 1.00 0.00 S ATOM 764 CE MET A 45 -6.785 -7.325 5.753 1.00 0.00 C ATOM 0 H MET A 45 -2.851 -4.910 8.856 1.00 0.00 H new ATOM 0 HA MET A 45 -5.728 -5.364 8.630 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.234 -6.959 7.947 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.847 -7.624 7.782 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.786 -5.173 6.335 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.975 -6.771 5.641 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.107 -7.476 4.723 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.030 -8.068 6.010 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.641 -7.431 6.420 1.00 0.00 H new ATOM 774 N ASP A 46 -4.057 -6.454 11.175 1.00 0.00 N ATOM 775 CA ASP A 46 -4.130 -7.209 12.439 1.00 0.00 C ATOM 776 C ASP A 46 -5.474 -6.936 13.202 1.00 0.00 C ATOM 777 O ASP A 46 -6.238 -7.890 13.417 1.00 0.00 O ATOM 778 CB ASP A 46 -2.932 -6.858 13.326 1.00 0.00 C ATOM 779 CG ASP A 46 -1.616 -7.481 12.881 1.00 0.00 C ATOM 780 OD1 ASP A 46 -1.642 -8.322 12.014 1.00 0.00 O ATOM 781 OD2 ASP A 46 -0.587 -7.003 13.295 1.00 0.00 O ATOM 0 H ASP A 46 -3.273 -5.804 11.121 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.101 -8.272 12.198 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.818 -5.774 13.349 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.145 -7.178 14.346 1.00 0.00 H new ATOM 786 N PRO A 47 -5.822 -5.655 13.601 1.00 0.00 N ATOM 787 CA PRO A 47 -7.134 -5.356 14.272 1.00 0.00 C ATOM 788 C PRO A 47 -8.368 -5.557 13.358 1.00 0.00 C ATOM 789 O PRO A 47 -9.496 -5.633 13.851 1.00 0.00 O ATOM 790 CB PRO A 47 -6.995 -3.895 14.707 1.00 0.00 C ATOM 791 CG PRO A 47 -6.005 -3.316 13.755 1.00 0.00 C ATOM 792 CD PRO A 47 -5.004 -4.413 13.505 1.00 0.00 C ATOM 0 HA PRO A 47 -7.317 -6.043 15.098 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.950 -3.372 14.654 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.647 -3.819 15.737 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.487 -3.005 12.828 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.524 -2.433 14.177 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.536 -4.315 12.525 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.202 -4.402 14.244 1.00 0.00 H new ATOM 800 N ILE A 48 -8.138 -5.628 12.038 1.00 0.00 N ATOM 801 CA ILE A 48 -9.207 -5.764 11.017 1.00 0.00 C ATOM 802 C ILE A 48 -9.853 -7.180 11.038 1.00 0.00 C ATOM 803 O ILE A 48 -11.074 -7.327 10.831 1.00 0.00 O ATOM 804 CB ILE A 48 -8.669 -5.479 9.602 1.00 0.00 C ATOM 805 CG1 ILE A 48 -8.101 -4.059 9.523 1.00 0.00 C ATOM 806 CG2 ILE A 48 -9.765 -5.675 8.567 1.00 0.00 C ATOM 807 CD1 ILE A 48 -9.134 -2.976 9.727 1.00 0.00 C ATOM 0 H ILE A 48 -7.200 -5.593 11.638 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.969 -5.027 11.270 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.865 -6.184 9.388 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.319 -3.948 10.274 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.630 -3.920 8.550 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -9.368 -5.470 7.573 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -10.125 -6.703 8.609 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -10.589 -4.993 8.776 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -8.656 -1.999 9.657 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -9.904 -3.059 8.960 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -9.589 -3.088 10.711 1.00 0.00 H new ATOM 819 N LYS A 49 -9.026 -8.211 11.316 1.00 0.00 N ATOM 820 CA LYS A 49 -9.496 -9.613 11.408 1.00 0.00 C ATOM 821 C LYS A 49 -10.494 -9.771 12.582 1.00 0.00 C ATOM 822 O LYS A 49 -11.454 -10.543 12.490 1.00 0.00 O ATOM 823 CB LYS A 49 -8.316 -10.570 11.582 1.00 0.00 C ATOM 824 CG LYS A 49 -7.427 -10.703 10.352 1.00 0.00 C ATOM 825 CD LYS A 49 -6.365 -11.774 10.549 1.00 0.00 C ATOM 826 CE LYS A 49 -5.284 -11.312 11.516 1.00 0.00 C ATOM 827 NZ LYS A 49 -4.238 -12.351 11.720 1.00 0.00 N ATOM 0 H LYS A 49 -8.026 -8.099 11.481 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.007 -9.864 10.478 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.708 -10.229 12.420 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.699 -11.556 11.847 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.038 -10.950 9.484 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.947 -9.747 10.143 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.830 -12.684 10.928 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.914 -12.023 9.588 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.821 -10.402 11.135 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.738 -11.061 12.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.521 -11.996 12.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.674 -13.212 12.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.786 -12.572 10.810 1.00 0.00 H new ATOM 841 N LYS A 50 -10.249 -9.008 13.673 1.00 0.00 N ATOM 842 CA LYS A 50 -11.149 -8.936 14.841 1.00 0.00 C ATOM 843 C LYS A 50 -12.507 -8.306 14.465 1.00 0.00 C ATOM 844 O LYS A 50 -13.534 -8.634 15.073 1.00 0.00 O ATOM 845 CB LYS A 50 -10.495 -8.138 15.971 1.00 0.00 C ATOM 846 CG LYS A 50 -11.375 -7.950 17.200 1.00 0.00 C ATOM 847 CD LYS A 50 -10.654 -7.161 18.282 1.00 0.00 C ATOM 848 CE LYS A 50 -10.398 -5.726 17.844 1.00 0.00 C ATOM 849 NZ LYS A 50 -9.763 -4.919 18.921 1.00 0.00 N ATOM 0 H LYS A 50 -9.418 -8.424 13.765 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.331 -9.955 15.184 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.576 -8.642 16.271 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.211 -7.157 15.589 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.291 -7.431 16.918 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.669 -8.924 17.592 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.250 -7.164 19.195 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.707 -7.646 18.518 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.755 -5.725 16.964 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.340 -5.263 17.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.606 -3.949 18.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.387 -4.898 19.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.851 -5.346 19.183 1.00 0.00 H new ATOM 863 N LEU A 51 -12.511 -7.404 13.460 1.00 0.00 N ATOM 864 CA LEU A 51 -13.729 -6.646 13.089 1.00 0.00 C ATOM 865 C LEU A 51 -14.621 -7.519 12.181 1.00 0.00 C ATOM 866 O LEU A 51 -15.843 -7.333 12.125 1.00 0.00 O ATOM 867 CB LEU A 51 -13.359 -5.334 12.385 1.00 0.00 C ATOM 868 CG LEU A 51 -12.581 -4.329 13.245 1.00 0.00 C ATOM 869 CD1 LEU A 51 -12.194 -3.116 12.410 1.00 0.00 C ATOM 870 CD2 LEU A 51 -13.431 -3.914 14.437 1.00 0.00 C ATOM 0 H LEU A 51 -11.692 -7.183 12.894 1.00 0.00 H new ATOM 0 HA LEU A 51 -14.281 -6.394 13.995 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.765 -5.569 11.502 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -14.275 -4.857 12.035 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.667 -4.796 13.612 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -11.642 -2.409 13.029 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.568 -3.433 11.576 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -13.094 -2.636 12.026 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.878 -3.200 15.047 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.353 -3.452 14.083 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.672 -4.793 15.035 1.00 0.00 H new ATOM 882 N GLY A 52 -13.969 -8.458 11.469 1.00 0.00 N ATOM 883 CA GLY A 52 -14.652 -9.544 10.770 1.00 0.00 C ATOM 884 C GLY A 52 -15.294 -9.086 9.481 1.00 0.00 C ATOM 885 O GLY A 52 -16.246 -9.701 9.000 1.00 0.00 O ATOM 0 H GLY A 52 -12.954 -8.478 11.367 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.938 -10.339 10.555 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -15.415 -9.969 11.422 1.00 0.00 H new ATOM 889 N CYS A 53 -14.779 -7.979 8.940 1.00 0.00 N ATOM 890 CA CYS A 53 -15.170 -7.453 7.628 1.00 0.00 C ATOM 891 C CYS A 53 -14.573 -8.352 6.539 1.00 0.00 C ATOM 892 O CYS A 53 -13.484 -8.073 6.016 1.00 0.00 O ATOM 893 CB CYS A 53 -14.679 -5.999 7.493 1.00 0.00 C ATOM 894 SG CYS A 53 -12.919 -5.788 7.903 1.00 0.00 S ATOM 0 H CYS A 53 -14.069 -7.415 9.407 1.00 0.00 H new ATOM 0 HA CYS A 53 -16.255 -7.452 7.520 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -14.849 -5.659 6.471 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -15.275 -5.360 8.145 1.00 0.00 H new ATOM 899 N LYS A 54 -15.256 -9.475 6.241 1.00 0.00 N ATOM 900 CA LYS A 54 -14.725 -10.493 5.316 1.00 0.00 C ATOM 901 C LYS A 54 -14.165 -9.821 4.046 1.00 0.00 C ATOM 902 O LYS A 54 -13.192 -10.289 3.475 1.00 0.00 O ATOM 903 CB LYS A 54 -15.810 -11.507 4.947 1.00 0.00 C ATOM 904 CG LYS A 54 -15.334 -12.637 4.045 1.00 0.00 C ATOM 905 CD LYS A 54 -16.439 -13.655 3.804 1.00 0.00 C ATOM 906 CE LYS A 54 -15.986 -14.748 2.846 1.00 0.00 C ATOM 907 NZ LYS A 54 -17.051 -15.760 2.614 1.00 0.00 N ATOM 0 H LYS A 54 -16.173 -9.699 6.627 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.916 -11.024 5.817 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -16.216 -11.936 5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -16.627 -10.983 4.451 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -14.999 -12.228 3.092 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -14.475 -13.130 4.499 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -16.738 -14.101 4.752 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -17.317 -13.153 3.397 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.698 -14.300 1.895 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -15.100 -15.239 3.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -16.702 -16.486 1.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -17.309 -16.206 3.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -17.888 -15.296 2.206 1.00 0.00 H new ATOM 921 N ARG A 55 -14.803 -8.730 3.589 1.00 0.00 N ATOM 922 CA ARG A 55 -14.328 -7.946 2.434 1.00 0.00 C ATOM 923 C ARG A 55 -13.761 -6.618 2.940 1.00 0.00 C ATOM 924 O ARG A 55 -14.395 -5.939 3.749 1.00 0.00 O ATOM 925 CB ARG A 55 -15.400 -7.740 1.372 1.00 0.00 C ATOM 926 CG ARG A 55 -14.896 -7.163 0.059 1.00 0.00 C ATOM 927 CD ARG A 55 -14.170 -8.135 -0.799 1.00 0.00 C ATOM 928 NE ARG A 55 -13.921 -7.673 -2.154 1.00 0.00 N ATOM 929 CZ ARG A 55 -13.281 -8.387 -3.101 1.00 0.00 C ATOM 930 NH1 ARG A 55 -12.791 -9.578 -2.834 1.00 0.00 N ATOM 931 NH2 ARG A 55 -13.136 -7.848 -4.299 1.00 0.00 N ATOM 0 H ARG A 55 -15.659 -8.367 4.007 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.542 -8.512 1.934 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -15.881 -8.697 1.171 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -16.166 -7.077 1.773 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -15.744 -6.767 -0.499 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.236 -6.323 0.275 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.216 -8.374 -0.329 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.744 -9.061 -0.844 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.254 -6.743 -2.406 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.893 -9.974 -1.899 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.309 -10.106 -3.562 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.504 -6.915 -4.487 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.656 -8.365 -5.036 1.00 0.00 H new ATOM 945 N VAL A 56 -12.561 -6.264 2.464 1.00 0.00 N ATOM 946 CA VAL A 56 -11.838 -5.048 2.881 1.00 0.00 C ATOM 947 C VAL A 56 -11.356 -4.283 1.637 1.00 0.00 C ATOM 948 O VAL A 56 -11.113 -4.895 0.599 1.00 0.00 O ATOM 949 CB VAL A 56 -10.633 -5.372 3.783 1.00 0.00 C ATOM 950 CG1 VAL A 56 -11.101 -5.963 5.105 1.00 0.00 C ATOM 951 CG2 VAL A 56 -9.684 -6.331 3.079 1.00 0.00 C ATOM 0 H VAL A 56 -12.056 -6.817 1.771 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.530 -4.434 3.458 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.098 -4.445 3.989 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.236 -6.186 5.730 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.744 -5.247 5.617 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.659 -6.880 4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.838 -6.549 3.731 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.210 -7.257 2.844 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.324 -5.875 2.157 1.00 0.00 H new ATOM 961 N ARG A 57 -11.265 -2.945 1.737 1.00 0.00 N ATOM 962 CA ARG A 57 -10.746 -2.079 0.654 1.00 0.00 C ATOM 963 C ARG A 57 -9.675 -1.133 1.213 1.00 0.00 C ATOM 964 O ARG A 57 -9.909 -0.424 2.195 1.00 0.00 O ATOM 965 CB ARG A 57 -11.846 -1.316 -0.070 1.00 0.00 C ATOM 966 CG ARG A 57 -11.377 -0.494 -1.259 1.00 0.00 C ATOM 967 CD ARG A 57 -12.464 0.221 -1.976 1.00 0.00 C ATOM 968 NE ARG A 57 -13.382 -0.644 -2.698 1.00 0.00 N ATOM 969 CZ ARG A 57 -14.591 -0.266 -3.156 1.00 0.00 C ATOM 970 NH1 ARG A 57 -15.049 0.947 -2.938 1.00 0.00 N ATOM 971 NH2 ARG A 57 -15.317 -1.155 -3.811 1.00 0.00 N ATOM 0 H ARG A 57 -11.549 -2.430 2.570 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.291 -2.725 -0.097 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -12.597 -2.028 -0.412 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -12.337 -0.652 0.642 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.644 0.235 -0.915 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.866 -1.152 -1.962 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.031 0.810 -1.255 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.017 0.923 -2.680 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.090 -1.606 -2.870 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.487 1.618 -2.415 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -15.967 1.217 -3.292 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -14.958 -2.098 -3.958 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -16.237 -0.898 -4.170 1.00 0.00 H new ATOM 985 N ILE A 58 -8.507 -1.138 0.568 1.00 0.00 N ATOM 986 CA ILE A 58 -7.324 -0.373 0.981 1.00 0.00 C ATOM 987 C ILE A 58 -6.899 0.593 -0.151 1.00 0.00 C ATOM 988 O ILE A 58 -6.689 0.154 -1.281 1.00 0.00 O ATOM 989 CB ILE A 58 -6.147 -1.297 1.343 1.00 0.00 C ATOM 990 CG1 ILE A 58 -6.533 -2.225 2.497 1.00 0.00 C ATOM 991 CG2 ILE A 58 -4.918 -0.475 1.704 1.00 0.00 C ATOM 992 CD1 ILE A 58 -5.509 -3.300 2.784 1.00 0.00 C ATOM 0 H ILE A 58 -8.351 -1.687 -0.277 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.591 0.196 1.871 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.907 -1.910 0.474 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.681 -1.628 3.397 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.488 -2.698 2.267 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.095 -1.143 1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.633 0.146 0.855 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.145 0.162 2.559 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.853 -3.918 3.614 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.377 -3.922 1.899 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.558 -2.836 3.046 1.00 0.00 H new ATOM 1004 N SER A 59 -6.785 1.896 0.148 1.00 0.00 N ATOM 1005 CA SER A 59 -6.292 2.911 -0.791 1.00 0.00 C ATOM 1006 C SER A 59 -4.933 3.425 -0.283 1.00 0.00 C ATOM 1007 O SER A 59 -4.787 3.722 0.911 1.00 0.00 O ATOM 1008 CB SER A 59 -7.289 4.045 -0.933 1.00 0.00 C ATOM 1009 OG SER A 59 -8.456 3.640 -1.592 1.00 0.00 O ATOM 0 H SER A 59 -7.036 2.277 1.060 1.00 0.00 H new ATOM 0 HA SER A 59 -6.167 2.470 -1.780 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.545 4.428 0.055 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.828 4.865 -1.483 1.00 0.00 H new ATOM 0 HG SER A 59 -9.072 4.399 -1.662 1.00 0.00 H new ATOM 1015 N ILE A 60 -3.921 3.459 -1.163 1.00 0.00 N ATOM 1016 CA ILE A 60 -2.564 3.912 -0.808 1.00 0.00 C ATOM 1017 C ILE A 60 -2.177 5.149 -1.640 1.00 0.00 C ATOM 1018 O ILE A 60 -2.329 5.156 -2.864 1.00 0.00 O ATOM 1019 CB ILE A 60 -1.518 2.804 -1.026 1.00 0.00 C ATOM 1020 CG1 ILE A 60 -1.815 1.605 -0.123 1.00 0.00 C ATOM 1021 CG2 ILE A 60 -0.118 3.337 -0.764 1.00 0.00 C ATOM 1022 CD1 ILE A 60 -0.873 0.440 -0.325 1.00 0.00 C ATOM 0 H ILE A 60 -4.018 3.175 -2.138 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.576 4.169 0.251 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.572 2.475 -2.064 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.764 1.925 0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.836 1.270 -0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.610 2.541 -0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.091 4.161 -1.446 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.050 3.691 0.265 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.147 -0.371 0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.940 0.092 -1.356 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.148 0.757 -0.115 1.00 0.00 H new ATOM 1034 N ARG A 61 -1.694 6.198 -0.949 1.00 0.00 N ATOM 1035 CA ARG A 61 -1.205 7.440 -1.561 1.00 0.00 C ATOM 1036 C ARG A 61 0.278 7.559 -1.221 1.00 0.00 C ATOM 1037 O ARG A 61 0.649 7.428 -0.051 1.00 0.00 O ATOM 1038 CB ARG A 61 -1.998 8.671 -1.150 1.00 0.00 C ATOM 1039 CG ARG A 61 -1.517 9.977 -1.764 1.00 0.00 C ATOM 1040 CD ARG A 61 -2.271 11.177 -1.321 1.00 0.00 C ATOM 1041 NE ARG A 61 -2.115 11.499 0.089 1.00 0.00 N ATOM 1042 CZ ARG A 61 -1.151 12.296 0.590 1.00 0.00 C ATOM 1043 NH1 ARG A 61 -0.235 12.824 -0.192 1.00 0.00 N ATOM 1044 NH2 ARG A 61 -1.137 12.515 1.894 1.00 0.00 N ATOM 0 H ARG A 61 -1.633 6.203 0.069 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.344 7.391 -2.641 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.042 8.521 -1.424 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.963 8.762 -0.064 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.464 10.114 -1.519 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.584 9.901 -2.849 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.949 12.033 -1.914 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.330 11.024 -1.531 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.782 11.093 0.745 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.248 12.632 -1.194 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.488 13.425 0.203 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.844 12.085 2.491 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.420 13.114 2.303 1.00 0.00 H new ATOM 1058 N VAL A 62 1.123 7.796 -2.226 1.00 0.00 N ATOM 1059 CA VAL A 62 2.573 7.909 -2.024 1.00 0.00 C ATOM 1060 C VAL A 62 3.016 9.368 -2.266 1.00 0.00 C ATOM 1061 O VAL A 62 2.507 10.037 -3.176 1.00 0.00 O ATOM 1062 CB VAL A 62 3.358 6.967 -2.957 1.00 0.00 C ATOM 1063 CG1 VAL A 62 3.315 7.480 -4.389 1.00 0.00 C ATOM 1064 CG2 VAL A 62 4.797 6.827 -2.485 1.00 0.00 C ATOM 0 H VAL A 62 0.828 7.914 -3.195 1.00 0.00 H new ATOM 0 HA VAL A 62 2.791 7.616 -0.997 1.00 0.00 H new ATOM 0 HB VAL A 62 2.889 5.983 -2.928 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.874 6.803 -5.035 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.280 7.531 -4.726 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.760 8.474 -4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.336 6.158 -3.156 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.277 7.806 -2.485 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.810 6.417 -1.475 1.00 0.00 H new ATOM 1074 N LYS A 63 3.945 9.872 -1.434 1.00 0.00 N ATOM 1075 CA LYS A 63 4.399 11.272 -1.511 1.00 0.00 C ATOM 1076 C LYS A 63 5.511 11.359 -2.554 1.00 0.00 C ATOM 1077 O LYS A 63 6.480 10.590 -2.507 1.00 0.00 O ATOM 1078 CB LYS A 63 4.891 11.777 -0.154 1.00 0.00 C ATOM 1079 CG LYS A 63 5.319 13.238 -0.144 1.00 0.00 C ATOM 1080 CD LYS A 63 5.772 13.673 1.242 1.00 0.00 C ATOM 1081 CE LYS A 63 6.190 15.136 1.255 1.00 0.00 C ATOM 1082 NZ LYS A 63 6.630 15.577 2.607 1.00 0.00 N ATOM 0 H LYS A 63 4.397 9.329 -0.699 1.00 0.00 H new ATOM 0 HA LYS A 63 3.562 11.907 -1.801 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.098 11.638 0.581 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.733 11.162 0.165 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.130 13.386 -0.857 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.489 13.864 -0.471 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.963 13.518 1.956 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.607 13.051 1.565 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.001 15.288 0.542 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.355 15.755 0.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.317 16.555 2.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.213 14.954 3.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.667 15.530 2.667 1.00 0.00 H new ATOM 1096 N HIS A 64 5.352 12.307 -3.483 1.00 0.00 N ATOM 1097 CA HIS A 64 6.323 12.569 -4.558 1.00 0.00 C ATOM 1098 C HIS A 64 7.183 13.809 -4.331 1.00 0.00 C ATOM 1099 O HIS A 64 6.731 14.826 -3.783 1.00 0.00 O ATOM 1100 CB HIS A 64 5.597 12.701 -5.901 1.00 0.00 C ATOM 1101 CG HIS A 64 4.833 11.474 -6.294 1.00 0.00 C ATOM 1102 ND1 HIS A 64 5.446 10.346 -6.797 1.00 0.00 N ATOM 1103 CD2 HIS A 64 3.507 11.201 -6.262 1.00 0.00 C ATOM 1104 CE1 HIS A 64 4.529 9.429 -7.055 1.00 0.00 C ATOM 1105 NE2 HIS A 64 3.346 9.924 -6.740 1.00 0.00 N ATOM 0 H HIS A 64 4.539 12.922 -3.513 1.00 0.00 H new ATOM 0 HA HIS A 64 6.999 11.714 -4.561 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.910 13.546 -5.851 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.327 12.929 -6.678 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.724 11.863 -5.924 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.716 8.443 -7.455 1.00 0.00 H new ATOM 0 HE2 HIS A 64 2.456 9.436 -6.836 1.00 0.00 H new ATOM 1113 N SER A 65 8.437 13.673 -4.784 1.00 0.00 N ATOM 1114 CA SER A 65 9.510 14.641 -4.593 1.00 0.00 C ATOM 1115 C SER A 65 9.170 15.981 -5.280 1.00 0.00 C ATOM 1116 O SER A 65 9.410 17.056 -4.715 1.00 0.00 O ATOM 1117 CB SER A 65 10.813 14.079 -5.126 1.00 0.00 C ATOM 1118 OG SER A 65 11.249 12.970 -4.389 1.00 0.00 O ATOM 0 H SER A 65 8.736 12.853 -5.312 1.00 0.00 H new ATOM 0 HA SER A 65 9.621 14.833 -3.526 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.684 13.792 -6.170 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.579 14.854 -5.101 1.00 0.00 H new ATOM 0 HG SER A 65 11.176 12.162 -4.939 1.00 0.00 H new ATOM 1124 N ASP A 66 8.594 15.907 -6.502 1.00 0.00 N ATOM 1125 CA ASP A 66 8.291 17.109 -7.319 1.00 0.00 C ATOM 1126 C ASP A 66 7.243 16.781 -8.401 1.00 0.00 C ATOM 1127 O ASP A 66 6.918 15.609 -8.616 1.00 0.00 O ATOM 1128 CB ASP A 66 9.562 17.660 -7.969 1.00 0.00 C ATOM 1129 CG ASP A 66 9.493 19.138 -8.332 1.00 0.00 C ATOM 1130 OD1 ASP A 66 8.471 19.739 -8.098 1.00 0.00 O ATOM 1131 OD2 ASP A 66 10.506 19.688 -8.692 1.00 0.00 O ATOM 0 H ASP A 66 8.329 15.028 -6.946 1.00 0.00 H new ATOM 0 HA ASP A 66 7.883 17.871 -6.656 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.400 17.504 -7.290 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.772 17.086 -8.872 1.00 0.00 H new ATOM 1136 N ALA A 67 6.732 17.839 -9.073 1.00 0.00 N ATOM 1137 CA ALA A 67 5.759 17.728 -10.181 1.00 0.00 C ATOM 1138 C ALA A 67 6.362 17.017 -11.403 1.00 0.00 C ATOM 1139 O ALA A 67 5.688 16.236 -12.082 1.00 0.00 O ATOM 1140 CB ALA A 67 5.239 19.124 -10.573 1.00 0.00 C ATOM 0 H ALA A 67 6.987 18.803 -8.858 1.00 0.00 H new ATOM 0 HA ALA A 67 4.925 17.121 -9.830 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.523 19.030 -11.390 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.751 19.585 -9.714 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.074 19.747 -10.893 1.00 0.00 H new ATOM 1146 N ALA A 68 7.640 17.302 -11.673 1.00 0.00 N ATOM 1147 CA ALA A 68 8.413 16.611 -12.715 1.00 0.00 C ATOM 1148 C ALA A 68 8.768 15.174 -12.292 1.00 0.00 C ATOM 1149 O ALA A 68 8.642 14.230 -13.081 1.00 0.00 O ATOM 1150 CB ALA A 68 9.684 17.401 -13.023 1.00 0.00 C ATOM 0 H ALA A 68 8.170 18.018 -11.176 1.00 0.00 H new ATOM 0 HA ALA A 68 7.797 16.549 -13.612 1.00 0.00 H new ATOM 0 HB1 ALA A 68 10.254 16.886 -13.796 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.417 18.398 -13.373 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.289 17.484 -12.120 1.00 0.00 H new ATOM 1156 N GLU A 69 9.197 15.037 -11.029 1.00 0.00 N ATOM 1157 CA GLU A 69 9.682 13.765 -10.468 1.00 0.00 C ATOM 1158 C GLU A 69 8.556 12.725 -10.311 1.00 0.00 C ATOM 1159 O GLU A 69 8.783 11.547 -10.570 1.00 0.00 O ATOM 1160 CB GLU A 69 10.355 14.010 -9.115 1.00 0.00 C ATOM 1161 CG GLU A 69 11.688 14.740 -9.200 1.00 0.00 C ATOM 1162 CD GLU A 69 12.673 13.982 -10.046 1.00 0.00 C ATOM 1163 OE1 GLU A 69 12.873 12.819 -9.792 1.00 0.00 O ATOM 1164 OE2 GLU A 69 13.142 14.532 -11.014 1.00 0.00 O ATOM 0 H GLU A 69 9.218 15.809 -10.363 1.00 0.00 H new ATOM 0 HA GLU A 69 10.406 13.358 -11.174 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.678 14.587 -8.485 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.510 13.051 -8.621 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.534 15.734 -9.620 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.095 14.876 -8.198 1.00 0.00 H new ATOM 1171 N GLU A 70 7.338 13.179 -9.929 1.00 0.00 N ATOM 1172 CA GLU A 70 6.208 12.269 -9.607 1.00 0.00 C ATOM 1173 C GLU A 70 5.864 11.294 -10.754 1.00 0.00 C ATOM 1174 O GLU A 70 5.358 10.189 -10.511 1.00 0.00 O ATOM 1175 CB GLU A 70 4.966 13.086 -9.241 1.00 0.00 C ATOM 1176 CG GLU A 70 4.347 13.842 -10.408 1.00 0.00 C ATOM 1177 CD GLU A 70 3.175 14.672 -9.961 1.00 0.00 C ATOM 1178 OE1 GLU A 70 2.895 14.685 -8.786 1.00 0.00 O ATOM 1179 OE2 GLU A 70 2.630 15.381 -10.773 1.00 0.00 O ATOM 0 H GLU A 70 7.111 14.169 -9.836 1.00 0.00 H new ATOM 0 HA GLU A 70 6.530 11.664 -8.760 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.217 12.417 -8.819 1.00 0.00 H new ATOM 0 HB3 GLU A 70 5.232 13.800 -8.461 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.098 14.486 -10.866 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.024 13.135 -11.172 1.00 0.00 H new ATOM 1186 N LYS A 71 6.177 11.710 -11.991 1.00 0.00 N ATOM 1187 CA LYS A 71 5.931 10.921 -13.213 1.00 0.00 C ATOM 1188 C LYS A 71 6.759 9.613 -13.239 1.00 0.00 C ATOM 1189 O LYS A 71 6.239 8.555 -13.581 1.00 0.00 O ATOM 1190 CB LYS A 71 6.242 11.759 -14.454 1.00 0.00 C ATOM 1191 CG LYS A 71 5.272 12.909 -14.695 1.00 0.00 C ATOM 1192 CD LYS A 71 5.657 13.706 -15.932 1.00 0.00 C ATOM 1193 CE LYS A 71 4.720 14.887 -16.144 1.00 0.00 C ATOM 1194 NZ LYS A 71 5.092 15.685 -17.343 1.00 0.00 N ATOM 0 H LYS A 71 6.613 12.614 -12.175 1.00 0.00 H new ATOM 0 HA LYS A 71 4.877 10.644 -13.213 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.250 12.163 -14.362 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.239 11.107 -15.328 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.262 12.517 -14.812 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.260 13.566 -13.825 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.681 14.065 -15.831 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.631 13.057 -16.808 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.698 14.524 -16.253 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.739 15.527 -15.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.429 16.479 -17.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.058 16.053 -17.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.050 15.081 -18.189 1.00 0.00 H new ATOM 1208 N LYS A 72 8.065 9.711 -12.958 1.00 0.00 N ATOM 1209 CA LYS A 72 8.964 8.542 -12.891 1.00 0.00 C ATOM 1210 C LYS A 72 8.714 7.736 -11.602 1.00 0.00 C ATOM 1211 O LYS A 72 8.665 6.496 -11.636 1.00 0.00 O ATOM 1212 CB LYS A 72 10.427 8.981 -12.965 1.00 0.00 C ATOM 1213 CG LYS A 72 10.850 9.531 -14.320 1.00 0.00 C ATOM 1214 CD LYS A 72 12.319 9.930 -14.322 1.00 0.00 C ATOM 1215 CE LYS A 72 12.735 10.512 -15.664 1.00 0.00 C ATOM 1216 NZ LYS A 72 14.163 10.931 -15.671 1.00 0.00 N ATOM 0 H LYS A 72 8.531 10.599 -12.771 1.00 0.00 H new ATOM 0 HA LYS A 72 8.750 7.902 -13.747 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.604 9.743 -12.206 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.062 8.130 -12.717 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.674 8.780 -15.090 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.236 10.396 -14.571 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.500 10.662 -13.535 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.934 9.059 -14.095 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.570 9.772 -16.447 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.104 11.370 -15.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.406 11.322 -16.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.316 11.656 -14.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.767 10.108 -15.473 1.00 0.00 H new ATOM 1230 N GLU A 73 8.532 8.480 -10.480 1.00 0.00 N ATOM 1231 CA GLU A 73 8.426 7.922 -9.111 1.00 0.00 C ATOM 1232 C GLU A 73 7.160 7.071 -8.929 1.00 0.00 C ATOM 1233 O GLU A 73 7.193 6.057 -8.244 1.00 0.00 O ATOM 1234 CB GLU A 73 8.444 9.047 -8.073 1.00 0.00 C ATOM 1235 CG GLU A 73 9.805 9.697 -7.875 1.00 0.00 C ATOM 1236 CD GLU A 73 9.736 10.818 -6.876 1.00 0.00 C ATOM 1237 OE1 GLU A 73 8.655 11.132 -6.439 1.00 0.00 O ATOM 1238 OE2 GLU A 73 10.771 11.285 -6.463 1.00 0.00 O ATOM 0 H GLU A 73 8.454 9.497 -10.504 1.00 0.00 H new ATOM 0 HA GLU A 73 9.289 7.273 -8.963 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.729 9.813 -8.373 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.102 8.649 -7.118 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.522 8.949 -7.536 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.170 10.079 -8.828 1.00 0.00 H new ATOM 1245 N ALA A 74 6.073 7.498 -9.581 1.00 0.00 N ATOM 1246 CA ALA A 74 4.800 6.758 -9.628 1.00 0.00 C ATOM 1247 C ALA A 74 4.934 5.399 -10.340 1.00 0.00 C ATOM 1248 O ALA A 74 4.466 4.378 -9.836 1.00 0.00 O ATOM 1249 CB ALA A 74 3.758 7.620 -10.337 1.00 0.00 C ATOM 0 H ALA A 74 6.049 8.377 -10.098 1.00 0.00 H new ATOM 0 HA ALA A 74 4.492 6.547 -8.604 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.810 7.084 -10.379 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.624 8.553 -9.789 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.096 7.840 -11.350 1.00 0.00 H new ATOM 1255 N LYS A 75 5.583 5.421 -11.512 1.00 0.00 N ATOM 1256 CA LYS A 75 5.871 4.209 -12.306 1.00 0.00 C ATOM 1257 C LYS A 75 6.730 3.213 -11.503 1.00 0.00 C ATOM 1258 O LYS A 75 6.459 2.007 -11.503 1.00 0.00 O ATOM 1259 CB LYS A 75 6.575 4.577 -13.613 1.00 0.00 C ATOM 1260 CG LYS A 75 5.689 5.292 -14.625 1.00 0.00 C ATOM 1261 CD LYS A 75 6.455 5.617 -15.899 1.00 0.00 C ATOM 1262 CE LYS A 75 5.578 6.355 -16.900 1.00 0.00 C ATOM 1263 NZ LYS A 75 6.324 6.709 -18.138 1.00 0.00 N ATOM 0 H LYS A 75 5.926 6.280 -11.941 1.00 0.00 H new ATOM 0 HA LYS A 75 4.921 3.730 -12.542 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.431 5.213 -13.384 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.966 3.668 -14.069 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.829 4.666 -14.865 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.302 6.212 -14.187 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.326 6.226 -15.657 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.826 4.695 -16.348 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.720 5.734 -17.158 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.187 7.263 -16.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.691 7.210 -18.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.128 7.323 -17.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.675 5.842 -18.592 1.00 0.00 H new ATOM 1277 N LYS A 76 7.759 3.737 -10.818 1.00 0.00 N ATOM 1278 CA LYS A 76 8.700 2.923 -10.029 1.00 0.00 C ATOM 1279 C LYS A 76 7.956 2.217 -8.878 1.00 0.00 C ATOM 1280 O LYS A 76 8.043 0.998 -8.726 1.00 0.00 O ATOM 1281 CB LYS A 76 9.836 3.787 -9.478 1.00 0.00 C ATOM 1282 CG LYS A 76 10.806 4.300 -10.534 1.00 0.00 C ATOM 1283 CD LYS A 76 11.885 5.176 -9.916 1.00 0.00 C ATOM 1284 CE LYS A 76 12.809 5.752 -10.979 1.00 0.00 C ATOM 1285 NZ LYS A 76 13.854 6.632 -10.391 1.00 0.00 N ATOM 0 H LYS A 76 7.963 4.736 -10.795 1.00 0.00 H new ATOM 0 HA LYS A 76 9.134 2.167 -10.684 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.406 4.640 -8.953 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.393 3.207 -8.742 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.269 3.456 -11.046 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.260 4.869 -11.287 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.420 5.988 -9.357 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.467 4.591 -9.204 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.286 4.938 -11.525 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.222 6.319 -11.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.462 7.003 -11.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.401 7.424 -9.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.431 6.085 -9.721 1.00 0.00 H new ATOM 1299 N PHE A 77 7.174 3.014 -8.124 1.00 0.00 N ATOM 1300 CA PHE A 77 6.464 2.575 -6.900 1.00 0.00 C ATOM 1301 C PHE A 77 5.310 1.628 -7.269 1.00 0.00 C ATOM 1302 O PHE A 77 5.013 0.686 -6.538 1.00 0.00 O ATOM 1303 CB PHE A 77 5.954 3.830 -6.126 1.00 0.00 C ATOM 1304 CG PHE A 77 5.569 3.605 -4.659 1.00 0.00 C ATOM 1305 CD1 PHE A 77 6.554 3.488 -3.675 1.00 0.00 C ATOM 1306 CD2 PHE A 77 4.237 3.545 -4.257 1.00 0.00 C ATOM 1307 CE1 PHE A 77 6.211 3.320 -2.347 1.00 0.00 C ATOM 1308 CE2 PHE A 77 3.897 3.374 -2.928 1.00 0.00 C ATOM 1309 CZ PHE A 77 4.882 3.261 -1.976 1.00 0.00 C ATOM 0 H PHE A 77 7.013 3.996 -8.349 1.00 0.00 H new ATOM 0 HA PHE A 77 7.145 2.023 -6.251 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.729 4.595 -6.164 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.086 4.229 -6.652 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.596 3.529 -3.956 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.455 3.634 -4.997 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.984 3.235 -1.598 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.858 3.329 -2.638 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.617 3.126 -0.938 1.00 0.00 H new ATOM 1319 N ALA A 78 4.672 1.916 -8.415 1.00 0.00 N ATOM 1320 CA ALA A 78 3.568 1.129 -8.954 1.00 0.00 C ATOM 1321 C ALA A 78 3.999 -0.319 -9.186 1.00 0.00 C ATOM 1322 O ALA A 78 3.271 -1.254 -8.843 1.00 0.00 O ATOM 1323 CB ALA A 78 3.052 1.770 -10.248 1.00 0.00 C ATOM 0 H ALA A 78 4.918 2.717 -8.997 1.00 0.00 H new ATOM 0 HA ALA A 78 2.755 1.117 -8.229 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.228 1.177 -10.644 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.703 2.781 -10.039 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.857 1.808 -10.982 1.00 0.00 H new ATOM 1329 N ALA A 79 5.213 -0.482 -9.744 1.00 0.00 N ATOM 1330 CA ALA A 79 5.835 -1.796 -9.967 1.00 0.00 C ATOM 1331 C ALA A 79 6.102 -2.516 -8.631 1.00 0.00 C ATOM 1332 O ALA A 79 5.867 -3.722 -8.515 1.00 0.00 O ATOM 1333 CB ALA A 79 7.132 -1.623 -10.770 1.00 0.00 C ATOM 0 H ALA A 79 5.791 0.299 -10.054 1.00 0.00 H new ATOM 0 HA ALA A 79 5.147 -2.419 -10.540 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.591 -2.598 -10.934 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.906 -1.162 -11.731 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.821 -0.986 -10.215 1.00 0.00 H new ATOM 1339 N ILE A 80 6.561 -1.741 -7.623 1.00 0.00 N ATOM 1340 CA ILE A 80 6.839 -2.239 -6.258 1.00 0.00 C ATOM 1341 C ILE A 80 5.555 -2.815 -5.610 1.00 0.00 C ATOM 1342 O ILE A 80 5.550 -3.965 -5.166 1.00 0.00 O ATOM 1343 CB ILE A 80 7.411 -1.130 -5.356 1.00 0.00 C ATOM 1344 CG1 ILE A 80 8.791 -0.696 -5.854 1.00 0.00 C ATOM 1345 CG2 ILE A 80 7.486 -1.604 -3.914 1.00 0.00 C ATOM 1346 CD1 ILE A 80 9.825 -1.799 -5.827 1.00 0.00 C ATOM 0 H ILE A 80 6.750 -0.745 -7.735 1.00 0.00 H new ATOM 0 HA ILE A 80 7.583 -3.030 -6.352 1.00 0.00 H new ATOM 0 HB ILE A 80 6.744 -0.269 -5.399 1.00 0.00 H new ATOM 0 HG12 ILE A 80 8.698 -0.323 -6.874 1.00 0.00 H new ATOM 0 HG13 ILE A 80 9.143 0.134 -5.242 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.892 -0.808 -3.290 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.487 -1.865 -3.564 1.00 0.00 H new ATOM 0 HG23 ILE A 80 8.132 -2.480 -3.852 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.777 -1.415 -6.194 1.00 0.00 H new ATOM 0 HD12 ILE A 80 9.948 -2.157 -4.805 1.00 0.00 H new ATOM 0 HD13 ILE A 80 9.496 -2.621 -6.462 1.00 0.00 H new ATOM 1358 N LEU A 81 4.463 -2.020 -5.616 1.00 0.00 N ATOM 1359 CA LEU A 81 3.163 -2.430 -5.031 1.00 0.00 C ATOM 1360 C LEU A 81 2.536 -3.615 -5.797 1.00 0.00 C ATOM 1361 O LEU A 81 1.949 -4.500 -5.177 1.00 0.00 O ATOM 1362 CB LEU A 81 2.194 -1.242 -5.014 1.00 0.00 C ATOM 1363 CG LEU A 81 2.448 -0.207 -3.910 1.00 0.00 C ATOM 1364 CD1 LEU A 81 1.528 0.991 -4.094 1.00 0.00 C ATOM 1365 CD2 LEU A 81 2.230 -0.851 -2.549 1.00 0.00 C ATOM 0 H LEU A 81 4.454 -1.084 -6.022 1.00 0.00 H new ATOM 0 HA LEU A 81 3.351 -2.760 -4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.244 -0.739 -5.980 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.179 -1.623 -4.906 1.00 0.00 H new ATOM 0 HG LEU A 81 3.478 0.143 -3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.717 1.719 -3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.718 1.450 -5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.490 0.663 -4.044 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.411 -0.115 -1.765 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.204 -1.213 -2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.919 -1.687 -2.428 1.00 0.00 H new ATOM 1377 N ASN A 82 2.693 -3.620 -7.135 1.00 0.00 N ATOM 1378 CA ASN A 82 2.199 -4.715 -8.009 1.00 0.00 C ATOM 1379 C ASN A 82 2.831 -6.056 -7.591 1.00 0.00 C ATOM 1380 O ASN A 82 2.151 -7.088 -7.522 1.00 0.00 O ATOM 1381 CB ASN A 82 2.474 -4.436 -9.475 1.00 0.00 C ATOM 1382 CG ASN A 82 1.573 -3.392 -10.074 1.00 0.00 C ATOM 1383 OD1 ASN A 82 0.508 -3.078 -9.530 1.00 0.00 O ATOM 1384 ND2 ASN A 82 1.953 -2.915 -11.231 1.00 0.00 N ATOM 0 H ASN A 82 3.163 -2.871 -7.644 1.00 0.00 H new ATOM 0 HA ASN A 82 1.118 -4.774 -7.885 1.00 0.00 H new ATOM 0 HB2 ASN A 82 3.510 -4.115 -9.586 1.00 0.00 H new ATOM 0 HB3 ASN A 82 2.365 -5.363 -10.038 1.00 0.00 H new ATOM 0 HD21 ASN A 82 1.360 -2.251 -11.728 1.00 0.00 H new ATOM 0 HD22 ASN A 82 2.842 -3.207 -11.636 1.00 0.00 H new ATOM 1391 N LYS A 83 4.139 -6.007 -7.290 1.00 0.00 N ATOM 1392 CA LYS A 83 4.898 -7.164 -6.802 1.00 0.00 C ATOM 1393 C LYS A 83 4.473 -7.543 -5.369 1.00 0.00 C ATOM 1394 O LYS A 83 4.247 -8.719 -5.092 1.00 0.00 O ATOM 1395 CB LYS A 83 6.400 -6.876 -6.848 1.00 0.00 C ATOM 1396 CG LYS A 83 6.984 -6.812 -8.254 1.00 0.00 C ATOM 1397 CD LYS A 83 8.478 -6.526 -8.219 1.00 0.00 C ATOM 1398 CE LYS A 83 9.056 -6.424 -9.623 1.00 0.00 C ATOM 1399 NZ LYS A 83 10.513 -6.127 -9.605 1.00 0.00 N ATOM 0 H LYS A 83 4.699 -5.159 -7.380 1.00 0.00 H new ATOM 0 HA LYS A 83 4.680 -8.008 -7.456 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.592 -5.929 -6.344 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.924 -7.648 -6.285 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.804 -7.756 -8.768 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.476 -6.036 -8.826 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.660 -5.596 -7.681 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.989 -7.317 -7.670 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.883 -7.359 -10.155 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.533 -5.642 -10.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.867 -6.066 -10.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.677 -5.222 -9.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.016 -6.885 -9.101 1.00 0.00 H new ATOM 1413 N VAL A 84 4.294 -6.519 -4.506 1.00 0.00 N ATOM 1414 CA VAL A 84 3.945 -6.693 -3.075 1.00 0.00 C ATOM 1415 C VAL A 84 2.551 -7.340 -2.911 1.00 0.00 C ATOM 1416 O VAL A 84 2.407 -8.342 -2.207 1.00 0.00 O ATOM 1417 CB VAL A 84 3.967 -5.350 -2.321 1.00 0.00 C ATOM 1418 CG1 VAL A 84 3.311 -5.496 -0.956 1.00 0.00 C ATOM 1419 CG2 VAL A 84 5.393 -4.845 -2.173 1.00 0.00 C ATOM 0 H VAL A 84 4.388 -5.542 -4.782 1.00 0.00 H new ATOM 0 HA VAL A 84 4.700 -7.353 -2.648 1.00 0.00 H new ATOM 0 HB VAL A 84 3.401 -4.620 -2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.335 -4.538 -0.436 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.276 -5.815 -1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.851 -6.240 -0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.389 -3.895 -1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.981 -5.574 -1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.833 -4.703 -3.160 1.00 0.00 H new ATOM 1429 N PHE A 85 1.557 -6.765 -3.607 1.00 0.00 N ATOM 1430 CA PHE A 85 0.144 -7.197 -3.527 1.00 0.00 C ATOM 1431 C PHE A 85 -0.060 -8.628 -4.065 1.00 0.00 C ATOM 1432 O PHE A 85 -0.858 -9.396 -3.504 1.00 0.00 O ATOM 1433 CB PHE A 85 -0.751 -6.221 -4.293 1.00 0.00 C ATOM 1434 CG PHE A 85 -1.009 -4.934 -3.564 1.00 0.00 C ATOM 1435 CD1 PHE A 85 -1.548 -4.939 -2.287 1.00 0.00 C ATOM 1436 CD2 PHE A 85 -0.712 -3.715 -4.154 1.00 0.00 C ATOM 1437 CE1 PHE A 85 -1.787 -3.756 -1.614 1.00 0.00 C ATOM 1438 CE2 PHE A 85 -0.948 -2.529 -3.484 1.00 0.00 C ATOM 1439 CZ PHE A 85 -1.486 -2.549 -2.214 1.00 0.00 C ATOM 0 H PHE A 85 1.707 -5.984 -4.245 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.133 -7.199 -2.473 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.288 -5.997 -5.254 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.704 -6.706 -4.503 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.784 -5.880 -1.812 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.291 -3.692 -5.148 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.209 -3.775 -0.620 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.711 -1.586 -3.955 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.671 -1.623 -1.690 1.00 0.00 H new ATOM 1449 N ALA A 86 0.677 -8.980 -5.132 1.00 0.00 N ATOM 1450 CA ALA A 86 0.687 -10.350 -5.686 1.00 0.00 C ATOM 1451 C ALA A 86 1.303 -11.363 -4.700 1.00 0.00 C ATOM 1452 O ALA A 86 0.955 -12.548 -4.721 1.00 0.00 O ATOM 1453 CB ALA A 86 1.417 -10.379 -7.030 1.00 0.00 C ATOM 0 H ALA A 86 1.280 -8.329 -5.634 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.349 -10.649 -5.848 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.415 -11.396 -7.423 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.912 -9.717 -7.733 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.446 -10.045 -6.893 1.00 0.00 H new ATOM 1459 N GLU A 87 2.210 -10.873 -3.838 1.00 0.00 N ATOM 1460 CA GLU A 87 2.856 -11.676 -2.778 1.00 0.00 C ATOM 1461 C GLU A 87 1.946 -11.785 -1.536 1.00 0.00 C ATOM 1462 O GLU A 87 2.173 -12.639 -0.682 1.00 0.00 O ATOM 1463 CB GLU A 87 4.206 -11.069 -2.389 1.00 0.00 C ATOM 1464 CG GLU A 87 5.288 -11.213 -3.450 1.00 0.00 C ATOM 1465 CD GLU A 87 5.651 -12.655 -3.668 1.00 0.00 C ATOM 1466 OE1 GLU A 87 6.015 -13.307 -2.718 1.00 0.00 O ATOM 1467 OE2 GLU A 87 5.459 -13.136 -4.759 1.00 0.00 O ATOM 0 H GLU A 87 2.520 -9.901 -3.855 1.00 0.00 H new ATOM 0 HA GLU A 87 3.023 -12.678 -3.172 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.066 -10.010 -2.172 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.551 -11.540 -1.469 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.942 -10.777 -4.387 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.174 -10.655 -3.147 1.00 0.00 H new ATOM 1474 N LEU A 88 0.931 -10.904 -1.430 1.00 0.00 N ATOM 1475 CA LEU A 88 0.063 -10.820 -0.230 1.00 0.00 C ATOM 1476 C LEU A 88 -1.210 -11.662 -0.415 1.00 0.00 C ATOM 1477 O LEU A 88 -1.853 -12.042 0.573 1.00 0.00 O ATOM 1478 CB LEU A 88 -0.303 -9.360 0.068 1.00 0.00 C ATOM 1479 CG LEU A 88 0.862 -8.476 0.531 1.00 0.00 C ATOM 1480 CD1 LEU A 88 0.425 -7.018 0.575 1.00 0.00 C ATOM 1481 CD2 LEU A 88 1.338 -8.938 1.901 1.00 0.00 C ATOM 0 H LEU A 88 0.689 -10.237 -2.162 1.00 0.00 H new ATOM 0 HA LEU A 88 0.618 -11.221 0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.737 -8.920 -0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.077 -9.346 0.836 1.00 0.00 H new ATOM 0 HG LEU A 88 1.688 -8.563 -0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.259 -6.398 0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.109 -6.703 -0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.406 -6.908 1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.166 -8.310 2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.519 -8.862 2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.671 -9.974 1.840 1.00 0.00 H new ATOM 1493 N GLY A 89 -1.563 -11.964 -1.680 1.00 0.00 N ATOM 1494 CA GLY A 89 -2.770 -12.744 -1.993 1.00 0.00 C ATOM 1495 C GLY A 89 -3.770 -12.020 -2.898 1.00 0.00 C ATOM 1496 O GLY A 89 -4.878 -12.522 -3.098 1.00 0.00 O ATOM 0 H GLY A 89 -1.027 -11.678 -2.500 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.472 -13.676 -2.473 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.268 -13.011 -1.061 1.00 0.00 H new ATOM 1500 N TYR A 90 -3.413 -10.829 -3.421 1.00 0.00 N ATOM 1501 CA TYR A 90 -4.310 -10.035 -4.296 1.00 0.00 C ATOM 1502 C TYR A 90 -4.169 -10.481 -5.771 1.00 0.00 C ATOM 1503 O TYR A 90 -3.057 -10.568 -6.287 1.00 0.00 O ATOM 1504 CB TYR A 90 -3.998 -8.523 -4.168 1.00 0.00 C ATOM 1505 CG TYR A 90 -4.427 -7.885 -2.832 1.00 0.00 C ATOM 1506 CD1 TYR A 90 -5.748 -7.476 -2.616 1.00 0.00 C ATOM 1507 CD2 TYR A 90 -3.513 -7.689 -1.790 1.00 0.00 C ATOM 1508 CE1 TYR A 90 -6.136 -6.895 -1.419 1.00 0.00 C ATOM 1509 CE2 TYR A 90 -3.896 -7.106 -0.596 1.00 0.00 C ATOM 1510 CZ TYR A 90 -5.207 -6.713 -0.413 1.00 0.00 C ATOM 1511 OH TYR A 90 -5.589 -6.138 0.780 1.00 0.00 O ATOM 0 H TYR A 90 -2.507 -10.392 -3.254 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.337 -10.210 -3.975 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.926 -8.375 -4.297 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.493 -7.994 -4.982 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -6.480 -7.616 -3.398 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.487 -8.000 -1.921 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -7.160 -6.586 -1.273 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.172 -6.958 0.191 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.816 -6.084 1.380 1.00 0.00 H new ATOM 1521 N ASN A 91 -5.310 -10.722 -6.448 1.00 0.00 N ATOM 1522 CA ASN A 91 -5.343 -11.181 -7.858 1.00 0.00 C ATOM 1523 C ASN A 91 -5.316 -9.984 -8.842 1.00 0.00 C ATOM 1524 O ASN A 91 -6.344 -9.322 -9.021 1.00 0.00 O ATOM 1525 CB ASN A 91 -6.555 -12.053 -8.128 1.00 0.00 C ATOM 1526 CG ASN A 91 -6.576 -12.654 -9.506 1.00 0.00 C ATOM 1527 OD1 ASN A 91 -5.919 -12.157 -10.430 1.00 0.00 O ATOM 1528 ND2 ASN A 91 -7.386 -13.667 -9.669 1.00 0.00 N ATOM 0 H ASN A 91 -6.236 -10.605 -6.036 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.447 -11.780 -8.021 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.585 -12.856 -7.391 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -7.457 -11.458 -7.988 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -7.500 -14.086 -10.592 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.904 -14.039 -8.873 1.00 0.00 H new ATOM 1535 N ASP A 92 -4.122 -9.692 -9.409 1.00 0.00 N ATOM 1536 CA ASP A 92 -3.911 -8.668 -10.474 1.00 0.00 C ATOM 1537 C ASP A 92 -4.962 -7.518 -10.464 1.00 0.00 C ATOM 1538 O ASP A 92 -4.702 -6.443 -9.917 1.00 0.00 O ATOM 1539 CB ASP A 92 -3.910 -9.344 -11.847 1.00 0.00 C ATOM 1540 CG ASP A 92 -3.608 -8.406 -13.010 1.00 0.00 C ATOM 1541 OD1 ASP A 92 -3.422 -7.237 -12.771 1.00 0.00 O ATOM 1542 OD2 ASP A 92 -3.410 -8.889 -14.099 1.00 0.00 O ATOM 0 H ASP A 92 -3.260 -10.166 -9.139 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.946 -8.207 -10.264 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.173 -10.147 -11.843 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.883 -9.806 -12.012 1.00 0.00 H new ATOM 1547 N SER A 93 -6.149 -7.774 -11.064 1.00 0.00 N ATOM 1548 CA SER A 93 -7.184 -6.752 -11.323 1.00 0.00 C ATOM 1549 C SER A 93 -7.759 -6.125 -10.027 1.00 0.00 C ATOM 1550 O SER A 93 -8.435 -5.092 -10.090 1.00 0.00 O ATOM 1551 CB SER A 93 -8.304 -7.363 -12.143 1.00 0.00 C ATOM 1552 OG SER A 93 -8.999 -8.351 -11.431 1.00 0.00 O ATOM 0 H SER A 93 -6.415 -8.705 -11.384 1.00 0.00 H new ATOM 0 HA SER A 93 -6.705 -5.943 -11.875 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.998 -6.580 -12.448 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.891 -7.796 -13.054 1.00 0.00 H new ATOM 0 HG SER A 93 -9.713 -8.718 -11.993 1.00 0.00 H new ATOM 1558 N ASN A 94 -7.499 -6.767 -8.865 1.00 0.00 N ATOM 1559 CA ASN A 94 -7.928 -6.253 -7.538 1.00 0.00 C ATOM 1560 C ASN A 94 -7.225 -4.913 -7.219 1.00 0.00 C ATOM 1561 O ASN A 94 -7.640 -4.182 -6.331 1.00 0.00 O ATOM 1562 CB ASN A 94 -7.665 -7.260 -6.434 1.00 0.00 C ATOM 1563 CG ASN A 94 -8.631 -8.412 -6.424 1.00 0.00 C ATOM 1564 OD1 ASN A 94 -9.701 -8.357 -7.038 1.00 0.00 O ATOM 1565 ND2 ASN A 94 -8.295 -9.423 -5.662 1.00 0.00 N ATOM 0 H ASN A 94 -6.990 -7.650 -8.817 1.00 0.00 H new ATOM 0 HA ASN A 94 -9.004 -6.085 -7.586 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -6.652 -7.648 -6.542 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -7.711 -6.751 -5.471 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -8.930 -10.214 -5.555 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -7.398 -9.419 -5.176 1.00 0.00 H new ATOM 1572 N VAL A 95 -6.180 -4.608 -8.008 1.00 0.00 N ATOM 1573 CA VAL A 95 -5.370 -3.377 -7.907 1.00 0.00 C ATOM 1574 C VAL A 95 -5.744 -2.399 -9.048 1.00 0.00 C ATOM 1575 O VAL A 95 -5.645 -2.771 -10.219 1.00 0.00 O ATOM 1576 CB VAL A 95 -3.860 -3.679 -7.966 1.00 0.00 C ATOM 1577 CG1 VAL A 95 -3.055 -2.391 -7.888 1.00 0.00 C ATOM 1578 CG2 VAL A 95 -3.462 -4.623 -6.843 1.00 0.00 C ATOM 0 H VAL A 95 -5.865 -5.227 -8.755 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.588 -2.921 -6.941 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.643 -4.164 -8.918 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.991 -2.624 -7.931 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.319 -1.745 -8.725 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.277 -1.879 -6.951 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.392 -4.826 -6.900 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.694 -4.164 -5.882 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.014 -5.558 -6.941 1.00 0.00 H new ATOM 1588 N THR A 96 -6.222 -1.174 -8.718 1.00 0.00 N ATOM 1589 CA THR A 96 -6.569 -0.148 -9.735 1.00 0.00 C ATOM 1590 C THR A 96 -5.888 1.200 -9.402 1.00 0.00 C ATOM 1591 O THR A 96 -5.984 1.671 -8.266 1.00 0.00 O ATOM 1592 CB THR A 96 -8.091 0.067 -9.835 1.00 0.00 C ATOM 1593 OG1 THR A 96 -8.727 -1.164 -10.200 1.00 0.00 O ATOM 1594 CG2 THR A 96 -8.413 1.128 -10.877 1.00 0.00 C ATOM 0 H THR A 96 -6.376 -0.872 -7.756 1.00 0.00 H new ATOM 0 HA THR A 96 -6.208 -0.517 -10.695 1.00 0.00 H new ATOM 0 HB THR A 96 -8.460 0.401 -8.865 1.00 0.00 H new ATOM 0 HG1 THR A 96 -9.695 -1.026 -10.262 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.493 1.266 -10.934 1.00 0.00 H new ATOM 0 HG22 THR A 96 -7.941 2.069 -10.596 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.036 0.809 -11.849 1.00 0.00 H new ATOM 1602 N TRP A 97 -5.207 1.795 -10.401 1.00 0.00 N ATOM 1603 CA TRP A 97 -4.530 3.113 -10.280 1.00 0.00 C ATOM 1604 C TRP A 97 -5.348 4.230 -10.951 1.00 0.00 C ATOM 1605 O TRP A 97 -5.748 4.100 -12.114 1.00 0.00 O ATOM 1606 CB TRP A 97 -3.107 3.055 -10.908 1.00 0.00 C ATOM 1607 CG TRP A 97 -2.120 2.265 -10.092 1.00 0.00 C ATOM 1608 CD1 TRP A 97 -1.899 0.916 -10.131 1.00 0.00 C ATOM 1609 CD2 TRP A 97 -1.227 2.789 -9.093 1.00 0.00 C ATOM 1610 NE1 TRP A 97 -0.954 0.569 -9.199 1.00 0.00 N ATOM 1611 CE2 TRP A 97 -0.512 1.704 -8.565 1.00 0.00 C ATOM 1612 CE3 TRP A 97 -0.968 4.073 -8.599 1.00 0.00 C ATOM 1613 CZ2 TRP A 97 0.442 1.860 -7.567 1.00 0.00 C ATOM 1614 CZ3 TRP A 97 -0.015 4.224 -7.610 1.00 0.00 C ATOM 1615 CH2 TRP A 97 0.680 3.126 -7.106 1.00 0.00 C ATOM 0 H TRP A 97 -5.107 1.375 -11.325 1.00 0.00 H new ATOM 0 HA TRP A 97 -4.446 3.341 -9.217 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -3.176 2.617 -11.904 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -2.732 4.071 -11.032 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -2.395 0.226 -10.797 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -0.632 -0.380 -9.008 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -1.503 4.929 -8.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 0.977 1.011 -7.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 0.195 5.209 -7.221 1.00 0.00 H new ATOM 0 HH2 TRP A 97 1.422 3.278 -6.336 1.00 0.00 H new ATOM 1626 N ASP A 98 -5.569 5.325 -10.199 1.00 0.00 N ATOM 1627 CA ASP A 98 -6.262 6.534 -10.682 1.00 0.00 C ATOM 1628 C ASP A 98 -5.606 7.775 -10.047 1.00 0.00 C ATOM 1629 O ASP A 98 -5.751 8.011 -8.841 1.00 0.00 O ATOM 1630 CB ASP A 98 -7.756 6.482 -10.351 1.00 0.00 C ATOM 1631 CG ASP A 98 -8.559 7.659 -10.889 1.00 0.00 C ATOM 1632 OD1 ASP A 98 -7.963 8.572 -11.409 1.00 0.00 O ATOM 1633 OD2 ASP A 98 -9.763 7.565 -10.919 1.00 0.00 O ATOM 0 H ASP A 98 -5.267 5.395 -9.227 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.171 6.589 -11.767 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.173 5.559 -10.753 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.875 6.441 -9.268 1.00 0.00 H new ATOM 1638 N GLY A 99 -4.818 8.504 -10.859 1.00 0.00 N ATOM 1639 CA GLY A 99 -4.221 9.789 -10.465 1.00 0.00 C ATOM 1640 C GLY A 99 -3.059 9.646 -9.482 1.00 0.00 C ATOM 1641 O GLY A 99 -2.994 10.374 -8.486 1.00 0.00 O ATOM 0 H GLY A 99 -4.578 8.216 -11.808 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.870 10.306 -11.358 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -4.991 10.416 -10.016 1.00 0.00 H new ATOM 1645 N ASP A 100 -2.188 8.648 -9.744 1.00 0.00 N ATOM 1646 CA ASP A 100 -1.014 8.293 -8.892 1.00 0.00 C ATOM 1647 C ASP A 100 -1.415 7.757 -7.510 1.00 0.00 C ATOM 1648 O ASP A 100 -0.554 7.586 -6.649 1.00 0.00 O ATOM 1649 CB ASP A 100 -0.098 9.506 -8.716 1.00 0.00 C ATOM 1650 CG ASP A 100 0.386 10.124 -10.021 1.00 0.00 C ATOM 1651 OD1 ASP A 100 0.793 9.388 -10.889 1.00 0.00 O ATOM 1652 OD2 ASP A 100 0.199 11.304 -10.202 1.00 0.00 O ATOM 0 H ASP A 100 -2.276 8.051 -10.566 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.488 7.494 -9.413 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -0.629 10.266 -8.143 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.769 9.209 -8.126 1.00 0.00 H new ATOM 1657 N THR A 101 -2.707 7.468 -7.315 1.00 0.00 N ATOM 1658 CA THR A 101 -3.227 6.893 -6.073 1.00 0.00 C ATOM 1659 C THR A 101 -3.940 5.574 -6.395 1.00 0.00 C ATOM 1660 O THR A 101 -4.725 5.509 -7.345 1.00 0.00 O ATOM 1661 CB THR A 101 -4.199 7.847 -5.355 1.00 0.00 C ATOM 1662 OG1 THR A 101 -3.538 9.090 -5.081 1.00 0.00 O ATOM 1663 CG2 THR A 101 -4.681 7.235 -4.049 1.00 0.00 C ATOM 0 H THR A 101 -3.425 7.629 -8.021 1.00 0.00 H new ATOM 0 HA THR A 101 -2.386 6.720 -5.401 1.00 0.00 H new ATOM 0 HB THR A 101 -5.059 8.019 -6.002 1.00 0.00 H new ATOM 0 HG1 THR A 101 -4.158 9.697 -4.626 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.367 7.924 -3.556 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.195 6.296 -4.255 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.827 7.046 -3.399 1.00 0.00 H new ATOM 1671 N VAL A 102 -3.648 4.524 -5.622 1.00 0.00 N ATOM 1672 CA VAL A 102 -4.074 3.158 -5.943 1.00 0.00 C ATOM 1673 C VAL A 102 -5.145 2.706 -4.935 1.00 0.00 C ATOM 1674 O VAL A 102 -5.015 2.934 -3.733 1.00 0.00 O ATOM 1675 CB VAL A 102 -2.895 2.168 -5.924 1.00 0.00 C ATOM 1676 CG1 VAL A 102 -2.317 2.055 -4.521 1.00 0.00 C ATOM 1677 CG2 VAL A 102 -3.337 0.802 -6.427 1.00 0.00 C ATOM 0 H VAL A 102 -3.111 4.596 -4.758 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.484 3.164 -6.953 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.118 2.546 -6.589 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.485 1.351 -4.526 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -1.964 3.033 -4.193 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -3.088 1.700 -3.837 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -2.491 0.115 -6.407 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -4.131 0.418 -5.787 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.706 0.892 -7.449 1.00 0.00 H new ATOM 1687 N THR A 103 -6.220 2.097 -5.441 1.00 0.00 N ATOM 1688 CA THR A 103 -7.245 1.465 -4.619 1.00 0.00 C ATOM 1689 C THR A 103 -7.200 -0.051 -4.877 1.00 0.00 C ATOM 1690 O THR A 103 -7.234 -0.501 -6.032 1.00 0.00 O ATOM 1691 CB THR A 103 -8.653 2.009 -4.924 1.00 0.00 C ATOM 1692 OG1 THR A 103 -8.708 3.406 -4.604 1.00 0.00 O ATOM 1693 CG2 THR A 103 -9.701 1.264 -4.112 1.00 0.00 C ATOM 0 H THR A 103 -6.402 2.030 -6.442 1.00 0.00 H new ATOM 0 HA THR A 103 -7.040 1.689 -3.572 1.00 0.00 H new ATOM 0 HB THR A 103 -8.860 1.864 -5.984 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.631 3.523 -3.634 1.00 0.00 H new ATOM 0 HG21 THR A 103 -10.689 1.662 -4.341 1.00 0.00 H new ATOM 0 HG22 THR A 103 -9.670 0.204 -4.363 1.00 0.00 H new ATOM 0 HG23 THR A 103 -9.496 1.391 -3.049 1.00 0.00 H new ATOM 1701 N VAL A 104 -7.036 -0.816 -3.791 1.00 0.00 N ATOM 1702 CA VAL A 104 -6.821 -2.267 -3.829 1.00 0.00 C ATOM 1703 C VAL A 104 -7.825 -2.925 -2.892 1.00 0.00 C ATOM 1704 O VAL A 104 -7.874 -2.601 -1.701 1.00 0.00 O ATOM 1705 CB VAL A 104 -5.392 -2.661 -3.416 1.00 0.00 C ATOM 1706 CG1 VAL A 104 -5.215 -4.171 -3.483 1.00 0.00 C ATOM 1707 CG2 VAL A 104 -4.370 -1.966 -4.303 1.00 0.00 C ATOM 0 H VAL A 104 -7.049 -0.437 -2.844 1.00 0.00 H new ATOM 0 HA VAL A 104 -6.960 -2.606 -4.856 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.230 -2.340 -2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.199 -4.432 -3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.923 -4.651 -2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.396 -4.514 -4.502 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.365 -2.256 -3.997 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.531 -2.257 -5.341 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.480 -0.886 -4.208 1.00 0.00 H new ATOM 1717 N GLU A 105 -8.620 -3.855 -3.420 1.00 0.00 N ATOM 1718 CA GLU A 105 -9.686 -4.509 -2.652 1.00 0.00 C ATOM 1719 C GLU A 105 -9.527 -6.023 -2.711 1.00 0.00 C ATOM 1720 O GLU A 105 -9.195 -6.579 -3.764 1.00 0.00 O ATOM 1721 CB GLU A 105 -11.063 -4.101 -3.177 1.00 0.00 C ATOM 1722 CG GLU A 105 -12.230 -4.782 -2.476 1.00 0.00 C ATOM 1723 CD GLU A 105 -13.549 -4.299 -3.013 1.00 0.00 C ATOM 1724 OE1 GLU A 105 -13.551 -3.364 -3.778 1.00 0.00 O ATOM 1725 OE2 GLU A 105 -14.544 -4.933 -2.749 1.00 0.00 O ATOM 0 H GLU A 105 -8.547 -4.177 -4.385 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.606 -4.186 -1.614 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -11.173 -3.021 -3.074 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.114 -4.326 -4.242 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -12.155 -5.862 -2.607 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -12.178 -4.586 -1.405 1.00 0.00 H new ATOM 1732 N GLY A 106 -9.759 -6.678 -1.570 1.00 0.00 N ATOM 1733 CA GLY A 106 -9.537 -8.107 -1.435 1.00 0.00 C ATOM 1734 C GLY A 106 -10.126 -8.662 -0.158 1.00 0.00 C ATOM 1735 O GLY A 106 -10.809 -7.942 0.592 1.00 0.00 O ATOM 0 H GLY A 106 -10.104 -6.229 -0.722 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -9.976 -8.623 -2.289 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.466 -8.310 -1.456 1.00 0.00 H new ATOM 1739 N GLN A 107 -9.858 -9.952 0.082 1.00 0.00 N ATOM 1740 CA GLN A 107 -10.481 -10.715 1.166 1.00 0.00 C ATOM 1741 C GLN A 107 -9.663 -10.612 2.479 1.00 0.00 C ATOM 1742 O GLN A 107 -8.421 -10.564 2.474 1.00 0.00 O ATOM 1743 CB GLN A 107 -10.628 -12.183 0.758 1.00 0.00 C ATOM 1744 CG GLN A 107 -11.332 -13.048 1.789 1.00 0.00 C ATOM 1745 CD GLN A 107 -11.536 -14.473 1.308 1.00 0.00 C ATOM 1746 OE1 GLN A 107 -11.306 -14.786 0.137 1.00 0.00 O ATOM 1747 NE2 GLN A 107 -11.972 -15.344 2.211 1.00 0.00 N ATOM 0 H GLN A 107 -9.199 -10.497 -0.475 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.467 -10.287 1.350 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -11.180 -12.234 -0.181 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -9.638 -12.597 0.568 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -10.749 -13.058 2.710 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -12.299 -12.607 2.030 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -12.149 -15.040 3.169 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -12.130 -16.316 1.947 1.00 0.00 H new