USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 548 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 49 GLN : amide:sc= 1.56 K(o=3.2,f=-4) USER MOD Set 1.2: A 57 ASN : amide:sc= 0.917 K(o=3.2,f=-2.8!) USER MOD Set 1.3: A 61 HIS : no HE2:sc= 0.707 K(o=3.2,f=-1.4!) USER MOD Set 2.1: A 39 HIS : no HE2:sc= -0.0457 K(o=0.81,f=-3!) USER MOD Set 2.2: A 63 HIS : no HE2:sc= 0.853 K(o=0.81,f=-3.9!) USER MOD Set 3.1: A 20 SER OG : rot 19:sc= 0.0041 USER MOD Set 3.2: A 21 THR OG1 : rot -120:sc= 0.833 USER MOD Set 3.3: A 33 THR OG1 : rot -36:sc= 1.98 USER MOD Set 4.1: A 13 GLN : amide:sc= 0.226 K(o=3,f=-13!) USER MOD Set 4.2: A 14 LYS NZ :NH3+ 171:sc= 2.79 (180deg=1.91) USER MOD Single : A 6 TYR OH : rot 45:sc= 1.31 USER MOD Single : A 7 TYR OH : rot 146:sc= 1.24 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0744 USER MOD Single : A 15 HIS : no HE2:sc= -0.134 K(o=-0.13,f=-3.9!) USER MOD Single : A 16 ASN : amide:sc= 1.1 K(o=1.1,f=-0.33) USER MOD Single : A 26 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.5) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -100:sc= 1.05 (180deg=-2.35!) USER MOD Single : A 30 TYR OH : rot 20:sc= 1.12 USER MOD Single : A 34 LYS NZ :NH3+ -174:sc= 2.24 (180deg=2.1) USER MOD Single : A 55 THR OG1 : rot 82:sc= 1.82 USER MOD Single : A 64 SER OG : rot 180:sc= 0.158 USER MOD Single : A 65 THR OG1 : rot 79:sc= 1.38 USER MOD Single : A 71 SER OG : rot 70:sc= 1.13 USER MOD Single : A 72 LYS NZ :NH3+ 178:sc= 0.341 (180deg=0.156) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0608 USER MOD Single : A 80 HIS : no HD1:sc= -0.444 X(o=-0.44,f=-0.091) USER MOD ----------------------------------------------------------------- ATOM 51 N TYR A 6 -7.320 13.019 -1.001 1.00 10.00 N ATOM 52 CA TYR A 6 -8.191 11.860 -1.044 1.00 10.00 C ATOM 53 C TYR A 6 -8.280 11.265 -2.436 1.00 10.00 C ATOM 54 O TYR A 6 -7.992 11.887 -3.455 1.00 10.00 O ATOM 55 CB TYR A 6 -9.608 12.088 -0.494 1.00 10.00 C ATOM 56 CG TYR A 6 -9.770 12.047 0.996 1.00 10.00 C ATOM 57 CD1 TYR A 6 -10.037 10.806 1.578 1.00 10.00 C ATOM 58 CD2 TYR A 6 -9.815 13.212 1.778 1.00 10.00 C ATOM 59 CE1 TYR A 6 -10.187 10.691 2.960 1.00 10.00 C ATOM 60 CE2 TYR A 6 -10.037 13.109 3.163 1.00 10.00 C ATOM 61 CZ TYR A 6 -10.180 11.844 3.762 1.00 10.00 C ATOM 62 OH TYR A 6 -10.209 11.740 5.117 1.00 10.00 O ATOM 0 HA TYR A 6 -7.707 11.154 -0.369 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -9.957 13.058 -0.847 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -10.266 11.335 -0.928 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -10.128 9.929 0.954 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -9.680 14.180 1.319 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -10.308 9.718 3.412 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -10.098 14.002 3.767 1.00 10.00 H new ATOM 0 HH TYR A 6 -9.573 11.053 5.406 1.00 10.00 H new ATOM 72 N TYR A 7 -8.637 9.990 -2.390 1.00 10.00 N ATOM 73 CA TYR A 7 -8.512 9.015 -3.421 1.00 10.00 C ATOM 74 C TYR A 7 -9.651 8.026 -3.227 1.00 10.00 C ATOM 75 O TYR A 7 -9.852 7.465 -2.153 1.00 10.00 O ATOM 76 CB TYR A 7 -7.152 8.381 -3.170 1.00 10.00 C ATOM 77 CG TYR A 7 -5.949 8.974 -3.891 1.00 10.00 C ATOM 78 CD1 TYR A 7 -6.053 10.061 -4.790 1.00 10.00 C ATOM 79 CD2 TYR A 7 -4.677 8.608 -3.426 1.00 10.00 C ATOM 80 CE1 TYR A 7 -4.951 10.903 -5.011 1.00 10.00 C ATOM 81 CE2 TYR A 7 -3.577 9.445 -3.654 1.00 10.00 C ATOM 82 CZ TYR A 7 -3.739 10.644 -4.361 1.00 10.00 C ATOM 83 OH TYR A 7 -2.824 11.645 -4.221 1.00 10.00 O ATOM 0 H TYR A 7 -9.057 9.594 -1.549 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.569 9.398 -4.440 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -6.955 8.424 -2.099 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -7.219 7.327 -3.440 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -6.983 10.244 -5.308 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -4.546 7.679 -2.891 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -5.038 11.747 -5.680 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -2.602 9.165 -3.284 1.00 10.00 H new ATOM 0 HH TYR A 7 -2.345 11.534 -3.373 1.00 10.00 H new ATOM 93 N THR A 8 -10.444 7.873 -4.272 1.00 10.00 N ATOM 94 CA THR A 8 -11.647 7.073 -4.262 1.00 10.00 C ATOM 95 C THR A 8 -11.264 5.603 -4.374 1.00 10.00 C ATOM 96 O THR A 8 -10.240 5.282 -4.974 1.00 10.00 O ATOM 97 CB THR A 8 -12.502 7.519 -5.454 1.00 10.00 C ATOM 98 OG1 THR A 8 -11.664 7.630 -6.590 1.00 10.00 O ATOM 99 CG2 THR A 8 -13.118 8.889 -5.167 1.00 10.00 C ATOM 0 H THR A 8 -10.261 8.315 -5.173 1.00 10.00 H new ATOM 0 HA THR A 8 -12.213 7.203 -3.340 1.00 10.00 H new ATOM 0 HB THR A 8 -13.296 6.792 -5.627 1.00 10.00 H new ATOM 0 HG1 THR A 8 -12.196 7.913 -7.363 1.00 10.00 H new ATOM 0 HG21 THR A 8 -13.724 9.201 -6.017 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.745 8.827 -4.278 1.00 10.00 H new ATOM 0 HG23 THR A 8 -12.324 9.617 -5.001 1.00 10.00 H new ATOM 107 N LEU A 9 -12.095 4.697 -3.852 1.00 10.00 N ATOM 108 CA LEU A 9 -11.913 3.272 -4.105 1.00 10.00 C ATOM 109 C LEU A 9 -11.786 3.018 -5.602 1.00 10.00 C ATOM 110 O LEU A 9 -10.880 2.303 -6.018 1.00 10.00 O ATOM 111 CB LEU A 9 -12.998 2.466 -3.397 1.00 10.00 C ATOM 112 CG LEU A 9 -13.147 0.997 -3.835 1.00 10.00 C ATOM 113 CD1 LEU A 9 -13.708 0.181 -2.663 1.00 10.00 C ATOM 114 CD2 LEU A 9 -14.099 0.822 -5.028 1.00 10.00 C ATOM 0 H LEU A 9 -12.892 4.925 -3.258 1.00 10.00 H new ATOM 0 HA LEU A 9 -10.975 2.921 -3.675 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -12.796 2.486 -2.326 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -13.953 2.968 -3.550 1.00 10.00 H new ATOM 0 HG LEU A 9 -12.158 0.654 -4.138 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -13.817 -0.861 -2.964 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -13.025 0.244 -1.816 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -14.681 0.579 -2.375 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -14.163 -0.234 -5.290 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -15.089 1.190 -4.760 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -13.721 1.385 -5.881 1.00 10.00 H new ATOM 126 N GLU A 10 -12.632 3.683 -6.399 1.00 10.00 N ATOM 127 CA GLU A 10 -12.540 3.734 -7.853 1.00 10.00 C ATOM 128 C GLU A 10 -11.081 3.789 -8.303 1.00 10.00 C ATOM 129 O GLU A 10 -10.614 2.904 -9.014 1.00 10.00 O ATOM 130 CB GLU A 10 -13.312 4.963 -8.355 1.00 10.00 C ATOM 131 CG GLU A 10 -13.384 5.072 -9.886 1.00 10.00 C ATOM 132 CD GLU A 10 -14.102 3.890 -10.518 1.00 10.00 C ATOM 133 OE1 GLU A 10 -15.348 3.930 -10.550 1.00 10.00 O ATOM 134 OE2 GLU A 10 -13.384 2.958 -10.945 1.00 10.00 O ATOM 0 H GLU A 10 -13.422 4.215 -6.033 1.00 10.00 H new ATOM 0 HA GLU A 10 -12.979 2.831 -8.277 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -14.325 4.931 -7.955 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -12.841 5.862 -7.959 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -13.898 5.994 -10.158 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -12.374 5.139 -10.291 1.00 10.00 H new ATOM 141 N GLU A 11 -10.346 4.808 -7.862 1.00 10.00 N ATOM 142 CA GLU A 11 -8.929 4.926 -8.170 1.00 10.00 C ATOM 143 C GLU A 11 -8.140 3.798 -7.522 1.00 10.00 C ATOM 144 O GLU A 11 -7.325 3.146 -8.177 1.00 10.00 O ATOM 145 CB GLU A 11 -8.387 6.262 -7.632 1.00 10.00 C ATOM 146 CG GLU A 11 -8.499 7.433 -8.607 1.00 10.00 C ATOM 147 CD GLU A 11 -7.544 7.240 -9.782 1.00 10.00 C ATOM 148 OE1 GLU A 11 -7.931 6.634 -10.805 1.00 10.00 O ATOM 149 OE2 GLU A 11 -6.354 7.584 -9.656 1.00 10.00 O ATOM 0 H GLU A 11 -10.714 5.566 -7.287 1.00 10.00 H new ATOM 0 HA GLU A 11 -8.816 4.876 -9.253 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -8.924 6.515 -6.718 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -7.339 6.131 -7.361 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -9.523 7.514 -8.972 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -8.269 8.366 -8.093 1.00 10.00 H new ATOM 156 N ILE A 12 -8.326 3.618 -6.216 1.00 10.00 N ATOM 157 CA ILE A 12 -7.487 2.746 -5.423 1.00 10.00 C ATOM 158 C ILE A 12 -7.409 1.355 -6.048 1.00 10.00 C ATOM 159 O ILE A 12 -6.299 0.866 -6.236 1.00 10.00 O ATOM 160 CB ILE A 12 -7.919 2.745 -3.943 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.715 4.127 -3.294 1.00 10.00 C ATOM 162 CG2 ILE A 12 -7.125 1.709 -3.143 1.00 10.00 C ATOM 163 CD1 ILE A 12 -8.583 4.340 -2.053 1.00 10.00 C ATOM 0 H ILE A 12 -9.066 4.077 -5.685 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.469 3.135 -5.426 1.00 10.00 H new ATOM 0 HB ILE A 12 -8.979 2.493 -3.925 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.666 4.242 -3.021 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.941 4.903 -4.026 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.448 1.728 -2.102 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -7.299 0.717 -3.559 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -6.062 1.944 -3.197 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.393 5.332 -1.642 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.635 4.255 -2.326 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.340 3.585 -1.305 1.00 10.00 H new ATOM 175 N GLN A 13 -8.540 0.747 -6.433 1.00 10.00 N ATOM 176 CA GLN A 13 -8.509 -0.604 -7.015 1.00 10.00 C ATOM 177 C GLN A 13 -7.547 -0.624 -8.203 1.00 10.00 C ATOM 178 O GLN A 13 -6.758 -1.539 -8.435 1.00 10.00 O ATOM 179 CB GLN A 13 -9.854 -0.995 -7.664 1.00 10.00 C ATOM 180 CG GLN A 13 -11.173 -0.948 -6.893 1.00 10.00 C ATOM 181 CD GLN A 13 -12.351 -1.077 -7.866 1.00 10.00 C ATOM 182 OE1 GLN A 13 -12.221 -0.573 -9.012 1.00 10.00 O ATOM 183 NE2 GLN A 13 -13.357 -1.692 -7.460 1.00 10.00 N ATOM 0 H GLN A 13 -9.470 1.158 -6.355 1.00 10.00 H new ATOM 0 HA GLN A 13 -8.240 -1.270 -6.195 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -9.978 -0.355 -8.538 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -9.741 -2.016 -8.030 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -11.205 -1.755 -6.160 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -11.248 -0.012 -6.340 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -13.376 -2.069 -6.512 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -14.160 -1.818 -8.076 1.00 10.00 H new ATOM 190 N LYS A 14 -7.748 0.407 -9.013 1.00 10.00 N ATOM 191 CA LYS A 14 -7.245 0.606 -10.343 1.00 10.00 C ATOM 192 C LYS A 14 -5.731 0.765 -10.239 1.00 10.00 C ATOM 193 O LYS A 14 -4.971 0.213 -11.033 1.00 10.00 O ATOM 194 CB LYS A 14 -7.993 1.850 -10.853 1.00 10.00 C ATOM 195 CG LYS A 14 -8.518 1.790 -12.282 1.00 10.00 C ATOM 196 CD LYS A 14 -9.632 0.734 -12.493 1.00 10.00 C ATOM 197 CE LYS A 14 -11.080 1.197 -12.213 1.00 10.00 C ATOM 198 NZ LYS A 14 -11.502 1.184 -10.793 1.00 10.00 N ATOM 0 H LYS A 14 -8.324 1.194 -8.715 1.00 10.00 H new ATOM 0 HA LYS A 14 -7.410 -0.212 -11.044 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -8.836 2.038 -10.188 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -7.325 2.707 -10.771 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -8.903 2.771 -12.560 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -7.689 1.570 -12.955 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -9.579 0.383 -13.523 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -9.417 -0.122 -11.853 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -11.197 2.210 -12.597 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -11.760 0.561 -12.780 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -12.426 1.652 -10.701 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -11.577 0.201 -10.462 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -10.799 1.690 -10.217 1.00 10.00 H new ATOM 212 N HIS A 15 -5.285 1.452 -9.190 1.00 10.00 N ATOM 213 CA HIS A 15 -3.904 1.442 -8.757 1.00 10.00 C ATOM 214 C HIS A 15 -3.484 0.095 -8.153 1.00 10.00 C ATOM 215 O HIS A 15 -3.171 -0.022 -6.970 1.00 10.00 O ATOM 216 CB HIS A 15 -3.681 2.591 -7.789 1.00 10.00 C ATOM 217 CG HIS A 15 -3.435 3.905 -8.463 1.00 10.00 C ATOM 218 ND1 HIS A 15 -2.214 4.327 -8.925 1.00 10.00 N ATOM 219 CD2 HIS A 15 -4.355 4.871 -8.755 1.00 10.00 C ATOM 220 CE1 HIS A 15 -2.389 5.531 -9.492 1.00 10.00 C ATOM 221 NE2 HIS A 15 -3.689 5.875 -9.470 1.00 10.00 N ATOM 0 H HIS A 15 -5.888 2.038 -8.613 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.267 1.578 -9.631 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.552 2.683 -7.140 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -2.831 2.356 -7.149 1.00 10.00 H new ATOM 0 HD1 HIS A 15 -1.333 3.818 -8.851 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -5.401 4.863 -8.485 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.598 6.138 -9.907 1.00 10.00 H new ATOM 229 N ASN A 16 -3.379 -0.917 -9.011 1.00 10.00 N ATOM 230 CA ASN A 16 -2.681 -2.171 -8.712 1.00 10.00 C ATOM 231 C ASN A 16 -1.690 -2.607 -9.797 1.00 10.00 C ATOM 232 O ASN A 16 -0.882 -3.513 -9.582 1.00 10.00 O ATOM 233 CB ASN A 16 -3.674 -3.286 -8.353 1.00 10.00 C ATOM 234 CG ASN A 16 -4.270 -3.911 -9.609 1.00 10.00 C ATOM 235 OD1 ASN A 16 -3.702 -4.840 -10.176 1.00 10.00 O ATOM 236 ND2 ASN A 16 -5.396 -3.383 -10.073 1.00 10.00 N ATOM 0 H ASN A 16 -3.781 -0.891 -9.948 1.00 10.00 H new ATOM 0 HA ASN A 16 -2.065 -1.970 -7.835 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -3.169 -4.053 -7.765 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -4.472 -2.881 -7.730 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -5.817 -3.749 -10.927 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -5.840 -2.611 -9.575 1.00 10.00 H new ATOM 290 N SER A 20 0.288 2.430 -11.048 1.00 10.00 N ATOM 291 CA SER A 20 1.179 2.447 -9.883 1.00 10.00 C ATOM 292 C SER A 20 0.430 1.758 -8.746 1.00 10.00 C ATOM 293 O SER A 20 -0.760 1.998 -8.580 1.00 10.00 O ATOM 294 CB SER A 20 1.669 3.849 -9.480 1.00 10.00 C ATOM 295 OG SER A 20 2.625 3.772 -8.439 1.00 10.00 O ATOM 0 HA SER A 20 2.099 1.919 -10.134 1.00 10.00 H new ATOM 0 HB2 SER A 20 2.107 4.348 -10.345 1.00 10.00 H new ATOM 0 HB3 SER A 20 0.823 4.455 -9.157 1.00 10.00 H new ATOM 0 HG SER A 20 2.994 2.865 -8.400 1.00 10.00 H new ATOM 301 N THR A 21 1.095 0.879 -8.001 1.00 10.00 N ATOM 302 CA THR A 21 0.500 0.038 -6.982 1.00 10.00 C ATOM 303 C THR A 21 0.154 0.886 -5.755 1.00 10.00 C ATOM 304 O THR A 21 1.054 1.518 -5.207 1.00 10.00 O ATOM 305 CB THR A 21 1.538 -1.044 -6.647 1.00 10.00 C ATOM 306 OG1 THR A 21 2.174 -1.478 -7.840 1.00 10.00 O ATOM 307 CG2 THR A 21 0.913 -2.236 -5.928 1.00 10.00 C ATOM 0 H THR A 21 2.100 0.732 -8.099 1.00 10.00 H new ATOM 0 HA THR A 21 -0.426 -0.425 -7.322 1.00 10.00 H new ATOM 0 HB THR A 21 2.271 -0.604 -5.971 1.00 10.00 H new ATOM 0 HG1 THR A 21 2.021 -2.438 -7.962 1.00 10.00 H new ATOM 0 HG21 THR A 21 1.684 -2.975 -5.711 1.00 10.00 H new ATOM 0 HG22 THR A 21 0.459 -1.901 -4.995 1.00 10.00 H new ATOM 0 HG23 THR A 21 0.149 -2.684 -6.563 1.00 10.00 H new ATOM 315 N TRP A 22 -1.118 0.912 -5.345 1.00 10.00 N ATOM 316 CA TRP A 22 -1.619 1.595 -4.154 1.00 10.00 C ATOM 317 C TRP A 22 -2.093 0.557 -3.133 1.00 10.00 C ATOM 318 O TRP A 22 -2.393 -0.567 -3.516 1.00 10.00 O ATOM 319 CB TRP A 22 -2.782 2.520 -4.538 1.00 10.00 C ATOM 320 CG TRP A 22 -2.408 3.859 -5.125 1.00 10.00 C ATOM 321 CD1 TRP A 22 -1.189 4.220 -5.590 1.00 10.00 C ATOM 322 CD2 TRP A 22 -3.272 5.000 -5.409 1.00 10.00 C ATOM 323 NE1 TRP A 22 -1.243 5.479 -6.146 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.517 5.997 -6.094 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.628 5.287 -5.171 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -3.088 7.189 -6.560 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -5.228 6.451 -5.680 1.00 10.00 C ATOM 328 CH2 TRP A 22 -4.469 7.386 -6.403 1.00 10.00 C ATOM 0 H TRP A 22 -1.858 0.435 -5.860 1.00 10.00 H new ATOM 0 HA TRP A 22 -0.820 2.193 -3.715 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.413 1.996 -5.256 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.388 2.694 -3.649 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.301 3.608 -5.533 1.00 10.00 H new ATOM 0 HE1 TRP A 22 -0.441 5.966 -6.546 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -5.220 4.599 -4.585 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -2.476 7.943 -7.032 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -6.280 6.628 -5.514 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -4.946 8.253 -6.836 1.00 10.00 H new ATOM 339 N LEU A 23 -2.191 0.909 -1.849 1.00 10.00 N ATOM 340 CA LEU A 23 -2.821 0.087 -0.818 1.00 10.00 C ATOM 341 C LEU A 23 -3.403 1.017 0.253 1.00 10.00 C ATOM 342 O LEU A 23 -3.009 2.184 0.304 1.00 10.00 O ATOM 343 CB LEU A 23 -1.851 -0.925 -0.165 1.00 10.00 C ATOM 344 CG LEU A 23 -0.452 -1.163 -0.754 1.00 10.00 C ATOM 345 CD1 LEU A 23 0.554 -0.586 0.230 1.00 10.00 C ATOM 346 CD2 LEU A 23 -0.152 -2.658 -0.882 1.00 10.00 C ATOM 0 H LEU A 23 -1.826 1.792 -1.492 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.602 -0.505 -1.296 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -1.714 -0.615 0.871 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.359 -1.889 -0.145 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.397 -0.702 -1.740 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.564 -0.735 -0.152 1.00 10.00 H new ATOM 0 HD12 LEU A 23 0.368 0.480 0.357 1.00 10.00 H new ATOM 0 HD13 LEU A 23 0.452 -1.089 1.192 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.845 -2.794 -1.302 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -0.198 -3.124 0.102 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.888 -3.122 -1.538 1.00 10.00 H new ATOM 358 N ILE A 24 -4.301 0.500 1.107 1.00 10.00 N ATOM 359 CA ILE A 24 -4.846 1.219 2.265 1.00 10.00 C ATOM 360 C ILE A 24 -4.347 0.591 3.564 1.00 10.00 C ATOM 361 O ILE A 24 -4.527 -0.606 3.769 1.00 10.00 O ATOM 362 CB ILE A 24 -6.396 1.270 2.255 1.00 10.00 C ATOM 363 CG1 ILE A 24 -7.001 1.330 0.844 1.00 10.00 C ATOM 364 CG2 ILE A 24 -6.890 2.446 3.107 1.00 10.00 C ATOM 365 CD1 ILE A 24 -8.529 1.238 0.855 1.00 10.00 C ATOM 0 H ILE A 24 -4.673 -0.445 1.009 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.489 2.247 2.199 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.741 0.331 2.688 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.700 2.261 0.363 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -6.596 0.515 0.244 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -7.980 2.473 3.093 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.543 2.323 4.133 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.499 3.379 2.701 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -8.904 1.285 -0.167 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -8.833 0.295 1.310 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.939 2.068 1.431 1.00 10.00 H new ATOM 377 N LEU A 25 -3.727 1.401 4.428 1.00 10.00 N ATOM 378 CA LEU A 25 -3.190 1.007 5.731 1.00 10.00 C ATOM 379 C LEU A 25 -3.685 2.042 6.751 1.00 10.00 C ATOM 380 O LEU A 25 -3.105 3.123 6.865 1.00 10.00 O ATOM 381 CB LEU A 25 -1.649 0.965 5.702 1.00 10.00 C ATOM 382 CG LEU A 25 -0.980 -0.365 5.320 1.00 10.00 C ATOM 383 CD1 LEU A 25 -1.405 -0.886 3.950 1.00 10.00 C ATOM 384 CD2 LEU A 25 0.548 -0.207 5.327 1.00 10.00 C ATOM 0 H LEU A 25 -3.580 2.390 4.228 1.00 10.00 H new ATOM 0 HA LEU A 25 -3.529 0.006 5.998 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.305 1.727 5.002 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.287 1.252 6.689 1.00 10.00 H new ATOM 0 HG LEU A 25 -1.305 -1.090 6.066 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.895 -1.827 3.744 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.483 -1.048 3.941 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.141 -0.156 3.185 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.013 -1.155 5.055 1.00 10.00 H new ATOM 0 HD22 LEU A 25 0.838 0.559 4.608 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.879 0.087 6.323 1.00 10.00 H new ATOM 396 N HIS A 26 -4.756 1.740 7.488 1.00 10.00 N ATOM 397 CA HIS A 26 -5.356 2.650 8.463 1.00 10.00 C ATOM 398 C HIS A 26 -6.002 3.849 7.757 1.00 10.00 C ATOM 399 O HIS A 26 -5.726 4.996 8.102 1.00 10.00 O ATOM 400 CB HIS A 26 -4.346 3.095 9.546 1.00 10.00 C ATOM 401 CG HIS A 26 -3.382 2.038 10.035 1.00 10.00 C ATOM 402 ND1 HIS A 26 -3.614 1.108 11.025 1.00 10.00 N ATOM 403 CD2 HIS A 26 -2.070 1.919 9.657 1.00 10.00 C ATOM 404 CE1 HIS A 26 -2.467 0.430 11.218 1.00 10.00 C ATOM 405 NE2 HIS A 26 -1.499 0.888 10.406 1.00 10.00 N ATOM 0 H HIS A 26 -5.237 0.843 7.422 1.00 10.00 H new ATOM 0 HA HIS A 26 -6.142 2.103 8.985 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -3.767 3.930 9.152 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -4.906 3.471 10.403 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -1.567 2.517 8.912 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -2.342 -0.373 11.929 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -0.538 0.550 10.348 1.00 10.00 H new ATOM 413 N TYR A 27 -6.851 3.591 6.752 1.00 10.00 N ATOM 414 CA TYR A 27 -7.623 4.585 5.991 1.00 10.00 C ATOM 415 C TYR A 27 -6.775 5.459 5.058 1.00 10.00 C ATOM 416 O TYR A 27 -7.221 5.808 3.963 1.00 10.00 O ATOM 417 CB TYR A 27 -8.527 5.431 6.901 1.00 10.00 C ATOM 418 CG TYR A 27 -9.565 4.608 7.636 1.00 10.00 C ATOM 419 CD1 TYR A 27 -10.684 4.130 6.933 1.00 10.00 C ATOM 420 CD2 TYR A 27 -9.362 4.222 8.974 1.00 10.00 C ATOM 421 CE1 TYR A 27 -11.582 3.241 7.549 1.00 10.00 C ATOM 422 CE2 TYR A 27 -10.278 3.360 9.601 1.00 10.00 C ATOM 423 CZ TYR A 27 -11.379 2.860 8.886 1.00 10.00 C ATOM 424 OH TYR A 27 -12.252 2.011 9.498 1.00 10.00 O ATOM 0 H TYR A 27 -7.027 2.639 6.432 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.266 4.001 5.332 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -7.909 5.959 7.627 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.031 6.188 6.300 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.855 4.447 5.915 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -8.504 4.588 9.518 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -12.425 2.852 6.997 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -10.135 3.081 10.635 1.00 10.00 H new ATOM 0 HH TYR A 27 -11.961 1.852 10.420 1.00 10.00 H new ATOM 434 N LYS A 28 -5.556 5.806 5.471 1.00 10.00 N ATOM 435 CA LYS A 28 -4.566 6.421 4.603 1.00 10.00 C ATOM 436 C LYS A 28 -4.315 5.540 3.377 1.00 10.00 C ATOM 437 O LYS A 28 -4.506 4.324 3.433 1.00 10.00 O ATOM 438 CB LYS A 28 -3.266 6.633 5.385 1.00 10.00 C ATOM 439 CG LYS A 28 -3.326 7.847 6.305 1.00 10.00 C ATOM 440 CD LYS A 28 -3.045 9.139 5.531 1.00 10.00 C ATOM 441 CE LYS A 28 -3.719 10.335 6.211 1.00 10.00 C ATOM 442 NZ LYS A 28 -3.720 11.524 5.339 1.00 10.00 N ATOM 0 H LYS A 28 -5.230 5.665 6.427 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.938 7.386 4.259 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.054 5.743 5.977 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.440 6.754 4.684 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -4.309 7.905 6.772 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -2.598 7.735 7.108 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -1.970 9.307 5.472 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -3.410 9.043 4.508 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -4.744 10.075 6.474 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -3.200 10.566 7.141 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -2.950 12.163 5.622 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -3.580 11.230 4.351 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -4.631 12.019 5.428 1.00 10.00 H new ATOM 456 N VAL A 29 -3.856 6.169 2.292 1.00 10.00 N ATOM 457 CA VAL A 29 -3.500 5.505 1.041 1.00 10.00 C ATOM 458 C VAL A 29 -2.012 5.696 0.768 1.00 10.00 C ATOM 459 O VAL A 29 -1.452 6.773 1.006 1.00 10.00 O ATOM 460 CB VAL A 29 -4.367 5.968 -0.138 1.00 10.00 C ATOM 461 CG1 VAL A 29 -3.873 5.412 -1.473 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.784 5.431 -0.011 1.00 10.00 C ATOM 0 H VAL A 29 -3.719 7.179 2.261 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.702 4.440 1.150 1.00 10.00 H new ATOM 0 HB VAL A 29 -4.320 7.057 -0.115 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.518 5.767 -2.276 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -2.852 5.749 -1.652 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -3.896 4.323 -1.444 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -6.380 5.772 -0.858 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -5.760 4.341 0.000 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -6.229 5.794 0.915 1.00 10.00 H new ATOM 472 N TYR A 30 -1.404 4.612 0.291 1.00 10.00 N ATOM 473 CA TYR A 30 0.023 4.383 0.217 1.00 10.00 C ATOM 474 C TYR A 30 0.324 3.930 -1.203 1.00 10.00 C ATOM 475 O TYR A 30 -0.306 2.969 -1.632 1.00 10.00 O ATOM 476 CB TYR A 30 0.330 3.259 1.216 1.00 10.00 C ATOM 477 CG TYR A 30 0.058 3.658 2.651 1.00 10.00 C ATOM 478 CD1 TYR A 30 -1.259 3.585 3.129 1.00 10.00 C ATOM 479 CD2 TYR A 30 1.054 4.235 3.460 1.00 10.00 C ATOM 480 CE1 TYR A 30 -1.569 4.076 4.401 1.00 10.00 C ATOM 481 CE2 TYR A 30 0.745 4.650 4.771 1.00 10.00 C ATOM 482 CZ TYR A 30 -0.556 4.503 5.262 1.00 10.00 C ATOM 483 OH TYR A 30 -0.821 4.678 6.588 1.00 10.00 O ATOM 0 H TYR A 30 -1.937 3.823 -0.076 1.00 10.00 H new ATOM 0 HA TYR A 30 0.618 5.266 0.452 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.270 2.384 0.967 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.375 2.967 1.117 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -2.033 3.150 2.515 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.056 4.360 3.076 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.600 4.125 4.720 1.00 10.00 H new ATOM 0 HE2 TYR A 30 1.513 5.081 5.396 1.00 10.00 H new ATOM 0 HH TYR A 30 -1.625 4.172 6.831 1.00 10.00 H new ATOM 493 N ASP A 31 1.249 4.565 -1.933 1.00 10.00 N ATOM 494 CA ASP A 31 1.817 3.928 -3.118 1.00 10.00 C ATOM 495 C ASP A 31 2.683 2.783 -2.637 1.00 10.00 C ATOM 496 O ASP A 31 2.942 2.702 -1.442 1.00 10.00 O ATOM 497 CB ASP A 31 2.722 4.883 -3.907 1.00 10.00 C ATOM 498 CG ASP A 31 3.910 5.360 -3.089 1.00 10.00 C ATOM 499 OD1 ASP A 31 3.639 6.021 -2.067 1.00 10.00 O ATOM 500 OD2 ASP A 31 5.051 5.055 -3.491 1.00 10.00 O ATOM 0 H ASP A 31 1.611 5.497 -1.728 1.00 10.00 H new ATOM 0 HA ASP A 31 1.001 3.609 -3.767 1.00 10.00 H new ATOM 0 HB2 ASP A 31 3.081 4.381 -4.805 1.00 10.00 H new ATOM 0 HB3 ASP A 31 2.140 5.744 -4.234 1.00 10.00 H new ATOM 505 N LEU A 32 3.221 1.991 -3.568 1.00 10.00 N ATOM 506 CA LEU A 32 4.638 1.678 -3.494 1.00 10.00 C ATOM 507 C LEU A 32 5.227 1.539 -4.905 1.00 10.00 C ATOM 508 O LEU A 32 6.022 2.363 -5.345 1.00 10.00 O ATOM 509 CB LEU A 32 4.962 0.416 -2.650 1.00 10.00 C ATOM 510 CG LEU A 32 4.036 0.036 -1.483 1.00 10.00 C ATOM 511 CD1 LEU A 32 4.164 -1.456 -1.179 1.00 10.00 C ATOM 512 CD2 LEU A 32 4.381 0.736 -0.170 1.00 10.00 C ATOM 0 H LEU A 32 2.716 1.573 -4.349 1.00 10.00 H new ATOM 0 HA LEU A 32 5.104 2.516 -2.975 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.997 -0.434 -3.331 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.966 0.541 -2.245 1.00 10.00 H new ATOM 0 HG LEU A 32 3.039 0.332 -1.810 1.00 10.00 H new ATOM 0 HD11 LEU A 32 3.505 -1.716 -0.351 1.00 10.00 H new ATOM 0 HD12 LEU A 32 3.884 -2.032 -2.061 1.00 10.00 H new ATOM 0 HD13 LEU A 32 5.195 -1.685 -0.908 1.00 10.00 H new ATOM 0 HD21 LEU A 32 3.685 0.418 0.606 1.00 10.00 H new ATOM 0 HD22 LEU A 32 5.397 0.475 0.125 1.00 10.00 H new ATOM 0 HD23 LEU A 32 4.308 1.815 -0.303 1.00 10.00 H new ATOM 524 N THR A 33 4.885 0.445 -5.598 1.00 10.00 N ATOM 525 CA THR A 33 5.539 -0.059 -6.807 1.00 10.00 C ATOM 526 C THR A 33 7.050 -0.279 -6.611 1.00 10.00 C ATOM 527 O THR A 33 7.507 -1.414 -6.549 1.00 10.00 O ATOM 528 CB THR A 33 5.210 0.797 -8.038 1.00 10.00 C ATOM 529 OG1 THR A 33 3.834 0.660 -8.290 1.00 10.00 O ATOM 530 CG2 THR A 33 5.934 0.321 -9.302 1.00 10.00 C ATOM 0 H THR A 33 4.102 -0.142 -5.312 1.00 10.00 H new ATOM 0 HA THR A 33 5.122 -1.047 -7.004 1.00 10.00 H new ATOM 0 HB THR A 33 5.520 1.820 -7.824 1.00 10.00 H new ATOM 0 HG1 THR A 33 3.555 -0.258 -8.091 1.00 10.00 H new ATOM 0 HG21 THR A 33 5.663 0.963 -10.140 1.00 10.00 H new ATOM 0 HG22 THR A 33 7.011 0.366 -9.143 1.00 10.00 H new ATOM 0 HG23 THR A 33 5.643 -0.706 -9.523 1.00 10.00 H new ATOM 538 N LYS A 34 7.839 0.789 -6.491 1.00 10.00 N ATOM 539 CA LYS A 34 9.298 0.749 -6.434 1.00 10.00 C ATOM 540 C LYS A 34 9.778 -0.156 -5.285 1.00 10.00 C ATOM 541 O LYS A 34 10.845 -0.769 -5.358 1.00 10.00 O ATOM 542 CB LYS A 34 9.809 2.197 -6.289 1.00 10.00 C ATOM 543 CG LYS A 34 11.179 2.513 -6.915 1.00 10.00 C ATOM 544 CD LYS A 34 12.362 1.793 -6.250 1.00 10.00 C ATOM 545 CE LYS A 34 12.828 0.573 -7.062 1.00 10.00 C ATOM 546 NZ LYS A 34 13.346 -0.498 -6.192 1.00 10.00 N ATOM 0 H LYS A 34 7.466 1.736 -6.429 1.00 10.00 H new ATOM 0 HA LYS A 34 9.704 0.317 -7.349 1.00 10.00 H new ATOM 0 HB2 LYS A 34 9.070 2.864 -6.733 1.00 10.00 H new ATOM 0 HB3 LYS A 34 9.857 2.436 -5.227 1.00 10.00 H new ATOM 0 HG2 LYS A 34 11.153 2.244 -7.971 1.00 10.00 H new ATOM 0 HG3 LYS A 34 11.349 3.588 -6.864 1.00 10.00 H new ATOM 0 HD2 LYS A 34 13.192 2.490 -6.136 1.00 10.00 H new ATOM 0 HD3 LYS A 34 12.074 1.473 -5.249 1.00 10.00 H new ATOM 0 HE2 LYS A 34 11.996 0.191 -7.653 1.00 10.00 H new ATOM 0 HE3 LYS A 34 13.604 0.878 -7.764 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 13.743 -1.260 -6.778 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 14.089 -0.114 -5.573 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 12.572 -0.877 -5.610 1.00 10.00 H new ATOM 560 N PHE A 35 8.987 -0.239 -4.213 1.00 10.00 N ATOM 561 CA PHE A 35 9.332 -1.006 -3.028 1.00 10.00 C ATOM 562 C PHE A 35 9.070 -2.487 -3.262 1.00 10.00 C ATOM 563 O PHE A 35 9.736 -3.323 -2.671 1.00 10.00 O ATOM 564 CB PHE A 35 8.496 -0.527 -1.840 1.00 10.00 C ATOM 565 CG PHE A 35 9.156 -0.808 -0.507 1.00 10.00 C ATOM 566 CD1 PHE A 35 10.178 0.048 -0.055 1.00 10.00 C ATOM 567 CD2 PHE A 35 8.928 -2.030 0.153 1.00 10.00 C ATOM 568 CE1 PHE A 35 10.940 -0.292 1.075 1.00 10.00 C ATOM 569 CE2 PHE A 35 9.738 -2.399 1.239 1.00 10.00 C ATOM 570 CZ PHE A 35 10.726 -1.522 1.717 1.00 10.00 C ATOM 0 H PHE A 35 8.084 0.230 -4.149 1.00 10.00 H new ATOM 0 HA PHE A 35 10.391 -0.860 -2.815 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.320 0.545 -1.934 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.521 -1.014 -1.868 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.377 0.971 -0.580 1.00 10.00 H new ATOM 0 HD2 PHE A 35 8.132 -2.682 -0.175 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.688 0.391 1.449 1.00 10.00 H new ATOM 0 HE2 PHE A 35 9.601 -3.362 1.709 1.00 10.00 H new ATOM 0 HZ PHE A 35 11.320 -1.794 2.577 1.00 10.00 H new ATOM 580 N LEU A 36 8.098 -2.819 -4.114 1.00 10.00 N ATOM 581 CA LEU A 36 7.725 -4.196 -4.412 1.00 10.00 C ATOM 582 C LEU A 36 8.961 -5.046 -4.727 1.00 10.00 C ATOM 583 O LEU A 36 9.079 -6.183 -4.281 1.00 10.00 O ATOM 584 CB LEU A 36 6.796 -4.214 -5.627 1.00 10.00 C ATOM 585 CG LEU A 36 5.427 -3.535 -5.508 1.00 10.00 C ATOM 586 CD1 LEU A 36 4.761 -3.684 -6.881 1.00 10.00 C ATOM 587 CD2 LEU A 36 4.534 -4.203 -4.462 1.00 10.00 C ATOM 0 H LEU A 36 7.544 -2.129 -4.620 1.00 10.00 H new ATOM 0 HA LEU A 36 7.225 -4.612 -3.538 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.327 -3.748 -6.457 1.00 10.00 H new ATOM 0 HB3 LEU A 36 6.627 -5.256 -5.901 1.00 10.00 H new ATOM 0 HG LEU A 36 5.560 -2.498 -5.201 1.00 10.00 H new ATOM 0 HD11 LEU A 36 3.776 -3.217 -6.860 1.00 10.00 H new ATOM 0 HD12 LEU A 36 5.377 -3.199 -7.639 1.00 10.00 H new ATOM 0 HD13 LEU A 36 4.656 -4.742 -7.122 1.00 10.00 H new ATOM 0 HD21 LEU A 36 3.576 -3.684 -4.417 1.00 10.00 H new ATOM 0 HD22 LEU A 36 4.370 -5.245 -4.736 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.018 -4.156 -3.487 1.00 10.00 H new ATOM 599 N GLU A 37 9.875 -4.460 -5.503 1.00 10.00 N ATOM 600 CA GLU A 37 11.155 -5.032 -5.892 1.00 10.00 C ATOM 601 C GLU A 37 11.987 -5.418 -4.661 1.00 10.00 C ATOM 602 O GLU A 37 12.595 -6.484 -4.610 1.00 10.00 O ATOM 603 CB GLU A 37 11.877 -3.960 -6.717 1.00 10.00 C ATOM 604 CG GLU A 37 13.050 -4.505 -7.532 1.00 10.00 C ATOM 605 CD GLU A 37 13.736 -3.377 -8.287 1.00 10.00 C ATOM 606 OE1 GLU A 37 14.302 -2.507 -7.587 1.00 10.00 O ATOM 607 OE2 GLU A 37 13.620 -3.346 -9.527 1.00 10.00 O ATOM 0 H GLU A 37 9.731 -3.529 -5.893 1.00 10.00 H new ATOM 0 HA GLU A 37 11.010 -5.945 -6.469 1.00 10.00 H new ATOM 0 HB2 GLU A 37 11.162 -3.490 -7.393 1.00 10.00 H new ATOM 0 HB3 GLU A 37 12.241 -3.181 -6.047 1.00 10.00 H new ATOM 0 HG2 GLU A 37 13.764 -4.996 -6.871 1.00 10.00 H new ATOM 0 HG3 GLU A 37 12.695 -5.259 -8.235 1.00 10.00 H new ATOM 614 N GLU A 38 12.031 -4.504 -3.690 1.00 10.00 N ATOM 615 CA GLU A 38 12.773 -4.630 -2.444 1.00 10.00 C ATOM 616 C GLU A 38 12.119 -5.708 -1.570 1.00 10.00 C ATOM 617 O GLU A 38 12.786 -6.592 -1.038 1.00 10.00 O ATOM 618 CB GLU A 38 12.772 -3.243 -1.765 1.00 10.00 C ATOM 619 CG GLU A 38 13.830 -3.053 -0.672 1.00 10.00 C ATOM 620 CD GLU A 38 13.544 -3.817 0.618 1.00 10.00 C ATOM 621 OE1 GLU A 38 12.348 -3.979 0.939 1.00 10.00 O ATOM 622 OE2 GLU A 38 14.533 -4.195 1.280 1.00 10.00 O ATOM 0 H GLU A 38 11.527 -3.620 -3.758 1.00 10.00 H new ATOM 0 HA GLU A 38 13.804 -4.940 -2.613 1.00 10.00 H new ATOM 0 HB2 GLU A 38 12.922 -2.481 -2.530 1.00 10.00 H new ATOM 0 HB3 GLU A 38 11.788 -3.069 -1.330 1.00 10.00 H new ATOM 0 HG2 GLU A 38 14.798 -3.369 -1.061 1.00 10.00 H new ATOM 0 HG3 GLU A 38 13.911 -1.991 -0.441 1.00 10.00 H new ATOM 629 N HIS A 39 10.797 -5.596 -1.439 1.00 10.00 N ATOM 630 CA HIS A 39 9.970 -6.221 -0.428 1.00 10.00 C ATOM 631 C HIS A 39 10.321 -7.692 -0.154 1.00 10.00 C ATOM 632 O HIS A 39 9.974 -8.547 -0.967 1.00 10.00 O ATOM 633 CB HIS A 39 8.500 -6.081 -0.853 1.00 10.00 C ATOM 634 CG HIS A 39 7.558 -6.493 0.242 1.00 10.00 C ATOM 635 ND1 HIS A 39 6.558 -7.440 0.175 1.00 10.00 N ATOM 636 CD2 HIS A 39 7.568 -5.977 1.508 1.00 10.00 C ATOM 637 CE1 HIS A 39 5.976 -7.467 1.388 1.00 10.00 C ATOM 638 NE2 HIS A 39 6.565 -6.603 2.239 1.00 10.00 N ATOM 0 H HIS A 39 10.247 -5.027 -2.083 1.00 10.00 H new ATOM 0 HA HIS A 39 10.156 -5.707 0.515 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.300 -5.047 -1.134 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.318 -6.692 -1.737 1.00 10.00 H new ATOM 0 HD1 HIS A 39 6.309 -8.008 -0.635 1.00 10.00 H new ATOM 0 HD2 HIS A 39 8.239 -5.215 1.876 1.00 10.00 H new ATOM 0 HE1 HIS A 39 5.141 -8.101 1.647 1.00 10.00 H new ATOM 646 N PRO A 40 10.907 -8.024 1.012 1.00 10.00 N ATOM 647 CA PRO A 40 11.155 -9.398 1.433 1.00 10.00 C ATOM 648 C PRO A 40 9.921 -10.296 1.319 1.00 10.00 C ATOM 649 O PRO A 40 10.027 -11.449 0.911 1.00 10.00 O ATOM 650 CB PRO A 40 11.648 -9.302 2.879 1.00 10.00 C ATOM 651 CG PRO A 40 12.345 -7.944 2.901 1.00 10.00 C ATOM 652 CD PRO A 40 11.455 -7.099 1.992 1.00 10.00 C ATOM 0 HA PRO A 40 11.890 -9.868 0.780 1.00 10.00 H new ATOM 0 HB2 PRO A 40 10.825 -9.347 3.592 1.00 10.00 H new ATOM 0 HB3 PRO A 40 12.332 -10.113 3.129 1.00 10.00 H new ATOM 0 HG2 PRO A 40 12.401 -7.533 3.909 1.00 10.00 H new ATOM 0 HG3 PRO A 40 13.366 -8.006 2.525 1.00 10.00 H new ATOM 0 HD2 PRO A 40 10.661 -6.615 2.561 1.00 10.00 H new ATOM 0 HD3 PRO A 40 12.028 -6.308 1.507 1.00 10.00 H new ATOM 660 N GLY A 41 8.740 -9.770 1.666 1.00 10.00 N ATOM 661 CA GLY A 41 7.490 -10.509 1.549 1.00 10.00 C ATOM 662 C GLY A 41 7.126 -10.863 0.101 1.00 10.00 C ATOM 663 O GLY A 41 6.281 -11.727 -0.105 1.00 10.00 O ATOM 0 H GLY A 41 8.631 -8.825 2.033 1.00 10.00 H new ATOM 0 HA2 GLY A 41 7.563 -11.427 2.132 1.00 10.00 H new ATOM 0 HA3 GLY A 41 6.685 -9.918 1.984 1.00 10.00 H new ATOM 667 N GLY A 42 7.724 -10.196 -0.893 1.00 10.00 N ATOM 668 CA GLY A 42 7.482 -10.431 -2.311 1.00 10.00 C ATOM 669 C GLY A 42 6.504 -9.410 -2.895 1.00 10.00 C ATOM 670 O GLY A 42 5.722 -8.800 -2.164 1.00 10.00 O ATOM 0 H GLY A 42 8.408 -9.458 -0.723 1.00 10.00 H new ATOM 0 HA2 GLY A 42 8.426 -10.383 -2.854 1.00 10.00 H new ATOM 0 HA3 GLY A 42 7.085 -11.436 -2.451 1.00 10.00 H new ATOM 674 N GLU A 43 6.564 -9.218 -4.218 1.00 10.00 N ATOM 675 CA GLU A 43 5.711 -8.289 -4.949 1.00 10.00 C ATOM 676 C GLU A 43 4.293 -8.860 -5.058 1.00 10.00 C ATOM 677 O GLU A 43 3.338 -8.216 -4.623 1.00 10.00 O ATOM 678 CB GLU A 43 6.366 -7.960 -6.304 1.00 10.00 C ATOM 679 CG GLU A 43 5.515 -7.113 -7.250 1.00 10.00 C ATOM 680 CD GLU A 43 5.035 -7.860 -8.480 1.00 10.00 C ATOM 681 OE1 GLU A 43 4.372 -8.901 -8.305 1.00 10.00 O ATOM 682 OE2 GLU A 43 5.198 -7.317 -9.592 1.00 10.00 O ATOM 0 H GLU A 43 7.222 -9.717 -4.817 1.00 10.00 H new ATOM 0 HA GLU A 43 5.610 -7.344 -4.416 1.00 10.00 H new ATOM 0 HB2 GLU A 43 7.304 -7.437 -6.118 1.00 10.00 H new ATOM 0 HB3 GLU A 43 6.616 -8.895 -6.805 1.00 10.00 H new ATOM 0 HG2 GLU A 43 4.650 -6.736 -6.705 1.00 10.00 H new ATOM 0 HG3 GLU A 43 6.095 -6.246 -7.567 1.00 10.00 H new ATOM 689 N GLU A 44 4.149 -10.075 -5.594 1.00 10.00 N ATOM 690 CA GLU A 44 2.860 -10.712 -5.847 1.00 10.00 C ATOM 691 C GLU A 44 1.936 -10.602 -4.632 1.00 10.00 C ATOM 692 O GLU A 44 0.823 -10.085 -4.727 1.00 10.00 O ATOM 693 CB GLU A 44 3.076 -12.182 -6.227 1.00 10.00 C ATOM 694 CG GLU A 44 3.912 -12.345 -7.503 1.00 10.00 C ATOM 695 CD GLU A 44 4.039 -13.816 -7.873 1.00 10.00 C ATOM 696 OE1 GLU A 44 4.732 -14.524 -7.112 1.00 10.00 O ATOM 697 OE2 GLU A 44 3.426 -14.205 -8.890 1.00 10.00 O ATOM 0 H GLU A 44 4.943 -10.653 -5.869 1.00 10.00 H new ATOM 0 HA GLU A 44 2.377 -10.194 -6.675 1.00 10.00 H new ATOM 0 HB2 GLU A 44 3.572 -12.697 -5.404 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.108 -12.663 -6.367 1.00 10.00 H new ATOM 0 HG2 GLU A 44 3.447 -11.797 -8.322 1.00 10.00 H new ATOM 0 HG3 GLU A 44 4.902 -11.915 -7.353 1.00 10.00 H new ATOM 704 N VAL A 45 2.433 -11.050 -3.476 1.00 10.00 N ATOM 705 CA VAL A 45 1.698 -11.057 -2.212 1.00 10.00 C ATOM 706 C VAL A 45 1.201 -9.655 -1.857 1.00 10.00 C ATOM 707 O VAL A 45 0.171 -9.489 -1.209 1.00 10.00 O ATOM 708 CB VAL A 45 2.545 -11.669 -1.062 1.00 10.00 C ATOM 709 CG1 VAL A 45 3.708 -12.541 -1.554 1.00 10.00 C ATOM 710 CG2 VAL A 45 3.153 -10.643 -0.089 1.00 10.00 C ATOM 0 H VAL A 45 3.378 -11.426 -3.393 1.00 10.00 H new ATOM 0 HA VAL A 45 0.824 -11.695 -2.342 1.00 10.00 H new ATOM 0 HB VAL A 45 1.802 -12.271 -0.538 1.00 10.00 H new ATOM 0 HG11 VAL A 45 4.255 -12.935 -0.697 1.00 10.00 H new ATOM 0 HG12 VAL A 45 3.317 -13.368 -2.146 1.00 10.00 H new ATOM 0 HG13 VAL A 45 4.379 -11.940 -2.168 1.00 10.00 H new ATOM 0 HG21 VAL A 45 3.726 -11.164 0.678 1.00 10.00 H new ATOM 0 HG22 VAL A 45 3.810 -9.967 -0.637 1.00 10.00 H new ATOM 0 HG23 VAL A 45 2.354 -10.070 0.381 1.00 10.00 H new ATOM 720 N LEU A 46 1.964 -8.637 -2.254 1.00 10.00 N ATOM 721 CA LEU A 46 1.658 -7.257 -1.958 1.00 10.00 C ATOM 722 C LEU A 46 0.676 -6.719 -3.003 1.00 10.00 C ATOM 723 O LEU A 46 -0.222 -5.953 -2.662 1.00 10.00 O ATOM 724 CB LEU A 46 2.991 -6.499 -1.841 1.00 10.00 C ATOM 725 CG LEU A 46 2.945 -5.120 -1.162 1.00 10.00 C ATOM 726 CD1 LEU A 46 1.963 -5.077 0.007 1.00 10.00 C ATOM 727 CD2 LEU A 46 4.337 -4.821 -0.590 1.00 10.00 C ATOM 0 H LEU A 46 2.819 -8.760 -2.796 1.00 10.00 H new ATOM 0 HA LEU A 46 1.144 -7.126 -1.006 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.692 -7.126 -1.290 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.399 -6.371 -2.844 1.00 10.00 H new ATOM 0 HG LEU A 46 2.628 -4.395 -1.912 1.00 10.00 H new ATOM 0 HD11 LEU A 46 1.969 -4.082 0.451 1.00 10.00 H new ATOM 0 HD12 LEU A 46 0.960 -5.308 -0.352 1.00 10.00 H new ATOM 0 HD13 LEU A 46 2.258 -5.811 0.757 1.00 10.00 H new ATOM 0 HD21 LEU A 46 4.328 -3.846 -0.103 1.00 10.00 H new ATOM 0 HD22 LEU A 46 4.604 -5.588 0.137 1.00 10.00 H new ATOM 0 HD23 LEU A 46 5.069 -4.816 -1.398 1.00 10.00 H new ATOM 739 N ARG A 47 0.773 -7.173 -4.260 1.00 10.00 N ATOM 740 CA ARG A 47 -0.198 -6.802 -5.284 1.00 10.00 C ATOM 741 C ARG A 47 -1.569 -7.351 -4.909 1.00 10.00 C ATOM 742 O ARG A 47 -2.564 -6.647 -5.029 1.00 10.00 O ATOM 743 CB ARG A 47 0.192 -7.275 -6.690 1.00 10.00 C ATOM 744 CG ARG A 47 -0.834 -6.703 -7.692 1.00 10.00 C ATOM 745 CD ARG A 47 -0.614 -7.095 -9.153 1.00 10.00 C ATOM 746 NE ARG A 47 0.601 -6.482 -9.703 1.00 10.00 N ATOM 747 CZ ARG A 47 1.813 -7.057 -9.736 1.00 10.00 C ATOM 748 NH1 ARG A 47 1.988 -8.276 -9.215 1.00 10.00 N ATOM 749 NH2 ARG A 47 2.836 -6.396 -10.282 1.00 10.00 N ATOM 0 H ARG A 47 1.513 -7.795 -4.586 1.00 10.00 H new ATOM 0 HA ARG A 47 -0.222 -5.713 -5.321 1.00 10.00 H new ATOM 0 HB2 ARG A 47 1.197 -6.936 -6.940 1.00 10.00 H new ATOM 0 HB3 ARG A 47 0.202 -8.364 -6.736 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -1.830 -7.029 -7.392 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -0.820 -5.616 -7.619 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -0.542 -8.180 -9.232 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -1.476 -6.789 -9.746 1.00 10.00 H new ATOM 0 HE ARG A 47 0.517 -5.543 -10.092 1.00 10.00 H new ATOM 0 HH11 ARG A 47 1.201 -8.768 -8.793 1.00 10.00 H new ATOM 0 HH12 ARG A 47 2.909 -8.714 -9.240 1.00 10.00 H new ATOM 0 HH21 ARG A 47 2.692 -5.463 -10.669 1.00 10.00 H new ATOM 0 HH22 ARG A 47 3.762 -6.824 -10.312 1.00 10.00 H new ATOM 763 N GLU A 48 -1.603 -8.606 -4.468 1.00 10.00 N ATOM 764 CA GLU A 48 -2.800 -9.289 -3.998 1.00 10.00 C ATOM 765 C GLU A 48 -3.624 -8.380 -3.070 1.00 10.00 C ATOM 766 O GLU A 48 -4.839 -8.272 -3.213 1.00 10.00 O ATOM 767 CB GLU A 48 -2.331 -10.581 -3.317 1.00 10.00 C ATOM 768 CG GLU A 48 -3.460 -11.469 -2.767 1.00 10.00 C ATOM 769 CD GLU A 48 -4.320 -12.109 -3.854 1.00 10.00 C ATOM 770 OE1 GLU A 48 -3.861 -12.136 -5.017 1.00 10.00 O ATOM 771 OE2 GLU A 48 -5.414 -12.590 -3.491 1.00 10.00 O ATOM 0 H GLU A 48 -0.770 -9.193 -4.428 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.472 -9.536 -4.820 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -1.748 -11.161 -4.033 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -1.661 -10.320 -2.497 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -3.025 -12.255 -2.150 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -4.098 -10.870 -2.117 1.00 10.00 H new ATOM 778 N GLN A 49 -2.955 -7.702 -2.128 1.00 10.00 N ATOM 779 CA GLN A 49 -3.599 -6.731 -1.249 1.00 10.00 C ATOM 780 C GLN A 49 -3.788 -5.366 -1.919 1.00 10.00 C ATOM 781 O GLN A 49 -4.708 -4.628 -1.566 1.00 10.00 O ATOM 782 CB GLN A 49 -2.748 -6.530 0.005 1.00 10.00 C ATOM 783 CG GLN A 49 -2.604 -7.778 0.881 1.00 10.00 C ATOM 784 CD GLN A 49 -3.896 -8.281 1.528 1.00 10.00 C ATOM 785 OE1 GLN A 49 -3.978 -9.452 1.885 1.00 10.00 O ATOM 786 NE2 GLN A 49 -4.897 -7.438 1.756 1.00 10.00 N ATOM 0 H GLN A 49 -1.956 -7.814 -1.958 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.582 -7.132 -1.003 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.755 -6.195 -0.295 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.187 -5.731 0.602 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.186 -8.581 0.274 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -1.882 -7.566 1.670 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -4.823 -6.466 1.457 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -5.740 -7.763 2.230 1.00 10.00 H new ATOM 795 N ALA A 50 -2.868 -4.984 -2.808 1.00 10.00 N ATOM 796 CA ALA A 50 -2.871 -3.669 -3.437 1.00 10.00 C ATOM 797 C ALA A 50 -4.169 -3.415 -4.201 1.00 10.00 C ATOM 798 O ALA A 50 -4.898 -4.337 -4.558 1.00 10.00 O ATOM 799 CB ALA A 50 -1.696 -3.535 -4.406 1.00 10.00 C ATOM 0 H ALA A 50 -2.099 -5.583 -3.110 1.00 10.00 H new ATOM 0 HA ALA A 50 -2.781 -2.932 -2.639 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -1.715 -2.547 -4.866 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -0.760 -3.665 -3.863 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -1.775 -4.298 -5.181 1.00 10.00 H new ATOM 805 N GLY A 51 -4.459 -2.136 -4.438 1.00 10.00 N ATOM 806 CA GLY A 51 -5.789 -1.679 -4.775 1.00 10.00 C ATOM 807 C GLY A 51 -6.813 -2.327 -3.869 1.00 10.00 C ATOM 808 O GLY A 51 -7.852 -2.821 -4.296 1.00 10.00 O ATOM 0 H GLY A 51 -3.766 -1.389 -4.399 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -5.843 -0.595 -4.679 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -6.010 -1.919 -5.815 1.00 10.00 H new ATOM 812 N GLY A 52 -6.508 -2.242 -2.577 1.00 10.00 N ATOM 813 CA GLY A 52 -7.372 -2.695 -1.536 1.00 10.00 C ATOM 814 C GLY A 52 -6.667 -2.391 -0.226 1.00 10.00 C ATOM 815 O GLY A 52 -5.579 -1.804 -0.172 1.00 10.00 O ATOM 0 H GLY A 52 -5.632 -1.846 -2.237 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -8.336 -2.188 -1.584 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.568 -3.763 -1.632 1.00 10.00 H new ATOM 819 N ASP A 53 -7.346 -2.794 0.831 1.00 10.00 N ATOM 820 CA ASP A 53 -6.821 -2.791 2.181 1.00 10.00 C ATOM 821 C ASP A 53 -5.608 -3.713 2.282 1.00 10.00 C ATOM 822 O ASP A 53 -5.563 -4.771 1.655 1.00 10.00 O ATOM 823 CB ASP A 53 -7.893 -3.235 3.185 1.00 10.00 C ATOM 824 CG ASP A 53 -7.257 -3.390 4.559 1.00 10.00 C ATOM 825 OD1 ASP A 53 -6.765 -2.361 5.069 1.00 10.00 O ATOM 826 OD2 ASP A 53 -7.133 -4.536 5.033 1.00 10.00 O ATOM 0 H ASP A 53 -8.303 -3.141 0.772 1.00 10.00 H new ATOM 0 HA ASP A 53 -6.517 -1.772 2.422 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -8.698 -2.501 3.224 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.337 -4.179 2.868 1.00 10.00 H new ATOM 831 N ALA A 54 -4.648 -3.330 3.120 1.00 10.00 N ATOM 832 CA ALA A 54 -3.713 -4.275 3.702 1.00 10.00 C ATOM 833 C ALA A 54 -3.412 -3.949 5.168 1.00 10.00 C ATOM 834 O ALA A 54 -2.366 -4.361 5.667 1.00 10.00 O ATOM 835 CB ALA A 54 -2.436 -4.300 2.862 1.00 10.00 C ATOM 0 H ALA A 54 -4.501 -2.363 3.410 1.00 10.00 H new ATOM 0 HA ALA A 54 -4.166 -5.266 3.694 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -1.730 -5.008 3.295 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -2.677 -4.604 1.843 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -1.990 -3.306 2.848 1.00 10.00 H new ATOM 841 N THR A 55 -4.286 -3.211 5.864 1.00 10.00 N ATOM 842 CA THR A 55 -4.011 -2.752 7.218 1.00 10.00 C ATOM 843 C THR A 55 -3.720 -3.942 8.135 1.00 10.00 C ATOM 844 O THR A 55 -2.653 -4.021 8.745 1.00 10.00 O ATOM 845 CB THR A 55 -5.175 -1.907 7.781 1.00 10.00 C ATOM 846 OG1 THR A 55 -5.580 -0.895 6.881 1.00 10.00 O ATOM 847 CG2 THR A 55 -4.720 -1.204 9.060 1.00 10.00 C ATOM 0 H THR A 55 -5.194 -2.921 5.502 1.00 10.00 H new ATOM 0 HA THR A 55 -3.129 -2.112 7.178 1.00 10.00 H new ATOM 0 HB THR A 55 -6.006 -2.590 7.960 1.00 10.00 H new ATOM 0 HG1 THR A 55 -6.185 -1.276 6.211 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.540 -0.607 9.459 1.00 10.00 H new ATOM 0 HG22 THR A 55 -4.421 -1.949 9.798 1.00 10.00 H new ATOM 0 HG23 THR A 55 -3.874 -0.554 8.837 1.00 10.00 H new ATOM 855 N GLU A 56 -4.674 -4.874 8.228 1.00 10.00 N ATOM 856 CA GLU A 56 -4.577 -6.012 9.104 1.00 10.00 C ATOM 857 C GLU A 56 -3.381 -6.832 8.670 1.00 10.00 C ATOM 858 O GLU A 56 -2.538 -7.121 9.494 1.00 10.00 O ATOM 859 CB GLU A 56 -5.876 -6.824 9.055 1.00 10.00 C ATOM 860 CG GLU A 56 -7.072 -5.992 9.543 1.00 10.00 C ATOM 861 CD GLU A 56 -8.334 -6.832 9.701 1.00 10.00 C ATOM 862 OE1 GLU A 56 -8.383 -7.920 9.087 1.00 10.00 O ATOM 863 OE2 GLU A 56 -9.228 -6.367 10.440 1.00 10.00 O ATOM 0 H GLU A 56 -5.538 -4.846 7.686 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.438 -5.699 10.139 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -6.058 -7.163 8.035 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -5.774 -7.716 9.673 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -6.824 -5.529 10.498 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -7.262 -5.184 8.837 1.00 10.00 H new ATOM 870 N ASN A 57 -3.271 -7.165 7.382 1.00 10.00 N ATOM 871 CA ASN A 57 -2.182 -7.998 6.880 1.00 10.00 C ATOM 872 C ASN A 57 -0.799 -7.404 7.204 1.00 10.00 C ATOM 873 O ASN A 57 0.134 -8.116 7.583 1.00 10.00 O ATOM 874 CB ASN A 57 -2.365 -8.239 5.375 1.00 10.00 C ATOM 875 CG ASN A 57 -1.671 -9.527 4.937 1.00 10.00 C ATOM 876 OD1 ASN A 57 -0.732 -9.984 5.575 1.00 10.00 O ATOM 877 ND2 ASN A 57 -2.122 -10.151 3.854 1.00 10.00 N ATOM 0 H ASN A 57 -3.931 -6.866 6.664 1.00 10.00 H new ATOM 0 HA ASN A 57 -2.222 -8.959 7.392 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -3.428 -8.296 5.139 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -1.960 -7.395 4.816 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -1.685 -11.020 3.547 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -2.905 -9.761 3.330 1.00 10.00 H new ATOM 884 N PHE A 58 -0.665 -6.082 7.074 1.00 10.00 N ATOM 885 CA PHE A 58 0.543 -5.361 7.451 1.00 10.00 C ATOM 886 C PHE A 58 0.853 -5.590 8.935 1.00 10.00 C ATOM 887 O PHE A 58 1.913 -6.117 9.270 1.00 10.00 O ATOM 888 CB PHE A 58 0.375 -3.874 7.112 1.00 10.00 C ATOM 889 CG PHE A 58 1.566 -2.993 7.437 1.00 10.00 C ATOM 890 CD1 PHE A 58 2.666 -2.946 6.566 1.00 10.00 C ATOM 891 CD2 PHE A 58 1.520 -2.130 8.547 1.00 10.00 C ATOM 892 CE1 PHE A 58 3.688 -1.998 6.765 1.00 10.00 C ATOM 893 CE2 PHE A 58 2.559 -1.211 8.773 1.00 10.00 C ATOM 894 CZ PHE A 58 3.642 -1.135 7.878 1.00 10.00 C ATOM 0 H PHE A 58 -1.400 -5.481 6.701 1.00 10.00 H new ATOM 0 HA PHE A 58 1.396 -5.737 6.886 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.158 -3.784 6.048 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.494 -3.493 7.648 1.00 10.00 H new ATOM 0 HD1 PHE A 58 2.729 -3.639 5.740 1.00 10.00 H new ATOM 0 HD2 PHE A 58 0.683 -2.174 9.228 1.00 10.00 H new ATOM 0 HE1 PHE A 58 4.507 -1.932 6.064 1.00 10.00 H new ATOM 0 HE2 PHE A 58 2.526 -0.562 9.635 1.00 10.00 H new ATOM 0 HZ PHE A 58 4.434 -0.419 8.043 1.00 10.00 H new ATOM 904 N GLU A 59 -0.073 -5.222 9.823 1.00 10.00 N ATOM 905 CA GLU A 59 0.128 -5.322 11.267 1.00 10.00 C ATOM 906 C GLU A 59 0.352 -6.767 11.721 1.00 10.00 C ATOM 907 O GLU A 59 1.157 -7.038 12.610 1.00 10.00 O ATOM 908 CB GLU A 59 -1.087 -4.705 11.970 1.00 10.00 C ATOM 909 CG GLU A 59 -1.201 -3.193 11.723 1.00 10.00 C ATOM 910 CD GLU A 59 -0.027 -2.422 12.306 1.00 10.00 C ATOM 911 OE1 GLU A 59 1.056 -2.394 11.685 1.00 10.00 O ATOM 912 OE2 GLU A 59 -0.164 -1.840 13.402 1.00 10.00 O ATOM 0 H GLU A 59 -0.984 -4.846 9.559 1.00 10.00 H new ATOM 0 HA GLU A 59 1.032 -4.776 11.536 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -1.994 -5.197 11.620 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -1.017 -4.891 13.042 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -1.259 -3.006 10.651 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -2.128 -2.825 12.162 1.00 10.00 H new ATOM 919 N ASP A 60 -0.360 -7.689 11.084 1.00 10.00 N ATOM 920 CA ASP A 60 -0.299 -9.126 11.271 1.00 10.00 C ATOM 921 C ASP A 60 1.151 -9.585 11.110 1.00 10.00 C ATOM 922 O ASP A 60 1.695 -10.291 11.956 1.00 10.00 O ATOM 923 CB ASP A 60 -1.226 -9.783 10.237 1.00 10.00 C ATOM 924 CG ASP A 60 -1.236 -11.293 10.396 1.00 10.00 C ATOM 925 OD1 ASP A 60 -1.850 -11.759 11.379 1.00 10.00 O ATOM 926 OD2 ASP A 60 -0.629 -11.951 9.524 1.00 10.00 O ATOM 0 H ASP A 60 -1.043 -7.429 10.373 1.00 10.00 H new ATOM 0 HA ASP A 60 -0.632 -9.415 12.268 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -2.238 -9.395 10.352 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -0.897 -9.522 9.231 1.00 10.00 H new ATOM 931 N HIS A 61 1.806 -9.088 10.057 1.00 10.00 N ATOM 932 CA HIS A 61 3.219 -9.328 9.791 1.00 10.00 C ATOM 933 C HIS A 61 4.136 -8.326 10.509 1.00 10.00 C ATOM 934 O HIS A 61 5.292 -8.162 10.120 1.00 10.00 O ATOM 935 CB HIS A 61 3.430 -9.321 8.274 1.00 10.00 C ATOM 936 CG HIS A 61 2.785 -10.507 7.611 1.00 10.00 C ATOM 937 ND1 HIS A 61 1.455 -10.630 7.280 1.00 10.00 N ATOM 938 CD2 HIS A 61 3.386 -11.713 7.374 1.00 10.00 C ATOM 939 CE1 HIS A 61 1.267 -11.888 6.843 1.00 10.00 C ATOM 940 NE2 HIS A 61 2.420 -12.579 6.855 1.00 10.00 N ATOM 0 H HIS A 61 1.358 -8.498 9.356 1.00 10.00 H new ATOM 0 HA HIS A 61 3.497 -10.302 10.195 1.00 10.00 H new ATOM 0 HB2 HIS A 61 3.018 -8.403 7.855 1.00 10.00 H new ATOM 0 HB3 HIS A 61 4.498 -9.320 8.056 1.00 10.00 H new ATOM 0 HD1 HIS A 61 0.744 -9.902 7.353 1.00 10.00 H new ATOM 0 HD2 HIS A 61 4.423 -11.953 7.556 1.00 10.00 H new ATOM 0 HE1 HIS A 61 0.316 -12.290 6.525 1.00 10.00 H new ATOM 948 N GLY A 62 3.661 -7.668 11.572 1.00 10.00 N ATOM 949 CA GLY A 62 4.465 -6.814 12.435 1.00 10.00 C ATOM 950 C GLY A 62 4.841 -5.493 11.767 1.00 10.00 C ATOM 951 O GLY A 62 4.348 -4.440 12.161 1.00 10.00 O ATOM 0 H GLY A 62 2.683 -7.720 11.858 1.00 10.00 H new ATOM 0 HA2 GLY A 62 3.914 -6.609 13.353 1.00 10.00 H new ATOM 0 HA3 GLY A 62 5.374 -7.344 12.720 1.00 10.00 H new ATOM 955 N HIS A 63 5.738 -5.555 10.782 1.00 10.00 N ATOM 956 CA HIS A 63 6.295 -4.422 10.058 1.00 10.00 C ATOM 957 C HIS A 63 6.905 -3.360 10.974 1.00 10.00 C ATOM 958 O HIS A 63 6.224 -2.451 11.460 1.00 10.00 O ATOM 959 CB HIS A 63 5.290 -3.858 9.060 1.00 10.00 C ATOM 960 CG HIS A 63 5.141 -4.784 7.888 1.00 10.00 C ATOM 961 ND1 HIS A 63 4.212 -5.783 7.761 1.00 10.00 N ATOM 962 CD2 HIS A 63 5.943 -4.814 6.781 1.00 10.00 C ATOM 963 CE1 HIS A 63 4.416 -6.370 6.570 1.00 10.00 C ATOM 964 NE2 HIS A 63 5.468 -5.820 5.938 1.00 10.00 N ATOM 0 H HIS A 63 6.112 -6.445 10.454 1.00 10.00 H new ATOM 0 HA HIS A 63 7.139 -4.797 9.478 1.00 10.00 H new ATOM 0 HB2 HIS A 63 4.324 -3.718 9.546 1.00 10.00 H new ATOM 0 HB3 HIS A 63 5.619 -2.877 8.717 1.00 10.00 H new ATOM 0 HD1 HIS A 63 3.498 -6.034 8.444 1.00 10.00 H new ATOM 0 HD2 HIS A 63 6.792 -4.174 6.593 1.00 10.00 H new ATOM 0 HE1 HIS A 63 3.816 -7.175 6.173 1.00 10.00 H new ATOM 972 N SER A 64 8.219 -3.511 11.153 1.00 10.00 N ATOM 973 CA SER A 64 9.153 -2.732 11.940 1.00 10.00 C ATOM 974 C SER A 64 9.093 -1.222 11.695 1.00 10.00 C ATOM 975 O SER A 64 8.505 -0.740 10.724 1.00 10.00 O ATOM 976 CB SER A 64 10.545 -3.281 11.590 1.00 10.00 C ATOM 977 OG SER A 64 10.451 -4.692 11.473 1.00 10.00 O ATOM 0 H SER A 64 8.703 -4.279 10.689 1.00 10.00 H new ATOM 0 HA SER A 64 8.901 -2.836 12.996 1.00 10.00 H new ATOM 0 HB2 SER A 64 10.901 -2.845 10.656 1.00 10.00 H new ATOM 0 HB3 SER A 64 11.265 -3.011 12.363 1.00 10.00 H new ATOM 0 HG SER A 64 11.331 -5.061 11.248 1.00 10.00 H new ATOM 983 N THR A 65 9.771 -0.489 12.581 1.00 10.00 N ATOM 984 CA THR A 65 10.015 0.945 12.550 1.00 10.00 C ATOM 985 C THR A 65 10.267 1.463 11.140 1.00 10.00 C ATOM 986 O THR A 65 9.694 2.461 10.722 1.00 10.00 O ATOM 987 CB THR A 65 11.252 1.197 13.431 1.00 10.00 C ATOM 988 OG1 THR A 65 12.125 0.072 13.380 1.00 10.00 O ATOM 989 CG2 THR A 65 10.822 1.372 14.889 1.00 10.00 C ATOM 0 H THR A 65 10.195 -0.922 13.401 1.00 10.00 H new ATOM 0 HA THR A 65 9.135 1.474 12.915 1.00 10.00 H new ATOM 0 HB THR A 65 11.755 2.091 13.063 1.00 10.00 H new ATOM 0 HG1 THR A 65 12.642 0.096 12.548 1.00 10.00 H new ATOM 0 HG21 THR A 65 11.701 1.550 15.509 1.00 10.00 H new ATOM 0 HG22 THR A 65 10.144 2.221 14.969 1.00 10.00 H new ATOM 0 HG23 THR A 65 10.315 0.469 15.230 1.00 10.00 H new ATOM 997 N ASP A 66 11.147 0.785 10.425 1.00 10.00 N ATOM 998 CA ASP A 66 11.660 1.175 9.130 1.00 10.00 C ATOM 999 C ASP A 66 10.528 1.173 8.096 1.00 10.00 C ATOM 1000 O ASP A 66 10.323 2.145 7.371 1.00 10.00 O ATOM 1001 CB ASP A 66 12.804 0.204 8.793 1.00 10.00 C ATOM 1002 CG ASP A 66 13.835 0.112 9.925 1.00 10.00 C ATOM 1003 OD1 ASP A 66 13.412 -0.271 11.047 1.00 10.00 O ATOM 1004 OD2 ASP A 66 15.005 0.453 9.661 1.00 10.00 O ATOM 0 H ASP A 66 11.541 -0.097 10.752 1.00 10.00 H new ATOM 0 HA ASP A 66 12.053 2.192 9.128 1.00 10.00 H new ATOM 0 HB2 ASP A 66 12.393 -0.786 8.597 1.00 10.00 H new ATOM 0 HB3 ASP A 66 13.299 0.531 7.878 1.00 10.00 H new ATOM 1009 N ALA A 67 9.751 0.086 8.070 1.00 10.00 N ATOM 1010 CA ALA A 67 8.573 -0.061 7.231 1.00 10.00 C ATOM 1011 C ALA A 67 7.520 0.972 7.629 1.00 10.00 C ATOM 1012 O ALA A 67 6.908 1.595 6.766 1.00 10.00 O ATOM 1013 CB ALA A 67 8.024 -1.486 7.350 1.00 10.00 C ATOM 0 H ALA A 67 9.934 -0.733 8.649 1.00 10.00 H new ATOM 0 HA ALA A 67 8.843 0.113 6.189 1.00 10.00 H new ATOM 0 HB1 ALA A 67 7.141 -1.590 6.719 1.00 10.00 H new ATOM 0 HB2 ALA A 67 8.785 -2.197 7.029 1.00 10.00 H new ATOM 0 HB3 ALA A 67 7.754 -1.687 8.387 1.00 10.00 H new ATOM 1019 N ARG A 68 7.318 1.159 8.937 1.00 10.00 N ATOM 1020 CA ARG A 68 6.494 2.220 9.514 1.00 10.00 C ATOM 1021 C ARG A 68 6.844 3.568 8.865 1.00 10.00 C ATOM 1022 O ARG A 68 6.019 4.182 8.187 1.00 10.00 O ATOM 1023 CB ARG A 68 6.733 2.269 11.038 1.00 10.00 C ATOM 1024 CG ARG A 68 5.519 1.954 11.909 1.00 10.00 C ATOM 1025 CD ARG A 68 5.439 0.449 12.178 1.00 10.00 C ATOM 1026 NE ARG A 68 4.321 0.165 13.085 1.00 10.00 N ATOM 1027 CZ ARG A 68 3.370 -0.759 12.888 1.00 10.00 C ATOM 1028 NH1 ARG A 68 3.556 -1.757 12.025 1.00 10.00 N ATOM 1029 NH2 ARG A 68 2.224 -0.644 13.562 1.00 10.00 N ATOM 0 H ARG A 68 7.738 0.556 9.644 1.00 10.00 H new ATOM 0 HA ARG A 68 5.440 2.016 9.324 1.00 10.00 H new ATOM 0 HB2 ARG A 68 7.527 1.565 11.285 1.00 10.00 H new ATOM 0 HB3 ARG A 68 7.096 3.263 11.299 1.00 10.00 H new ATOM 0 HG2 ARG A 68 5.588 2.496 12.852 1.00 10.00 H new ATOM 0 HG3 ARG A 68 4.609 2.291 11.413 1.00 10.00 H new ATOM 0 HD2 ARG A 68 5.305 -0.091 11.241 1.00 10.00 H new ATOM 0 HD3 ARG A 68 6.373 0.099 12.617 1.00 10.00 H new ATOM 0 HE ARG A 68 4.262 0.719 13.940 1.00 10.00 H new ATOM 0 HH11 ARG A 68 4.431 -1.825 11.504 1.00 10.00 H new ATOM 0 HH12 ARG A 68 2.824 -2.453 11.885 1.00 10.00 H new ATOM 0 HH21 ARG A 68 2.088 0.133 14.208 1.00 10.00 H new ATOM 0 HH22 ARG A 68 1.484 -1.333 13.431 1.00 10.00 H new ATOM 1043 N GLU A 69 8.084 4.015 9.076 1.00 10.00 N ATOM 1044 CA GLU A 69 8.657 5.237 8.538 1.00 10.00 C ATOM 1045 C GLU A 69 8.347 5.325 7.045 1.00 10.00 C ATOM 1046 O GLU A 69 7.716 6.280 6.592 1.00 10.00 O ATOM 1047 CB GLU A 69 10.169 5.251 8.835 1.00 10.00 C ATOM 1048 CG GLU A 69 10.812 6.645 8.767 1.00 10.00 C ATOM 1049 CD GLU A 69 10.308 7.600 9.840 1.00 10.00 C ATOM 1050 OE1 GLU A 69 9.638 7.149 10.799 1.00 10.00 O ATOM 1051 OE2 GLU A 69 10.451 8.829 9.660 1.00 10.00 O ATOM 0 H GLU A 69 8.745 3.502 9.659 1.00 10.00 H new ATOM 0 HA GLU A 69 8.220 6.118 9.009 1.00 10.00 H new ATOM 0 HB2 GLU A 69 10.337 4.834 9.828 1.00 10.00 H new ATOM 0 HB3 GLU A 69 10.673 4.596 8.125 1.00 10.00 H new ATOM 0 HG2 GLU A 69 11.893 6.543 8.862 1.00 10.00 H new ATOM 0 HG3 GLU A 69 10.618 7.078 7.786 1.00 10.00 H new ATOM 1058 N LEU A 70 8.727 4.282 6.301 1.00 10.00 N ATOM 1059 CA LEU A 70 8.453 4.207 4.874 1.00 10.00 C ATOM 1060 C LEU A 70 6.974 4.447 4.561 1.00 10.00 C ATOM 1061 O LEU A 70 6.644 5.174 3.631 1.00 10.00 O ATOM 1062 CB LEU A 70 8.916 2.865 4.277 1.00 10.00 C ATOM 1063 CG LEU A 70 10.094 2.973 3.292 1.00 10.00 C ATOM 1064 CD1 LEU A 70 10.056 4.212 2.387 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.411 2.946 4.065 1.00 10.00 C ATOM 0 H LEU A 70 9.229 3.475 6.673 1.00 10.00 H new ATOM 0 HA LEU A 70 9.028 5.006 4.406 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.201 2.199 5.092 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.073 2.400 3.765 1.00 10.00 H new ATOM 0 HG LEU A 70 10.008 2.113 2.627 1.00 10.00 H new ATOM 0 HD11 LEU A 70 10.923 4.207 1.726 1.00 10.00 H new ATOM 0 HD12 LEU A 70 9.144 4.198 1.790 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.074 5.112 3.001 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.244 3.022 3.367 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.442 3.785 4.760 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.488 2.011 4.620 1.00 10.00 H new ATOM 1077 N SER A 71 6.068 3.861 5.340 1.00 10.00 N ATOM 1078 CA SER A 71 4.644 4.055 5.135 1.00 10.00 C ATOM 1079 C SER A 71 4.298 5.535 5.247 1.00 10.00 C ATOM 1080 O SER A 71 3.542 6.037 4.420 1.00 10.00 O ATOM 1081 CB SER A 71 3.837 3.161 6.084 1.00 10.00 C ATOM 1082 OG SER A 71 4.265 1.817 5.971 1.00 10.00 O ATOM 0 H SER A 71 6.301 3.247 6.120 1.00 10.00 H new ATOM 0 HA SER A 71 4.369 3.747 4.126 1.00 10.00 H new ATOM 0 HB2 SER A 71 3.960 3.504 7.111 1.00 10.00 H new ATOM 0 HB3 SER A 71 2.775 3.233 5.849 1.00 10.00 H new ATOM 0 HG SER A 71 5.162 1.726 6.356 1.00 10.00 H new ATOM 1088 N LYS A 72 4.893 6.257 6.200 1.00 10.00 N ATOM 1089 CA LYS A 72 4.687 7.702 6.260 1.00 10.00 C ATOM 1090 C LYS A 72 5.104 8.325 4.927 1.00 10.00 C ATOM 1091 O LYS A 72 4.333 9.049 4.304 1.00 10.00 O ATOM 1092 CB LYS A 72 5.452 8.363 7.412 1.00 10.00 C ATOM 1093 CG LYS A 72 5.367 7.574 8.723 1.00 10.00 C ATOM 1094 CD LYS A 72 5.936 8.356 9.917 1.00 10.00 C ATOM 1095 CE LYS A 72 7.272 9.025 9.556 1.00 10.00 C ATOM 1096 NZ LYS A 72 8.151 9.243 10.720 1.00 10.00 N ATOM 0 H LYS A 72 5.505 5.876 6.922 1.00 10.00 H new ATOM 0 HA LYS A 72 3.627 7.877 6.447 1.00 10.00 H new ATOM 0 HB2 LYS A 72 6.499 8.473 7.129 1.00 10.00 H new ATOM 0 HB3 LYS A 72 5.058 9.366 7.573 1.00 10.00 H new ATOM 0 HG2 LYS A 72 4.326 7.318 8.923 1.00 10.00 H new ATOM 0 HG3 LYS A 72 5.911 6.636 8.615 1.00 10.00 H new ATOM 0 HD2 LYS A 72 5.220 9.115 10.233 1.00 10.00 H new ATOM 0 HD3 LYS A 72 6.080 7.682 10.761 1.00 10.00 H new ATOM 0 HE2 LYS A 72 7.794 8.406 8.826 1.00 10.00 H new ATOM 0 HE3 LYS A 72 7.072 9.983 9.076 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 9.047 9.665 10.404 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 7.684 9.884 11.392 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 8.343 8.333 11.186 1.00 10.00 H new ATOM 1110 N THR A 73 6.319 8.003 4.484 1.00 10.00 N ATOM 1111 CA THR A 73 6.889 8.457 3.224 1.00 10.00 C ATOM 1112 C THR A 73 5.941 8.177 2.051 1.00 10.00 C ATOM 1113 O THR A 73 5.809 9.012 1.159 1.00 10.00 O ATOM 1114 CB THR A 73 8.260 7.788 3.030 1.00 10.00 C ATOM 1115 OG1 THR A 73 8.937 7.771 4.273 1.00 10.00 O ATOM 1116 CG2 THR A 73 9.142 8.509 2.010 1.00 10.00 C ATOM 0 H THR A 73 6.950 7.400 5.012 1.00 10.00 H new ATOM 0 HA THR A 73 7.026 9.538 3.253 1.00 10.00 H new ATOM 0 HB THR A 73 8.076 6.783 2.651 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.813 7.345 4.163 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.095 7.987 1.919 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.642 8.522 1.042 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.319 9.532 2.341 1.00 10.00 H new ATOM 1124 N PHE A 74 5.279 7.015 2.053 1.00 10.00 N ATOM 1125 CA PHE A 74 4.372 6.615 0.987 1.00 10.00 C ATOM 1126 C PHE A 74 2.976 7.219 1.144 1.00 10.00 C ATOM 1127 O PHE A 74 2.136 6.992 0.279 1.00 10.00 O ATOM 1128 CB PHE A 74 4.257 5.087 0.914 1.00 10.00 C ATOM 1129 CG PHE A 74 5.548 4.319 0.741 1.00 10.00 C ATOM 1130 CD1 PHE A 74 6.454 4.652 -0.283 1.00 10.00 C ATOM 1131 CD2 PHE A 74 5.773 3.170 1.519 1.00 10.00 C ATOM 1132 CE1 PHE A 74 7.658 3.937 -0.416 1.00 10.00 C ATOM 1133 CE2 PHE A 74 6.941 2.420 1.338 1.00 10.00 C ATOM 1134 CZ PHE A 74 7.915 2.839 0.426 1.00 10.00 C ATOM 0 H PHE A 74 5.362 6.326 2.801 1.00 10.00 H new ATOM 0 HA PHE A 74 4.801 6.999 0.061 1.00 10.00 H new ATOM 0 HB2 PHE A 74 3.772 4.738 1.826 1.00 10.00 H new ATOM 0 HB3 PHE A 74 3.596 4.834 0.085 1.00 10.00 H new ATOM 0 HD1 PHE A 74 6.225 5.456 -0.966 1.00 10.00 H new ATOM 0 HD2 PHE A 74 5.045 2.866 2.256 1.00 10.00 H new ATOM 0 HE1 PHE A 74 8.383 4.230 -1.162 1.00 10.00 H new ATOM 0 HE2 PHE A 74 7.091 1.513 1.905 1.00 10.00 H new ATOM 0 HZ PHE A 74 8.861 2.322 0.368 1.00 10.00 H new ATOM 1144 N ILE A 75 2.666 7.945 2.226 1.00 10.00 N ATOM 1145 CA ILE A 75 1.358 8.609 2.300 1.00 10.00 C ATOM 1146 C ILE A 75 1.148 9.522 1.091 1.00 10.00 C ATOM 1147 O ILE A 75 1.768 10.577 0.979 1.00 10.00 O ATOM 1148 CB ILE A 75 1.128 9.355 3.629 1.00 10.00 C ATOM 1149 CG1 ILE A 75 0.849 8.297 4.701 1.00 10.00 C ATOM 1150 CG2 ILE A 75 -0.071 10.317 3.562 1.00 10.00 C ATOM 1151 CD1 ILE A 75 0.998 8.830 6.130 1.00 10.00 C ATOM 0 H ILE A 75 3.275 8.085 3.032 1.00 10.00 H new ATOM 0 HA ILE A 75 0.603 7.823 2.273 1.00 10.00 H new ATOM 0 HB ILE A 75 2.012 9.953 3.853 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.162 7.912 4.568 1.00 10.00 H new ATOM 0 HG13 ILE A 75 1.531 7.458 4.560 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -0.190 10.817 4.523 1.00 10.00 H new ATOM 0 HG22 ILE A 75 0.102 11.061 2.784 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -0.976 9.755 3.331 1.00 10.00 H new ATOM 0 HD11 ILE A 75 0.787 8.031 6.840 1.00 10.00 H new ATOM 0 HD12 ILE A 75 2.016 9.189 6.280 1.00 10.00 H new ATOM 0 HD13 ILE A 75 0.297 9.650 6.287 1.00 10.00 H new ATOM 1163 N ILE A 76 0.231 9.118 0.212 1.00 10.00 N ATOM 1164 CA ILE A 76 -0.127 9.842 -1.002 1.00 10.00 C ATOM 1165 C ILE A 76 -1.558 10.381 -0.915 1.00 10.00 C ATOM 1166 O ILE A 76 -1.930 11.238 -1.717 1.00 10.00 O ATOM 1167 CB ILE A 76 0.038 8.918 -2.227 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -0.597 7.540 -1.958 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.520 8.786 -2.604 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -0.943 6.739 -3.213 1.00 10.00 C ATOM 0 H ILE A 76 -0.297 8.253 0.331 1.00 10.00 H new ATOM 0 HA ILE A 76 0.541 10.696 -1.112 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.485 9.365 -3.073 1.00 10.00 H new ATOM 0 HG12 ILE A 76 0.088 6.953 -1.346 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -1.505 7.682 -1.372 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.618 8.131 -3.470 1.00 10.00 H new ATOM 0 HG22 ILE A 76 1.923 9.770 -2.845 1.00 10.00 H new ATOM 0 HG23 ILE A 76 2.073 8.364 -1.765 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -1.384 5.785 -2.925 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -1.655 7.300 -3.818 1.00 10.00 H new ATOM 0 HD13 ILE A 76 -0.037 6.560 -3.792 1.00 10.00 H new ATOM 1182 N GLY A 77 -2.387 9.848 -0.011 1.00 10.00 N ATOM 1183 CA GLY A 77 -3.837 9.925 -0.166 1.00 10.00 C ATOM 1184 C GLY A 77 -4.543 9.348 1.042 1.00 10.00 C ATOM 1185 O GLY A 77 -3.902 9.032 2.045 1.00 10.00 O ATOM 0 H GLY A 77 -2.077 9.362 0.830 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -4.137 10.964 -0.305 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -4.140 9.383 -1.062 1.00 10.00 H new ATOM 1189 N GLU A 78 -5.859 9.177 0.902 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.700 8.463 1.836 1.00 10.00 C ATOM 1191 C GLU A 78 -7.883 7.891 1.064 1.00 10.00 C ATOM 1192 O GLU A 78 -8.224 8.411 0.000 1.00 10.00 O ATOM 1193 CB GLU A 78 -7.255 9.426 2.884 1.00 10.00 C ATOM 1194 CG GLU A 78 -6.217 10.230 3.671 1.00 10.00 C ATOM 1195 CD GLU A 78 -6.833 11.057 4.792 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -7.880 10.641 5.326 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -6.183 12.067 5.145 1.00 10.00 O ATOM 0 H GLU A 78 -6.376 9.548 0.105 1.00 10.00 H new ATOM 0 HA GLU A 78 -6.118 7.681 2.323 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -7.927 10.126 2.387 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -7.856 8.855 3.592 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.480 9.547 4.093 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -5.684 10.892 2.989 1.00 10.00 H new ATOM 1204 N LEU A 79 -8.511 6.872 1.646 1.00 10.00 N ATOM 1205 CA LEU A 79 -9.752 6.256 1.195 1.00 10.00 C ATOM 1206 C LEU A 79 -10.882 7.271 1.232 1.00 10.00 C ATOM 1207 O LEU A 79 -11.232 7.755 2.308 1.00 10.00 O ATOM 1208 CB LEU A 79 -10.072 5.089 2.138 1.00 10.00 C ATOM 1209 CG LEU A 79 -11.444 4.461 1.850 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -11.478 3.854 0.449 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -11.774 3.397 2.894 1.00 10.00 C ATOM 0 H LEU A 79 -8.146 6.432 2.491 1.00 10.00 H new ATOM 0 HA LEU A 79 -9.643 5.900 0.171 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -9.299 4.326 2.042 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -10.046 5.441 3.169 1.00 10.00 H new ATOM 0 HG LEU A 79 -12.196 5.248 1.903 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -12.459 3.415 0.266 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -11.286 4.632 -0.289 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -10.714 3.081 0.369 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -12.749 2.962 2.675 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -11.015 2.615 2.870 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.794 3.853 3.884 1.00 10.00 H new ATOM 1223 N HIS A 80 -11.470 7.591 0.078 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.487 8.616 0.030 1.00 10.00 C ATOM 1225 C HIS A 80 -13.671 8.303 0.932 1.00 10.00 C ATOM 1226 O HIS A 80 -14.290 7.268 0.757 1.00 10.00 O ATOM 1227 CB HIS A 80 -12.957 8.870 -1.392 1.00 10.00 C ATOM 1228 CG HIS A 80 -13.784 10.119 -1.439 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -15.155 10.201 -1.318 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -13.268 11.332 -1.083 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -15.446 11.452 -0.917 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -14.326 12.177 -0.752 1.00 10.00 N ATOM 0 H HIS A 80 -11.256 7.156 -0.819 1.00 10.00 H new ATOM 0 HA HIS A 80 -12.020 9.526 0.407 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -12.098 8.966 -2.057 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -13.542 8.022 -1.748 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -12.220 11.592 -1.062 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -16.446 11.824 -0.750 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -14.263 13.148 -0.447 1.00 10.00 H new