USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 471 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 33 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 37 ASN : amide:sc= 0.664 K(o=0.66,f=-0.017) USER MOD Single : A 1 TRP N :NH3+ 148:sc= 0.44 (180deg=0.0689) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 157:sc= -0.155 (180deg=-0.737) USER MOD Single : A 8 THR OG1 : rot 58:sc= 0.557 USER MOD Single : A 10 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0588) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.56) USER MOD Single : A 19 ASN : amide:sc= 0.0363 X(o=0.036,f=-0.015) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -157:sc= 0 (180deg=-0.0557) USER MOD Single : A 29 SER OG : rot -45:sc= 0.323 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.229 F(o=-1.2,f=-0.23) USER MOD Single : A 35 CYS SG : rot -66:sc= -4.17! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.94 X(o=-0.94,f=-0.48) USER MOD Single : A 54 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.61) USER MOD Single : A 55 HIS : no HD1:sc= -0.0918 X(o=-0.092,f=-0.092) USER MOD Single : A 56 LYS NZ :NH3+ -150:sc= 0.259 (180deg=-0.0814) USER MOD Single : A 58 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000319) USER MOD Single : A 59 MET CE :methyl 145:sc= -0.239 (180deg=-1) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 1.210 2.171 -1.139 1.00 0.00 N ATOM 2 CA TRP A 1 2.228 1.590 -2.042 1.00 0.00 C ATOM 3 C TRP A 1 2.163 0.048 -1.998 1.00 0.00 C ATOM 4 O TRP A 1 2.629 -0.575 -1.037 1.00 0.00 O ATOM 5 CB TRP A 1 3.652 2.087 -1.668 1.00 0.00 C ATOM 6 CG TRP A 1 3.834 3.594 -1.736 1.00 0.00 C ATOM 7 CD1 TRP A 1 3.508 4.509 -0.771 1.00 0.00 C ATOM 8 CD2 TRP A 1 4.407 4.349 -2.814 1.00 0.00 C ATOM 9 NE1 TRP A 1 3.837 5.772 -1.187 1.00 0.00 N ATOM 10 CE2 TRP A 1 4.388 5.702 -2.435 1.00 0.00 C ATOM 11 CE3 TRP A 1 4.931 4.007 -4.062 1.00 0.00 C ATOM 12 CZ2 TRP A 1 4.874 6.715 -3.257 1.00 0.00 C ATOM 13 CZ3 TRP A 1 5.415 5.008 -4.875 1.00 0.00 C ATOM 14 CH2 TRP A 1 5.384 6.348 -4.472 1.00 0.00 C ATOM 0 H1 TRP A 1 1.563 3.069 -0.750 1.00 0.00 H new ATOM 0 H2 TRP A 1 0.333 2.345 -1.671 1.00 0.00 H new ATOM 0 H3 TRP A 1 1.017 1.508 -0.361 1.00 0.00 H new ATOM 0 HA TRP A 1 2.013 1.921 -3.058 1.00 0.00 H new ATOM 0 HB2 TRP A 1 3.886 1.751 -0.658 1.00 0.00 H new ATOM 0 HB3 TRP A 1 4.374 1.617 -2.336 1.00 0.00 H new ATOM 0 HD1 TRP A 1 3.057 4.270 0.181 1.00 0.00 H new ATOM 0 HE1 TRP A 1 3.694 6.628 -0.651 1.00 0.00 H new ATOM 0 HE3 TRP A 1 4.956 2.976 -4.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 4.849 7.749 -2.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 5.826 4.754 -5.841 1.00 0.00 H new ATOM 0 HH2 TRP A 1 5.771 7.108 -5.134 1.00 0.00 H new ATOM 25 N THR A 2 1.536 -0.540 -3.030 1.00 0.00 N ATOM 26 CA THR A 2 1.509 -2.000 -3.271 1.00 0.00 C ATOM 27 C THR A 2 2.883 -2.457 -3.851 1.00 0.00 C ATOM 28 O THR A 2 3.703 -1.612 -4.227 1.00 0.00 O ATOM 29 CB THR A 2 0.327 -2.327 -4.257 1.00 0.00 C ATOM 30 OG1 THR A 2 -0.834 -1.572 -3.877 1.00 0.00 O ATOM 31 CG2 THR A 2 -0.047 -3.823 -4.286 1.00 0.00 C ATOM 0 H THR A 2 1.024 -0.009 -3.734 1.00 0.00 H new ATOM 0 HA THR A 2 1.344 -2.541 -2.339 1.00 0.00 H new ATOM 0 HB THR A 2 0.670 -2.056 -5.256 1.00 0.00 H new ATOM 0 HG1 THR A 2 -1.571 -1.773 -4.491 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.868 -3.979 -4.985 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.816 -4.408 -4.604 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.354 -4.141 -3.289 1.00 0.00 H new ATOM 39 N GLU A 3 3.117 -3.785 -3.947 1.00 0.00 N ATOM 40 CA GLU A 3 4.435 -4.373 -4.304 1.00 0.00 C ATOM 41 C GLU A 3 4.939 -3.971 -5.716 1.00 0.00 C ATOM 42 O GLU A 3 6.143 -4.051 -5.989 1.00 0.00 O ATOM 43 CB GLU A 3 4.372 -5.917 -4.206 1.00 0.00 C ATOM 44 CG GLU A 3 4.009 -6.461 -2.812 1.00 0.00 C ATOM 45 CD GLU A 3 4.005 -7.997 -2.744 1.00 0.00 C ATOM 46 OE1 GLU A 3 5.082 -8.594 -2.525 1.00 0.00 O ATOM 47 OE2 GLU A 3 2.930 -8.615 -2.911 1.00 0.00 O ATOM 0 H GLU A 3 2.395 -4.486 -3.779 1.00 0.00 H new ATOM 0 HA GLU A 3 5.148 -3.967 -3.586 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.640 -6.283 -4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.339 -6.325 -4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.719 -6.073 -2.081 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.025 -6.089 -2.529 1.00 0.00 H new ATOM 54 N GLU A 4 4.011 -3.558 -6.587 1.00 0.00 N ATOM 55 CA GLU A 4 4.300 -3.205 -7.989 1.00 0.00 C ATOM 56 C GLU A 4 5.061 -1.867 -8.074 1.00 0.00 C ATOM 57 O GLU A 4 6.128 -1.781 -8.696 1.00 0.00 O ATOM 58 CB GLU A 4 2.974 -3.152 -8.813 1.00 0.00 C ATOM 59 CG GLU A 4 2.213 -4.505 -8.933 1.00 0.00 C ATOM 60 CD GLU A 4 1.400 -4.924 -7.684 1.00 0.00 C ATOM 61 OE1 GLU A 4 1.961 -5.573 -6.770 1.00 0.00 O ATOM 62 OE2 GLU A 4 0.196 -4.604 -7.613 1.00 0.00 O ATOM 0 H GLU A 4 3.027 -3.457 -6.339 1.00 0.00 H new ATOM 0 HA GLU A 4 4.941 -3.975 -8.417 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.310 -2.419 -8.355 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.203 -2.792 -9.816 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.534 -4.446 -9.784 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.936 -5.290 -9.155 1.00 0.00 H new ATOM 69 N GLU A 5 4.509 -0.837 -7.413 1.00 0.00 N ATOM 70 CA GLU A 5 5.108 0.518 -7.357 1.00 0.00 C ATOM 71 C GLU A 5 6.273 0.547 -6.348 1.00 0.00 C ATOM 72 O GLU A 5 7.209 1.341 -6.490 1.00 0.00 O ATOM 73 CB GLU A 5 4.050 1.613 -7.027 1.00 0.00 C ATOM 74 CG GLU A 5 3.204 1.373 -5.740 1.00 0.00 C ATOM 75 CD GLU A 5 1.827 0.709 -5.969 1.00 0.00 C ATOM 76 OE1 GLU A 5 1.754 -0.349 -6.623 1.00 0.00 O ATOM 77 OE2 GLU A 5 0.811 1.231 -5.459 1.00 0.00 O ATOM 0 H GLU A 5 3.632 -0.915 -6.899 1.00 0.00 H new ATOM 0 HA GLU A 5 5.499 0.748 -8.348 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.563 2.569 -6.928 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.370 1.702 -7.874 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.781 0.749 -5.057 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.049 2.331 -5.243 1.00 0.00 H new ATOM 84 N MET A 6 6.173 -0.311 -5.314 1.00 0.00 N ATOM 85 CA MET A 6 7.286 -0.623 -4.381 1.00 0.00 C ATOM 86 C MET A 6 8.483 -1.202 -5.167 1.00 0.00 C ATOM 87 O MET A 6 9.643 -0.903 -4.873 1.00 0.00 O ATOM 88 CB MET A 6 6.799 -1.651 -3.319 1.00 0.00 C ATOM 89 CG MET A 6 7.841 -2.101 -2.277 1.00 0.00 C ATOM 90 SD MET A 6 8.205 -0.849 -1.032 1.00 0.00 S ATOM 91 CE MET A 6 6.611 -0.662 -0.230 1.00 0.00 C ATOM 0 H MET A 6 5.313 -0.814 -5.097 1.00 0.00 H new ATOM 0 HA MET A 6 7.604 0.290 -3.878 1.00 0.00 H new ATOM 0 HB2 MET A 6 5.950 -1.219 -2.789 1.00 0.00 H new ATOM 0 HB3 MET A 6 6.433 -2.535 -3.841 1.00 0.00 H new ATOM 0 HG2 MET A 6 7.480 -3.001 -1.780 1.00 0.00 H new ATOM 0 HG3 MET A 6 8.764 -2.369 -2.791 1.00 0.00 H new ATOM 0 HE1 MET A 6 6.754 -0.262 0.774 1.00 0.00 H new ATOM 0 HE2 MET A 6 5.991 0.023 -0.809 1.00 0.00 H new ATOM 0 HE3 MET A 6 6.119 -1.633 -0.168 1.00 0.00 H new ATOM 101 N GLY A 7 8.157 -2.028 -6.184 1.00 0.00 N ATOM 102 CA GLY A 7 9.144 -2.633 -7.076 1.00 0.00 C ATOM 103 C GLY A 7 9.687 -1.663 -8.123 1.00 0.00 C ATOM 104 O GLY A 7 10.822 -1.819 -8.590 1.00 0.00 O ATOM 0 H GLY A 7 7.195 -2.289 -6.402 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.973 -3.017 -6.482 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.692 -3.486 -7.581 1.00 0.00 H new ATOM 108 N THR A 8 8.868 -0.660 -8.501 1.00 0.00 N ATOM 109 CA THR A 8 9.294 0.436 -9.397 1.00 0.00 C ATOM 110 C THR A 8 10.251 1.386 -8.638 1.00 0.00 C ATOM 111 O THR A 8 11.174 1.964 -9.223 1.00 0.00 O ATOM 112 CB THR A 8 8.057 1.234 -9.943 1.00 0.00 C ATOM 113 OG1 THR A 8 7.058 0.324 -10.422 1.00 0.00 O ATOM 114 CG2 THR A 8 8.445 2.205 -11.086 1.00 0.00 C ATOM 0 H THR A 8 7.898 -0.587 -8.196 1.00 0.00 H new ATOM 0 HA THR A 8 9.815 0.002 -10.250 1.00 0.00 H new ATOM 0 HB THR A 8 7.666 1.825 -9.114 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.792 -0.281 -9.698 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.557 2.734 -11.431 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.177 2.925 -10.719 1.00 0.00 H new ATOM 0 HG23 THR A 8 8.875 1.640 -11.913 1.00 0.00 H new ATOM 122 N ALA A 9 10.001 1.527 -7.319 1.00 0.00 N ATOM 123 CA ALA A 9 10.848 2.312 -6.398 1.00 0.00 C ATOM 124 C ALA A 9 12.114 1.528 -6.021 1.00 0.00 C ATOM 125 O ALA A 9 13.145 2.116 -5.748 1.00 0.00 O ATOM 126 CB ALA A 9 10.043 2.704 -5.150 1.00 0.00 C ATOM 0 H ALA A 9 9.199 1.095 -6.860 1.00 0.00 H new ATOM 0 HA ALA A 9 11.165 3.225 -6.902 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.675 3.283 -4.476 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.183 3.305 -5.446 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.699 1.803 -4.641 1.00 0.00 H new ATOM 132 N LYS A 10 12.005 0.193 -6.016 1.00 0.00 N ATOM 133 CA LYS A 10 13.151 -0.721 -5.841 1.00 0.00 C ATOM 134 C LYS A 10 14.115 -0.547 -7.027 1.00 0.00 C ATOM 135 O LYS A 10 15.324 -0.387 -6.844 1.00 0.00 O ATOM 136 CB LYS A 10 12.614 -2.189 -5.707 1.00 0.00 C ATOM 137 CG LYS A 10 13.654 -3.351 -5.698 1.00 0.00 C ATOM 138 CD LYS A 10 14.063 -3.857 -7.111 1.00 0.00 C ATOM 139 CE LYS A 10 14.885 -5.163 -7.077 1.00 0.00 C ATOM 140 NZ LYS A 10 16.108 -5.052 -6.235 1.00 0.00 N ATOM 0 H LYS A 10 11.115 -0.291 -6.134 1.00 0.00 H new ATOM 0 HA LYS A 10 13.707 -0.491 -4.932 1.00 0.00 H new ATOM 0 HB2 LYS A 10 12.037 -2.250 -4.784 1.00 0.00 H new ATOM 0 HB3 LYS A 10 11.921 -2.367 -6.529 1.00 0.00 H new ATOM 0 HG2 LYS A 10 14.548 -3.018 -5.172 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.243 -4.186 -5.131 1.00 0.00 H new ATOM 0 HD2 LYS A 10 13.164 -4.017 -7.706 1.00 0.00 H new ATOM 0 HD3 LYS A 10 14.644 -3.083 -7.612 1.00 0.00 H new ATOM 0 HE2 LYS A 10 14.260 -5.971 -6.697 1.00 0.00 H new ATOM 0 HE3 LYS A 10 15.172 -5.433 -8.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 16.690 -5.905 -6.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 16.655 -4.216 -6.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 15.834 -4.957 -5.236 1.00 0.00 H new ATOM 154 N LYS A 11 13.522 -0.554 -8.234 1.00 0.00 N ATOM 155 CA LYS A 11 14.219 -0.329 -9.515 1.00 0.00 C ATOM 156 C LYS A 11 14.808 1.096 -9.575 1.00 0.00 C ATOM 157 O LYS A 11 15.945 1.291 -10.032 1.00 0.00 O ATOM 158 CB LYS A 11 13.207 -0.552 -10.682 1.00 0.00 C ATOM 159 CG LYS A 11 13.720 -0.189 -12.097 1.00 0.00 C ATOM 160 CD LYS A 11 14.886 -1.083 -12.581 1.00 0.00 C ATOM 161 CE LYS A 11 15.418 -0.655 -13.959 1.00 0.00 C ATOM 162 NZ LYS A 11 16.460 -1.585 -14.460 1.00 0.00 N ATOM 0 H LYS A 11 12.522 -0.720 -8.350 1.00 0.00 H new ATOM 0 HA LYS A 11 15.047 -1.032 -9.606 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.907 -1.600 -10.683 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.312 0.036 -10.479 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.895 -0.268 -12.805 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.045 0.851 -12.101 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.697 -1.044 -11.853 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.550 -2.119 -12.630 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.593 -0.615 -14.671 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.831 0.352 -13.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.794 -1.263 -15.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 17.258 -1.604 -13.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.059 -2.541 -14.547 1.00 0.00 H new ATOM 176 N GLY A 12 14.020 2.072 -9.095 1.00 0.00 N ATOM 177 CA GLY A 12 14.408 3.480 -9.113 1.00 0.00 C ATOM 178 C GLY A 12 15.600 3.757 -8.211 1.00 0.00 C ATOM 179 O GLY A 12 16.640 4.215 -8.672 1.00 0.00 O ATOM 0 H GLY A 12 13.101 1.902 -8.686 1.00 0.00 H new ATOM 0 HA2 GLY A 12 14.650 3.776 -10.134 1.00 0.00 H new ATOM 0 HA3 GLY A 12 13.564 4.092 -8.796 1.00 0.00 H new ATOM 183 N LEU A 13 15.436 3.447 -6.919 1.00 0.00 N ATOM 184 CA LEU A 13 16.467 3.655 -5.875 1.00 0.00 C ATOM 185 C LEU A 13 17.753 2.864 -6.209 1.00 0.00 C ATOM 186 O LEU A 13 18.847 3.311 -5.870 1.00 0.00 O ATOM 187 CB LEU A 13 15.889 3.266 -4.482 1.00 0.00 C ATOM 188 CG LEU A 13 14.816 4.246 -3.873 1.00 0.00 C ATOM 189 CD1 LEU A 13 13.914 3.552 -2.825 1.00 0.00 C ATOM 190 CD2 LEU A 13 15.490 5.492 -3.255 1.00 0.00 C ATOM 0 H LEU A 13 14.574 3.039 -6.557 1.00 0.00 H new ATOM 0 HA LEU A 13 16.742 4.709 -5.844 1.00 0.00 H new ATOM 0 HB2 LEU A 13 15.441 2.275 -4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 13 16.717 3.186 -3.778 1.00 0.00 H new ATOM 0 HG LEU A 13 14.178 4.562 -4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.191 4.269 -2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.385 2.722 -3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.529 3.176 -2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.727 6.151 -2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 13 16.170 5.182 -2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 13 16.050 6.023 -4.025 1.00 0.00 H new ATOM 202 N LEU A 14 17.600 1.710 -6.906 1.00 0.00 N ATOM 203 CA LEU A 14 18.742 0.931 -7.442 1.00 0.00 C ATOM 204 C LEU A 14 19.528 1.806 -8.446 1.00 0.00 C ATOM 205 O LEU A 14 20.666 2.172 -8.189 1.00 0.00 O ATOM 206 CB LEU A 14 18.217 -0.388 -8.126 1.00 0.00 C ATOM 207 CG LEU A 14 19.222 -1.586 -8.347 1.00 0.00 C ATOM 208 CD1 LEU A 14 18.464 -2.847 -8.840 1.00 0.00 C ATOM 209 CD2 LEU A 14 20.380 -1.249 -9.317 1.00 0.00 C ATOM 0 H LEU A 14 16.690 1.297 -7.110 1.00 0.00 H new ATOM 0 HA LEU A 14 19.411 0.645 -6.630 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.386 -0.761 -7.527 1.00 0.00 H new ATOM 0 HB3 LEU A 14 17.811 -0.115 -9.100 1.00 0.00 H new ATOM 0 HG LEU A 14 19.677 -1.783 -7.376 1.00 0.00 H new ATOM 0 HD11 LEU A 14 19.172 -3.663 -8.987 1.00 0.00 H new ATOM 0 HD12 LEU A 14 17.723 -3.140 -8.097 1.00 0.00 H new ATOM 0 HD13 LEU A 14 17.964 -2.626 -9.783 1.00 0.00 H new ATOM 0 HD21 LEU A 14 21.031 -2.117 -9.422 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.972 -0.982 -10.292 1.00 0.00 H new ATOM 0 HD23 LEU A 14 20.954 -0.411 -8.921 1.00 0.00 H new ATOM 221 N GLU A 15 18.850 2.215 -9.532 1.00 0.00 N ATOM 222 CA GLU A 15 19.487 2.876 -10.693 1.00 0.00 C ATOM 223 C GLU A 15 20.008 4.273 -10.306 1.00 0.00 C ATOM 224 O GLU A 15 21.210 4.556 -10.414 1.00 0.00 O ATOM 225 CB GLU A 15 18.461 2.942 -11.872 1.00 0.00 C ATOM 226 CG GLU A 15 18.995 3.475 -13.236 1.00 0.00 C ATOM 227 CD GLU A 15 19.123 5.015 -13.348 1.00 0.00 C ATOM 228 OE1 GLU A 15 18.085 5.696 -13.479 1.00 0.00 O ATOM 229 OE2 GLU A 15 20.257 5.545 -13.297 1.00 0.00 O ATOM 0 H GLU A 15 17.842 2.098 -9.633 1.00 0.00 H new ATOM 0 HA GLU A 15 20.351 2.296 -11.018 1.00 0.00 H new ATOM 0 HB2 GLU A 15 18.061 1.941 -12.031 1.00 0.00 H new ATOM 0 HB3 GLU A 15 17.628 3.573 -11.563 1.00 0.00 H new ATOM 0 HG2 GLU A 15 19.974 3.032 -13.421 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.332 3.125 -14.027 1.00 0.00 H new ATOM 236 N HIS A 16 19.077 5.126 -9.865 1.00 0.00 N ATOM 237 CA HIS A 16 19.360 6.530 -9.507 1.00 0.00 C ATOM 238 C HIS A 16 20.307 6.625 -8.284 1.00 0.00 C ATOM 239 O HIS A 16 21.019 7.616 -8.134 1.00 0.00 O ATOM 240 CB HIS A 16 18.040 7.295 -9.243 1.00 0.00 C ATOM 241 CG HIS A 16 17.088 7.352 -10.424 1.00 0.00 C ATOM 242 ND1 HIS A 16 17.027 8.421 -11.295 1.00 0.00 N ATOM 243 CD2 HIS A 16 16.131 6.485 -10.844 1.00 0.00 C ATOM 244 CE1 HIS A 16 16.077 8.210 -12.189 1.00 0.00 C ATOM 245 NE2 HIS A 16 15.522 7.044 -11.936 1.00 0.00 N ATOM 0 H HIS A 16 18.098 4.865 -9.744 1.00 0.00 H new ATOM 0 HA HIS A 16 19.870 6.995 -10.351 1.00 0.00 H new ATOM 0 HB2 HIS A 16 17.527 6.826 -8.403 1.00 0.00 H new ATOM 0 HB3 HIS A 16 18.282 8.314 -8.940 1.00 0.00 H new ATOM 0 HD2 HIS A 16 15.894 5.530 -10.399 1.00 0.00 H new ATOM 0 HE1 HIS A 16 15.803 8.880 -12.990 1.00 0.00 H new ATOM 0 HE2 HIS A 16 14.760 6.624 -12.468 1.00 0.00 H new ATOM 254 N GLY A 17 20.306 5.579 -7.428 1.00 0.00 N ATOM 255 CA GLY A 17 21.221 5.493 -6.279 1.00 0.00 C ATOM 256 C GLY A 17 20.797 6.393 -5.122 1.00 0.00 C ATOM 257 O GLY A 17 21.505 7.347 -4.782 1.00 0.00 O ATOM 0 H GLY A 17 19.677 4.781 -7.516 1.00 0.00 H new ATOM 0 HA2 GLY A 17 21.268 4.460 -5.933 1.00 0.00 H new ATOM 0 HA3 GLY A 17 22.226 5.768 -6.599 1.00 0.00 H new ATOM 261 N ARG A 18 19.608 6.091 -4.550 1.00 0.00 N ATOM 262 CA ARG A 18 19.014 6.791 -3.382 1.00 0.00 C ATOM 263 C ARG A 18 18.842 8.314 -3.594 1.00 0.00 C ATOM 264 O ARG A 18 18.785 9.089 -2.630 1.00 0.00 O ATOM 265 CB ARG A 18 19.844 6.483 -2.110 1.00 0.00 C ATOM 266 CG ARG A 18 19.059 6.519 -0.790 1.00 0.00 C ATOM 267 CD ARG A 18 19.919 6.097 0.404 1.00 0.00 C ATOM 268 NE ARG A 18 21.106 6.963 0.560 1.00 0.00 N ATOM 269 CZ ARG A 18 22.226 6.638 1.224 1.00 0.00 C ATOM 270 NH1 ARG A 18 22.340 5.478 1.862 1.00 0.00 N ATOM 271 NH2 ARG A 18 23.226 7.494 1.257 1.00 0.00 N ATOM 0 H ARG A 18 19.018 5.334 -4.896 1.00 0.00 H new ATOM 0 HA ARG A 18 18.002 6.405 -3.256 1.00 0.00 H new ATOM 0 HB2 ARG A 18 20.294 5.496 -2.220 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.662 7.201 -2.047 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.677 7.526 -0.623 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.195 5.859 -0.865 1.00 0.00 H new ATOM 0 HD2 ARG A 18 19.320 6.134 1.314 1.00 0.00 H new ATOM 0 HD3 ARG A 18 20.238 5.063 0.274 1.00 0.00 H new ATOM 0 HE ARG A 18 21.071 7.886 0.126 1.00 0.00 H new ATOM 0 HH11 ARG A 18 21.567 4.813 1.854 1.00 0.00 H new ATOM 0 HH12 ARG A 18 23.201 5.252 2.360 1.00 0.00 H new ATOM 0 HH21 ARG A 18 23.144 8.393 0.781 1.00 0.00 H new ATOM 0 HH22 ARG A 18 24.082 7.259 1.758 1.00 0.00 H new ATOM 285 N ASN A 19 18.753 8.733 -4.857 1.00 0.00 N ATOM 286 CA ASN A 19 18.468 10.128 -5.220 1.00 0.00 C ATOM 287 C ASN A 19 16.964 10.385 -5.034 1.00 0.00 C ATOM 288 O ASN A 19 16.184 10.261 -5.981 1.00 0.00 O ATOM 289 CB ASN A 19 18.959 10.420 -6.669 1.00 0.00 C ATOM 290 CG ASN A 19 20.440 10.822 -6.725 1.00 0.00 C ATOM 291 OD1 ASN A 19 20.773 12.004 -6.847 1.00 0.00 O ATOM 292 ND2 ASN A 19 21.336 9.862 -6.555 1.00 0.00 N ATOM 0 H ASN A 19 18.876 8.117 -5.660 1.00 0.00 H new ATOM 0 HA ASN A 19 19.010 10.815 -4.570 1.00 0.00 H new ATOM 0 HB2 ASN A 19 18.804 9.535 -7.286 1.00 0.00 H new ATOM 0 HB3 ASN A 19 18.354 11.218 -7.099 1.00 0.00 H new ATOM 0 HD21 ASN A 19 22.329 10.091 -6.522 1.00 0.00 H new ATOM 0 HD22 ASN A 19 21.033 8.893 -6.457 1.00 0.00 H new ATOM 299 N TRP A 20 16.588 10.711 -3.774 1.00 0.00 N ATOM 300 CA TRP A 20 15.188 10.779 -3.303 1.00 0.00 C ATOM 301 C TRP A 20 14.328 11.730 -4.164 1.00 0.00 C ATOM 302 O TRP A 20 13.135 11.510 -4.307 1.00 0.00 O ATOM 303 CB TRP A 20 15.117 11.243 -1.824 1.00 0.00 C ATOM 304 CG TRP A 20 15.944 10.438 -0.833 1.00 0.00 C ATOM 305 CD1 TRP A 20 17.202 10.736 -0.378 1.00 0.00 C ATOM 306 CD2 TRP A 20 15.556 9.225 -0.158 1.00 0.00 C ATOM 307 NE1 TRP A 20 17.610 9.796 0.532 1.00 0.00 N ATOM 308 CE2 TRP A 20 16.623 8.858 0.681 1.00 0.00 C ATOM 309 CE3 TRP A 20 14.417 8.416 -0.181 1.00 0.00 C ATOM 310 CZ2 TRP A 20 16.579 7.726 1.493 1.00 0.00 C ATOM 311 CZ3 TRP A 20 14.375 7.289 0.621 1.00 0.00 C ATOM 312 CH2 TRP A 20 15.454 6.953 1.447 1.00 0.00 C ATOM 0 H TRP A 20 17.264 10.938 -3.045 1.00 0.00 H new ATOM 0 HA TRP A 20 14.788 9.769 -3.393 1.00 0.00 H new ATOM 0 HB2 TRP A 20 15.438 12.283 -1.774 1.00 0.00 H new ATOM 0 HB3 TRP A 20 14.075 11.215 -1.505 1.00 0.00 H new ATOM 0 HD1 TRP A 20 17.787 11.588 -0.691 1.00 0.00 H new ATOM 0 HE1 TRP A 20 18.506 9.795 1.020 1.00 0.00 H new ATOM 0 HE3 TRP A 20 13.580 8.667 -0.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 17.407 7.469 2.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 13.497 6.660 0.609 1.00 0.00 H new ATOM 0 HH2 TRP A 20 15.396 6.065 2.060 1.00 0.00 H new ATOM 323 N SER A 21 14.958 12.787 -4.709 1.00 0.00 N ATOM 324 CA SER A 21 14.296 13.749 -5.611 1.00 0.00 C ATOM 325 C SER A 21 13.851 13.042 -6.902 1.00 0.00 C ATOM 326 O SER A 21 12.682 13.126 -7.298 1.00 0.00 O ATOM 327 CB SER A 21 15.251 14.928 -5.927 1.00 0.00 C ATOM 328 OG SER A 21 14.672 15.867 -6.823 1.00 0.00 O ATOM 0 H SER A 21 15.941 12.999 -4.537 1.00 0.00 H new ATOM 0 HA SER A 21 13.411 14.150 -5.118 1.00 0.00 H new ATOM 0 HB2 SER A 21 15.520 15.433 -4.999 1.00 0.00 H new ATOM 0 HB3 SER A 21 16.174 14.540 -6.358 1.00 0.00 H new ATOM 0 HG SER A 21 15.308 16.593 -6.992 1.00 0.00 H new ATOM 334 N ALA A 22 14.796 12.306 -7.515 1.00 0.00 N ATOM 335 CA ALA A 22 14.563 11.576 -8.775 1.00 0.00 C ATOM 336 C ALA A 22 13.487 10.491 -8.606 1.00 0.00 C ATOM 337 O ALA A 22 12.711 10.238 -9.524 1.00 0.00 O ATOM 338 CB ALA A 22 15.874 10.958 -9.281 1.00 0.00 C ATOM 0 H ALA A 22 15.743 12.201 -7.151 1.00 0.00 H new ATOM 0 HA ALA A 22 14.200 12.290 -9.514 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.688 10.422 -10.212 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.604 11.748 -9.457 1.00 0.00 H new ATOM 0 HB3 ALA A 22 16.262 10.265 -8.534 1.00 0.00 H new ATOM 344 N ILE A 23 13.447 9.872 -7.413 1.00 0.00 N ATOM 345 CA ILE A 23 12.521 8.761 -7.105 1.00 0.00 C ATOM 346 C ILE A 23 11.121 9.310 -6.808 1.00 0.00 C ATOM 347 O ILE A 23 10.120 8.771 -7.275 1.00 0.00 O ATOM 348 CB ILE A 23 13.026 7.903 -5.886 1.00 0.00 C ATOM 349 CG1 ILE A 23 14.536 7.555 -6.049 1.00 0.00 C ATOM 350 CG2 ILE A 23 12.175 6.615 -5.699 1.00 0.00 C ATOM 351 CD1 ILE A 23 14.905 6.928 -7.370 1.00 0.00 C ATOM 0 H ILE A 23 14.054 10.126 -6.634 1.00 0.00 H new ATOM 0 HA ILE A 23 12.482 8.112 -7.980 1.00 0.00 H new ATOM 0 HB ILE A 23 12.906 8.504 -4.985 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.120 8.467 -5.921 1.00 0.00 H new ATOM 0 HG13 ILE A 23 14.826 6.875 -5.248 1.00 0.00 H new ATOM 0 HG21 ILE A 23 12.554 6.049 -4.848 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.135 6.889 -5.519 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.238 6.003 -6.599 1.00 0.00 H new ATOM 0 HD11 ILE A 23 15.975 6.722 -7.389 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.354 5.996 -7.497 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.653 7.612 -8.180 1.00 0.00 H new ATOM 363 N ALA A 24 11.080 10.414 -6.047 1.00 0.00 N ATOM 364 CA ALA A 24 9.827 11.102 -5.690 1.00 0.00 C ATOM 365 C ALA A 24 9.109 11.613 -6.939 1.00 0.00 C ATOM 366 O ALA A 24 7.900 11.702 -6.953 1.00 0.00 O ATOM 367 CB ALA A 24 10.108 12.262 -4.736 1.00 0.00 C ATOM 0 H ALA A 24 11.914 10.856 -5.661 1.00 0.00 H new ATOM 0 HA ALA A 24 9.178 10.382 -5.190 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.172 12.759 -4.482 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.574 11.881 -3.827 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.779 12.974 -5.217 1.00 0.00 H new ATOM 373 N ARG A 25 9.886 11.965 -7.972 1.00 0.00 N ATOM 374 CA ARG A 25 9.362 12.382 -9.283 1.00 0.00 C ATOM 375 C ARG A 25 9.002 11.157 -10.159 1.00 0.00 C ATOM 376 O ARG A 25 8.000 11.180 -10.880 1.00 0.00 O ATOM 377 CB ARG A 25 10.405 13.274 -10.001 1.00 0.00 C ATOM 378 CG ARG A 25 10.685 14.617 -9.299 1.00 0.00 C ATOM 379 CD ARG A 25 11.800 15.430 -9.986 1.00 0.00 C ATOM 380 NE ARG A 25 11.520 15.687 -11.421 1.00 0.00 N ATOM 381 CZ ARG A 25 10.914 16.781 -11.925 1.00 0.00 C ATOM 382 NH1 ARG A 25 10.359 17.687 -11.128 1.00 0.00 N ATOM 383 NH2 ARG A 25 10.825 16.927 -13.236 1.00 0.00 N ATOM 0 H ARG A 25 10.905 11.969 -7.923 1.00 0.00 H new ATOM 0 HA ARG A 25 8.448 12.954 -9.124 1.00 0.00 H new ATOM 0 HB2 ARG A 25 11.340 12.721 -10.087 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.058 13.473 -11.015 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.770 15.209 -9.279 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.965 14.428 -8.263 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.922 16.381 -9.468 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.744 14.893 -9.895 1.00 0.00 H new ATOM 0 HE ARG A 25 11.813 14.971 -12.086 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.387 17.562 -10.116 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.905 18.508 -11.528 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.213 16.216 -13.856 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.369 17.751 -13.628 1.00 0.00 H new ATOM 397 N MET A 26 9.830 10.093 -10.081 1.00 0.00 N ATOM 398 CA MET A 26 9.684 8.888 -10.932 1.00 0.00 C ATOM 399 C MET A 26 8.446 8.060 -10.527 1.00 0.00 C ATOM 400 O MET A 26 7.518 7.884 -11.326 1.00 0.00 O ATOM 401 CB MET A 26 10.976 8.018 -10.815 1.00 0.00 C ATOM 402 CG MET A 26 10.943 6.656 -11.525 1.00 0.00 C ATOM 403 SD MET A 26 12.439 5.684 -11.224 1.00 0.00 S ATOM 404 CE MET A 26 12.028 4.121 -12.008 1.00 0.00 C ATOM 0 H MET A 26 10.615 10.043 -9.431 1.00 0.00 H new ATOM 0 HA MET A 26 9.544 9.206 -11.965 1.00 0.00 H new ATOM 0 HB2 MET A 26 11.813 8.592 -11.213 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.180 7.848 -9.758 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.073 6.093 -11.186 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.824 6.811 -12.597 1.00 0.00 H new ATOM 0 HE1 MET A 26 12.634 3.326 -11.574 1.00 0.00 H new ATOM 0 HE2 MET A 26 10.972 3.901 -11.849 1.00 0.00 H new ATOM 0 HE3 MET A 26 12.228 4.187 -13.077 1.00 0.00 H new ATOM 414 N VAL A 27 8.457 7.553 -9.286 1.00 0.00 N ATOM 415 CA VAL A 27 7.387 6.692 -8.747 1.00 0.00 C ATOM 416 C VAL A 27 6.270 7.512 -8.059 1.00 0.00 C ATOM 417 O VAL A 27 5.087 7.157 -8.134 1.00 0.00 O ATOM 418 CB VAL A 27 7.985 5.586 -7.789 1.00 0.00 C ATOM 419 CG1 VAL A 27 9.123 4.824 -8.509 1.00 0.00 C ATOM 420 CG2 VAL A 27 8.490 6.154 -6.435 1.00 0.00 C ATOM 0 H VAL A 27 9.211 7.728 -8.622 1.00 0.00 H new ATOM 0 HA VAL A 27 6.918 6.183 -9.589 1.00 0.00 H new ATOM 0 HB VAL A 27 7.170 4.902 -7.551 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.530 4.064 -7.843 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.730 4.347 -9.407 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.912 5.524 -8.785 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.888 5.342 -5.826 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.275 6.888 -6.618 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.663 6.631 -5.909 1.00 0.00 H new ATOM 430 N GLY A 28 6.676 8.598 -7.371 1.00 0.00 N ATOM 431 CA GLY A 28 5.758 9.428 -6.586 1.00 0.00 C ATOM 432 C GLY A 28 5.010 10.479 -7.410 1.00 0.00 C ATOM 433 O GLY A 28 3.847 10.790 -7.105 1.00 0.00 O ATOM 0 H GLY A 28 7.644 8.918 -7.348 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.031 8.782 -6.094 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.321 9.931 -5.800 1.00 0.00 H new ATOM 437 N SER A 29 5.722 11.059 -8.412 1.00 0.00 N ATOM 438 CA SER A 29 5.219 12.149 -9.283 1.00 0.00 C ATOM 439 C SER A 29 4.995 13.468 -8.478 1.00 0.00 C ATOM 440 O SER A 29 4.126 14.281 -8.824 1.00 0.00 O ATOM 441 CB SER A 29 3.942 11.674 -10.041 1.00 0.00 C ATOM 442 OG SER A 29 3.523 12.597 -11.034 1.00 0.00 O ATOM 0 H SER A 29 6.676 10.777 -8.639 1.00 0.00 H new ATOM 0 HA SER A 29 5.975 12.385 -10.031 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.139 10.709 -10.507 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.134 11.524 -9.325 1.00 0.00 H new ATOM 0 HG SER A 29 3.549 13.506 -10.668 1.00 0.00 H new ATOM 448 N LYS A 30 5.822 13.691 -7.419 1.00 0.00 N ATOM 449 CA LYS A 30 5.671 14.844 -6.498 1.00 0.00 C ATOM 450 C LYS A 30 7.024 15.143 -5.771 1.00 0.00 C ATOM 451 O LYS A 30 8.061 14.589 -6.142 1.00 0.00 O ATOM 452 CB LYS A 30 4.505 14.541 -5.500 1.00 0.00 C ATOM 453 CG LYS A 30 3.773 15.783 -4.930 1.00 0.00 C ATOM 454 CD LYS A 30 2.513 15.408 -4.108 1.00 0.00 C ATOM 455 CE LYS A 30 1.726 16.649 -3.644 1.00 0.00 C ATOM 456 NZ LYS A 30 0.492 16.292 -2.897 1.00 0.00 N ATOM 0 H LYS A 30 6.604 13.080 -7.185 1.00 0.00 H new ATOM 0 HA LYS A 30 5.415 15.746 -7.055 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.773 13.910 -6.004 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.904 13.963 -4.667 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.460 16.347 -4.298 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.484 16.439 -5.751 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.864 14.774 -4.712 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.811 14.823 -3.238 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.365 17.265 -3.011 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.460 17.252 -4.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.002 17.160 -2.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.132 15.727 -3.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.745 15.739 -2.053 1.00 0.00 H new ATOM 470 N THR A 31 6.992 16.031 -4.753 1.00 0.00 N ATOM 471 CA THR A 31 8.192 16.530 -4.027 1.00 0.00 C ATOM 472 C THR A 31 8.979 15.405 -3.291 1.00 0.00 C ATOM 473 O THR A 31 8.410 14.362 -2.943 1.00 0.00 O ATOM 474 CB THR A 31 7.747 17.635 -3.000 1.00 0.00 C ATOM 475 OG1 THR A 31 6.891 18.581 -3.659 1.00 0.00 O ATOM 476 CG2 THR A 31 8.925 18.399 -2.348 1.00 0.00 C ATOM 0 H THR A 31 6.121 16.430 -4.404 1.00 0.00 H new ATOM 0 HA THR A 31 8.873 16.944 -4.771 1.00 0.00 H new ATOM 0 HB THR A 31 7.227 17.112 -2.197 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.611 19.269 -3.020 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.536 19.143 -1.653 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.561 17.696 -1.809 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.509 18.896 -3.122 1.00 0.00 H new ATOM 484 N VAL A 32 10.290 15.683 -3.037 1.00 0.00 N ATOM 485 CA VAL A 32 11.274 14.770 -2.369 1.00 0.00 C ATOM 486 C VAL A 32 10.695 14.075 -1.111 1.00 0.00 C ATOM 487 O VAL A 32 10.993 12.899 -0.839 1.00 0.00 O ATOM 488 CB VAL A 32 12.574 15.560 -1.940 1.00 0.00 C ATOM 489 CG1 VAL A 32 13.681 14.621 -1.382 1.00 0.00 C ATOM 490 CG2 VAL A 32 13.120 16.422 -3.099 1.00 0.00 C ATOM 0 H VAL A 32 10.708 16.576 -3.299 1.00 0.00 H new ATOM 0 HA VAL A 32 11.514 14.005 -3.108 1.00 0.00 H new ATOM 0 HB VAL A 32 12.277 16.226 -1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 32 14.553 15.212 -1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.303 14.094 -0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.964 13.898 -2.147 1.00 0.00 H new ATOM 0 HG21 VAL A 32 14.014 16.951 -2.769 1.00 0.00 H new ATOM 0 HG22 VAL A 32 13.370 15.780 -3.944 1.00 0.00 H new ATOM 0 HG23 VAL A 32 12.362 17.144 -3.404 1.00 0.00 H new ATOM 500 N SER A 33 9.855 14.843 -0.381 1.00 0.00 N ATOM 501 CA SER A 33 9.191 14.422 0.867 1.00 0.00 C ATOM 502 C SER A 33 8.506 13.043 0.735 1.00 0.00 C ATOM 503 O SER A 33 8.658 12.191 1.607 1.00 0.00 O ATOM 504 CB SER A 33 8.153 15.491 1.272 1.00 0.00 C ATOM 505 OG SER A 33 7.501 15.176 2.492 1.00 0.00 O ATOM 0 H SER A 33 9.616 15.797 -0.653 1.00 0.00 H new ATOM 0 HA SER A 33 9.956 14.324 1.637 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.648 16.457 1.367 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.410 15.590 0.481 1.00 0.00 H new ATOM 0 HG SER A 33 6.855 15.880 2.709 1.00 0.00 H new ATOM 511 N GLN A 34 7.790 12.828 -0.380 1.00 0.00 N ATOM 512 CA GLN A 34 7.006 11.597 -0.614 1.00 0.00 C ATOM 513 C GLN A 34 7.903 10.338 -0.671 1.00 0.00 C ATOM 514 O GLN A 34 7.522 9.284 -0.155 1.00 0.00 O ATOM 515 CB GLN A 34 6.155 11.743 -1.900 1.00 0.00 C ATOM 516 CG GLN A 34 5.278 10.510 -2.241 1.00 0.00 C ATOM 517 CD GLN A 34 4.286 10.726 -3.393 1.00 0.00 C ATOM 518 OE1 GLN A 34 4.616 11.594 -4.333 1.00 0.00 O flip ATOM 519 NE2 GLN A 34 3.228 10.102 -3.439 1.00 0.00 N flip ATOM 0 H GLN A 34 7.736 13.499 -1.146 1.00 0.00 H new ATOM 0 HA GLN A 34 6.335 11.462 0.234 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.508 12.614 -1.794 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.821 11.941 -2.740 1.00 0.00 H new ATOM 0 HG2 GLN A 34 5.932 9.675 -2.494 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.721 10.220 -1.350 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.996 9.437 -2.701 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.583 10.249 -4.215 1.00 0.00 H new ATOM 528 N CYS A 35 9.105 10.460 -1.266 1.00 0.00 N ATOM 529 CA CYS A 35 10.067 9.334 -1.341 1.00 0.00 C ATOM 530 C CYS A 35 10.671 9.037 0.046 1.00 0.00 C ATOM 531 O CYS A 35 11.049 7.895 0.342 1.00 0.00 O ATOM 532 CB CYS A 35 11.184 9.629 -2.357 1.00 0.00 C ATOM 533 SG CYS A 35 12.298 8.240 -2.636 1.00 0.00 S ATOM 0 H CYS A 35 9.436 11.321 -1.701 1.00 0.00 H new ATOM 0 HA CYS A 35 9.522 8.452 -1.678 1.00 0.00 H new ATOM 0 HB2 CYS A 35 10.732 9.917 -3.306 1.00 0.00 H new ATOM 0 HB3 CYS A 35 11.764 10.483 -2.008 1.00 0.00 H new ATOM 0 HG CYS A 35 12.963 7.991 -1.547 1.00 0.00 H new ATOM 539 N LYS A 36 10.746 10.078 0.891 1.00 0.00 N ATOM 540 CA LYS A 36 11.238 9.960 2.270 1.00 0.00 C ATOM 541 C LYS A 36 10.237 9.214 3.167 1.00 0.00 C ATOM 542 O LYS A 36 10.613 8.288 3.888 1.00 0.00 O ATOM 543 CB LYS A 36 11.544 11.363 2.862 1.00 0.00 C ATOM 544 CG LYS A 36 12.795 12.058 2.283 1.00 0.00 C ATOM 545 CD LYS A 36 14.078 11.218 2.481 1.00 0.00 C ATOM 546 CE LYS A 36 14.320 10.795 3.949 1.00 0.00 C ATOM 547 NZ LYS A 36 14.528 11.961 4.849 1.00 0.00 N ATOM 0 H LYS A 36 10.467 11.025 0.635 1.00 0.00 H new ATOM 0 HA LYS A 36 12.159 9.378 2.240 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.680 12.007 2.696 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.667 11.266 3.941 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.645 12.243 1.219 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.922 13.029 2.761 1.00 0.00 H new ATOM 0 HD2 LYS A 36 14.017 10.325 1.859 1.00 0.00 H new ATOM 0 HD3 LYS A 36 14.936 11.792 2.131 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.468 10.215 4.302 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.192 10.142 3.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.686 11.626 5.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.357 12.502 4.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.687 12.572 4.826 1.00 0.00 H new ATOM 561 N ASN A 37 8.958 9.628 3.115 1.00 0.00 N ATOM 562 CA ASN A 37 7.888 9.034 3.948 1.00 0.00 C ATOM 563 C ASN A 37 7.505 7.622 3.439 1.00 0.00 C ATOM 564 O ASN A 37 6.940 6.819 4.193 1.00 0.00 O ATOM 565 CB ASN A 37 6.642 9.960 4.005 1.00 0.00 C ATOM 566 CG ASN A 37 6.913 11.299 4.705 1.00 0.00 C ATOM 567 OD1 ASN A 37 6.838 11.397 5.926 1.00 0.00 O ATOM 568 ND2 ASN A 37 7.199 12.341 3.946 1.00 0.00 N ATOM 0 H ASN A 37 8.636 10.376 2.502 1.00 0.00 H new ATOM 0 HA ASN A 37 8.275 8.932 4.962 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.294 10.152 2.990 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.836 9.442 4.526 1.00 0.00 H new ATOM 0 HD21 ASN A 37 7.363 13.253 4.373 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.256 12.234 2.933 1.00 0.00 H new ATOM 575 N PHE A 38 7.819 7.354 2.148 1.00 0.00 N ATOM 576 CA PHE A 38 7.725 6.010 1.520 1.00 0.00 C ATOM 577 C PHE A 38 8.597 4.990 2.275 1.00 0.00 C ATOM 578 O PHE A 38 8.206 3.829 2.468 1.00 0.00 O ATOM 579 CB PHE A 38 8.207 6.089 0.040 1.00 0.00 C ATOM 580 CG PHE A 38 8.454 4.737 -0.642 1.00 0.00 C ATOM 581 CD1 PHE A 38 7.399 3.896 -0.970 1.00 0.00 C ATOM 582 CD2 PHE A 38 9.756 4.302 -0.928 1.00 0.00 C ATOM 583 CE1 PHE A 38 7.624 2.671 -1.567 1.00 0.00 C ATOM 584 CE2 PHE A 38 9.980 3.077 -1.524 1.00 0.00 C ATOM 585 CZ PHE A 38 8.913 2.261 -1.841 1.00 0.00 C ATOM 0 H PHE A 38 8.149 8.073 1.504 1.00 0.00 H new ATOM 0 HA PHE A 38 6.685 5.686 1.561 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.464 6.639 -0.538 1.00 0.00 H new ATOM 0 HB3 PHE A 38 9.130 6.668 0.006 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.387 4.205 -0.755 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.595 4.934 -0.679 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.790 2.033 -1.820 1.00 0.00 H new ATOM 0 HE2 PHE A 38 10.988 2.758 -1.742 1.00 0.00 H new ATOM 0 HZ PHE A 38 9.087 1.301 -2.304 1.00 0.00 H new ATOM 595 N TYR A 39 9.801 5.453 2.659 1.00 0.00 N ATOM 596 CA TYR A 39 10.844 4.614 3.262 1.00 0.00 C ATOM 597 C TYR A 39 10.379 4.034 4.610 1.00 0.00 C ATOM 598 O TYR A 39 10.743 2.920 4.983 1.00 0.00 O ATOM 599 CB TYR A 39 12.142 5.442 3.425 1.00 0.00 C ATOM 600 CG TYR A 39 13.388 4.602 3.702 1.00 0.00 C ATOM 601 CD1 TYR A 39 13.938 3.815 2.688 1.00 0.00 C ATOM 602 CD2 TYR A 39 14.006 4.583 4.954 1.00 0.00 C ATOM 603 CE1 TYR A 39 15.063 3.041 2.914 1.00 0.00 C ATOM 604 CE2 TYR A 39 15.130 3.813 5.185 1.00 0.00 C ATOM 605 CZ TYR A 39 15.657 3.040 4.165 1.00 0.00 C ATOM 606 OH TYR A 39 16.784 2.273 4.400 1.00 0.00 O ATOM 0 H TYR A 39 10.076 6.430 2.557 1.00 0.00 H new ATOM 0 HA TYR A 39 11.045 3.770 2.602 1.00 0.00 H new ATOM 0 HB2 TYR A 39 12.304 6.025 2.518 1.00 0.00 H new ATOM 0 HB3 TYR A 39 12.007 6.152 4.241 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.478 3.810 1.711 1.00 0.00 H new ATOM 0 HD2 TYR A 39 13.598 5.181 5.756 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.476 2.440 2.117 1.00 0.00 H new ATOM 0 HE2 TYR A 39 15.596 3.814 6.159 1.00 0.00 H new ATOM 0 HH TYR A 39 17.071 2.390 5.330 1.00 0.00 H new ATOM 616 N PHE A 40 9.550 4.813 5.310 1.00 0.00 N ATOM 617 CA PHE A 40 8.931 4.424 6.590 1.00 0.00 C ATOM 618 C PHE A 40 7.547 3.779 6.327 1.00 0.00 C ATOM 619 O PHE A 40 7.118 3.677 5.168 1.00 0.00 O ATOM 620 CB PHE A 40 8.819 5.677 7.507 1.00 0.00 C ATOM 621 CG PHE A 40 10.170 6.327 7.816 1.00 0.00 C ATOM 622 CD1 PHE A 40 10.765 7.208 6.912 1.00 0.00 C ATOM 623 CD2 PHE A 40 10.854 6.048 9.000 1.00 0.00 C ATOM 624 CE1 PHE A 40 11.996 7.781 7.175 1.00 0.00 C ATOM 625 CE2 PHE A 40 12.088 6.618 9.262 1.00 0.00 C ATOM 626 CZ PHE A 40 12.657 7.487 8.353 1.00 0.00 C ATOM 0 H PHE A 40 9.283 5.748 5.002 1.00 0.00 H new ATOM 0 HA PHE A 40 9.549 3.684 7.099 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.172 6.412 7.028 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.339 5.391 8.443 1.00 0.00 H new ATOM 0 HD1 PHE A 40 10.255 7.447 5.990 1.00 0.00 H new ATOM 0 HD2 PHE A 40 10.414 5.377 9.723 1.00 0.00 H new ATOM 0 HE1 PHE A 40 12.441 8.458 6.460 1.00 0.00 H new ATOM 0 HE2 PHE A 40 12.607 6.382 10.180 1.00 0.00 H new ATOM 0 HZ PHE A 40 13.617 7.936 8.562 1.00 0.00 H new ATOM 770 N LEU A 48 16.251 -2.466 0.937 1.00 0.00 N ATOM 771 CA LEU A 48 16.729 -1.342 0.108 1.00 0.00 C ATOM 772 C LEU A 48 18.169 -0.963 0.495 1.00 0.00 C ATOM 773 O LEU A 48 18.935 -0.484 -0.342 1.00 0.00 O ATOM 774 CB LEU A 48 15.740 -0.134 0.234 1.00 0.00 C ATOM 775 CG LEU A 48 15.895 1.059 -0.783 1.00 0.00 C ATOM 776 CD1 LEU A 48 16.934 2.114 -0.337 1.00 0.00 C ATOM 777 CD2 LEU A 48 16.204 0.532 -2.201 1.00 0.00 C ATOM 0 HA LEU A 48 16.752 -1.642 -0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.726 -0.522 0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 48 15.835 0.272 1.241 1.00 0.00 H new ATOM 0 HG LEU A 48 14.935 1.576 -0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.990 2.907 -1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 48 16.634 2.538 0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 48 17.911 1.642 -0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 48 16.307 1.373 -2.887 1.00 0.00 H new ATOM 0 HD22 LEU A 48 17.133 -0.038 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.390 -0.112 -2.535 1.00 0.00 H new ATOM 789 N ASP A 49 18.520 -1.209 1.769 1.00 0.00 N ATOM 790 CA ASP A 49 19.880 -0.983 2.294 1.00 0.00 C ATOM 791 C ASP A 49 20.910 -1.843 1.532 1.00 0.00 C ATOM 792 O ASP A 49 21.994 -1.357 1.178 1.00 0.00 O ATOM 793 CB ASP A 49 19.913 -1.306 3.807 1.00 0.00 C ATOM 794 CG ASP A 49 21.297 -1.107 4.461 1.00 0.00 C ATOM 795 OD1 ASP A 49 21.612 0.033 4.873 1.00 0.00 O ATOM 796 OD2 ASP A 49 22.057 -2.094 4.592 1.00 0.00 O ATOM 0 H ASP A 49 17.869 -1.571 2.466 1.00 0.00 H new ATOM 0 HA ASP A 49 20.145 0.064 2.148 1.00 0.00 H new ATOM 0 HB2 ASP A 49 19.186 -0.675 4.319 1.00 0.00 H new ATOM 0 HB3 ASP A 49 19.598 -2.339 3.955 1.00 0.00 H new ATOM 801 N GLU A 50 20.546 -3.122 1.265 1.00 0.00 N ATOM 802 CA GLU A 50 21.400 -4.032 0.476 1.00 0.00 C ATOM 803 C GLU A 50 21.459 -3.564 -0.984 1.00 0.00 C ATOM 804 O GLU A 50 22.538 -3.417 -1.530 1.00 0.00 O ATOM 805 CB GLU A 50 20.906 -5.503 0.531 1.00 0.00 C ATOM 806 CG GLU A 50 21.818 -6.487 -0.246 1.00 0.00 C ATOM 807 CD GLU A 50 21.277 -7.922 -0.358 1.00 0.00 C ATOM 808 OE1 GLU A 50 20.155 -8.103 -0.881 1.00 0.00 O ATOM 809 OE2 GLU A 50 21.975 -8.877 0.052 1.00 0.00 O ATOM 0 H GLU A 50 19.672 -3.540 1.584 1.00 0.00 H new ATOM 0 HA GLU A 50 22.396 -4.002 0.919 1.00 0.00 H new ATOM 0 HB2 GLU A 50 20.846 -5.820 1.572 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.897 -5.555 0.123 1.00 0.00 H new ATOM 0 HG2 GLU A 50 21.977 -6.095 -1.251 1.00 0.00 H new ATOM 0 HG3 GLU A 50 22.792 -6.519 0.242 1.00 0.00 H new ATOM 816 N ILE A 51 20.278 -3.310 -1.581 1.00 0.00 N ATOM 817 CA ILE A 51 20.129 -2.871 -2.998 1.00 0.00 C ATOM 818 C ILE A 51 21.046 -1.669 -3.311 1.00 0.00 C ATOM 819 O ILE A 51 21.743 -1.639 -4.333 1.00 0.00 O ATOM 820 CB ILE A 51 18.633 -2.464 -3.287 1.00 0.00 C ATOM 821 CG1 ILE A 51 17.679 -3.676 -3.089 1.00 0.00 C ATOM 822 CG2 ILE A 51 18.446 -1.839 -4.696 1.00 0.00 C ATOM 823 CD1 ILE A 51 16.201 -3.325 -3.123 1.00 0.00 C ATOM 0 H ILE A 51 19.386 -3.402 -1.095 1.00 0.00 H new ATOM 0 HA ILE A 51 20.416 -3.708 -3.635 1.00 0.00 H new ATOM 0 HB ILE A 51 18.372 -1.693 -2.562 1.00 0.00 H new ATOM 0 HG12 ILE A 51 17.883 -4.413 -3.865 1.00 0.00 H new ATOM 0 HG13 ILE A 51 17.906 -4.149 -2.133 1.00 0.00 H new ATOM 0 HG21 ILE A 51 17.398 -1.578 -4.842 1.00 0.00 H new ATOM 0 HG22 ILE A 51 19.059 -0.942 -4.780 1.00 0.00 H new ATOM 0 HG23 ILE A 51 18.750 -2.558 -5.456 1.00 0.00 H new ATOM 0 HD11 ILE A 51 15.609 -4.229 -2.977 1.00 0.00 H new ATOM 0 HD12 ILE A 51 15.978 -2.613 -2.329 1.00 0.00 H new ATOM 0 HD13 ILE A 51 15.954 -2.882 -4.088 1.00 0.00 H new ATOM 835 N LEU A 52 21.049 -0.715 -2.380 1.00 0.00 N ATOM 836 CA LEU A 52 21.796 0.539 -2.496 1.00 0.00 C ATOM 837 C LEU A 52 23.305 0.278 -2.383 1.00 0.00 C ATOM 838 O LEU A 52 24.100 0.816 -3.160 1.00 0.00 O ATOM 839 CB LEU A 52 21.318 1.552 -1.395 1.00 0.00 C ATOM 840 CG LEU A 52 20.968 2.975 -1.899 1.00 0.00 C ATOM 841 CD1 LEU A 52 22.192 3.686 -2.513 1.00 0.00 C ATOM 842 CD2 LEU A 52 19.782 2.912 -2.886 1.00 0.00 C ATOM 0 H LEU A 52 20.524 -0.793 -1.509 1.00 0.00 H new ATOM 0 HA LEU A 52 21.603 0.977 -3.475 1.00 0.00 H new ATOM 0 HB2 LEU A 52 20.441 1.135 -0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 52 22.100 1.636 -0.640 1.00 0.00 H new ATOM 0 HG LEU A 52 20.665 3.575 -1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 52 21.902 4.680 -2.853 1.00 0.00 H new ATOM 0 HD12 LEU A 52 22.977 3.774 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 52 22.563 3.107 -3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 52 19.544 3.917 -3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 52 20.050 2.287 -3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 52 18.913 2.487 -2.384 1.00 0.00 H new ATOM 854 N GLN A 53 23.671 -0.567 -1.404 1.00 0.00 N ATOM 855 CA GLN A 53 25.067 -0.910 -1.109 1.00 0.00 C ATOM 856 C GLN A 53 25.697 -1.707 -2.264 1.00 0.00 C ATOM 857 O GLN A 53 26.860 -1.484 -2.610 1.00 0.00 O ATOM 858 CB GLN A 53 25.161 -1.694 0.232 1.00 0.00 C ATOM 859 CG GLN A 53 26.587 -2.167 0.590 1.00 0.00 C ATOM 860 CD GLN A 53 27.633 -1.039 0.597 1.00 0.00 C ATOM 861 OE1 GLN A 53 27.344 0.104 0.955 1.00 0.00 O ATOM 862 NE2 GLN A 53 28.835 -1.345 0.141 1.00 0.00 N ATOM 0 H GLN A 53 23.000 -1.033 -0.793 1.00 0.00 H new ATOM 0 HA GLN A 53 25.632 0.016 -1.003 1.00 0.00 H new ATOM 0 HB2 GLN A 53 24.787 -1.061 1.037 1.00 0.00 H new ATOM 0 HB3 GLN A 53 24.505 -2.563 0.179 1.00 0.00 H new ATOM 0 HG2 GLN A 53 26.567 -2.637 1.573 1.00 0.00 H new ATOM 0 HG3 GLN A 53 26.896 -2.931 -0.123 1.00 0.00 H new ATOM 0 HE21 GLN A 53 29.043 -2.301 -0.148 1.00 0.00 H new ATOM 0 HE22 GLN A 53 29.555 -0.625 0.078 1.00 0.00 H new ATOM 871 N GLN A 54 24.912 -2.607 -2.870 1.00 0.00 N ATOM 872 CA GLN A 54 25.375 -3.435 -3.991 1.00 0.00 C ATOM 873 C GLN A 54 25.581 -2.556 -5.225 1.00 0.00 C ATOM 874 O GLN A 54 26.619 -2.637 -5.857 1.00 0.00 O ATOM 875 CB GLN A 54 24.405 -4.602 -4.301 1.00 0.00 C ATOM 876 CG GLN A 54 24.168 -5.577 -3.127 1.00 0.00 C ATOM 877 CD GLN A 54 25.442 -6.185 -2.523 1.00 0.00 C ATOM 878 OE1 GLN A 54 26.437 -6.409 -3.215 1.00 0.00 O ATOM 879 NE2 GLN A 54 25.415 -6.456 -1.224 1.00 0.00 N ATOM 0 H GLN A 54 23.944 -2.781 -2.599 1.00 0.00 H new ATOM 0 HA GLN A 54 26.324 -3.888 -3.704 1.00 0.00 H new ATOM 0 HB2 GLN A 54 23.446 -4.186 -4.609 1.00 0.00 H new ATOM 0 HB3 GLN A 54 24.795 -5.165 -5.149 1.00 0.00 H new ATOM 0 HG2 GLN A 54 23.626 -5.051 -2.341 1.00 0.00 H new ATOM 0 HG3 GLN A 54 23.524 -6.387 -3.471 1.00 0.00 H new ATOM 0 HE21 GLN A 54 24.576 -6.259 -0.679 1.00 0.00 H new ATOM 0 HE22 GLN A 54 26.234 -6.862 -0.771 1.00 0.00 H new ATOM 888 N HIS A 55 24.604 -1.668 -5.510 1.00 0.00 N ATOM 889 CA HIS A 55 24.707 -0.687 -6.615 1.00 0.00 C ATOM 890 C HIS A 55 25.929 0.230 -6.416 1.00 0.00 C ATOM 891 O HIS A 55 26.591 0.598 -7.385 1.00 0.00 O ATOM 892 CB HIS A 55 23.418 0.166 -6.737 1.00 0.00 C ATOM 893 CG HIS A 55 23.503 1.259 -7.784 1.00 0.00 C ATOM 894 ND1 HIS A 55 23.669 2.595 -7.469 1.00 0.00 N ATOM 895 CD2 HIS A 55 23.456 1.206 -9.142 1.00 0.00 C ATOM 896 CE1 HIS A 55 23.715 3.309 -8.580 1.00 0.00 C ATOM 897 NE2 HIS A 55 23.583 2.492 -9.605 1.00 0.00 N ATOM 0 H HIS A 55 23.730 -1.610 -4.987 1.00 0.00 H new ATOM 0 HA HIS A 55 24.832 -1.248 -7.541 1.00 0.00 H new ATOM 0 HB2 HIS A 55 22.581 -0.490 -6.977 1.00 0.00 H new ATOM 0 HB3 HIS A 55 23.201 0.619 -5.770 1.00 0.00 H new ATOM 0 HD2 HIS A 55 23.340 0.317 -9.744 1.00 0.00 H new ATOM 0 HE1 HIS A 55 23.840 4.380 -8.638 1.00 0.00 H new ATOM 0 HE2 HIS A 55 23.576 2.771 -10.586 1.00 0.00 H new ATOM 906 N LYS A 56 26.211 0.571 -5.146 1.00 0.00 N ATOM 907 CA LYS A 56 27.356 1.420 -4.779 1.00 0.00 C ATOM 908 C LYS A 56 28.680 0.736 -5.164 1.00 0.00 C ATOM 909 O LYS A 56 29.468 1.305 -5.920 1.00 0.00 O ATOM 910 CB LYS A 56 27.349 1.738 -3.256 1.00 0.00 C ATOM 911 CG LYS A 56 28.575 2.553 -2.769 1.00 0.00 C ATOM 912 CD LYS A 56 28.633 2.719 -1.234 1.00 0.00 C ATOM 913 CE LYS A 56 29.875 3.510 -0.778 1.00 0.00 C ATOM 914 NZ LYS A 56 31.148 2.867 -1.209 1.00 0.00 N ATOM 0 H LYS A 56 25.653 0.266 -4.348 1.00 0.00 H new ATOM 0 HA LYS A 56 27.267 2.357 -5.329 1.00 0.00 H new ATOM 0 HB2 LYS A 56 26.441 2.291 -3.016 1.00 0.00 H new ATOM 0 HB3 LYS A 56 27.307 0.801 -2.701 1.00 0.00 H new ATOM 0 HG2 LYS A 56 29.487 2.061 -3.108 1.00 0.00 H new ATOM 0 HG3 LYS A 56 28.554 3.539 -3.233 1.00 0.00 H new ATOM 0 HD2 LYS A 56 27.733 3.230 -0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 56 28.639 1.735 -0.764 1.00 0.00 H new ATOM 0 HE2 LYS A 56 29.827 4.521 -1.182 1.00 0.00 H new ATOM 0 HE3 LYS A 56 29.866 3.600 0.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 31.896 3.082 -0.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 31.015 1.837 -1.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 31.423 3.233 -2.143 1.00 0.00 H new ATOM 928 N LEU A 57 28.887 -0.503 -4.661 1.00 0.00 N ATOM 929 CA LEU A 57 30.165 -1.225 -4.818 1.00 0.00 C ATOM 930 C LEU A 57 30.380 -1.706 -6.272 1.00 0.00 C ATOM 931 O LEU A 57 31.519 -1.747 -6.739 1.00 0.00 O ATOM 932 CB LEU A 57 30.294 -2.380 -3.762 1.00 0.00 C ATOM 933 CG LEU A 57 29.185 -3.503 -3.728 1.00 0.00 C ATOM 934 CD1 LEU A 57 29.380 -4.587 -4.816 1.00 0.00 C ATOM 935 CD2 LEU A 57 29.079 -4.150 -2.323 1.00 0.00 C ATOM 0 H LEU A 57 28.180 -1.023 -4.141 1.00 0.00 H new ATOM 0 HA LEU A 57 30.975 -0.524 -4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 57 31.255 -2.869 -3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 57 30.331 -1.922 -2.774 1.00 0.00 H new ATOM 0 HG LEU A 57 28.244 -3.000 -3.953 1.00 0.00 H new ATOM 0 HD11 LEU A 57 28.585 -5.328 -4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 57 29.348 -4.123 -5.802 1.00 0.00 H new ATOM 0 HD13 LEU A 57 30.345 -5.074 -4.676 1.00 0.00 H new ATOM 0 HD21 LEU A 57 28.307 -4.919 -2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 57 30.035 -4.600 -2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 57 28.821 -3.386 -1.589 1.00 0.00 H new ATOM 947 N LYS A 58 29.271 -2.044 -6.979 1.00 0.00 N ATOM 948 CA LYS A 58 29.305 -2.448 -8.409 1.00 0.00 C ATOM 949 C LYS A 58 29.766 -1.261 -9.262 1.00 0.00 C ATOM 950 O LYS A 58 30.768 -1.355 -9.973 1.00 0.00 O ATOM 951 CB LYS A 58 27.910 -2.939 -8.901 1.00 0.00 C ATOM 952 CG LYS A 58 27.436 -4.280 -8.296 1.00 0.00 C ATOM 953 CD LYS A 58 25.959 -4.598 -8.642 1.00 0.00 C ATOM 954 CE LYS A 58 25.438 -5.876 -7.959 1.00 0.00 C ATOM 955 NZ LYS A 58 26.155 -7.088 -8.418 1.00 0.00 N ATOM 0 H LYS A 58 28.334 -2.044 -6.577 1.00 0.00 H new ATOM 0 HA LYS A 58 30.005 -3.277 -8.511 1.00 0.00 H new ATOM 0 HB2 LYS A 58 27.170 -2.172 -8.670 1.00 0.00 H new ATOM 0 HB3 LYS A 58 27.939 -3.038 -9.986 1.00 0.00 H new ATOM 0 HG2 LYS A 58 28.073 -5.085 -8.662 1.00 0.00 H new ATOM 0 HG3 LYS A 58 27.553 -4.248 -7.213 1.00 0.00 H new ATOM 0 HD2 LYS A 58 25.334 -3.755 -8.347 1.00 0.00 H new ATOM 0 HD3 LYS A 58 25.860 -4.705 -9.722 1.00 0.00 H new ATOM 0 HE2 LYS A 58 25.547 -5.779 -6.879 1.00 0.00 H new ATOM 0 HE3 LYS A 58 24.373 -5.987 -8.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 25.760 -7.925 -7.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 26.045 -7.188 -9.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 27.165 -7.003 -8.185 1.00 0.00 H new ATOM 969 N MET A 59 29.033 -0.135 -9.123 1.00 0.00 N ATOM 970 CA MET A 59 29.333 1.133 -9.822 1.00 0.00 C ATOM 971 C MET A 59 30.774 1.580 -9.553 1.00 0.00 C ATOM 972 O MET A 59 31.493 1.925 -10.472 1.00 0.00 O ATOM 973 CB MET A 59 28.354 2.241 -9.352 1.00 0.00 C ATOM 974 CG MET A 59 28.639 3.657 -9.887 1.00 0.00 C ATOM 975 SD MET A 59 27.611 4.919 -9.101 1.00 0.00 S ATOM 976 CE MET A 59 28.099 4.766 -7.380 1.00 0.00 C ATOM 0 H MET A 59 28.212 -0.080 -8.520 1.00 0.00 H new ATOM 0 HA MET A 59 29.213 0.966 -10.892 1.00 0.00 H new ATOM 0 HB2 MET A 59 27.344 1.957 -9.649 1.00 0.00 H new ATOM 0 HB3 MET A 59 28.369 2.275 -8.263 1.00 0.00 H new ATOM 0 HG2 MET A 59 29.690 3.898 -9.725 1.00 0.00 H new ATOM 0 HG3 MET A 59 28.470 3.675 -10.964 1.00 0.00 H new ATOM 0 HE1 MET A 59 28.087 5.749 -6.910 1.00 0.00 H new ATOM 0 HE2 MET A 59 27.403 4.107 -6.862 1.00 0.00 H new ATOM 0 HE3 MET A 59 29.104 4.349 -7.323 1.00 0.00 H new ATOM 986 N GLU A 60 31.175 1.515 -8.276 1.00 0.00 N ATOM 987 CA GLU A 60 32.473 2.020 -7.803 1.00 0.00 C ATOM 988 C GLU A 60 33.642 1.286 -8.480 1.00 0.00 C ATOM 989 O GLU A 60 34.559 1.924 -8.996 1.00 0.00 O ATOM 990 CB GLU A 60 32.560 1.858 -6.266 1.00 0.00 C ATOM 991 CG GLU A 60 33.800 2.498 -5.609 1.00 0.00 C ATOM 992 CD GLU A 60 33.885 2.209 -4.101 1.00 0.00 C ATOM 993 OE1 GLU A 60 33.105 2.808 -3.322 1.00 0.00 O ATOM 994 OE2 GLU A 60 34.724 1.375 -3.690 1.00 0.00 O ATOM 0 H GLU A 60 30.604 1.107 -7.536 1.00 0.00 H new ATOM 0 HA GLU A 60 32.548 3.075 -8.066 1.00 0.00 H new ATOM 0 HB2 GLU A 60 31.666 2.293 -5.819 1.00 0.00 H new ATOM 0 HB3 GLU A 60 32.550 0.795 -6.027 1.00 0.00 H new ATOM 0 HG2 GLU A 60 34.700 2.124 -6.098 1.00 0.00 H new ATOM 0 HG3 GLU A 60 33.775 3.576 -5.768 1.00 0.00 H new ATOM 1001 N LYS A 61 33.574 -0.059 -8.507 1.00 0.00 N ATOM 1002 CA LYS A 61 34.675 -0.896 -9.019 1.00 0.00 C ATOM 1003 C LYS A 61 34.759 -0.834 -10.558 1.00 0.00 C ATOM 1004 O LYS A 61 35.856 -0.720 -11.107 1.00 0.00 O ATOM 1005 CB LYS A 61 34.539 -2.364 -8.523 1.00 0.00 C ATOM 1006 CG LYS A 61 33.291 -3.116 -9.034 1.00 0.00 C ATOM 1007 CD LYS A 61 33.163 -4.545 -8.465 1.00 0.00 C ATOM 1008 CE LYS A 61 34.314 -5.477 -8.896 1.00 0.00 C ATOM 1009 NZ LYS A 61 34.171 -6.840 -8.319 1.00 0.00 N ATOM 0 H LYS A 61 32.767 -0.589 -8.180 1.00 0.00 H new ATOM 0 HA LYS A 61 35.607 -0.494 -8.622 1.00 0.00 H new ATOM 0 HB2 LYS A 61 35.427 -2.918 -8.827 1.00 0.00 H new ATOM 0 HB3 LYS A 61 34.522 -2.363 -7.433 1.00 0.00 H new ATOM 0 HG2 LYS A 61 32.399 -2.547 -8.771 1.00 0.00 H new ATOM 0 HG3 LYS A 61 33.327 -3.168 -10.122 1.00 0.00 H new ATOM 0 HD2 LYS A 61 33.134 -4.494 -7.377 1.00 0.00 H new ATOM 0 HD3 LYS A 61 32.215 -4.975 -8.790 1.00 0.00 H new ATOM 0 HE2 LYS A 61 34.338 -5.544 -9.984 1.00 0.00 H new ATOM 0 HE3 LYS A 61 35.265 -5.048 -8.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 34.964 -7.435 -8.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 34.173 -6.779 -7.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 33.275 -7.260 -8.639 1.00 0.00 H new ATOM 1023 N GLU A 62 33.594 -0.869 -11.246 1.00 0.00 N ATOM 1024 CA GLU A 62 33.549 -0.871 -12.727 1.00 0.00 C ATOM 1025 C GLU A 62 33.922 0.506 -13.286 1.00 0.00 C ATOM 1026 O GLU A 62 34.540 0.607 -14.353 1.00 0.00 O ATOM 1027 CB GLU A 62 32.163 -1.340 -13.254 1.00 0.00 C ATOM 1028 CG GLU A 62 30.973 -0.418 -12.926 1.00 0.00 C ATOM 1029 CD GLU A 62 29.615 -1.010 -13.352 1.00 0.00 C ATOM 1030 OE1 GLU A 62 29.062 -1.863 -12.616 1.00 0.00 O ATOM 1031 OE2 GLU A 62 29.099 -0.642 -14.428 1.00 0.00 O ATOM 0 H GLU A 62 32.676 -0.896 -10.801 1.00 0.00 H new ATOM 0 HA GLU A 62 34.289 -1.588 -13.082 1.00 0.00 H new ATOM 0 HB2 GLU A 62 32.225 -1.450 -14.337 1.00 0.00 H new ATOM 0 HB3 GLU A 62 31.956 -2.329 -12.845 1.00 0.00 H new ATOM 0 HG2 GLU A 62 30.957 -0.222 -11.854 1.00 0.00 H new ATOM 0 HG3 GLU A 62 31.116 0.541 -13.423 1.00 0.00 H new ATOM 1038 N ARG A 63 33.569 1.563 -12.527 1.00 0.00 N ATOM 1039 CA ARG A 63 33.899 2.945 -12.878 1.00 0.00 C ATOM 1040 C ARG A 63 35.396 3.186 -12.665 1.00 0.00 C ATOM 1041 O ARG A 63 36.040 3.818 -13.485 1.00 0.00 O ATOM 1042 CB ARG A 63 33.051 3.947 -12.055 1.00 0.00 C ATOM 1043 CG ARG A 63 33.240 5.431 -12.434 1.00 0.00 C ATOM 1044 CD ARG A 63 32.370 6.378 -11.586 1.00 0.00 C ATOM 1045 NE ARG A 63 32.740 6.338 -10.156 1.00 0.00 N ATOM 1046 CZ ARG A 63 32.598 7.344 -9.282 1.00 0.00 C ATOM 1047 NH1 ARG A 63 32.043 8.499 -9.647 1.00 0.00 N ATOM 1048 NH2 ARG A 63 33.018 7.187 -8.038 1.00 0.00 N ATOM 0 H ARG A 63 33.047 1.475 -11.655 1.00 0.00 H new ATOM 0 HA ARG A 63 33.662 3.107 -13.930 1.00 0.00 H new ATOM 0 HB2 ARG A 63 31.998 3.690 -12.172 1.00 0.00 H new ATOM 0 HB3 ARG A 63 33.294 3.824 -11.000 1.00 0.00 H new ATOM 0 HG2 ARG A 63 34.289 5.702 -12.312 1.00 0.00 H new ATOM 0 HG3 ARG A 63 32.996 5.566 -13.488 1.00 0.00 H new ATOM 0 HD2 ARG A 63 32.474 7.397 -11.959 1.00 0.00 H new ATOM 0 HD3 ARG A 63 31.321 6.103 -11.697 1.00 0.00 H new ATOM 0 HE ARG A 63 33.139 5.468 -9.803 1.00 0.00 H new ATOM 0 HH11 ARG A 63 31.718 8.628 -10.605 1.00 0.00 H new ATOM 0 HH12 ARG A 63 31.943 9.254 -8.968 1.00 0.00 H new ATOM 0 HH21 ARG A 63 33.445 6.306 -7.751 1.00 0.00 H new ATOM 0 HH22 ARG A 63 32.915 7.947 -7.365 1.00 0.00 H new ATOM 1062 N ASN A 64 35.946 2.621 -11.584 1.00 0.00 N ATOM 1063 CA ASN A 64 37.376 2.771 -11.237 1.00 0.00 C ATOM 1064 C ASN A 64 38.263 1.986 -12.232 1.00 0.00 C ATOM 1065 O ASN A 64 39.408 2.367 -12.496 1.00 0.00 O ATOM 1066 CB ASN A 64 37.623 2.294 -9.772 1.00 0.00 C ATOM 1067 CG ASN A 64 38.820 2.962 -9.089 1.00 0.00 C ATOM 1068 OD1 ASN A 64 39.785 3.375 -9.735 1.00 0.00 O ATOM 1069 ND2 ASN A 64 38.761 3.080 -7.765 1.00 0.00 N ATOM 0 H ASN A 64 35.421 2.048 -10.924 1.00 0.00 H new ATOM 0 HA ASN A 64 37.647 3.824 -11.307 1.00 0.00 H new ATOM 0 HB2 ASN A 64 36.727 2.488 -9.182 1.00 0.00 H new ATOM 0 HB3 ASN A 64 37.775 1.215 -9.774 1.00 0.00 H new ATOM 0 HD21 ASN A 64 39.528 3.522 -7.258 1.00 0.00 H new ATOM 0 HD22 ASN A 64 37.949 2.729 -7.257 1.00 0.00 H new