USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 377 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00633 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00987) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.0844 X(o=-0.084,f=-0.0064) USER MOD Single : A 18 GLN : amide:sc= -0.0124 X(o=-0.012,f=0.11) USER MOD Single : A 25 GLN : amide:sc=-0.00805 X(o=-0.008,f=-0.17) USER MOD Single : A 28 GLN : amide:sc= -0.144 K(o=-0.14,f=-1.6!) USER MOD Single : A 29 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.0022) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 44:sc= 1.16 USER MOD Single : A 37 HIS : no HD1:sc= -3.09! X(o=-3.1!,f=-3.3) USER MOD Single : A 40 ASN : amide:sc= -0.608 K(o=-0.61,f=-5.5!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc=-0.00219 K(o=-0.0022,f=-0.92) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 46 CYS SG : rot -120:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -8.36! C(o=-8.4!,f=-10!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.808 -1.133 -25.176 1.00 0.00 N ATOM 2 CA GLY A 1 2.345 0.081 -24.589 1.00 0.00 C ATOM 3 C GLY A 1 1.224 1.055 -24.218 1.00 0.00 C ATOM 4 O GLY A 1 0.827 1.889 -25.031 1.00 0.00 O ATOM 0 H1 GLY A 1 2.589 -1.776 -25.418 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.175 -1.598 -24.494 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.275 -0.896 -26.037 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.925 -0.167 -23.700 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.028 0.558 -25.292 1.00 0.00 H new ATOM 8 N SER A 2 0.743 0.915 -22.992 1.00 0.00 N ATOM 9 CA SER A 2 -0.325 1.771 -22.505 1.00 0.00 C ATOM 10 C SER A 2 -0.205 1.946 -20.990 1.00 0.00 C ATOM 11 O SER A 2 0.527 1.208 -20.331 1.00 0.00 O ATOM 12 CB SER A 2 -1.697 1.200 -22.866 1.00 0.00 C ATOM 13 OG SER A 2 -1.854 1.038 -24.273 1.00 0.00 O ATOM 0 H SER A 2 1.073 0.221 -22.321 1.00 0.00 H new ATOM 0 HA SER A 2 -0.229 2.744 -22.986 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.830 0.237 -22.373 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.476 1.862 -22.488 1.00 0.00 H new ATOM 0 HG SER A 2 -2.742 0.670 -24.463 1.00 0.00 H new ATOM 18 N SER A 3 -0.935 2.928 -20.480 1.00 0.00 N ATOM 19 CA SER A 3 -0.920 3.209 -19.054 1.00 0.00 C ATOM 20 C SER A 3 0.457 3.732 -18.638 1.00 0.00 C ATOM 21 O SER A 3 0.608 4.911 -18.323 1.00 0.00 O ATOM 22 CB SER A 3 -1.282 1.963 -18.243 1.00 0.00 C ATOM 23 OG SER A 3 -1.392 2.247 -16.851 1.00 0.00 O ATOM 0 H SER A 3 -1.540 3.539 -21.029 1.00 0.00 H new ATOM 0 HA SER A 3 -1.669 3.973 -18.848 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.226 1.556 -18.606 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.523 1.196 -18.398 1.00 0.00 H new ATOM 0 HG SER A 3 -1.626 1.427 -16.367 1.00 0.00 H new ATOM 28 N GLY A 4 1.426 2.828 -18.652 1.00 0.00 N ATOM 29 CA GLY A 4 2.785 3.184 -18.281 1.00 0.00 C ATOM 30 C GLY A 4 3.752 2.036 -18.579 1.00 0.00 C ATOM 31 O GLY A 4 3.383 0.866 -18.483 1.00 0.00 O ATOM 0 H GLY A 4 1.297 1.851 -18.914 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.093 4.075 -18.827 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.824 3.431 -17.220 1.00 0.00 H new ATOM 35 N SER A 5 4.972 2.410 -18.935 1.00 0.00 N ATOM 36 CA SER A 5 5.996 1.427 -19.248 1.00 0.00 C ATOM 37 C SER A 5 7.290 1.766 -18.507 1.00 0.00 C ATOM 38 O SER A 5 7.691 2.927 -18.446 1.00 0.00 O ATOM 39 CB SER A 5 6.250 1.357 -20.755 1.00 0.00 C ATOM 40 OG SER A 5 6.882 2.537 -21.245 1.00 0.00 O ATOM 0 H SER A 5 5.275 3.381 -19.014 1.00 0.00 H new ATOM 0 HA SER A 5 5.643 0.449 -18.921 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.875 0.492 -20.978 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.304 1.209 -21.276 1.00 0.00 H new ATOM 0 HG SER A 5 7.029 2.453 -22.210 1.00 0.00 H new ATOM 45 N SER A 6 7.909 0.730 -17.960 1.00 0.00 N ATOM 46 CA SER A 6 9.150 0.902 -17.225 1.00 0.00 C ATOM 47 C SER A 6 8.902 1.736 -15.966 1.00 0.00 C ATOM 48 O SER A 6 8.294 2.803 -16.034 1.00 0.00 O ATOM 49 CB SER A 6 10.220 1.563 -18.097 1.00 0.00 C ATOM 50 OG SER A 6 11.522 1.052 -17.825 1.00 0.00 O ATOM 0 H SER A 6 7.574 -0.232 -18.011 1.00 0.00 H new ATOM 0 HA SER A 6 9.514 -0.083 -16.934 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.980 1.403 -19.148 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.211 2.640 -17.928 1.00 0.00 H new ATOM 0 HG SER A 6 12.176 1.498 -18.403 1.00 0.00 H new ATOM 55 N GLY A 7 9.384 1.217 -14.847 1.00 0.00 N ATOM 56 CA GLY A 7 9.222 1.900 -13.574 1.00 0.00 C ATOM 57 C GLY A 7 8.522 1.001 -12.554 1.00 0.00 C ATOM 58 O GLY A 7 8.590 -0.224 -12.651 1.00 0.00 O ATOM 0 H GLY A 7 9.887 0.331 -14.795 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.198 2.199 -13.191 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.643 2.812 -13.718 1.00 0.00 H new ATOM 62 N LYS A 8 7.865 1.642 -11.599 1.00 0.00 N ATOM 63 CA LYS A 8 7.152 0.916 -10.562 1.00 0.00 C ATOM 64 C LYS A 8 8.157 0.134 -9.712 1.00 0.00 C ATOM 65 O LYS A 8 9.111 -0.436 -10.240 1.00 0.00 O ATOM 66 CB LYS A 8 6.056 0.043 -11.176 1.00 0.00 C ATOM 67 CG LYS A 8 4.772 0.112 -10.347 1.00 0.00 C ATOM 68 CD LYS A 8 4.296 -1.288 -9.955 1.00 0.00 C ATOM 69 CE LYS A 8 3.137 -1.742 -10.846 1.00 0.00 C ATOM 70 NZ LYS A 8 3.511 -2.957 -11.603 1.00 0.00 N ATOM 0 H LYS A 8 7.811 2.658 -11.522 1.00 0.00 H new ATOM 0 HA LYS A 8 6.639 1.609 -9.895 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.853 0.371 -12.195 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.399 -0.990 -11.236 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.946 0.705 -9.449 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.993 0.618 -10.918 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.122 -1.994 -10.039 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.980 -1.290 -8.912 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.258 -1.944 -10.234 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.868 -0.944 -11.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.714 -3.252 -12.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.337 -2.753 -12.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.746 -3.722 -10.938 1.00 0.00 H new ATOM 79 N VAL A 9 7.907 0.132 -8.411 1.00 0.00 N ATOM 80 CA VAL A 9 8.778 -0.570 -7.483 1.00 0.00 C ATOM 81 C VAL A 9 8.322 -2.027 -7.367 1.00 0.00 C ATOM 82 O VAL A 9 7.339 -2.425 -7.989 1.00 0.00 O ATOM 83 CB VAL A 9 8.804 0.157 -6.138 1.00 0.00 C ATOM 84 CG1 VAL A 9 9.519 1.505 -6.256 1.00 0.00 C ATOM 85 CG2 VAL A 9 7.389 0.335 -5.583 1.00 0.00 C ATOM 0 H VAL A 9 7.114 0.605 -7.977 1.00 0.00 H new ATOM 0 HA VAL A 9 9.804 -0.578 -7.852 1.00 0.00 H new ATOM 0 HB VAL A 9 9.365 -0.460 -5.436 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.523 2.001 -5.285 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.545 1.345 -6.586 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.998 2.131 -6.981 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.436 0.855 -4.626 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.794 0.920 -6.284 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.928 -0.642 -5.443 1.00 0.00 H new ATOM 95 N LYS A 10 9.060 -2.781 -6.565 1.00 0.00 N ATOM 96 CA LYS A 10 8.744 -4.184 -6.359 1.00 0.00 C ATOM 97 C LYS A 10 8.467 -4.427 -4.875 1.00 0.00 C ATOM 98 O LYS A 10 9.393 -4.499 -4.070 1.00 0.00 O ATOM 99 CB LYS A 10 9.851 -5.072 -6.931 1.00 0.00 C ATOM 100 CG LYS A 10 9.279 -6.107 -7.901 1.00 0.00 C ATOM 101 CD LYS A 10 10.265 -6.400 -9.034 1.00 0.00 C ATOM 102 CE LYS A 10 11.337 -7.395 -8.584 1.00 0.00 C ATOM 103 NZ LYS A 10 10.807 -8.777 -8.611 1.00 0.00 N ATOM 0 H LYS A 10 9.875 -2.447 -6.051 1.00 0.00 H new ATOM 0 HA LYS A 10 7.838 -4.454 -6.901 1.00 0.00 H new ATOM 0 HB2 LYS A 10 10.588 -4.455 -7.445 1.00 0.00 H new ATOM 0 HB3 LYS A 10 10.371 -5.579 -6.118 1.00 0.00 H new ATOM 0 HG2 LYS A 10 9.053 -7.028 -7.364 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.340 -5.741 -8.317 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.728 -6.802 -9.893 1.00 0.00 H new ATOM 0 HD3 LYS A 10 10.737 -5.473 -9.359 1.00 0.00 H new ATOM 0 HE2 LYS A 10 12.207 -7.320 -9.236 1.00 0.00 H new ATOM 0 HE3 LYS A 10 11.671 -7.147 -7.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 11.294 -9.350 -7.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.787 -8.762 -8.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 10.967 -9.192 -9.551 1.00 0.00 H new ATOM 112 N TRP A 11 7.185 -4.547 -4.557 1.00 0.00 N ATOM 113 CA TRP A 11 6.773 -4.781 -3.184 1.00 0.00 C ATOM 114 C TRP A 11 6.880 -6.282 -2.906 1.00 0.00 C ATOM 115 O TRP A 11 6.863 -7.091 -3.834 1.00 0.00 O ATOM 116 CB TRP A 11 5.371 -4.225 -2.929 1.00 0.00 C ATOM 117 CG TRP A 11 5.338 -2.718 -2.664 1.00 0.00 C ATOM 118 CD1 TRP A 11 5.810 -1.733 -3.441 1.00 0.00 C ATOM 119 CD2 TRP A 11 4.783 -2.061 -1.505 1.00 0.00 C ATOM 120 NE1 TRP A 11 5.599 -0.495 -2.869 1.00 0.00 N ATOM 121 CE2 TRP A 11 4.956 -0.701 -1.655 1.00 0.00 C ATOM 122 CE3 TRP A 11 4.155 -2.599 -0.368 1.00 0.00 C ATOM 123 CZ2 TRP A 11 4.528 0.236 -0.706 1.00 0.00 C ATOM 124 CZ3 TRP A 11 3.734 -1.650 0.571 1.00 0.00 C ATOM 125 CH2 TRP A 11 3.901 -0.277 0.435 1.00 0.00 C ATOM 0 H TRP A 11 6.419 -4.486 -5.228 1.00 0.00 H new ATOM 0 HA TRP A 11 7.427 -4.251 -2.491 1.00 0.00 H new ATOM 0 HB2 TRP A 11 4.741 -4.446 -3.791 1.00 0.00 H new ATOM 0 HB3 TRP A 11 4.935 -4.743 -2.075 1.00 0.00 H new ATOM 0 HD1 TRP A 11 6.294 -1.889 -4.394 1.00 0.00 H new ATOM 0 HE1 TRP A 11 5.866 0.406 -3.265 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.009 -3.660 -0.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.674 1.297 -0.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.245 -2.010 1.464 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.548 0.391 1.207 1.00 0.00 H new ATOM 135 N THR A 12 6.987 -6.610 -1.628 1.00 0.00 N ATOM 136 CA THR A 12 7.095 -7.999 -1.217 1.00 0.00 C ATOM 137 C THR A 12 6.002 -8.343 -0.204 1.00 0.00 C ATOM 138 O THR A 12 5.393 -7.452 0.386 1.00 0.00 O ATOM 139 CB THR A 12 8.511 -8.225 -0.683 1.00 0.00 C ATOM 140 OG1 THR A 12 8.493 -7.630 0.612 1.00 0.00 O ATOM 141 CG2 THR A 12 9.562 -7.418 -1.449 1.00 0.00 C ATOM 0 H THR A 12 7.001 -5.937 -0.862 1.00 0.00 H new ATOM 0 HA THR A 12 6.937 -8.673 -2.059 1.00 0.00 H new ATOM 0 HB THR A 12 8.755 -9.286 -0.740 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.373 -7.733 1.031 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.549 -7.615 -1.030 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.549 -7.709 -2.499 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.337 -6.355 -1.364 1.00 0.00 H new ATOM 149 N HIS A 13 5.785 -9.640 -0.033 1.00 0.00 N ATOM 150 CA HIS A 13 4.775 -10.113 0.898 1.00 0.00 C ATOM 151 C HIS A 13 4.831 -9.281 2.181 1.00 0.00 C ATOM 152 O HIS A 13 3.811 -8.765 2.636 1.00 0.00 O ATOM 153 CB HIS A 13 4.934 -11.612 1.156 1.00 0.00 C ATOM 154 CG HIS A 13 4.234 -12.487 0.143 1.00 0.00 C ATOM 155 ND1 HIS A 13 4.037 -13.843 0.334 1.00 0.00 N ATOM 156 CD2 HIS A 13 3.688 -12.185 -1.070 1.00 0.00 C ATOM 157 CE1 HIS A 13 3.400 -14.326 -0.724 1.00 0.00 C ATOM 158 NE2 HIS A 13 3.185 -13.296 -1.593 1.00 0.00 N ATOM 0 H HIS A 13 6.292 -10.377 -0.524 1.00 0.00 H new ATOM 0 HA HIS A 13 3.784 -9.982 0.464 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.996 -11.859 1.162 1.00 0.00 H new ATOM 0 HB3 HIS A 13 4.548 -11.842 2.149 1.00 0.00 H new ATOM 0 HD2 HIS A 13 3.668 -11.207 -1.527 1.00 0.00 H new ATOM 0 HE1 HIS A 13 3.103 -15.354 -0.872 1.00 0.00 H new ATOM 0 HE2 HIS A 13 2.715 -13.368 -2.496 1.00 0.00 H new ATOM 165 N GLU A 14 6.033 -9.178 2.729 1.00 0.00 N ATOM 166 CA GLU A 14 6.235 -8.418 3.952 1.00 0.00 C ATOM 167 C GLU A 14 5.586 -7.038 3.831 1.00 0.00 C ATOM 168 O GLU A 14 4.671 -6.710 4.586 1.00 0.00 O ATOM 169 CB GLU A 14 7.724 -8.298 4.282 1.00 0.00 C ATOM 170 CG GLU A 14 8.063 -9.056 5.567 1.00 0.00 C ATOM 171 CD GLU A 14 9.194 -8.361 6.330 1.00 0.00 C ATOM 172 OE1 GLU A 14 9.061 -7.185 6.699 1.00 0.00 O ATOM 173 OE2 GLU A 14 10.237 -9.090 6.539 1.00 0.00 O ATOM 0 H GLU A 14 6.877 -9.608 2.349 1.00 0.00 H new ATOM 0 HA GLU A 14 5.757 -8.952 4.773 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.316 -8.692 3.456 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.992 -7.247 4.394 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.178 -9.120 6.200 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.357 -10.077 5.325 1.00 0.00 H new ATOM 179 N GLU A 15 6.086 -6.265 2.878 1.00 0.00 N ATOM 180 CA GLU A 15 5.566 -4.927 2.649 1.00 0.00 C ATOM 181 C GLU A 15 4.045 -4.969 2.488 1.00 0.00 C ATOM 182 O GLU A 15 3.322 -4.279 3.205 1.00 0.00 O ATOM 183 CB GLU A 15 6.230 -4.281 1.432 1.00 0.00 C ATOM 184 CG GLU A 15 7.723 -4.056 1.676 1.00 0.00 C ATOM 185 CD GLU A 15 8.461 -3.801 0.360 1.00 0.00 C ATOM 186 OE1 GLU A 15 7.865 -3.283 -0.595 1.00 0.00 O ATOM 187 OE2 GLU A 15 9.701 -4.160 0.352 1.00 0.00 O ATOM 0 H GLU A 15 6.846 -6.540 2.255 1.00 0.00 H new ATOM 0 HA GLU A 15 5.802 -4.313 3.518 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.093 -4.918 0.558 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.746 -3.329 1.212 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.862 -3.207 2.345 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.149 -4.927 2.173 1.00 0.00 H new ATOM 193 N ASP A 16 3.605 -5.784 1.541 1.00 0.00 N ATOM 194 CA ASP A 16 2.183 -5.925 1.276 1.00 0.00 C ATOM 195 C ASP A 16 1.448 -6.192 2.591 1.00 0.00 C ATOM 196 O ASP A 16 0.512 -5.476 2.939 1.00 0.00 O ATOM 197 CB ASP A 16 1.913 -7.100 0.334 1.00 0.00 C ATOM 198 CG ASP A 16 1.808 -6.730 -1.147 1.00 0.00 C ATOM 199 OD1 ASP A 16 1.096 -5.786 -1.522 1.00 0.00 O ATOM 200 OD2 ASP A 16 2.506 -7.468 -1.942 1.00 0.00 O ATOM 0 H ASP A 16 4.208 -6.354 0.947 1.00 0.00 H new ATOM 0 HA ASP A 16 1.832 -5.003 0.811 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.710 -7.833 0.454 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.986 -7.585 0.639 1.00 0.00 H new ATOM 205 N GLU A 17 1.900 -7.227 3.284 1.00 0.00 N ATOM 206 CA GLU A 17 1.296 -7.599 4.553 1.00 0.00 C ATOM 207 C GLU A 17 1.291 -6.403 5.509 1.00 0.00 C ATOM 208 O GLU A 17 0.290 -6.142 6.173 1.00 0.00 O ATOM 209 CB GLU A 17 2.020 -8.794 5.175 1.00 0.00 C ATOM 210 CG GLU A 17 1.693 -10.086 4.423 1.00 0.00 C ATOM 211 CD GLU A 17 0.663 -10.920 5.188 1.00 0.00 C ATOM 212 OE1 GLU A 17 0.978 -11.465 6.257 1.00 0.00 O ATOM 213 OE2 GLU A 17 -0.500 -10.992 4.635 1.00 0.00 O ATOM 0 H GLU A 17 2.677 -7.820 2.991 1.00 0.00 H new ATOM 0 HA GLU A 17 0.264 -7.897 4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.096 -8.621 5.157 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.731 -8.895 6.221 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.308 -9.847 3.432 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.603 -10.668 4.280 1.00 0.00 H new ATOM 219 N GLN A 18 2.419 -5.711 5.545 1.00 0.00 N ATOM 220 CA GLN A 18 2.557 -4.551 6.408 1.00 0.00 C ATOM 221 C GLN A 18 1.426 -3.554 6.141 1.00 0.00 C ATOM 222 O GLN A 18 0.689 -3.188 7.056 1.00 0.00 O ATOM 223 CB GLN A 18 3.925 -3.889 6.225 1.00 0.00 C ATOM 224 CG GLN A 18 4.893 -4.317 7.330 1.00 0.00 C ATOM 225 CD GLN A 18 6.096 -5.061 6.747 1.00 0.00 C ATOM 226 OE1 GLN A 18 6.234 -6.267 6.876 1.00 0.00 O ATOM 227 NE2 GLN A 18 6.955 -4.280 6.100 1.00 0.00 N ATOM 0 H GLN A 18 3.246 -5.931 4.990 1.00 0.00 H new ATOM 0 HA GLN A 18 2.487 -4.883 7.444 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.336 -4.158 5.252 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.813 -2.805 6.235 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.235 -3.440 7.879 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.375 -4.958 8.044 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.779 -3.278 6.029 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.790 -4.683 5.674 1.00 0.00 H new ATOM 234 N LEU A 19 1.326 -3.144 4.887 1.00 0.00 N ATOM 235 CA LEU A 19 0.298 -2.197 4.488 1.00 0.00 C ATOM 236 C LEU A 19 -1.078 -2.772 4.830 1.00 0.00 C ATOM 237 O LEU A 19 -1.929 -2.072 5.378 1.00 0.00 O ATOM 238 CB LEU A 19 0.459 -1.822 3.014 1.00 0.00 C ATOM 239 CG LEU A 19 -0.425 -0.676 2.514 1.00 0.00 C ATOM 240 CD1 LEU A 19 -0.318 0.540 3.436 1.00 0.00 C ATOM 241 CD2 LEU A 19 -0.098 -0.325 1.061 1.00 0.00 C ATOM 0 H LEU A 19 1.940 -3.450 4.132 1.00 0.00 H new ATOM 0 HA LEU A 19 0.402 -1.265 5.043 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.501 -1.554 2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.251 -2.705 2.410 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.463 -1.009 2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.955 1.340 3.059 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.638 0.264 4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.716 0.884 3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.740 0.492 0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.946 -0.019 0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.266 -1.197 0.429 1.00 0.00 H new ATOM 252 N ARG A 20 -1.255 -4.042 4.494 1.00 0.00 N ATOM 253 CA ARG A 20 -2.513 -4.718 4.758 1.00 0.00 C ATOM 254 C ARG A 20 -2.945 -4.486 6.208 1.00 0.00 C ATOM 255 O ARG A 20 -4.079 -4.083 6.464 1.00 0.00 O ATOM 256 CB ARG A 20 -2.395 -6.222 4.503 1.00 0.00 C ATOM 257 CG ARG A 20 -2.778 -6.564 3.062 1.00 0.00 C ATOM 258 CD ARG A 20 -3.560 -7.879 3.001 1.00 0.00 C ATOM 259 NE ARG A 20 -4.956 -7.617 2.586 1.00 0.00 N ATOM 260 CZ ARG A 20 -5.808 -8.571 2.152 1.00 0.00 C ATOM 261 NH1 ARG A 20 -5.411 -9.859 2.070 1.00 0.00 N ATOM 262 NH2 ARG A 20 -7.034 -8.226 1.806 1.00 0.00 N ATOM 0 H ARG A 20 -0.547 -4.620 4.041 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.260 -4.304 4.081 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.374 -6.549 4.699 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.041 -6.764 5.194 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.380 -5.759 2.641 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.878 -6.643 2.451 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.085 -8.562 2.297 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.547 -8.366 3.976 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.296 -6.656 2.630 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.461 -10.118 2.337 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.061 -10.573 1.741 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.326 -7.251 1.868 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.689 -8.935 1.476 1.00 0.00 H new ATOM 272 N ALA A 21 -2.019 -4.752 7.117 1.00 0.00 N ATOM 273 CA ALA A 21 -2.290 -4.577 8.534 1.00 0.00 C ATOM 274 C ALA A 21 -2.402 -3.084 8.847 1.00 0.00 C ATOM 275 O ALA A 21 -3.393 -2.641 9.427 1.00 0.00 O ATOM 276 CB ALA A 21 -1.195 -5.264 9.352 1.00 0.00 C ATOM 0 H ALA A 21 -1.080 -5.087 6.900 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.238 -5.042 8.804 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.398 -5.133 10.415 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.177 -6.328 9.115 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.229 -4.822 9.110 1.00 0.00 H new ATOM 282 N LEU A 22 -1.374 -2.350 8.451 1.00 0.00 N ATOM 283 CA LEU A 22 -1.345 -0.915 8.683 1.00 0.00 C ATOM 284 C LEU A 22 -2.715 -0.321 8.348 1.00 0.00 C ATOM 285 O LEU A 22 -3.146 0.645 8.976 1.00 0.00 O ATOM 286 CB LEU A 22 -0.190 -0.271 7.912 1.00 0.00 C ATOM 287 CG LEU A 22 1.209 -0.492 8.490 1.00 0.00 C ATOM 288 CD1 LEU A 22 2.277 0.145 7.600 1.00 0.00 C ATOM 289 CD2 LEU A 22 1.290 0.009 9.933 1.00 0.00 C ATOM 0 H LEU A 22 -0.554 -2.721 7.971 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.153 -0.703 9.735 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.204 -0.652 6.891 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.372 0.802 7.854 1.00 0.00 H new ATOM 0 HG LEU A 22 1.406 -1.564 8.510 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.262 -0.027 8.034 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.235 -0.301 6.606 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.096 1.217 7.525 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.295 -0.160 10.321 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.064 1.075 9.961 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.569 -0.531 10.547 1.00 0.00 H new ATOM 300 N VAL A 23 -3.360 -0.925 7.361 1.00 0.00 N ATOM 301 CA VAL A 23 -4.673 -0.467 6.936 1.00 0.00 C ATOM 302 C VAL A 23 -5.682 -0.712 8.060 1.00 0.00 C ATOM 303 O VAL A 23 -6.256 0.232 8.600 1.00 0.00 O ATOM 304 CB VAL A 23 -5.063 -1.146 5.623 1.00 0.00 C ATOM 305 CG1 VAL A 23 -6.487 -0.764 5.209 1.00 0.00 C ATOM 306 CG2 VAL A 23 -4.062 -0.814 4.514 1.00 0.00 C ATOM 0 H VAL A 23 -2.999 -1.727 6.844 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.660 0.605 6.740 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.039 -2.224 5.784 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.739 -1.261 4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.187 -1.075 5.984 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.550 0.316 5.076 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.363 -1.310 3.591 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.039 0.264 4.356 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.070 -1.160 4.804 1.00 0.00 H new ATOM 316 N ARG A 24 -5.867 -1.984 8.377 1.00 0.00 N ATOM 317 CA ARG A 24 -6.797 -2.365 9.427 1.00 0.00 C ATOM 318 C ARG A 24 -6.384 -1.735 10.758 1.00 0.00 C ATOM 319 O ARG A 24 -7.233 -1.413 11.587 1.00 0.00 O ATOM 320 CB ARG A 24 -6.854 -3.886 9.587 1.00 0.00 C ATOM 321 CG ARG A 24 -5.826 -4.369 10.612 1.00 0.00 C ATOM 322 CD ARG A 24 -5.572 -5.870 10.468 1.00 0.00 C ATOM 323 NE ARG A 24 -5.983 -6.574 11.703 1.00 0.00 N ATOM 324 CZ ARG A 24 -5.705 -7.869 11.965 1.00 0.00 C ATOM 325 NH1 ARG A 24 -5.010 -8.614 11.079 1.00 0.00 N ATOM 326 NH2 ARG A 24 -6.121 -8.396 13.101 1.00 0.00 N ATOM 0 H ARG A 24 -5.389 -2.764 7.926 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.785 -2.003 9.141 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.854 -4.185 9.901 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.666 -4.364 8.625 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.891 -3.824 10.479 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.182 -4.152 11.619 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.127 -6.261 9.615 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.515 -6.051 10.271 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.510 -6.048 12.400 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.691 -8.199 10.204 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.804 -9.592 11.285 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.644 -7.826 13.766 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.919 -9.373 13.314 1.00 0.00 H new ATOM 336 N GLN A 25 -5.079 -1.578 10.921 1.00 0.00 N ATOM 337 CA GLN A 25 -4.541 -0.992 12.137 1.00 0.00 C ATOM 338 C GLN A 25 -5.364 0.232 12.545 1.00 0.00 C ATOM 339 O GLN A 25 -6.040 0.215 13.574 1.00 0.00 O ATOM 340 CB GLN A 25 -3.066 -0.626 11.965 1.00 0.00 C ATOM 341 CG GLN A 25 -2.333 -0.654 13.308 1.00 0.00 C ATOM 342 CD GLN A 25 -1.815 -2.060 13.620 1.00 0.00 C ATOM 343 OE1 GLN A 25 -1.124 -2.685 12.832 1.00 0.00 O ATOM 344 NE2 GLN A 25 -2.186 -2.521 14.811 1.00 0.00 N ATOM 0 H GLN A 25 -4.378 -1.847 10.231 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.607 -1.734 12.933 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.593 -1.324 11.274 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.983 0.367 11.522 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.500 0.048 13.286 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.006 -0.326 14.101 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.765 -1.946 15.423 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.891 -3.450 15.113 1.00 0.00 H new ATOM 351 N PHE A 26 -5.282 1.263 11.718 1.00 0.00 N ATOM 352 CA PHE A 26 -6.012 2.492 11.979 1.00 0.00 C ATOM 353 C PHE A 26 -7.052 2.755 10.890 1.00 0.00 C ATOM 354 O PHE A 26 -8.212 3.040 11.188 1.00 0.00 O ATOM 355 CB PHE A 26 -4.987 3.630 11.975 1.00 0.00 C ATOM 356 CG PHE A 26 -3.671 3.285 12.673 1.00 0.00 C ATOM 357 CD1 PHE A 26 -2.682 2.652 11.986 1.00 0.00 C ATOM 358 CD2 PHE A 26 -3.489 3.610 13.981 1.00 0.00 C ATOM 359 CE1 PHE A 26 -1.460 2.330 12.633 1.00 0.00 C ATOM 360 CE2 PHE A 26 -2.266 3.289 14.629 1.00 0.00 C ATOM 361 CZ PHE A 26 -1.279 2.656 13.942 1.00 0.00 C ATOM 0 H PHE A 26 -4.721 1.273 10.866 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.535 2.418 12.932 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.776 3.911 10.943 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.426 4.502 12.460 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.827 2.394 10.947 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.274 4.112 14.527 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.675 1.827 12.087 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.121 3.548 15.667 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.350 2.411 14.435 1.00 0.00 H new ATOM 370 N GLY A 27 -6.601 2.651 9.648 1.00 0.00 N ATOM 371 CA GLY A 27 -7.480 2.874 8.512 1.00 0.00 C ATOM 372 C GLY A 27 -6.724 3.531 7.355 1.00 0.00 C ATOM 373 O GLY A 27 -6.039 4.534 7.546 1.00 0.00 O ATOM 0 H GLY A 27 -5.639 2.415 9.404 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.903 1.925 8.183 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.315 3.507 8.812 1.00 0.00 H new ATOM 377 N GLN A 28 -6.873 2.937 6.180 1.00 0.00 N ATOM 378 CA GLN A 28 -6.213 3.452 4.992 1.00 0.00 C ATOM 379 C GLN A 28 -6.577 4.922 4.778 1.00 0.00 C ATOM 380 O GLN A 28 -5.886 5.637 4.053 1.00 0.00 O ATOM 381 CB GLN A 28 -6.566 2.614 3.762 1.00 0.00 C ATOM 382 CG GLN A 28 -8.040 2.204 3.783 1.00 0.00 C ATOM 383 CD GLN A 28 -8.697 2.445 2.422 1.00 0.00 C ATOM 384 OE1 GLN A 28 -8.089 2.290 1.375 1.00 0.00 O ATOM 385 NE2 GLN A 28 -9.966 2.830 2.495 1.00 0.00 N ATOM 0 H GLN A 28 -7.441 2.104 6.025 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.135 3.383 5.140 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.356 3.184 2.857 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.938 1.724 3.731 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.124 1.150 4.050 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.568 2.770 4.551 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.414 2.940 3.405 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.493 3.015 1.641 1.00 0.00 H new ATOM 392 N GLN A 29 -7.660 5.331 5.422 1.00 0.00 N ATOM 393 CA GLN A 29 -8.124 6.703 5.311 1.00 0.00 C ATOM 394 C GLN A 29 -6.935 7.664 5.279 1.00 0.00 C ATOM 395 O GLN A 29 -6.883 8.566 4.444 1.00 0.00 O ATOM 396 CB GLN A 29 -9.081 7.053 6.452 1.00 0.00 C ATOM 397 CG GLN A 29 -10.471 7.401 5.916 1.00 0.00 C ATOM 398 CD GLN A 29 -10.484 8.801 5.298 1.00 0.00 C ATOM 399 OE1 GLN A 29 -10.664 9.803 5.971 1.00 0.00 O ATOM 400 NE2 GLN A 29 -10.286 8.814 3.983 1.00 0.00 N ATOM 0 H GLN A 29 -8.230 4.736 6.023 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.674 6.805 4.376 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.153 6.212 7.141 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.684 7.896 7.018 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.771 6.667 5.169 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.200 7.349 6.725 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.142 7.938 3.480 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.278 9.700 3.477 1.00 0.00 H new ATOM 407 N ASP A 30 -6.008 7.439 6.199 1.00 0.00 N ATOM 408 CA ASP A 30 -4.822 8.275 6.287 1.00 0.00 C ATOM 409 C ASP A 30 -3.606 7.478 5.812 1.00 0.00 C ATOM 410 O ASP A 30 -3.023 6.712 6.578 1.00 0.00 O ATOM 411 CB ASP A 30 -4.565 8.716 7.728 1.00 0.00 C ATOM 412 CG ASP A 30 -4.539 10.231 7.947 1.00 0.00 C ATOM 413 OD1 ASP A 30 -5.555 10.919 7.770 1.00 0.00 O ATOM 414 OD2 ASP A 30 -3.399 10.708 8.318 1.00 0.00 O ATOM 0 H ASP A 30 -6.054 6.690 6.890 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.982 9.155 5.664 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.336 8.285 8.367 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.612 8.301 8.054 1.00 0.00 H new ATOM 419 N TRP A 31 -3.259 7.684 4.550 1.00 0.00 N ATOM 420 CA TRP A 31 -2.122 6.994 3.965 1.00 0.00 C ATOM 421 C TRP A 31 -0.849 7.721 4.404 1.00 0.00 C ATOM 422 O TRP A 31 0.139 7.084 4.766 1.00 0.00 O ATOM 423 CB TRP A 31 -2.262 6.901 2.444 1.00 0.00 C ATOM 424 CG TRP A 31 -3.416 6.012 1.978 1.00 0.00 C ATOM 425 CD1 TRP A 31 -4.672 6.376 1.684 1.00 0.00 C ATOM 426 CD2 TRP A 31 -3.369 4.585 1.762 1.00 0.00 C ATOM 427 NE1 TRP A 31 -5.434 5.294 1.296 1.00 0.00 N ATOM 428 CE2 TRP A 31 -4.617 4.170 1.346 1.00 0.00 C ATOM 429 CE3 TRP A 31 -2.307 3.676 1.914 1.00 0.00 C ATOM 430 CZ2 TRP A 31 -4.922 2.837 1.047 1.00 0.00 C ATOM 431 CZ3 TRP A 31 -2.629 2.348 1.612 1.00 0.00 C ATOM 432 CH2 TRP A 31 -3.879 1.913 1.191 1.00 0.00 C ATOM 0 H TRP A 31 -3.745 8.319 3.917 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.073 5.964 4.318 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -2.404 7.904 2.041 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -1.331 6.518 2.027 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -5.041 7.389 1.743 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -6.416 5.315 1.023 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -1.322 3.978 2.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -5.908 2.537 0.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.849 1.608 1.714 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -4.046 0.868 0.976 1.00 0.00 H new ATOM 442 N LYS A 32 -0.916 9.043 4.360 1.00 0.00 N ATOM 443 CA LYS A 32 0.219 9.863 4.750 1.00 0.00 C ATOM 444 C LYS A 32 0.889 9.246 5.979 1.00 0.00 C ATOM 445 O LYS A 32 2.115 9.164 6.047 1.00 0.00 O ATOM 446 CB LYS A 32 -0.214 11.316 4.950 1.00 0.00 C ATOM 447 CG LYS A 32 -0.329 12.044 3.609 1.00 0.00 C ATOM 448 CD LYS A 32 0.494 13.334 3.613 1.00 0.00 C ATOM 449 CE LYS A 32 0.187 14.184 2.378 1.00 0.00 C ATOM 450 NZ LYS A 32 1.002 15.419 2.383 1.00 0.00 N ATOM 0 H LYS A 32 -1.738 9.567 4.060 1.00 0.00 H new ATOM 0 HA LYS A 32 0.965 9.884 3.956 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.173 11.345 5.467 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.507 11.830 5.586 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.015 11.392 2.806 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.374 12.276 3.406 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.277 13.905 4.515 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.556 13.092 3.637 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.392 13.610 1.474 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.872 14.440 2.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.781 15.984 1.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.787 15.973 3.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.011 15.169 2.378 1.00 0.00 H new ATOM 459 N PHE A 33 0.056 8.829 6.921 1.00 0.00 N ATOM 460 CA PHE A 33 0.553 8.223 8.145 1.00 0.00 C ATOM 461 C PHE A 33 1.102 6.820 7.877 1.00 0.00 C ATOM 462 O PHE A 33 2.176 6.467 8.364 1.00 0.00 O ATOM 463 CB PHE A 33 -0.633 8.119 9.106 1.00 0.00 C ATOM 464 CG PHE A 33 -0.349 7.283 10.356 1.00 0.00 C ATOM 465 CD1 PHE A 33 0.849 7.394 10.991 1.00 0.00 C ATOM 466 CD2 PHE A 33 -1.294 6.430 10.833 1.00 0.00 C ATOM 467 CE1 PHE A 33 1.112 6.619 12.151 1.00 0.00 C ATOM 468 CE2 PHE A 33 -1.030 5.654 11.993 1.00 0.00 C ATOM 469 CZ PHE A 33 0.166 5.765 12.628 1.00 0.00 C ATOM 0 H PHE A 33 -0.960 8.899 6.862 1.00 0.00 H new ATOM 0 HA PHE A 33 1.360 8.827 8.559 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.929 9.123 9.412 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.480 7.685 8.576 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.600 8.072 10.613 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.246 6.342 10.330 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.063 6.707 12.655 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.780 4.975 12.371 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.366 5.176 13.511 1.00 0.00 H new ATOM 478 N LEU A 34 0.342 6.059 7.105 1.00 0.00 N ATOM 479 CA LEU A 34 0.739 4.702 6.767 1.00 0.00 C ATOM 480 C LEU A 34 2.088 4.735 6.045 1.00 0.00 C ATOM 481 O LEU A 34 3.025 4.044 6.441 1.00 0.00 O ATOM 482 CB LEU A 34 -0.366 4.002 5.974 1.00 0.00 C ATOM 483 CG LEU A 34 -1.713 3.857 6.685 1.00 0.00 C ATOM 484 CD1 LEU A 34 -2.806 3.424 5.706 1.00 0.00 C ATOM 485 CD2 LEU A 34 -1.603 2.906 7.879 1.00 0.00 C ATOM 0 H LEU A 34 -0.547 6.356 6.703 1.00 0.00 H new ATOM 0 HA LEU A 34 0.875 4.108 7.671 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.525 4.552 5.047 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.014 3.008 5.699 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.000 4.833 7.076 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.753 3.328 6.237 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.906 4.171 4.918 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.539 2.464 5.264 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.574 2.821 8.367 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.283 1.923 7.533 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.874 3.296 8.589 1.00 0.00 H new ATOM 496 N ALA A 35 2.144 5.546 4.998 1.00 0.00 N ATOM 497 CA ALA A 35 3.361 5.679 4.218 1.00 0.00 C ATOM 498 C ALA A 35 4.509 6.099 5.138 1.00 0.00 C ATOM 499 O ALA A 35 5.652 5.691 4.937 1.00 0.00 O ATOM 500 CB ALA A 35 3.132 6.674 3.079 1.00 0.00 C ATOM 0 H ALA A 35 1.365 6.118 4.672 1.00 0.00 H new ATOM 0 HA ALA A 35 3.633 4.725 3.767 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.046 6.774 2.494 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.328 6.314 2.438 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.859 7.645 3.493 1.00 0.00 H new ATOM 506 N SER A 36 4.164 6.910 6.128 1.00 0.00 N ATOM 507 CA SER A 36 5.151 7.390 7.079 1.00 0.00 C ATOM 508 C SER A 36 5.685 6.225 7.913 1.00 0.00 C ATOM 509 O SER A 36 6.839 6.239 8.339 1.00 0.00 O ATOM 510 CB SER A 36 4.558 8.468 7.991 1.00 0.00 C ATOM 511 OG SER A 36 4.212 9.646 7.270 1.00 0.00 O ATOM 0 H SER A 36 3.215 7.246 6.291 1.00 0.00 H new ATOM 0 HA SER A 36 5.974 7.836 6.521 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.672 8.074 8.489 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.277 8.718 8.771 1.00 0.00 H new ATOM 0 HG SER A 36 3.758 9.399 6.437 1.00 0.00 H new ATOM 516 N HIS A 37 4.820 5.243 8.122 1.00 0.00 N ATOM 517 CA HIS A 37 5.190 4.071 8.897 1.00 0.00 C ATOM 518 C HIS A 37 6.271 3.284 8.153 1.00 0.00 C ATOM 519 O HIS A 37 7.059 2.569 8.770 1.00 0.00 O ATOM 520 CB HIS A 37 3.959 3.224 9.224 1.00 0.00 C ATOM 521 CG HIS A 37 3.508 3.326 10.663 1.00 0.00 C ATOM 522 ND1 HIS A 37 3.989 2.494 11.659 1.00 0.00 N ATOM 523 CD2 HIS A 37 2.618 4.168 11.260 1.00 0.00 C ATOM 524 CE1 HIS A 37 3.407 2.830 12.800 1.00 0.00 C ATOM 525 NE2 HIS A 37 2.557 3.867 12.551 1.00 0.00 N ATOM 0 H HIS A 37 3.864 5.235 7.768 1.00 0.00 H new ATOM 0 HA HIS A 37 5.609 4.381 9.854 1.00 0.00 H new ATOM 0 HB2 HIS A 37 3.138 3.528 8.574 1.00 0.00 H new ATOM 0 HB3 HIS A 37 4.177 2.181 8.995 1.00 0.00 H new ATOM 0 HD2 HIS A 37 2.057 4.948 10.766 1.00 0.00 H new ATOM 0 HE1 HIS A 37 3.576 2.364 13.760 1.00 0.00 H new ATOM 0 HE2 HIS A 37 1.971 4.334 13.243 1.00 0.00 H new ATOM 532 N PHE A 38 6.271 3.442 6.838 1.00 0.00 N ATOM 533 CA PHE A 38 7.242 2.754 6.003 1.00 0.00 C ATOM 534 C PHE A 38 8.506 3.598 5.821 1.00 0.00 C ATOM 535 O PHE A 38 8.503 4.795 6.107 1.00 0.00 O ATOM 536 CB PHE A 38 6.586 2.540 4.638 1.00 0.00 C ATOM 537 CG PHE A 38 5.736 1.270 4.548 1.00 0.00 C ATOM 538 CD1 PHE A 38 6.338 0.053 4.471 1.00 0.00 C ATOM 539 CD2 PHE A 38 4.379 1.360 4.545 1.00 0.00 C ATOM 540 CE1 PHE A 38 5.549 -1.125 4.389 1.00 0.00 C ATOM 541 CE2 PHE A 38 3.590 0.181 4.461 1.00 0.00 C ATOM 542 CZ PHE A 38 4.192 -1.036 4.385 1.00 0.00 C ATOM 0 H PHE A 38 5.615 4.035 6.330 1.00 0.00 H new ATOM 0 HA PHE A 38 7.531 1.812 6.468 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.959 3.402 4.409 1.00 0.00 H new ATOM 0 HB3 PHE A 38 7.363 2.499 3.875 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.416 -0.018 4.472 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.901 2.327 4.606 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.027 -2.092 4.330 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.512 0.252 4.458 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.592 -1.932 4.321 1.00 0.00 H new ATOM 551 N PRO A 39 9.582 2.925 5.334 1.00 0.00 N ATOM 552 CA PRO A 39 10.848 3.601 5.111 1.00 0.00 C ATOM 553 C PRO A 39 10.788 4.479 3.859 1.00 0.00 C ATOM 554 O PRO A 39 10.440 5.656 3.939 1.00 0.00 O ATOM 555 CB PRO A 39 11.876 2.485 5.005 1.00 0.00 C ATOM 556 CG PRO A 39 11.088 1.220 4.707 1.00 0.00 C ATOM 557 CD PRO A 39 9.621 1.508 4.985 1.00 0.00 C ATOM 0 HA PRO A 39 11.106 4.288 5.917 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.597 2.692 4.214 1.00 0.00 H new ATOM 0 HB3 PRO A 39 12.440 2.384 5.932 1.00 0.00 H new ATOM 0 HG2 PRO A 39 11.228 0.919 3.669 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.440 0.396 5.328 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.004 1.298 4.112 1.00 0.00 H new ATOM 0 HD3 PRO A 39 9.243 0.889 5.799 1.00 0.00 H new ATOM 562 N ASN A 40 11.134 3.873 2.733 1.00 0.00 N ATOM 563 CA ASN A 40 11.123 4.586 1.466 1.00 0.00 C ATOM 564 C ASN A 40 9.790 4.339 0.758 1.00 0.00 C ATOM 565 O ASN A 40 9.723 3.561 -0.193 1.00 0.00 O ATOM 566 CB ASN A 40 12.245 4.094 0.549 1.00 0.00 C ATOM 567 CG ASN A 40 12.293 2.565 0.513 1.00 0.00 C ATOM 568 OD1 ASN A 40 11.377 1.879 0.937 1.00 0.00 O ATOM 569 ND2 ASN A 40 13.409 2.071 -0.015 1.00 0.00 N ATOM 0 H ASN A 40 11.424 2.897 2.671 1.00 0.00 H new ATOM 0 HA ASN A 40 11.266 5.646 1.674 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.092 4.480 -0.459 1.00 0.00 H new ATOM 0 HB3 ASN A 40 13.202 4.483 0.898 1.00 0.00 H new ATOM 0 HD21 ASN A 40 13.537 1.061 -0.084 1.00 0.00 H new ATOM 0 HD22 ASN A 40 14.137 2.702 -0.351 1.00 0.00 H new ATOM 575 N ARG A 41 8.762 5.015 1.249 1.00 0.00 N ATOM 576 CA ARG A 41 7.434 4.878 0.675 1.00 0.00 C ATOM 577 C ARG A 41 6.663 6.194 0.803 1.00 0.00 C ATOM 578 O ARG A 41 7.101 7.108 1.499 1.00 0.00 O ATOM 579 CB ARG A 41 6.646 3.764 1.367 1.00 0.00 C ATOM 580 CG ARG A 41 7.428 2.448 1.349 1.00 0.00 C ATOM 581 CD ARG A 41 7.496 1.869 -0.065 1.00 0.00 C ATOM 582 NE ARG A 41 8.693 1.010 -0.203 1.00 0.00 N ATOM 583 CZ ARG A 41 9.238 0.655 -1.386 1.00 0.00 C ATOM 584 NH1 ARG A 41 8.696 1.083 -2.546 1.00 0.00 N ATOM 585 NH2 ARG A 41 10.308 -0.117 -1.392 1.00 0.00 N ATOM 0 H ARG A 41 8.822 5.659 2.038 1.00 0.00 H new ATOM 0 HA ARG A 41 7.553 4.622 -0.378 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.432 4.050 2.397 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.686 3.628 0.868 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.437 2.615 1.726 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.953 1.730 2.017 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.597 1.290 -0.273 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.531 2.677 -0.796 1.00 0.00 H new ATOM 0 HE ARG A 41 9.134 0.664 0.649 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.869 1.679 -2.533 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.114 0.810 -3.436 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.711 -0.437 -0.511 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.732 -0.394 -2.277 1.00 0.00 H new ATOM 595 N THR A 42 5.528 6.246 0.122 1.00 0.00 N ATOM 596 CA THR A 42 4.691 7.434 0.151 1.00 0.00 C ATOM 597 C THR A 42 3.214 7.049 0.042 1.00 0.00 C ATOM 598 O THR A 42 2.876 6.043 -0.579 1.00 0.00 O ATOM 599 CB THR A 42 5.160 8.370 -0.966 1.00 0.00 C ATOM 600 OG1 THR A 42 4.515 9.607 -0.675 1.00 0.00 O ATOM 601 CG2 THR A 42 4.604 7.972 -2.335 1.00 0.00 C ATOM 0 H THR A 42 5.168 5.485 -0.453 1.00 0.00 H new ATOM 0 HA THR A 42 4.787 7.963 1.099 1.00 0.00 H new ATOM 0 HB THR A 42 6.249 8.373 -1.004 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.765 10.273 -1.349 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.967 8.668 -3.091 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.934 6.963 -2.582 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.515 8.001 -2.308 1.00 0.00 H new ATOM 609 N ASP A 43 2.375 7.872 0.654 1.00 0.00 N ATOM 610 CA ASP A 43 0.943 7.631 0.633 1.00 0.00 C ATOM 611 C ASP A 43 0.532 7.141 -0.757 1.00 0.00 C ATOM 612 O ASP A 43 -0.247 6.197 -0.882 1.00 0.00 O ATOM 613 CB ASP A 43 0.164 8.912 0.932 1.00 0.00 C ATOM 614 CG ASP A 43 0.371 10.045 -0.075 1.00 0.00 C ATOM 615 OD1 ASP A 43 -0.154 10.006 -1.197 1.00 0.00 O ATOM 616 OD2 ASP A 43 1.119 11.012 0.338 1.00 0.00 O ATOM 0 H ASP A 43 2.660 8.706 1.167 1.00 0.00 H new ATOM 0 HA ASP A 43 0.716 6.885 1.395 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.898 8.672 0.973 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.448 9.269 1.922 1.00 0.00 H new ATOM 621 N GLN A 44 1.073 7.805 -1.767 1.00 0.00 N ATOM 622 CA GLN A 44 0.774 7.450 -3.143 1.00 0.00 C ATOM 623 C GLN A 44 1.099 5.976 -3.395 1.00 0.00 C ATOM 624 O GLN A 44 0.205 5.178 -3.670 1.00 0.00 O ATOM 625 CB GLN A 44 1.531 8.352 -4.121 1.00 0.00 C ATOM 626 CG GLN A 44 0.580 8.964 -5.151 1.00 0.00 C ATOM 627 CD GLN A 44 1.350 9.496 -6.361 1.00 0.00 C ATOM 628 OE1 GLN A 44 2.568 9.578 -6.367 1.00 0.00 O ATOM 629 NE2 GLN A 44 0.575 9.850 -7.383 1.00 0.00 N ATOM 0 H GLN A 44 1.718 8.588 -1.660 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.292 7.601 -3.311 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.037 9.146 -3.572 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.302 7.775 -4.631 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.141 8.214 -5.476 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.013 9.774 -4.692 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.438 9.755 -7.311 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.994 10.216 -8.238 1.00 0.00 H new ATOM 636 N GLN A 45 2.382 5.660 -3.290 1.00 0.00 N ATOM 637 CA GLN A 45 2.836 4.297 -3.502 1.00 0.00 C ATOM 638 C GLN A 45 1.938 3.315 -2.748 1.00 0.00 C ATOM 639 O GLN A 45 1.442 2.350 -3.328 1.00 0.00 O ATOM 640 CB GLN A 45 4.299 4.136 -3.082 1.00 0.00 C ATOM 641 CG GLN A 45 5.219 4.981 -3.965 1.00 0.00 C ATOM 642 CD GLN A 45 5.668 4.196 -5.200 1.00 0.00 C ATOM 643 OE1 GLN A 45 4.972 3.331 -5.705 1.00 0.00 O ATOM 644 NE2 GLN A 45 6.868 4.546 -5.656 1.00 0.00 N ATOM 0 H GLN A 45 3.121 6.325 -3.061 1.00 0.00 H new ATOM 0 HA GLN A 45 2.771 4.074 -4.567 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.417 4.432 -2.040 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.587 3.087 -3.150 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.699 5.887 -4.275 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.092 5.294 -3.392 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.399 5.279 -5.185 1.00 0.00 H new ATOM 0 HE22 GLN A 45 7.257 4.081 -6.476 1.00 0.00 H new ATOM 651 N CYS A 46 1.755 3.594 -1.466 1.00 0.00 N ATOM 652 CA CYS A 46 0.924 2.748 -0.627 1.00 0.00 C ATOM 653 C CYS A 46 -0.463 2.651 -1.264 1.00 0.00 C ATOM 654 O CYS A 46 -0.837 1.603 -1.789 1.00 0.00 O ATOM 655 CB CYS A 46 0.857 3.267 0.811 1.00 0.00 C ATOM 656 SG CYS A 46 2.461 2.998 1.650 1.00 0.00 S ATOM 0 H CYS A 46 2.168 4.395 -0.988 1.00 0.00 H new ATOM 0 HA CYS A 46 1.363 1.752 -0.564 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.611 4.329 0.812 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.063 2.755 1.354 1.00 0.00 H new ATOM 0 HG CYS A 46 2.284 2.241 2.692 1.00 0.00 H new ATOM 661 N GLN A 47 -1.188 3.758 -1.198 1.00 0.00 N ATOM 662 CA GLN A 47 -2.526 3.811 -1.763 1.00 0.00 C ATOM 663 C GLN A 47 -2.554 3.119 -3.126 1.00 0.00 C ATOM 664 O GLN A 47 -3.471 2.352 -3.419 1.00 0.00 O ATOM 665 CB GLN A 47 -3.018 5.256 -1.870 1.00 0.00 C ATOM 666 CG GLN A 47 -4.515 5.303 -2.183 1.00 0.00 C ATOM 667 CD GLN A 47 -5.239 6.277 -1.251 1.00 0.00 C ATOM 668 OE1 GLN A 47 -4.664 7.214 -0.722 1.00 0.00 O ATOM 669 NE2 GLN A 47 -6.529 6.003 -1.080 1.00 0.00 N ATOM 0 H GLN A 47 -0.874 4.625 -0.762 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.204 3.280 -1.095 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.821 5.781 -0.935 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.463 5.776 -2.651 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.664 5.606 -3.219 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.944 4.306 -2.078 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.947 5.202 -1.553 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.100 6.594 -0.476 1.00 0.00 H new ATOM 676 N TYR A 48 -1.539 3.413 -3.925 1.00 0.00 N ATOM 677 CA TYR A 48 -1.437 2.828 -5.251 1.00 0.00 C ATOM 678 C TYR A 48 -1.291 1.307 -5.170 1.00 0.00 C ATOM 679 O TYR A 48 -2.205 0.572 -5.540 1.00 0.00 O ATOM 680 CB TYR A 48 -0.170 3.417 -5.875 1.00 0.00 C ATOM 681 CG TYR A 48 0.167 2.848 -7.254 1.00 0.00 C ATOM 682 CD1 TYR A 48 0.911 1.691 -7.362 1.00 0.00 C ATOM 683 CD2 TYR A 48 -0.275 3.492 -8.392 1.00 0.00 C ATOM 684 CE1 TYR A 48 1.228 1.156 -8.660 1.00 0.00 C ATOM 685 CE2 TYR A 48 0.042 2.957 -9.691 1.00 0.00 C ATOM 686 CZ TYR A 48 0.778 1.815 -9.761 1.00 0.00 C ATOM 687 OH TYR A 48 1.077 1.310 -10.988 1.00 0.00 O ATOM 0 H TYR A 48 -0.780 4.049 -3.680 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.331 3.044 -5.836 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -0.287 4.498 -5.958 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.670 3.238 -5.204 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.256 1.186 -6.472 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.858 4.397 -8.308 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.810 0.252 -8.757 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.297 3.451 -10.589 1.00 0.00 H new ATOM 0 HH TYR A 48 0.690 1.884 -11.681 1.00 0.00 H new ATOM 696 N ARG A 49 -0.136 0.880 -4.683 1.00 0.00 N ATOM 697 CA ARG A 49 0.141 -0.540 -4.548 1.00 0.00 C ATOM 698 C ARG A 49 -1.073 -1.263 -3.960 1.00 0.00 C ATOM 699 O ARG A 49 -1.282 -2.446 -4.224 1.00 0.00 O ATOM 700 CB ARG A 49 1.355 -0.782 -3.650 1.00 0.00 C ATOM 701 CG ARG A 49 1.562 -2.277 -3.399 1.00 0.00 C ATOM 702 CD ARG A 49 2.183 -2.957 -4.622 1.00 0.00 C ATOM 703 NE ARG A 49 2.089 -4.427 -4.485 1.00 0.00 N ATOM 704 CZ ARG A 49 2.917 -5.300 -5.097 1.00 0.00 C ATOM 705 NH1 ARG A 49 3.913 -4.855 -5.894 1.00 0.00 N ATOM 706 NH2 ARG A 49 2.741 -6.594 -4.904 1.00 0.00 N ATOM 0 H ARG A 49 0.620 1.493 -4.377 1.00 0.00 H new ATOM 0 HA ARG A 49 0.356 -0.932 -5.542 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.246 -0.361 -4.116 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.218 -0.266 -2.700 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.208 -2.418 -2.533 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.607 -2.746 -3.164 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.670 -2.634 -5.528 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.226 -2.659 -4.724 1.00 0.00 H new ATOM 0 HE ARG A 49 1.352 -4.805 -3.890 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.043 -3.853 -6.037 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.535 -5.521 -6.353 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.988 -6.922 -4.299 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.358 -7.266 -5.359 1.00 0.00 H new ATOM 716 N TRP A 50 -1.840 -0.522 -3.174 1.00 0.00 N ATOM 717 CA TRP A 50 -3.026 -1.079 -2.546 1.00 0.00 C ATOM 718 C TRP A 50 -4.142 -1.114 -3.592 1.00 0.00 C ATOM 719 O TRP A 50 -4.644 -2.183 -3.932 1.00 0.00 O ATOM 720 CB TRP A 50 -3.406 -0.287 -1.293 1.00 0.00 C ATOM 721 CG TRP A 50 -4.832 -0.543 -0.804 1.00 0.00 C ATOM 722 CD1 TRP A 50 -5.979 -0.104 -1.340 1.00 0.00 C ATOM 723 CD2 TRP A 50 -5.220 -1.319 0.350 1.00 0.00 C ATOM 724 NE1 TRP A 50 -7.073 -0.539 -0.619 1.00 0.00 N ATOM 725 CE2 TRP A 50 -6.597 -1.302 0.440 1.00 0.00 C ATOM 726 CE3 TRP A 50 -4.433 -2.015 1.284 1.00 0.00 C ATOM 727 CZ2 TRP A 50 -7.307 -1.962 1.450 1.00 0.00 C ATOM 728 CZ3 TRP A 50 -5.157 -2.669 2.287 1.00 0.00 C ATOM 729 CH2 TRP A 50 -6.544 -2.660 2.393 1.00 0.00 C ATOM 0 H TRP A 50 -1.663 0.459 -2.958 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.839 -2.096 -2.202 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -2.708 -0.536 -0.493 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -3.289 0.777 -1.499 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -6.040 0.513 -2.225 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -8.051 -0.337 -0.826 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -3.355 -2.043 1.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -8.386 -1.934 1.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.600 -3.219 3.031 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -7.030 -3.189 3.199 1.00 0.00 H new ATOM 739 N LEU A 51 -4.496 0.069 -4.072 1.00 0.00 N ATOM 740 CA LEU A 51 -5.544 0.186 -5.073 1.00 0.00 C ATOM 741 C LEU A 51 -5.110 -0.543 -6.347 1.00 0.00 C ATOM 742 O LEU A 51 -5.899 -0.693 -7.278 1.00 0.00 O ATOM 743 CB LEU A 51 -5.907 1.655 -5.298 1.00 0.00 C ATOM 744 CG LEU A 51 -6.874 2.271 -4.286 1.00 0.00 C ATOM 745 CD1 LEU A 51 -7.075 3.764 -4.554 1.00 0.00 C ATOM 746 CD2 LEU A 51 -8.200 1.509 -4.262 1.00 0.00 C ATOM 0 H LEU A 51 -4.077 0.954 -3.787 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.459 -0.295 -4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.987 2.240 -5.294 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.343 1.752 -6.292 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.432 2.181 -3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.767 4.176 -3.819 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.117 4.279 -4.479 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.484 3.902 -5.555 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.870 1.967 -3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.658 1.545 -5.250 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.018 0.471 -3.984 1.00 0.00 H new ATOM 757 N ARG A 52 -3.858 -0.975 -6.346 1.00 0.00 N ATOM 758 CA ARG A 52 -3.311 -1.685 -7.490 1.00 0.00 C ATOM 759 C ARG A 52 -3.212 -3.181 -7.188 1.00 0.00 C ATOM 760 O ARG A 52 -3.608 -4.011 -8.006 1.00 0.00 O ATOM 761 CB ARG A 52 -1.924 -1.153 -7.856 1.00 0.00 C ATOM 762 CG ARG A 52 -2.017 0.249 -8.460 1.00 0.00 C ATOM 763 CD ARG A 52 -3.001 0.278 -9.632 1.00 0.00 C ATOM 764 NE ARG A 52 -2.744 -0.865 -10.536 1.00 0.00 N ATOM 765 CZ ARG A 52 -3.568 -1.236 -11.539 1.00 0.00 C ATOM 766 NH1 ARG A 52 -4.710 -0.555 -11.775 1.00 0.00 N ATOM 767 NH2 ARG A 52 -3.240 -2.274 -12.286 1.00 0.00 N ATOM 0 H ARG A 52 -3.207 -0.847 -5.572 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.984 -1.525 -8.333 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.294 -1.129 -6.967 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.447 -1.828 -8.567 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.336 0.958 -7.696 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.032 0.568 -8.800 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.024 0.235 -9.260 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.900 1.215 -10.179 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.891 -1.406 -10.392 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.955 0.246 -11.193 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.327 -0.842 -12.535 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.375 -2.782 -12.101 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.851 -2.568 -13.048 1.00 0.00 H new ATOM 777 N VAL A 53 -2.682 -3.482 -6.012 1.00 0.00 N ATOM 778 CA VAL A 53 -2.526 -4.864 -5.593 1.00 0.00 C ATOM 779 C VAL A 53 -3.520 -5.167 -4.470 1.00 0.00 C ATOM 780 O VAL A 53 -4.393 -6.020 -4.624 1.00 0.00 O ATOM 781 CB VAL A 53 -1.073 -5.129 -5.192 1.00 0.00 C ATOM 782 CG1 VAL A 53 -0.870 -6.595 -4.803 1.00 0.00 C ATOM 783 CG2 VAL A 53 -0.112 -4.722 -6.312 1.00 0.00 C ATOM 0 H VAL A 53 -2.355 -2.792 -5.336 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.750 -5.540 -6.418 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.850 -4.516 -4.319 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.171 -6.756 -4.522 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.515 -6.840 -3.960 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.121 -7.234 -5.650 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.914 -4.921 -6.001 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.337 -5.296 -7.211 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.228 -3.659 -6.522 1.00 0.00 H new ATOM 793 N LEU A 54 -3.353 -4.453 -3.367 1.00 0.00 N ATOM 794 CA LEU A 54 -4.226 -4.634 -2.220 1.00 0.00 C ATOM 795 C LEU A 54 -5.580 -3.983 -2.505 1.00 0.00 C ATOM 796 O LEU A 54 -5.939 -2.989 -1.878 1.00 0.00 O ATOM 797 CB LEU A 54 -3.551 -4.117 -0.947 1.00 0.00 C ATOM 798 CG LEU A 54 -2.033 -4.295 -0.873 1.00 0.00 C ATOM 799 CD1 LEU A 54 -1.493 -3.833 0.481 1.00 0.00 C ATOM 800 CD2 LEU A 54 -1.633 -5.737 -1.188 1.00 0.00 C ATOM 0 H LEU A 54 -2.626 -3.748 -3.243 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.413 -5.694 -2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.778 -3.056 -0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.998 -4.623 -0.091 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.578 -3.662 -1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.412 -3.970 0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.729 -2.779 0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.953 -4.420 1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.549 -5.835 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.099 -6.409 -0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.966 -5.996 -2.193 1.00 0.00 H new ATOM 811 N SER A 55 -6.296 -4.571 -3.453 1.00 0.00 N ATOM 812 CA SER A 55 -7.603 -4.061 -3.830 1.00 0.00 C ATOM 813 C SER A 55 -8.664 -5.144 -3.631 1.00 0.00 C ATOM 814 O SER A 55 -8.553 -6.236 -4.185 1.00 0.00 O ATOM 815 CB SER A 55 -7.606 -3.573 -5.280 1.00 0.00 C ATOM 816 OG SER A 55 -8.049 -2.223 -5.388 1.00 0.00 O ATOM 0 H SER A 55 -5.995 -5.396 -3.971 1.00 0.00 H new ATOM 0 HA SER A 55 -7.837 -3.211 -3.189 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.601 -3.659 -5.694 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.253 -4.216 -5.877 1.00 0.00 H new ATOM 0 HG SER A 55 -8.035 -1.948 -6.329 1.00 0.00 H new ATOM 821 N GLY A 56 -9.671 -4.802 -2.839 1.00 0.00 N ATOM 822 CA GLY A 56 -10.752 -5.732 -2.561 1.00 0.00 C ATOM 823 C GLY A 56 -11.333 -6.302 -3.856 1.00 0.00 C ATOM 824 O GLY A 56 -11.236 -5.677 -4.912 1.00 0.00 O ATOM 0 H GLY A 56 -9.760 -3.895 -2.382 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.385 -6.545 -1.935 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.536 -5.225 -1.999 1.00 0.00 H new ATOM 828 N PRO A 57 -11.939 -7.512 -3.731 1.00 0.00 N ATOM 829 CA PRO A 57 -12.536 -8.173 -4.879 1.00 0.00 C ATOM 830 C PRO A 57 -13.860 -7.510 -5.266 1.00 0.00 C ATOM 831 O PRO A 57 -14.780 -7.432 -4.454 1.00 0.00 O ATOM 832 CB PRO A 57 -12.699 -9.625 -4.458 1.00 0.00 C ATOM 833 CG PRO A 57 -12.621 -9.629 -2.940 1.00 0.00 C ATOM 834 CD PRO A 57 -12.074 -8.282 -2.498 1.00 0.00 C ATOM 0 HA PRO A 57 -11.919 -8.100 -5.774 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -13.652 -10.027 -4.801 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.916 -10.248 -4.891 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.607 -9.801 -2.508 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.975 -10.436 -2.593 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -12.749 -7.791 -1.797 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.114 -8.391 -1.993 1.00 0.00 H new ATOM 839 N SER A 58 -13.915 -7.051 -6.508 1.00 0.00 N ATOM 840 CA SER A 58 -15.111 -6.399 -7.012 1.00 0.00 C ATOM 841 C SER A 58 -15.426 -6.900 -8.423 1.00 0.00 C ATOM 842 O SER A 58 -14.921 -6.357 -9.406 1.00 0.00 O ATOM 843 CB SER A 58 -14.949 -4.878 -7.014 1.00 0.00 C ATOM 844 OG SER A 58 -14.837 -4.352 -5.694 1.00 0.00 O ATOM 0 H SER A 58 -13.150 -7.118 -7.180 1.00 0.00 H new ATOM 0 HA SER A 58 -15.941 -6.649 -6.351 1.00 0.00 H new ATOM 0 HB2 SER A 58 -14.063 -4.608 -7.588 1.00 0.00 H new ATOM 0 HB3 SER A 58 -15.804 -4.423 -7.515 1.00 0.00 H new ATOM 0 HG SER A 58 -14.733 -3.378 -5.737 1.00 0.00 H new ATOM 849 N SER A 59 -16.257 -7.930 -8.479 1.00 0.00 N ATOM 850 CA SER A 59 -16.645 -8.511 -9.754 1.00 0.00 C ATOM 851 C SER A 59 -17.654 -7.602 -10.457 1.00 0.00 C ATOM 852 O SER A 59 -18.859 -7.714 -10.231 1.00 0.00 O ATOM 853 CB SER A 59 -17.231 -9.911 -9.566 1.00 0.00 C ATOM 854 OG SER A 59 -16.357 -10.762 -8.828 1.00 0.00 O ATOM 0 H SER A 59 -16.673 -8.378 -7.662 1.00 0.00 H new ATOM 0 HA SER A 59 -15.753 -8.601 -10.375 1.00 0.00 H new ATOM 0 HB2 SER A 59 -18.187 -9.837 -9.048 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.430 -10.354 -10.542 1.00 0.00 H new ATOM 0 HG SER A 59 -16.768 -11.646 -8.728 1.00 0.00 H new ATOM 859 N GLY A 60 -17.128 -6.722 -11.296 1.00 0.00 N ATOM 860 CA GLY A 60 -17.968 -5.795 -12.034 1.00 0.00 C ATOM 861 C GLY A 60 -18.036 -4.438 -11.331 1.00 0.00 C ATOM 862 O GLY A 60 -17.112 -3.631 -11.441 1.00 0.00 O ATOM 0 H GLY A 60 -16.129 -6.632 -11.481 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -17.575 -5.667 -13.043 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -18.972 -6.208 -12.133 1.00 0.00 H new TER 866 GLY A 60