USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 398 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 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.0258 K(o=-0.026,f=-1.2) USER MOD Single : A 23 ASN : amide:sc= -0.0711 X(o=-0.071,f=-0.071) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -80:sc= -3.42 USER MOD Single : A 32 GLN : amide:sc= -3.38 K(o=-3.4,f=-10!) USER MOD Single : A 33 GLN : amide:sc= -1.36 K(o=-1.4,f=-4.4!) USER MOD Single : A 35 SER OG : rot -52:sc= 0.867 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.446 X(o=-0.45,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.039) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -1.27 K(o=-1.3,f=-2.7!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -167:sc=-0.000113 (180deg=-0.0335) USER MOD Single : A 57 LYS NZ :NH3+ -148:sc= 0 (180deg=-1.11) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 16 -12.732 18.178 -11.507 1.00 0.00 N ATOM 2 CA ALA A 16 -11.386 17.821 -10.989 1.00 0.00 C ATOM 3 C ALA A 16 -11.474 16.695 -9.966 1.00 0.00 C ATOM 4 O ALA A 16 -10.767 15.692 -10.069 1.00 0.00 O ATOM 5 CB ALA A 16 -10.718 19.042 -10.373 1.00 0.00 C ATOM 0 HA ALA A 16 -10.782 17.472 -11.826 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.733 18.767 -9.997 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.614 19.820 -11.129 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.329 19.415 -9.551 1.00 0.00 H new ATOM 13 N LYS A 17 -12.346 16.866 -8.978 1.00 0.00 N ATOM 14 CA LYS A 17 -12.527 15.862 -7.935 1.00 0.00 C ATOM 15 C LYS A 17 -13.535 14.803 -8.369 1.00 0.00 C ATOM 16 O LYS A 17 -14.695 15.110 -8.640 1.00 0.00 O ATOM 17 CB LYS A 17 -12.991 16.524 -6.636 1.00 0.00 C ATOM 18 CG LYS A 17 -14.165 17.470 -6.820 1.00 0.00 C ATOM 19 CD LYS A 17 -14.781 17.860 -5.485 1.00 0.00 C ATOM 20 CE LYS A 17 -15.953 18.810 -5.669 1.00 0.00 C ATOM 21 NZ LYS A 17 -16.001 19.847 -4.602 1.00 0.00 N ATOM 0 H LYS A 17 -12.939 17.690 -8.877 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.567 15.375 -7.763 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.269 15.749 -5.922 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.157 17.074 -6.201 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.833 18.366 -7.344 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.921 16.996 -7.446 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -15.116 16.964 -4.962 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -14.024 18.331 -4.858 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -15.878 19.294 -6.643 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -16.884 18.243 -5.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -16.814 20.474 -4.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -16.098 19.387 -3.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -15.124 20.405 -4.621 1.00 0.00 H new ATOM 35 N ARG A 18 -13.083 13.555 -8.432 1.00 0.00 N ATOM 36 CA ARG A 18 -13.944 12.449 -8.832 1.00 0.00 C ATOM 37 C ARG A 18 -13.406 11.122 -8.307 1.00 0.00 C ATOM 38 O ARG A 18 -14.079 10.423 -7.551 1.00 0.00 O ATOM 39 CB ARG A 18 -14.065 12.395 -10.356 1.00 0.00 C ATOM 40 CG ARG A 18 -14.820 13.573 -10.949 1.00 0.00 C ATOM 41 CD ARG A 18 -15.351 13.252 -12.337 1.00 0.00 C ATOM 42 NE ARG A 18 -16.342 12.179 -12.308 1.00 0.00 N ATOM 43 CZ ARG A 18 -17.193 11.929 -13.301 1.00 0.00 C ATOM 44 NH1 ARG A 18 -17.177 12.672 -14.401 1.00 0.00 N ATOM 45 NH2 ARG A 18 -18.062 10.934 -13.194 1.00 0.00 N ATOM 0 H ARG A 18 -12.125 13.284 -8.211 1.00 0.00 H new ATOM 0 HA ARG A 18 -14.931 12.616 -8.401 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.066 12.359 -10.790 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.569 11.471 -10.639 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.649 13.842 -10.294 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.161 14.440 -11.002 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.798 14.147 -12.770 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.523 12.964 -12.984 1.00 0.00 H new ATOM 0 HE ARG A 18 -16.384 11.587 -11.479 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.510 13.439 -14.489 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.831 12.476 -15.159 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -18.079 10.360 -12.351 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -18.714 10.742 -13.955 1.00 0.00 H new ATOM 59 N GLU A 19 -12.188 10.782 -8.715 1.00 0.00 N ATOM 60 CA GLU A 19 -11.557 9.539 -8.287 1.00 0.00 C ATOM 61 C GLU A 19 -10.061 9.737 -8.067 1.00 0.00 C ATOM 62 O GLU A 19 -9.507 10.784 -8.402 1.00 0.00 O ATOM 63 CB GLU A 19 -11.792 8.440 -9.325 1.00 0.00 C ATOM 64 CG GLU A 19 -12.030 7.068 -8.715 1.00 0.00 C ATOM 65 CD GLU A 19 -10.816 6.167 -8.815 1.00 0.00 C ATOM 66 OE1 GLU A 19 -10.073 6.279 -9.813 1.00 0.00 O ATOM 67 OE2 GLU A 19 -10.607 5.348 -7.895 1.00 0.00 O ATOM 0 H GLU A 19 -11.618 11.350 -9.342 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.008 9.238 -7.341 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -12.651 8.709 -9.939 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.929 8.389 -9.989 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.307 7.184 -7.667 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.873 6.593 -9.217 1.00 0.00 H new ATOM 74 N PHE A 20 -9.412 8.724 -7.502 1.00 0.00 N ATOM 75 CA PHE A 20 -7.980 8.787 -7.237 1.00 0.00 C ATOM 76 C PHE A 20 -7.283 7.517 -7.716 1.00 0.00 C ATOM 77 O PHE A 20 -7.901 6.656 -8.342 1.00 0.00 O ATOM 78 CB PHE A 20 -7.725 8.994 -5.743 1.00 0.00 C ATOM 79 CG PHE A 20 -8.304 7.911 -4.878 1.00 0.00 C ATOM 80 CD1 PHE A 20 -7.768 6.634 -4.894 1.00 0.00 C ATOM 81 CD2 PHE A 20 -9.385 8.171 -4.050 1.00 0.00 C ATOM 82 CE1 PHE A 20 -8.299 5.635 -4.099 1.00 0.00 C ATOM 83 CE2 PHE A 20 -9.919 7.177 -3.253 1.00 0.00 C ATOM 84 CZ PHE A 20 -9.376 5.907 -3.278 1.00 0.00 C ATOM 0 H PHE A 20 -9.855 7.850 -7.219 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.569 9.634 -7.787 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.650 9.049 -5.571 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -8.146 9.953 -5.441 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.926 6.416 -5.534 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -9.814 9.162 -4.028 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.872 4.643 -4.120 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -10.760 7.393 -2.611 1.00 0.00 H new ATOM 0 HZ PHE A 20 -9.793 5.128 -2.657 1.00 0.00 H new ATOM 94 N ASN A 21 -5.992 7.408 -7.419 1.00 0.00 N ATOM 95 CA ASN A 21 -5.211 6.244 -7.820 1.00 0.00 C ATOM 96 C ASN A 21 -5.556 5.029 -6.969 1.00 0.00 C ATOM 97 O ASN A 21 -5.054 4.874 -5.856 1.00 0.00 O ATOM 98 CB ASN A 21 -3.717 6.544 -7.714 1.00 0.00 C ATOM 99 CG ASN A 21 -3.297 7.712 -8.584 1.00 0.00 C ATOM 100 OD1 ASN A 21 -3.657 8.859 -8.319 1.00 0.00 O ATOM 101 ND2 ASN A 21 -2.533 7.426 -9.632 1.00 0.00 N ATOM 0 H ASN A 21 -5.465 8.112 -6.902 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.459 6.018 -8.857 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.466 6.760 -6.676 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.150 5.658 -8.002 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.221 8.171 -10.254 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.258 6.461 -9.814 1.00 0.00 H new ATOM 108 N GLU A 22 -6.409 4.165 -7.505 1.00 0.00 N ATOM 109 CA GLU A 22 -6.815 2.956 -6.799 1.00 0.00 C ATOM 110 C GLU A 22 -5.634 2.004 -6.667 1.00 0.00 C ATOM 111 O GLU A 22 -5.495 1.055 -7.439 1.00 0.00 O ATOM 112 CB GLU A 22 -7.971 2.271 -7.531 1.00 0.00 C ATOM 113 CG GLU A 22 -9.076 1.794 -6.604 1.00 0.00 C ATOM 114 CD GLU A 22 -9.766 0.543 -7.112 1.00 0.00 C ATOM 115 OE1 GLU A 22 -9.781 0.332 -8.343 1.00 0.00 O ATOM 116 OE2 GLU A 22 -10.292 -0.225 -6.280 1.00 0.00 O ATOM 0 H GLU A 22 -6.833 4.279 -8.426 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.155 3.233 -5.801 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.392 2.965 -8.259 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.583 1.419 -8.090 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.657 1.598 -5.617 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.813 2.588 -6.485 1.00 0.00 H new ATOM 123 N ASN A 23 -4.775 2.278 -5.693 1.00 0.00 N ATOM 124 CA ASN A 23 -3.591 1.463 -5.466 1.00 0.00 C ATOM 125 C ASN A 23 -2.681 1.502 -6.683 1.00 0.00 C ATOM 126 O ASN A 23 -2.675 0.587 -7.506 1.00 0.00 O ATOM 127 CB ASN A 23 -3.966 0.023 -5.156 1.00 0.00 C ATOM 128 CG ASN A 23 -5.135 -0.087 -4.196 1.00 0.00 C ATOM 129 OD1 ASN A 23 -6.134 -0.744 -4.487 1.00 0.00 O ATOM 130 ND2 ASN A 23 -5.015 0.560 -3.042 1.00 0.00 N ATOM 0 H ASN A 23 -4.878 3.061 -5.047 1.00 0.00 H new ATOM 0 HA ASN A 23 -3.064 1.876 -4.606 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.215 -0.491 -6.085 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.103 -0.489 -4.730 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.769 0.524 -2.356 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -4.169 1.093 -2.842 1.00 0.00 H new ATOM 137 N ARG A 24 -1.921 2.576 -6.781 1.00 0.00 N ATOM 138 CA ARG A 24 -0.995 2.781 -7.889 1.00 0.00 C ATOM 139 C ARG A 24 0.059 3.817 -7.517 1.00 0.00 C ATOM 140 O ARG A 24 1.258 3.541 -7.547 1.00 0.00 O ATOM 141 CB ARG A 24 -1.757 3.245 -9.135 1.00 0.00 C ATOM 142 CG ARG A 24 -2.834 2.275 -9.591 1.00 0.00 C ATOM 143 CD ARG A 24 -3.355 2.633 -10.973 1.00 0.00 C ATOM 144 NE ARG A 24 -4.711 2.138 -11.194 1.00 0.00 N ATOM 145 CZ ARG A 24 -5.360 2.243 -12.352 1.00 0.00 C ATOM 146 NH1 ARG A 24 -4.779 2.822 -13.396 1.00 0.00 N ATOM 147 NH2 ARG A 24 -6.592 1.766 -12.467 1.00 0.00 N ATOM 0 H ARG A 24 -1.925 3.333 -6.098 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.500 1.834 -8.103 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.215 4.212 -8.930 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.047 3.395 -9.949 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.432 1.262 -9.604 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.658 2.282 -8.877 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.340 3.716 -11.096 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.690 2.217 -11.730 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.189 1.685 -10.415 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.831 3.189 -13.313 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.281 2.900 -14.281 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.042 1.319 -11.669 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.089 1.846 -13.354 1.00 0.00 H new ATOM 161 N TYR A 25 -0.410 5.012 -7.168 1.00 0.00 N ATOM 162 CA TYR A 25 0.462 6.121 -6.781 1.00 0.00 C ATOM 163 C TYR A 25 1.636 5.647 -5.924 1.00 0.00 C ATOM 164 O TYR A 25 2.785 6.016 -6.166 1.00 0.00 O ATOM 165 CB TYR A 25 -0.347 7.169 -6.012 1.00 0.00 C ATOM 166 CG TYR A 25 -0.877 6.665 -4.685 1.00 0.00 C ATOM 167 CD1 TYR A 25 -1.790 5.617 -4.631 1.00 0.00 C ATOM 168 CD2 TYR A 25 -0.456 7.228 -3.487 1.00 0.00 C ATOM 169 CE1 TYR A 25 -2.267 5.147 -3.425 1.00 0.00 C ATOM 170 CE2 TYR A 25 -0.931 6.764 -2.275 1.00 0.00 C ATOM 171 CZ TYR A 25 -1.835 5.723 -2.249 1.00 0.00 C ATOM 172 OH TYR A 25 -2.309 5.257 -1.044 1.00 0.00 O ATOM 0 H TYR A 25 -1.404 5.240 -7.145 1.00 0.00 H new ATOM 0 HA TYR A 25 0.869 6.559 -7.692 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.279 8.044 -5.836 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.184 7.495 -6.629 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -2.132 5.163 -5.550 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.254 8.042 -3.503 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -2.975 4.332 -3.402 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.596 7.215 -1.353 1.00 0.00 H new ATOM 0 HH TYR A 25 -1.905 5.770 -0.313 1.00 0.00 H new ATOM 182 N LEU A 26 1.335 4.831 -4.920 1.00 0.00 N ATOM 183 CA LEU A 26 2.359 4.308 -4.022 1.00 0.00 C ATOM 184 C LEU A 26 2.360 2.781 -4.016 1.00 0.00 C ATOM 185 O LEU A 26 3.336 2.154 -3.606 1.00 0.00 O ATOM 186 CB LEU A 26 2.153 4.869 -2.602 1.00 0.00 C ATOM 187 CG LEU A 26 1.394 3.978 -1.603 1.00 0.00 C ATOM 188 CD1 LEU A 26 0.106 3.440 -2.212 1.00 0.00 C ATOM 189 CD2 LEU A 26 2.277 2.838 -1.115 1.00 0.00 C ATOM 0 H LEU A 26 0.388 4.517 -4.707 1.00 0.00 H new ATOM 0 HA LEU A 26 3.335 4.632 -4.384 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.133 5.092 -2.180 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.619 5.815 -2.686 1.00 0.00 H new ATOM 0 HG LEU A 26 1.126 4.594 -0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.408 2.814 -1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.539 4.273 -2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.341 2.848 -3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.719 2.222 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.586 2.228 -1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.159 3.246 -0.621 1.00 0.00 H new ATOM 201 N THR A 27 1.261 2.188 -4.468 1.00 0.00 N ATOM 202 CA THR A 27 1.135 0.738 -4.508 1.00 0.00 C ATOM 203 C THR A 27 2.284 0.106 -5.295 1.00 0.00 C ATOM 204 O THR A 27 3.233 -0.418 -4.712 1.00 0.00 O ATOM 205 CB THR A 27 -0.211 0.347 -5.125 1.00 0.00 C ATOM 206 OG1 THR A 27 -1.272 0.682 -4.249 1.00 0.00 O ATOM 207 CG2 THR A 27 -0.330 -1.128 -5.442 1.00 0.00 C ATOM 0 H THR A 27 0.443 2.691 -4.812 1.00 0.00 H new ATOM 0 HA THR A 27 1.182 0.362 -3.486 1.00 0.00 H new ATOM 0 HB THR A 27 -0.270 0.903 -6.061 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.352 -0.005 -3.554 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.310 -1.329 -5.876 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.447 -1.411 -6.152 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.213 -1.708 -4.526 1.00 0.00 H new ATOM 215 N GLU A 28 2.184 0.155 -6.619 1.00 0.00 N ATOM 216 CA GLU A 28 3.206 -0.417 -7.489 1.00 0.00 C ATOM 217 C GLU A 28 4.559 0.256 -7.282 1.00 0.00 C ATOM 218 O GLU A 28 5.604 -0.387 -7.388 1.00 0.00 O ATOM 219 CB GLU A 28 2.784 -0.288 -8.954 1.00 0.00 C ATOM 220 CG GLU A 28 1.446 -0.939 -9.262 1.00 0.00 C ATOM 221 CD GLU A 28 1.291 -1.288 -10.729 1.00 0.00 C ATOM 222 OE1 GLU A 28 1.684 -0.463 -11.581 1.00 0.00 O ATOM 223 OE2 GLU A 28 0.778 -2.387 -11.027 1.00 0.00 O ATOM 0 H GLU A 28 1.404 0.586 -7.114 1.00 0.00 H new ATOM 0 HA GLU A 28 3.308 -1.471 -7.230 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.733 0.769 -9.217 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.551 -0.737 -9.585 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.340 -1.844 -8.664 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.642 -0.266 -8.966 1.00 0.00 H new ATOM 230 N ARG A 29 4.538 1.553 -6.997 1.00 0.00 N ATOM 231 CA ARG A 29 5.769 2.306 -6.787 1.00 0.00 C ATOM 232 C ARG A 29 6.499 1.832 -5.534 1.00 0.00 C ATOM 233 O ARG A 29 7.703 1.575 -5.566 1.00 0.00 O ATOM 234 CB ARG A 29 5.461 3.802 -6.680 1.00 0.00 C ATOM 235 CG ARG A 29 6.168 4.645 -7.729 1.00 0.00 C ATOM 236 CD ARG A 29 7.677 4.626 -7.541 1.00 0.00 C ATOM 237 NE ARG A 29 8.366 4.075 -8.706 1.00 0.00 N ATOM 238 CZ ARG A 29 9.668 4.226 -8.936 1.00 0.00 C ATOM 239 NH1 ARG A 29 10.426 4.907 -8.085 1.00 0.00 N ATOM 240 NH2 ARG A 29 10.215 3.692 -10.020 1.00 0.00 N ATOM 0 H ARG A 29 3.684 2.104 -6.906 1.00 0.00 H new ATOM 0 HA ARG A 29 6.420 2.134 -7.644 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.385 3.950 -6.771 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.748 4.154 -5.689 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.920 4.272 -8.723 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.807 5.672 -7.674 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.032 5.640 -7.355 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.925 4.035 -6.660 1.00 0.00 H new ATOM 0 HE ARG A 29 7.817 3.544 -9.382 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.011 5.318 -7.249 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.423 5.019 -8.267 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.638 3.166 -10.676 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.213 3.807 -10.197 1.00 0.00 H new ATOM 254 N ARG A 30 5.767 1.721 -4.433 1.00 0.00 N ATOM 255 CA ARG A 30 6.349 1.280 -3.170 1.00 0.00 C ATOM 256 C ARG A 30 6.490 -0.240 -3.121 1.00 0.00 C ATOM 257 O ARG A 30 7.340 -0.768 -2.405 1.00 0.00 O ATOM 258 CB ARG A 30 5.499 1.764 -1.994 1.00 0.00 C ATOM 259 CG ARG A 30 6.295 1.977 -0.716 1.00 0.00 C ATOM 260 CD ARG A 30 5.789 3.179 0.066 1.00 0.00 C ATOM 261 NE ARG A 30 6.841 4.168 0.291 1.00 0.00 N ATOM 262 CZ ARG A 30 6.627 5.369 0.824 1.00 0.00 C ATOM 263 NH1 ARG A 30 5.403 5.733 1.188 1.00 0.00 N ATOM 264 NH2 ARG A 30 7.639 6.209 0.993 1.00 0.00 N ATOM 0 H ARG A 30 4.770 1.930 -4.388 1.00 0.00 H new ATOM 0 HA ARG A 30 7.346 1.715 -3.095 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.012 2.699 -2.269 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.709 1.037 -1.804 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.231 1.084 -0.094 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.347 2.119 -0.962 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.965 3.643 -0.476 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.393 2.847 1.025 1.00 0.00 H new ATOM 0 HE ARG A 30 7.795 3.924 0.024 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.621 5.091 1.060 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.245 6.654 1.596 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.581 5.935 0.715 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.475 7.129 1.401 1.00 0.00 H new ATOM 278 N ARG A 31 5.648 -0.940 -3.876 1.00 0.00 N ATOM 279 CA ARG A 31 5.683 -2.399 -3.902 1.00 0.00 C ATOM 280 C ARG A 31 7.006 -2.910 -4.463 1.00 0.00 C ATOM 281 O ARG A 31 7.593 -3.851 -3.928 1.00 0.00 O ATOM 282 CB ARG A 31 4.519 -2.946 -4.731 1.00 0.00 C ATOM 283 CG ARG A 31 3.275 -3.245 -3.908 1.00 0.00 C ATOM 284 CD ARG A 31 2.243 -4.022 -4.711 1.00 0.00 C ATOM 285 NE ARG A 31 2.797 -5.251 -5.279 1.00 0.00 N ATOM 286 CZ ARG A 31 3.327 -5.338 -6.499 1.00 0.00 C ATOM 287 NH1 ARG A 31 3.392 -4.269 -7.284 1.00 0.00 N ATOM 288 NH2 ARG A 31 3.798 -6.498 -6.934 1.00 0.00 N ATOM 0 H ARG A 31 4.936 -0.523 -4.476 1.00 0.00 H new ATOM 0 HA ARG A 31 5.588 -2.752 -2.875 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.266 -2.224 -5.508 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.839 -3.858 -5.235 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.553 -3.817 -3.023 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.836 -2.310 -3.559 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.397 -4.269 -4.070 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.861 -3.392 -5.514 1.00 0.00 H new ATOM 0 HE ARG A 31 2.776 -6.094 -4.706 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.035 -3.372 -6.955 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.799 -4.345 -8.216 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.755 -7.323 -6.335 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.204 -6.566 -7.867 1.00 0.00 H new ATOM 302 N GLN A 32 7.470 -2.290 -5.541 1.00 0.00 N ATOM 303 CA GLN A 32 8.725 -2.693 -6.166 1.00 0.00 C ATOM 304 C GLN A 32 9.915 -2.295 -5.300 1.00 0.00 C ATOM 305 O GLN A 32 10.900 -3.028 -5.205 1.00 0.00 O ATOM 306 CB GLN A 32 8.854 -2.071 -7.559 1.00 0.00 C ATOM 307 CG GLN A 32 8.969 -0.555 -7.545 1.00 0.00 C ATOM 308 CD GLN A 32 10.406 -0.080 -7.637 1.00 0.00 C ATOM 309 OE1 GLN A 32 11.291 -0.602 -6.959 1.00 0.00 O ATOM 310 NE2 GLN A 32 10.646 0.918 -8.481 1.00 0.00 N ATOM 0 H GLN A 32 6.999 -1.510 -5.999 1.00 0.00 H new ATOM 0 HA GLN A 32 8.720 -3.778 -6.266 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.731 -2.488 -8.053 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.987 -2.355 -8.155 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.400 -0.143 -8.378 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.520 -0.168 -6.630 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.883 1.322 -9.024 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.594 1.280 -8.586 1.00 0.00 H new ATOM 319 N GLN A 33 9.818 -1.130 -4.667 1.00 0.00 N ATOM 320 CA GLN A 33 10.887 -0.637 -3.807 1.00 0.00 C ATOM 321 C GLN A 33 10.901 -1.377 -2.474 1.00 0.00 C ATOM 322 O GLN A 33 11.965 -1.683 -1.935 1.00 0.00 O ATOM 323 CB GLN A 33 10.726 0.866 -3.568 1.00 0.00 C ATOM 324 CG GLN A 33 11.320 1.724 -4.673 1.00 0.00 C ATOM 325 CD GLN A 33 10.594 3.045 -4.839 1.00 0.00 C ATOM 326 OE1 GLN A 33 10.248 3.441 -5.952 1.00 0.00 O ATOM 327 NE2 GLN A 33 10.358 3.734 -3.729 1.00 0.00 N ATOM 0 H GLN A 33 9.010 -0.511 -4.734 1.00 0.00 H new ATOM 0 HA GLN A 33 11.836 -0.819 -4.311 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.666 1.098 -3.469 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.199 1.128 -2.622 1.00 0.00 H new ATOM 0 HG2 GLN A 33 12.370 1.916 -4.454 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.286 1.174 -5.613 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.663 3.368 -2.827 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.872 4.629 -3.778 1.00 0.00 H new ATOM 336 N LEU A 34 9.715 -1.661 -1.945 1.00 0.00 N ATOM 337 CA LEU A 34 9.598 -2.366 -0.675 1.00 0.00 C ATOM 338 C LEU A 34 10.164 -3.774 -0.786 1.00 0.00 C ATOM 339 O LEU A 34 10.785 -4.280 0.148 1.00 0.00 O ATOM 340 CB LEU A 34 8.137 -2.421 -0.227 1.00 0.00 C ATOM 341 CG LEU A 34 7.627 -1.165 0.485 1.00 0.00 C ATOM 342 CD1 LEU A 34 6.235 -1.401 1.045 1.00 0.00 C ATOM 343 CD2 LEU A 34 8.583 -0.751 1.595 1.00 0.00 C ATOM 0 H LEU A 34 8.824 -1.414 -2.375 1.00 0.00 H new ATOM 0 HA LEU A 34 10.174 -1.819 0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.512 -2.603 -1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.010 -3.274 0.439 1.00 0.00 H new ATOM 0 HG LEU A 34 7.576 -0.355 -0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.887 -0.499 1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.553 -1.649 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.264 -2.225 1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.202 0.143 2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.668 -1.558 2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.565 -0.541 1.170 1.00 0.00 H new ATOM 355 N SER A 35 9.951 -4.402 -1.936 1.00 0.00 N ATOM 356 CA SER A 35 10.447 -5.751 -2.166 1.00 0.00 C ATOM 357 C SER A 35 11.969 -5.785 -2.073 1.00 0.00 C ATOM 358 O SER A 35 12.538 -6.577 -1.321 1.00 0.00 O ATOM 359 CB SER A 35 9.996 -6.257 -3.537 1.00 0.00 C ATOM 360 OG SER A 35 10.620 -5.529 -4.581 1.00 0.00 O ATOM 0 H SER A 35 9.439 -3.999 -2.721 1.00 0.00 H new ATOM 0 HA SER A 35 10.035 -6.403 -1.396 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.236 -7.316 -3.634 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.913 -6.166 -3.623 1.00 0.00 H new ATOM 0 HG SER A 35 10.485 -4.569 -4.437 1.00 0.00 H new ATOM 366 N SER A 36 12.622 -4.919 -2.841 1.00 0.00 N ATOM 367 CA SER A 36 14.079 -4.844 -2.847 1.00 0.00 C ATOM 368 C SER A 36 14.610 -4.306 -1.520 1.00 0.00 C ATOM 369 O SER A 36 15.643 -4.757 -1.025 1.00 0.00 O ATOM 370 CB SER A 36 14.559 -3.957 -3.997 1.00 0.00 C ATOM 371 OG SER A 36 13.976 -2.668 -3.924 1.00 0.00 O ATOM 0 H SER A 36 12.164 -4.258 -3.469 1.00 0.00 H new ATOM 0 HA SER A 36 14.466 -5.854 -2.986 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.645 -3.871 -3.965 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.304 -4.421 -4.950 1.00 0.00 H new ATOM 0 HG SER A 36 14.300 -2.120 -4.669 1.00 0.00 H new ATOM 377 N GLU A 37 13.903 -3.331 -0.958 1.00 0.00 N ATOM 378 CA GLU A 37 14.306 -2.717 0.303 1.00 0.00 C ATOM 379 C GLU A 37 14.196 -3.699 1.466 1.00 0.00 C ATOM 380 O GLU A 37 15.122 -3.834 2.265 1.00 0.00 O ATOM 381 CB GLU A 37 13.449 -1.482 0.585 1.00 0.00 C ATOM 382 CG GLU A 37 13.823 -0.276 -0.261 1.00 0.00 C ATOM 383 CD GLU A 37 15.171 0.306 0.117 1.00 0.00 C ATOM 384 OE1 GLU A 37 16.197 -0.364 -0.124 1.00 0.00 O ATOM 385 OE2 GLU A 37 15.200 1.433 0.656 1.00 0.00 O ATOM 0 H GLU A 37 13.046 -2.948 -1.357 1.00 0.00 H new ATOM 0 HA GLU A 37 15.351 -2.422 0.208 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.402 -1.729 0.409 1.00 0.00 H new ATOM 0 HB3 GLU A 37 13.541 -1.219 1.639 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.838 -0.565 -1.312 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.057 0.491 -0.152 1.00 0.00 H new ATOM 392 N LEU A 38 13.058 -4.377 1.560 1.00 0.00 N ATOM 393 CA LEU A 38 12.832 -5.339 2.635 1.00 0.00 C ATOM 394 C LEU A 38 13.408 -6.708 2.284 1.00 0.00 C ATOM 395 O LEU A 38 13.657 -7.529 3.167 1.00 0.00 O ATOM 396 CB LEU A 38 11.336 -5.465 2.928 1.00 0.00 C ATOM 397 CG LEU A 38 10.734 -4.311 3.733 1.00 0.00 C ATOM 398 CD1 LEU A 38 11.044 -2.978 3.069 1.00 0.00 C ATOM 399 CD2 LEU A 38 9.232 -4.496 3.886 1.00 0.00 C ATOM 0 H LEU A 38 12.279 -4.280 0.908 1.00 0.00 H new ATOM 0 HA LEU A 38 13.344 -4.971 3.524 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.801 -5.545 1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.165 -6.395 3.471 1.00 0.00 H new ATOM 0 HG LEU A 38 11.184 -4.312 4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 38 10.608 -2.169 3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.124 -2.843 3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.622 -2.965 2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.820 -3.667 4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.766 -4.521 2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.032 -5.433 4.406 1.00 0.00 H new ATOM 411 N GLY A 39 13.618 -6.950 0.994 1.00 0.00 N ATOM 412 CA GLY A 39 14.162 -8.222 0.561 1.00 0.00 C ATOM 413 C GLY A 39 13.148 -9.345 0.650 1.00 0.00 C ATOM 414 O GLY A 39 13.513 -10.508 0.821 1.00 0.00 O ATOM 0 H GLY A 39 13.421 -6.289 0.243 1.00 0.00 H new ATOM 0 HA2 GLY A 39 14.512 -8.133 -0.467 1.00 0.00 H new ATOM 0 HA3 GLY A 39 15.029 -8.470 1.173 1.00 0.00 H new ATOM 418 N LEU A 40 11.870 -8.997 0.531 1.00 0.00 N ATOM 419 CA LEU A 40 10.800 -9.986 0.596 1.00 0.00 C ATOM 420 C LEU A 40 10.179 -10.198 -0.778 1.00 0.00 C ATOM 421 O LEU A 40 10.360 -9.385 -1.685 1.00 0.00 O ATOM 422 CB LEU A 40 9.717 -9.557 1.593 1.00 0.00 C ATOM 423 CG LEU A 40 9.551 -8.048 1.776 1.00 0.00 C ATOM 424 CD1 LEU A 40 8.904 -7.434 0.546 1.00 0.00 C ATOM 425 CD2 LEU A 40 8.725 -7.753 3.019 1.00 0.00 C ATOM 0 H LEU A 40 11.551 -8.039 0.389 1.00 0.00 H new ATOM 0 HA LEU A 40 11.236 -10.925 0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.763 -9.973 1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.944 -10.000 2.563 1.00 0.00 H new ATOM 0 HG LEU A 40 10.537 -7.602 1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.793 -6.360 0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.532 -7.619 -0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.923 -7.882 0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.616 -6.675 3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.740 -8.209 2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.227 -8.164 3.895 1.00 0.00 H new ATOM 437 N ASN A 41 9.446 -11.294 -0.925 1.00 0.00 N ATOM 438 CA ASN A 41 8.796 -11.612 -2.188 1.00 0.00 C ATOM 439 C ASN A 41 7.430 -10.940 -2.277 1.00 0.00 C ATOM 440 O ASN A 41 6.782 -10.691 -1.260 1.00 0.00 O ATOM 441 CB ASN A 41 8.645 -13.127 -2.340 1.00 0.00 C ATOM 442 CG ASN A 41 8.920 -13.596 -3.755 1.00 0.00 C ATOM 443 OD1 ASN A 41 9.955 -14.203 -4.030 1.00 0.00 O ATOM 444 ND2 ASN A 41 7.992 -13.315 -4.662 1.00 0.00 N ATOM 0 H ASN A 41 9.287 -11.977 -0.185 1.00 0.00 H new ATOM 0 HA ASN A 41 9.421 -11.235 -2.998 1.00 0.00 H new ATOM 0 HB2 ASN A 41 9.329 -13.628 -1.655 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.635 -13.419 -2.053 1.00 0.00 H new ATOM 0 HD21 ASN A 41 8.122 -13.605 -5.631 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.149 -12.810 -4.389 1.00 0.00 H new ATOM 451 N GLU A 42 6.996 -10.655 -3.500 1.00 0.00 N ATOM 452 CA GLU A 42 5.703 -10.018 -3.728 1.00 0.00 C ATOM 453 C GLU A 42 4.595 -10.786 -3.019 1.00 0.00 C ATOM 454 O GLU A 42 3.584 -10.213 -2.614 1.00 0.00 O ATOM 455 CB GLU A 42 5.406 -9.961 -5.223 1.00 0.00 C ATOM 456 CG GLU A 42 6.447 -9.196 -6.024 1.00 0.00 C ATOM 457 CD GLU A 42 6.290 -9.391 -7.520 1.00 0.00 C ATOM 458 OE1 GLU A 42 6.015 -10.533 -7.944 1.00 0.00 O ATOM 459 OE2 GLU A 42 6.442 -8.401 -8.266 1.00 0.00 O ATOM 0 H GLU A 42 7.522 -10.855 -4.351 1.00 0.00 H new ATOM 0 HA GLU A 42 5.743 -9.006 -3.326 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.338 -10.978 -5.610 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.431 -9.497 -5.373 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.372 -8.134 -5.790 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.443 -9.520 -5.722 1.00 0.00 H new ATOM 466 N ALA A 43 4.797 -12.090 -2.866 1.00 0.00 N ATOM 467 CA ALA A 43 3.816 -12.936 -2.195 1.00 0.00 C ATOM 468 C ALA A 43 3.586 -12.428 -0.778 1.00 0.00 C ATOM 469 O ALA A 43 2.467 -12.459 -0.265 1.00 0.00 O ATOM 470 CB ALA A 43 4.283 -14.384 -2.176 1.00 0.00 C ATOM 0 H ALA A 43 5.627 -12.583 -3.196 1.00 0.00 H new ATOM 0 HA ALA A 43 2.875 -12.893 -2.744 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.538 -15.000 -1.672 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.414 -14.738 -3.199 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.232 -14.453 -1.644 1.00 0.00 H new ATOM 476 N GLN A 44 4.653 -11.922 -0.173 1.00 0.00 N ATOM 477 CA GLN A 44 4.583 -11.355 1.166 1.00 0.00 C ATOM 478 C GLN A 44 4.024 -9.940 1.083 1.00 0.00 C ATOM 479 O GLN A 44 3.402 -9.440 2.020 1.00 0.00 O ATOM 480 CB GLN A 44 5.973 -11.318 1.794 1.00 0.00 C ATOM 481 CG GLN A 44 6.520 -12.691 2.148 1.00 0.00 C ATOM 482 CD GLN A 44 5.787 -13.328 3.312 1.00 0.00 C ATOM 483 OE1 GLN A 44 5.308 -14.458 3.215 1.00 0.00 O ATOM 484 NE2 GLN A 44 5.696 -12.604 4.422 1.00 0.00 N ATOM 0 H GLN A 44 5.582 -11.893 -0.592 1.00 0.00 H new ATOM 0 HA GLN A 44 3.932 -11.974 1.784 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.661 -10.829 1.104 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.938 -10.707 2.696 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.447 -13.343 1.277 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.578 -12.604 2.394 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.108 -11.672 4.458 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.214 -12.980 5.238 1.00 0.00 H new ATOM 493 N ILE A 45 4.260 -9.311 -0.063 1.00 0.00 N ATOM 494 CA ILE A 45 3.801 -7.954 -0.322 1.00 0.00 C ATOM 495 C ILE A 45 2.274 -7.897 -0.367 1.00 0.00 C ATOM 496 O ILE A 45 1.668 -6.956 0.142 1.00 0.00 O ATOM 497 CB ILE A 45 4.393 -7.430 -1.653 1.00 0.00 C ATOM 498 CG1 ILE A 45 5.910 -7.261 -1.518 1.00 0.00 C ATOM 499 CG2 ILE A 45 3.746 -6.117 -2.081 1.00 0.00 C ATOM 500 CD1 ILE A 45 6.317 -6.086 -0.655 1.00 0.00 C ATOM 0 H ILE A 45 4.775 -9.729 -0.838 1.00 0.00 H new ATOM 0 HA ILE A 45 4.146 -7.317 0.492 1.00 0.00 H new ATOM 0 HB ILE A 45 4.180 -8.166 -2.429 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.332 -8.173 -1.097 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.343 -7.138 -2.511 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.189 -5.782 -3.019 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.675 -6.267 -2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.911 -5.362 -1.312 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.404 -6.030 -0.606 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.925 -5.165 -1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.915 -6.216 0.350 1.00 0.00 H new ATOM 512 N LYS A 46 1.653 -8.910 -0.964 1.00 0.00 N ATOM 513 CA LYS A 46 0.198 -8.961 -1.049 1.00 0.00 C ATOM 514 C LYS A 46 -0.403 -8.939 0.351 1.00 0.00 C ATOM 515 O LYS A 46 -1.283 -8.134 0.654 1.00 0.00 O ATOM 516 CB LYS A 46 -0.252 -10.218 -1.796 1.00 0.00 C ATOM 517 CG LYS A 46 -1.448 -9.990 -2.706 1.00 0.00 C ATOM 518 CD LYS A 46 -2.371 -11.198 -2.726 1.00 0.00 C ATOM 519 CE LYS A 46 -1.927 -12.223 -3.757 1.00 0.00 C ATOM 520 NZ LYS A 46 -2.015 -13.613 -3.231 1.00 0.00 N ATOM 0 H LYS A 46 2.131 -9.702 -1.393 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.151 -8.089 -1.601 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.580 -10.594 -2.391 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.501 -10.992 -1.070 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.001 -9.114 -2.369 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.102 -9.779 -3.718 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.390 -11.659 -1.738 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.389 -10.876 -2.947 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.547 -12.132 -4.649 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.901 -12.013 -4.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.704 -14.282 -3.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.404 -13.707 -2.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.999 -13.822 -2.967 1.00 0.00 H new ATOM 534 N ILE A 47 0.103 -9.821 1.204 1.00 0.00 N ATOM 535 CA ILE A 47 -0.350 -9.908 2.588 1.00 0.00 C ATOM 536 C ILE A 47 0.087 -8.670 3.358 1.00 0.00 C ATOM 537 O ILE A 47 -0.670 -8.101 4.144 1.00 0.00 O ATOM 538 CB ILE A 47 0.232 -11.166 3.275 1.00 0.00 C ATOM 539 CG1 ILE A 47 -0.745 -12.338 3.155 1.00 0.00 C ATOM 540 CG2 ILE A 47 0.570 -10.894 4.739 1.00 0.00 C ATOM 541 CD1 ILE A 47 -0.314 -13.383 2.149 1.00 0.00 C ATOM 0 H ILE A 47 0.832 -10.491 0.960 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.438 -9.975 2.587 1.00 0.00 H new ATOM 0 HB ILE A 47 1.159 -11.430 2.765 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.856 -12.809 4.132 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.726 -11.956 2.872 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.977 -11.798 5.193 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.308 -10.094 4.799 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.333 -10.596 5.272 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.053 -14.184 2.117 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.230 -12.926 1.163 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.652 -13.793 2.442 1.00 0.00 H new ATOM 553 N TRP A 48 1.328 -8.276 3.120 1.00 0.00 N ATOM 554 CA TRP A 48 1.923 -7.119 3.770 1.00 0.00 C ATOM 555 C TRP A 48 1.103 -5.872 3.486 1.00 0.00 C ATOM 556 O TRP A 48 0.733 -5.134 4.399 1.00 0.00 O ATOM 557 CB TRP A 48 3.356 -6.968 3.243 1.00 0.00 C ATOM 558 CG TRP A 48 4.140 -5.807 3.778 1.00 0.00 C ATOM 559 CD1 TRP A 48 5.207 -5.871 4.624 1.00 0.00 C ATOM 560 CD2 TRP A 48 3.960 -4.418 3.473 1.00 0.00 C ATOM 561 NE1 TRP A 48 5.697 -4.612 4.858 1.00 0.00 N ATOM 562 CE2 TRP A 48 4.948 -3.706 4.172 1.00 0.00 C ATOM 563 CE3 TRP A 48 3.062 -3.706 2.683 1.00 0.00 C ATOM 564 CZ2 TRP A 48 5.064 -2.323 4.102 1.00 0.00 C ATOM 565 CZ3 TRP A 48 3.176 -2.334 2.612 1.00 0.00 C ATOM 566 CH2 TRP A 48 4.170 -1.655 3.318 1.00 0.00 C ATOM 0 H TRP A 48 1.953 -8.751 2.469 1.00 0.00 H new ATOM 0 HA TRP A 48 1.939 -7.256 4.851 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.902 -7.884 3.469 1.00 0.00 H new ATOM 0 HB3 TRP A 48 3.314 -6.882 2.157 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.608 -6.780 5.048 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.496 -4.390 5.452 1.00 0.00 H new ATOM 0 HE3 TRP A 48 2.287 -4.221 2.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.833 -1.797 4.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.484 -1.775 1.999 1.00 0.00 H new ATOM 0 HH2 TRP A 48 4.233 -0.579 3.242 1.00 0.00 H new ATOM 577 N PHE A 49 0.814 -5.650 2.213 1.00 0.00 N ATOM 578 CA PHE A 49 0.024 -4.497 1.804 1.00 0.00 C ATOM 579 C PHE A 49 -1.419 -4.633 2.243 1.00 0.00 C ATOM 580 O PHE A 49 -2.026 -3.678 2.726 1.00 0.00 O ATOM 581 CB PHE A 49 0.139 -4.266 0.299 1.00 0.00 C ATOM 582 CG PHE A 49 1.320 -3.405 -0.015 1.00 0.00 C ATOM 583 CD1 PHE A 49 2.568 -3.970 -0.196 1.00 0.00 C ATOM 584 CD2 PHE A 49 1.193 -2.030 -0.067 1.00 0.00 C ATOM 585 CE1 PHE A 49 3.675 -3.180 -0.419 1.00 0.00 C ATOM 586 CE2 PHE A 49 2.297 -1.230 -0.304 1.00 0.00 C ATOM 587 CZ PHE A 49 3.543 -1.810 -0.475 1.00 0.00 C ATOM 0 H PHE A 49 1.114 -6.252 1.446 1.00 0.00 H new ATOM 0 HA PHE A 49 0.428 -3.617 2.304 1.00 0.00 H new ATOM 0 HB2 PHE A 49 0.233 -5.223 -0.215 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -0.771 -3.794 -0.072 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.677 -5.044 -0.162 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.224 -1.576 0.079 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.646 -3.635 -0.550 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.187 -0.157 -0.355 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.409 -1.190 -0.652 1.00 0.00 H new ATOM 597 N GLN A 50 -1.965 -5.826 2.077 1.00 0.00 N ATOM 598 CA GLN A 50 -3.337 -6.078 2.465 1.00 0.00 C ATOM 599 C GLN A 50 -3.493 -5.964 3.978 1.00 0.00 C ATOM 600 O GLN A 50 -4.551 -5.578 4.475 1.00 0.00 O ATOM 601 CB GLN A 50 -3.784 -7.462 1.990 1.00 0.00 C ATOM 602 CG GLN A 50 -4.110 -7.522 0.507 1.00 0.00 C ATOM 603 CD GLN A 50 -5.530 -7.981 0.238 1.00 0.00 C ATOM 604 OE1 GLN A 50 -6.437 -7.166 0.065 1.00 0.00 O ATOM 605 NE2 GLN A 50 -5.731 -9.293 0.203 1.00 0.00 N ATOM 0 H GLN A 50 -1.480 -6.630 1.678 1.00 0.00 H new ATOM 0 HA GLN A 50 -3.970 -5.327 1.992 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.997 -8.184 2.210 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.663 -7.766 2.559 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.962 -6.536 0.066 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.414 -8.200 0.013 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.951 -9.933 0.352 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.666 -9.661 0.027 1.00 0.00 H new ATOM 614 N ASN A 51 -2.430 -6.302 4.709 1.00 0.00 N ATOM 615 CA ASN A 51 -2.455 -6.233 6.166 1.00 0.00 C ATOM 616 C ASN A 51 -2.373 -4.786 6.642 1.00 0.00 C ATOM 617 O ASN A 51 -2.952 -4.425 7.666 1.00 0.00 O ATOM 618 CB ASN A 51 -1.300 -7.043 6.757 1.00 0.00 C ATOM 619 CG ASN A 51 -1.665 -8.498 6.972 1.00 0.00 C ATOM 620 OD1 ASN A 51 -2.834 -8.876 6.885 1.00 0.00 O ATOM 621 ND2 ASN A 51 -0.665 -9.325 7.255 1.00 0.00 N ATOM 0 H ASN A 51 -1.546 -6.625 4.316 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.399 -6.658 6.509 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.439 -6.982 6.091 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.000 -6.602 7.708 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.851 -10.316 7.410 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.289 -8.969 7.317 1.00 0.00 H new ATOM 628 N LYS A 52 -1.650 -3.962 5.890 1.00 0.00 N ATOM 629 CA LYS A 52 -1.493 -2.553 6.234 1.00 0.00 C ATOM 630 C LYS A 52 -2.794 -1.790 6.006 1.00 0.00 C ATOM 631 O LYS A 52 -3.093 -0.827 6.713 1.00 0.00 O ATOM 632 CB LYS A 52 -0.366 -1.928 5.407 1.00 0.00 C ATOM 633 CG LYS A 52 0.676 -1.206 6.246 1.00 0.00 C ATOM 634 CD LYS A 52 1.846 -2.116 6.583 1.00 0.00 C ATOM 635 CE LYS A 52 1.451 -3.179 7.595 1.00 0.00 C ATOM 636 NZ LYS A 52 2.515 -4.208 7.763 1.00 0.00 N ATOM 0 H LYS A 52 -1.164 -4.245 5.039 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.236 -2.487 7.291 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.125 -2.710 4.827 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.797 -1.225 4.694 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.038 -0.331 5.706 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.217 -0.845 7.167 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.210 -2.595 5.674 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.668 -1.521 6.981 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.247 -2.707 8.556 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.527 -3.661 7.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.207 -4.915 8.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.692 -4.676 6.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.389 -3.752 8.094 1.00 0.00 H new ATOM 650 N ARG A 53 -3.564 -2.228 5.015 1.00 0.00 N ATOM 651 CA ARG A 53 -4.835 -1.588 4.693 1.00 0.00 C ATOM 652 C ARG A 53 -5.942 -2.074 5.625 1.00 0.00 C ATOM 653 O ARG A 53 -6.899 -1.350 5.897 1.00 0.00 O ATOM 654 CB ARG A 53 -5.215 -1.867 3.237 1.00 0.00 C ATOM 655 CG ARG A 53 -4.925 -0.706 2.299 1.00 0.00 C ATOM 656 CD ARG A 53 -6.204 -0.024 1.841 1.00 0.00 C ATOM 657 NE ARG A 53 -7.051 -0.918 1.056 1.00 0.00 N ATOM 658 CZ ARG A 53 -8.348 -0.712 0.840 1.00 0.00 C ATOM 659 NH1 ARG A 53 -8.951 0.357 1.347 1.00 0.00 N ATOM 660 NH2 ARG A 53 -9.045 -1.576 0.115 1.00 0.00 N ATOM 0 H ARG A 53 -3.330 -3.023 4.421 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.718 -0.513 4.830 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.673 -2.747 2.891 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.277 -2.107 3.187 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.286 0.019 2.803 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.374 -1.068 1.431 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.758 0.329 2.711 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.953 0.854 1.245 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.623 -1.750 0.649 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.420 1.025 1.905 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.945 0.510 1.178 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.587 -2.399 -0.277 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.039 -1.418 -0.050 1.00 0.00 H new ATOM 674 N ALA A 54 -5.805 -3.304 6.109 1.00 0.00 N ATOM 675 CA ALA A 54 -6.794 -3.886 7.008 1.00 0.00 C ATOM 676 C ALA A 54 -6.775 -3.196 8.367 1.00 0.00 C ATOM 677 O ALA A 54 -7.718 -2.494 8.732 1.00 0.00 O ATOM 678 CB ALA A 54 -6.547 -5.379 7.168 1.00 0.00 C ATOM 0 H ALA A 54 -5.019 -3.917 5.894 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.780 -3.737 6.569 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.293 -5.801 7.842 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.620 -5.866 6.196 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.551 -5.541 7.581 1.00 0.00 H new ATOM 684 N LYS A 55 -5.695 -3.402 9.115 1.00 0.00 N ATOM 685 CA LYS A 55 -5.555 -2.801 10.436 1.00 0.00 C ATOM 686 C LYS A 55 -5.511 -1.279 10.341 1.00 0.00 C ATOM 687 O LYS A 55 -6.181 -0.580 11.101 1.00 0.00 O ATOM 688 CB LYS A 55 -4.289 -3.320 11.123 1.00 0.00 C ATOM 689 CG LYS A 55 -4.557 -4.422 12.135 1.00 0.00 C ATOM 690 CD LYS A 55 -5.545 -3.973 13.202 1.00 0.00 C ATOM 691 CE LYS A 55 -4.914 -3.975 14.585 1.00 0.00 C ATOM 692 NZ LYS A 55 -4.594 -5.353 15.048 1.00 0.00 N ATOM 0 H LYS A 55 -4.905 -3.980 8.829 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.424 -3.083 11.030 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.601 -3.693 10.365 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.791 -2.490 11.625 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.948 -5.301 11.622 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.621 -4.719 12.607 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.905 -2.971 12.967 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.413 -4.633 13.196 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.003 -3.377 14.569 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.593 -3.502 15.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.375 -5.336 16.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.411 -5.974 14.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.772 -5.714 14.523 1.00 0.00 H new ATOM 706 N ILE A 56 -4.716 -0.771 9.405 1.00 0.00 N ATOM 707 CA ILE A 56 -4.584 0.669 9.214 1.00 0.00 C ATOM 708 C ILE A 56 -3.954 1.329 10.435 1.00 0.00 C ATOM 709 O ILE A 56 -4.628 1.575 11.434 1.00 0.00 O ATOM 710 CB ILE A 56 -5.949 1.328 8.936 1.00 0.00 C ATOM 711 CG1 ILE A 56 -6.718 0.538 7.876 1.00 0.00 C ATOM 712 CG2 ILE A 56 -5.760 2.772 8.496 1.00 0.00 C ATOM 713 CD1 ILE A 56 -8.151 0.992 7.706 1.00 0.00 C ATOM 0 H ILE A 56 -4.154 -1.335 8.767 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.936 0.815 8.349 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.532 1.322 9.857 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -6.201 0.628 6.921 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.709 -0.518 8.144 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.733 3.224 8.303 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.251 3.328 9.283 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.161 2.800 7.586 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -8.635 0.388 6.939 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.684 0.875 8.650 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -8.168 2.040 7.407 1.00 0.00 H new ATOM 725 N LYS A 57 -2.655 1.609 10.345 1.00 0.00 N ATOM 726 CA LYS A 57 -1.915 2.241 11.437 1.00 0.00 C ATOM 727 C LYS A 57 -2.235 1.590 12.783 1.00 0.00 C ATOM 728 O LYS A 57 -2.888 0.549 12.842 1.00 0.00 O ATOM 729 CB LYS A 57 -2.203 3.750 11.480 1.00 0.00 C ATOM 730 CG LYS A 57 -3.455 4.139 12.259 1.00 0.00 C ATOM 731 CD LYS A 57 -4.391 4.999 11.423 1.00 0.00 C ATOM 732 CE LYS A 57 -5.823 4.917 11.927 1.00 0.00 C ATOM 733 NZ LYS A 57 -6.813 5.038 10.820 1.00 0.00 N ATOM 0 H LYS A 57 -2.089 1.406 9.521 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.852 2.095 11.247 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.345 4.257 11.921 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.299 4.117 10.458 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.978 3.239 12.581 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.169 4.681 13.160 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.054 6.035 11.448 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.351 4.676 10.383 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.971 3.969 12.444 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.996 5.708 12.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.672 5.506 11.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.403 5.602 10.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.055 4.091 10.466 1.00 0.00 H new ATOM 747 N LYS A 58 -1.767 2.213 13.859 1.00 0.00 N ATOM 748 CA LYS A 58 -2.000 1.697 15.203 1.00 0.00 C ATOM 749 C LYS A 58 -2.695 2.740 16.073 1.00 0.00 C ATOM 750 O LYS A 58 -3.612 2.420 16.829 1.00 0.00 O ATOM 751 CB LYS A 58 -0.678 1.276 15.847 1.00 0.00 C ATOM 752 CG LYS A 58 -0.777 -0.010 16.653 1.00 0.00 C ATOM 753 CD LYS A 58 0.494 -0.838 16.541 1.00 0.00 C ATOM 754 CE LYS A 58 0.184 -2.321 16.413 1.00 0.00 C ATOM 755 NZ LYS A 58 0.324 -2.798 15.009 1.00 0.00 N ATOM 0 H LYS A 58 -1.224 3.076 13.827 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.650 0.826 15.123 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.073 1.149 15.067 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.329 2.077 16.498 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.966 0.229 17.700 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.626 -0.596 16.302 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.068 -0.509 15.675 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.117 -0.670 17.419 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.854 -2.889 17.058 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.831 -2.511 16.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.104 -3.814 14.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.334 -2.274 14.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.299 -2.640 14.684 1.00 0.00 H new ATOM 769 N SER A 59 -2.251 3.989 15.962 1.00 0.00 N ATOM 770 CA SER A 59 -2.830 5.080 16.738 1.00 0.00 C ATOM 771 C SER A 59 -2.634 4.849 18.233 1.00 0.00 C ATOM 772 O SER A 59 -1.851 5.602 18.850 1.00 0.00 O ATOM 773 CB SER A 59 -4.320 5.226 16.422 1.00 0.00 C ATOM 774 OG SER A 59 -4.534 6.190 15.406 1.00 0.00 O ATOM 775 OXT SER A 59 -3.266 3.918 18.775 1.00 0.00 O ATOM 0 H SER A 59 -1.492 4.270 15.342 1.00 0.00 H new ATOM 0 HA SER A 59 -2.316 6.001 16.461 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.724 4.264 16.106 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.859 5.517 17.323 1.00 0.00 H new ATOM 0 HG SER A 59 -5.494 6.263 15.221 1.00 0.00 H new TER 781 SER A 59