USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 498 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 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0934 USER MOD Single : A 48 SER OG : rot 62:sc= 0.152 USER MOD Single : A 49 SER OG : rot 180:sc= 0.0731 USER MOD Single : A 50 ASN : amide:sc= -5.47 K(o=-5.5,f=-3.9) USER MOD Single : A 52 SER OG : rot 54:sc= 0.308 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.0261 X(o=-0.026,f=0) USER MOD Single : A 60 ASN : amide:sc= -1.44 K(o=-1.4,f=-6.4!) USER MOD Single : A 61 LYS NZ :NH3+ 151:sc= -0.284 (180deg=-1.11) USER MOD Single : A 68 ASN : amide:sc= -1.11 K(o=-1.1,f=-4.8!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 148:sc= -0.252 (180deg=-1.07) USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 82 SER OG : rot -34:sc= 0.778 USER MOD Single : B 83 THR OG1 : rot -39:sc= 1.15 USER MOD Single : B 84 LYS NZ :NH3+ -164:sc= -0.203 (180deg=-0.741) USER MOD ----------------------------------------------------------------- ATOM 50 N ARG A 19 -8.851 -5.294 2.830 1.00 0.00 N ATOM 51 CA ARG A 19 -7.813 -5.322 1.804 1.00 0.00 C ATOM 52 C ARG A 19 -7.738 -3.990 1.058 1.00 0.00 C ATOM 53 O ARG A 19 -7.950 -3.935 -0.152 1.00 0.00 O ATOM 54 CB ARG A 19 -8.075 -6.461 0.818 1.00 0.00 C ATOM 55 CG ARG A 19 -9.518 -6.536 0.345 1.00 0.00 C ATOM 56 CD ARG A 19 -9.890 -7.945 -0.087 1.00 0.00 C ATOM 57 NE ARG A 19 -9.912 -8.877 1.036 1.00 0.00 N ATOM 58 CZ ARG A 19 -9.805 -10.196 0.902 1.00 0.00 C ATOM 59 NH1 ARG A 19 -9.683 -10.735 -0.304 1.00 0.00 N ATOM 60 NH2 ARG A 19 -9.824 -10.977 1.973 1.00 0.00 N ATOM 0 HA ARG A 19 -6.856 -5.489 2.298 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.424 -6.338 -0.047 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.806 -7.407 1.288 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.182 -6.213 1.147 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.665 -5.848 -0.488 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.870 -7.930 -0.564 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.177 -8.295 -0.834 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.015 -8.495 1.976 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.671 -10.138 -1.131 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.601 -11.747 -0.405 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.921 -10.567 2.902 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.742 -11.988 1.868 1.00 0.00 H new ATOM 74 N TRP A 20 -7.444 -2.919 1.790 1.00 0.00 N ATOM 75 CA TRP A 20 -7.346 -1.587 1.206 1.00 0.00 C ATOM 76 C TRP A 20 -6.185 -0.821 1.816 1.00 0.00 C ATOM 77 O TRP A 20 -5.746 -1.125 2.922 1.00 0.00 O ATOM 78 CB TRP A 20 -8.652 -0.822 1.410 1.00 0.00 C ATOM 79 CG TRP A 20 -9.794 -1.465 0.702 1.00 0.00 C ATOM 80 CD1 TRP A 20 -10.524 -2.531 1.135 1.00 0.00 C ATOM 81 CD2 TRP A 20 -10.320 -1.098 -0.573 1.00 0.00 C ATOM 82 NE1 TRP A 20 -11.471 -2.860 0.195 1.00 0.00 N ATOM 83 CE2 TRP A 20 -11.366 -1.991 -0.864 1.00 0.00 C ATOM 84 CE3 TRP A 20 -10.007 -0.101 -1.501 1.00 0.00 C ATOM 85 CZ2 TRP A 20 -12.096 -1.917 -2.045 1.00 0.00 C ATOM 86 CZ3 TRP A 20 -10.736 -0.026 -2.671 1.00 0.00 C ATOM 87 CH2 TRP A 20 -11.770 -0.932 -2.935 1.00 0.00 C ATOM 0 H TRP A 20 -7.269 -2.950 2.794 1.00 0.00 H new ATOM 0 HA TRP A 20 -7.165 -1.692 0.136 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -8.874 -0.762 2.475 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -8.533 0.200 1.051 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.380 -3.041 2.076 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -12.142 -3.624 0.271 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -9.208 0.599 -1.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -12.894 -2.615 -2.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -10.505 0.743 -3.393 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -12.321 -0.851 -3.860 1.00 0.00 H new ATOM 98 N ALA A 21 -5.681 0.167 1.093 1.00 0.00 N ATOM 99 CA ALA A 21 -4.581 0.961 1.584 1.00 0.00 C ATOM 100 C ALA A 21 -4.926 2.436 1.512 1.00 0.00 C ATOM 101 O ALA A 21 -4.878 3.043 0.443 1.00 0.00 O ATOM 102 CB ALA A 21 -3.328 0.671 0.770 1.00 0.00 C ATOM 0 H ALA A 21 -6.019 0.433 0.168 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.393 0.699 2.625 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.502 1.274 1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.075 -0.386 0.856 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.509 0.917 -0.276 1.00 0.00 H new ATOM 108 N ARG A 22 -5.246 3.022 2.659 1.00 0.00 N ATOM 109 CA ARG A 22 -5.561 4.435 2.705 1.00 0.00 C ATOM 110 C ARG A 22 -4.419 5.172 3.371 1.00 0.00 C ATOM 111 O ARG A 22 -4.184 5.037 4.574 1.00 0.00 O ATOM 112 CB ARG A 22 -6.884 4.692 3.436 1.00 0.00 C ATOM 113 CG ARG A 22 -7.066 6.138 3.875 1.00 0.00 C ATOM 114 CD ARG A 22 -8.506 6.428 4.266 1.00 0.00 C ATOM 115 NE ARG A 22 -8.689 7.820 4.673 1.00 0.00 N ATOM 116 CZ ARG A 22 -9.594 8.632 4.139 1.00 0.00 C ATOM 117 NH1 ARG A 22 -10.405 8.195 3.185 1.00 0.00 N ATOM 118 NH2 ARG A 22 -9.692 9.886 4.560 1.00 0.00 N ATOM 0 H ARG A 22 -5.293 2.543 3.558 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.686 4.804 1.687 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.711 4.412 2.783 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.937 4.046 4.312 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.410 6.347 4.720 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.767 6.805 3.066 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.163 6.206 3.425 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.801 5.769 5.083 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.087 8.189 5.409 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.335 7.231 2.858 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.098 8.823 2.778 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.072 10.227 5.294 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.387 10.509 4.149 1.00 0.00 H new ATOM 132 N ALA A 23 -3.694 5.925 2.565 1.00 0.00 N ATOM 133 CA ALA A 23 -2.542 6.669 3.045 1.00 0.00 C ATOM 134 C ALA A 23 -2.937 7.941 3.775 1.00 0.00 C ATOM 135 O ALA A 23 -3.522 8.849 3.188 1.00 0.00 O ATOM 136 CB ALA A 23 -1.616 7.001 1.886 1.00 0.00 C ATOM 0 H ALA A 23 -3.883 6.039 1.569 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.023 6.033 3.761 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.756 7.559 2.256 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.276 6.078 1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.152 7.605 1.154 1.00 0.00 H new ATOM 142 N LEU A 24 -2.573 8.013 5.051 1.00 0.00 N ATOM 143 CA LEU A 24 -2.844 9.194 5.855 1.00 0.00 C ATOM 144 C LEU A 24 -1.738 10.206 5.599 1.00 0.00 C ATOM 145 O LEU A 24 -1.850 11.387 5.929 1.00 0.00 O ATOM 146 CB LEU A 24 -2.911 8.834 7.344 1.00 0.00 C ATOM 147 CG LEU A 24 -3.734 7.587 7.678 1.00 0.00 C ATOM 148 CD1 LEU A 24 -3.734 7.335 9.177 1.00 0.00 C ATOM 149 CD2 LEU A 24 -5.160 7.731 7.162 1.00 0.00 C ATOM 0 H LEU A 24 -2.089 7.266 5.549 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.809 9.617 5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.895 8.688 7.712 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.329 9.681 7.888 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.275 6.731 7.184 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.324 6.445 9.396 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.710 7.186 9.521 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.168 8.193 9.690 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.729 6.835 7.409 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.629 8.598 7.627 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.144 7.863 6.080 1.00 0.00 H new ATOM 161 N TYR A 25 -0.676 9.704 4.980 1.00 0.00 N ATOM 162 CA TYR A 25 0.489 10.498 4.620 1.00 0.00 C ATOM 163 C TYR A 25 0.905 10.150 3.195 1.00 0.00 C ATOM 164 O TYR A 25 0.290 9.293 2.562 1.00 0.00 O ATOM 165 CB TYR A 25 1.653 10.234 5.580 1.00 0.00 C ATOM 166 CG TYR A 25 1.229 9.943 7.002 1.00 0.00 C ATOM 167 CD1 TYR A 25 0.872 10.971 7.865 1.00 0.00 C ATOM 168 CD2 TYR A 25 1.192 8.640 7.482 1.00 0.00 C ATOM 169 CE1 TYR A 25 0.489 10.709 9.167 1.00 0.00 C ATOM 170 CE2 TYR A 25 0.811 8.369 8.783 1.00 0.00 C ATOM 171 CZ TYR A 25 0.460 9.407 9.620 1.00 0.00 C ATOM 172 OH TYR A 25 0.081 9.143 10.917 1.00 0.00 O ATOM 0 H TYR A 25 -0.600 8.723 4.712 1.00 0.00 H new ATOM 0 HA TYR A 25 0.230 11.555 4.687 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.234 9.391 5.206 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.313 11.101 5.580 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.894 11.992 7.513 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.465 7.825 6.828 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.214 11.519 9.826 1.00 0.00 H new ATOM 0 HE2 TYR A 25 0.788 7.351 9.142 1.00 0.00 H new ATOM 0 HH TYR A 25 0.113 8.177 11.077 1.00 0.00 H new ATOM 182 N ASP A 26 1.940 10.814 2.692 1.00 0.00 N ATOM 183 CA ASP A 26 2.424 10.558 1.337 1.00 0.00 C ATOM 184 C ASP A 26 2.761 9.077 1.138 1.00 0.00 C ATOM 185 O ASP A 26 2.488 8.243 2.001 1.00 0.00 O ATOM 186 CB ASP A 26 3.657 11.417 1.046 1.00 0.00 C ATOM 187 CG ASP A 26 3.641 11.994 -0.356 1.00 0.00 C ATOM 188 OD1 ASP A 26 2.738 12.804 -0.656 1.00 0.00 O ATOM 189 OD2 ASP A 26 4.531 11.634 -1.155 1.00 0.00 O ATOM 0 H ASP A 26 2.459 11.531 3.198 1.00 0.00 H new ATOM 0 HA ASP A 26 1.628 10.822 0.641 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.709 12.230 1.770 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.556 10.814 1.178 1.00 0.00 H new ATOM 194 N PHE A 27 3.341 8.753 -0.013 1.00 0.00 N ATOM 195 CA PHE A 27 3.695 7.366 -0.332 1.00 0.00 C ATOM 196 C PHE A 27 5.180 7.077 -0.110 1.00 0.00 C ATOM 197 O PHE A 27 6.032 7.946 -0.296 1.00 0.00 O ATOM 198 CB PHE A 27 3.343 7.060 -1.782 1.00 0.00 C ATOM 199 CG PHE A 27 4.273 7.704 -2.769 1.00 0.00 C ATOM 200 CD1 PHE A 27 4.062 9.004 -3.195 1.00 0.00 C ATOM 201 CD2 PHE A 27 5.358 7.006 -3.267 1.00 0.00 C ATOM 202 CE1 PHE A 27 4.918 9.598 -4.102 1.00 0.00 C ATOM 203 CE2 PHE A 27 6.219 7.593 -4.176 1.00 0.00 C ATOM 204 CZ PHE A 27 5.998 8.891 -4.594 1.00 0.00 C ATOM 0 H PHE A 27 3.577 9.427 -0.742 1.00 0.00 H new ATOM 0 HA PHE A 27 3.124 6.729 0.343 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.357 5.980 -1.932 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.325 7.396 -1.980 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.218 9.560 -2.814 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.535 5.991 -2.942 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.743 10.613 -4.426 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.063 7.038 -4.558 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.668 9.352 -5.304 1.00 0.00 H new ATOM 214 N GLU A 28 5.474 5.838 0.285 1.00 0.00 N ATOM 215 CA GLU A 28 6.849 5.408 0.531 1.00 0.00 C ATOM 216 C GLU A 28 7.392 4.590 -0.636 1.00 0.00 C ATOM 217 O GLU A 28 8.445 3.962 -0.520 1.00 0.00 O ATOM 218 CB GLU A 28 6.924 4.566 1.801 1.00 0.00 C ATOM 219 CG GLU A 28 6.337 5.250 3.021 1.00 0.00 C ATOM 220 CD GLU A 28 7.358 5.455 4.123 1.00 0.00 C ATOM 221 OE1 GLU A 28 7.617 4.493 4.879 1.00 0.00 O ATOM 222 OE2 GLU A 28 7.901 6.575 4.231 1.00 0.00 O ATOM 0 H GLU A 28 4.774 5.112 0.442 1.00 0.00 H new ATOM 0 HA GLU A 28 7.455 6.307 0.645 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.399 3.626 1.635 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.966 4.318 2.001 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.925 6.216 2.728 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.509 4.653 3.404 1.00 0.00 H new ATOM 229 N ALA A 29 6.670 4.585 -1.750 1.00 0.00 N ATOM 230 CA ALA A 29 7.099 3.822 -2.916 1.00 0.00 C ATOM 231 C ALA A 29 8.335 4.442 -3.555 1.00 0.00 C ATOM 232 O ALA A 29 8.248 5.450 -4.255 1.00 0.00 O ATOM 233 CB ALA A 29 5.970 3.725 -3.931 1.00 0.00 C ATOM 0 H ALA A 29 5.795 5.094 -1.871 1.00 0.00 H new ATOM 0 HA ALA A 29 7.360 2.817 -2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.306 3.153 -4.796 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.114 3.227 -3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.680 4.726 -4.249 1.00 0.00 H new ATOM 239 N LEU A 30 9.488 3.828 -3.312 1.00 0.00 N ATOM 240 CA LEU A 30 10.746 4.313 -3.867 1.00 0.00 C ATOM 241 C LEU A 30 11.203 3.424 -5.016 1.00 0.00 C ATOM 242 O LEU A 30 12.131 3.766 -5.747 1.00 0.00 O ATOM 243 CB LEU A 30 11.826 4.362 -2.783 1.00 0.00 C ATOM 244 CG LEU A 30 11.354 4.863 -1.417 1.00 0.00 C ATOM 245 CD1 LEU A 30 12.369 4.511 -0.340 1.00 0.00 C ATOM 246 CD2 LEU A 30 11.116 6.365 -1.455 1.00 0.00 C ATOM 0 H LEU A 30 9.577 2.993 -2.734 1.00 0.00 H new ATOM 0 HA LEU A 30 10.583 5.321 -4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.242 3.362 -2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.636 5.005 -3.128 1.00 0.00 H new ATOM 0 HG LEU A 30 10.412 4.370 -1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.017 4.875 0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.493 3.429 -0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.326 4.976 -0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.781 6.705 -0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.043 6.874 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.353 6.594 -2.199 1.00 0.00 H new ATOM 258 N GLU A 31 10.543 2.280 -5.166 1.00 0.00 N ATOM 259 CA GLU A 31 10.882 1.339 -6.229 1.00 0.00 C ATOM 260 C GLU A 31 9.865 1.404 -7.364 1.00 0.00 C ATOM 261 O GLU A 31 8.702 1.745 -7.150 1.00 0.00 O ATOM 262 CB GLU A 31 10.957 -0.085 -5.676 1.00 0.00 C ATOM 263 CG GLU A 31 12.236 -0.817 -6.051 1.00 0.00 C ATOM 264 CD GLU A 31 11.988 -2.255 -6.463 1.00 0.00 C ATOM 265 OE1 GLU A 31 10.898 -2.784 -6.155 1.00 0.00 O ATOM 266 OE2 GLU A 31 12.883 -2.855 -7.096 1.00 0.00 O ATOM 0 H GLU A 31 9.773 1.982 -4.567 1.00 0.00 H new ATOM 0 HA GLU A 31 11.858 1.619 -6.626 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.874 -0.049 -4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.102 -0.654 -6.042 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.726 -0.288 -6.869 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.922 -0.799 -5.204 1.00 0.00 H new ATOM 273 N GLU A 32 10.314 1.072 -8.572 1.00 0.00 N ATOM 274 CA GLU A 32 9.444 1.091 -9.743 1.00 0.00 C ATOM 275 C GLU A 32 8.437 -0.053 -9.688 1.00 0.00 C ATOM 276 O GLU A 32 7.392 -0.005 -10.337 1.00 0.00 O ATOM 277 CB GLU A 32 10.277 1.000 -11.024 1.00 0.00 C ATOM 278 CG GLU A 32 10.911 -0.364 -11.247 1.00 0.00 C ATOM 279 CD GLU A 32 12.363 -0.410 -10.811 1.00 0.00 C ATOM 280 OE1 GLU A 32 13.019 0.654 -10.809 1.00 0.00 O ATOM 281 OE2 GLU A 32 12.846 -1.512 -10.473 1.00 0.00 O ATOM 0 H GLU A 32 11.274 0.787 -8.765 1.00 0.00 H new ATOM 0 HA GLU A 32 8.894 2.032 -9.745 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.642 1.239 -11.877 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.063 1.755 -10.990 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.346 -1.117 -10.698 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.844 -0.623 -12.304 1.00 0.00 H new ATOM 288 N ASP A 33 8.759 -1.080 -8.906 1.00 0.00 N ATOM 289 CA ASP A 33 7.882 -2.237 -8.762 1.00 0.00 C ATOM 290 C ASP A 33 6.817 -1.981 -7.703 1.00 0.00 C ATOM 291 O ASP A 33 6.078 -2.887 -7.323 1.00 0.00 O ATOM 292 CB ASP A 33 8.695 -3.478 -8.384 1.00 0.00 C ATOM 293 CG ASP A 33 8.780 -4.483 -9.516 1.00 0.00 C ATOM 294 OD1 ASP A 33 8.255 -4.193 -10.612 1.00 0.00 O ATOM 295 OD2 ASP A 33 9.372 -5.563 -9.306 1.00 0.00 O ATOM 0 H ASP A 33 9.621 -1.134 -8.363 1.00 0.00 H new ATOM 0 HA ASP A 33 7.390 -2.408 -9.720 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.701 -3.175 -8.095 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.243 -3.953 -7.514 1.00 0.00 H new ATOM 300 N GLU A 34 6.749 -0.742 -7.228 1.00 0.00 N ATOM 301 CA GLU A 34 5.780 -0.371 -6.208 1.00 0.00 C ATOM 302 C GLU A 34 4.790 0.659 -6.740 1.00 0.00 C ATOM 303 O GLU A 34 4.828 1.029 -7.913 1.00 0.00 O ATOM 304 CB GLU A 34 6.496 0.179 -4.973 1.00 0.00 C ATOM 305 CG GLU A 34 7.435 -0.823 -4.321 1.00 0.00 C ATOM 306 CD GLU A 34 8.496 -0.163 -3.461 1.00 0.00 C ATOM 307 OE1 GLU A 34 8.422 1.066 -3.262 1.00 0.00 O ATOM 308 OE2 GLU A 34 9.402 -0.880 -2.986 1.00 0.00 O ATOM 0 H GLU A 34 7.354 0.020 -7.534 1.00 0.00 H new ATOM 0 HA GLU A 34 5.224 -1.266 -5.929 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.063 1.066 -5.256 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.752 0.496 -4.243 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.854 -1.512 -3.708 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.920 -1.417 -5.096 1.00 0.00 H new ATOM 315 N LEU A 35 3.908 1.117 -5.861 1.00 0.00 N ATOM 316 CA LEU A 35 2.903 2.107 -6.222 1.00 0.00 C ATOM 317 C LEU A 35 2.926 3.266 -5.234 1.00 0.00 C ATOM 318 O LEU A 35 3.079 3.061 -4.029 1.00 0.00 O ATOM 319 CB LEU A 35 1.516 1.462 -6.252 1.00 0.00 C ATOM 320 CG LEU A 35 0.339 2.436 -6.164 1.00 0.00 C ATOM 321 CD1 LEU A 35 -0.115 2.856 -7.553 1.00 0.00 C ATOM 322 CD2 LEU A 35 -0.810 1.807 -5.391 1.00 0.00 C ATOM 0 H LEU A 35 3.869 0.816 -4.887 1.00 0.00 H new ATOM 0 HA LEU A 35 3.131 2.493 -7.216 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.421 0.886 -7.172 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.444 0.756 -5.425 1.00 0.00 H new ATOM 0 HG LEU A 35 0.667 3.328 -5.631 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.953 3.548 -7.468 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.709 3.345 -8.073 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.427 1.976 -8.115 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.640 2.511 -5.336 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.137 0.900 -5.899 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.478 1.559 -4.383 1.00 0.00 H new ATOM 334 N GLY A 36 2.790 4.481 -5.747 1.00 0.00 N ATOM 335 CA GLY A 36 2.819 5.647 -4.892 1.00 0.00 C ATOM 336 C GLY A 36 1.494 6.379 -4.806 1.00 0.00 C ATOM 337 O GLY A 36 0.939 6.805 -5.819 1.00 0.00 O ATOM 0 H GLY A 36 2.660 4.678 -6.739 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.121 5.343 -3.890 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.580 6.336 -5.259 1.00 0.00 H new ATOM 341 N PHE A 37 1.005 6.541 -3.580 1.00 0.00 N ATOM 342 CA PHE A 37 -0.244 7.246 -3.327 1.00 0.00 C ATOM 343 C PHE A 37 0.030 8.530 -2.553 1.00 0.00 C ATOM 344 O PHE A 37 1.181 8.893 -2.322 1.00 0.00 O ATOM 345 CB PHE A 37 -1.213 6.367 -2.533 1.00 0.00 C ATOM 346 CG PHE A 37 -0.535 5.404 -1.598 1.00 0.00 C ATOM 347 CD1 PHE A 37 0.352 5.860 -0.634 1.00 0.00 C ATOM 348 CD2 PHE A 37 -0.785 4.045 -1.682 1.00 0.00 C ATOM 349 CE1 PHE A 37 0.976 4.978 0.226 1.00 0.00 C ATOM 350 CE2 PHE A 37 -0.164 3.159 -0.824 1.00 0.00 C ATOM 351 CZ PHE A 37 0.718 3.625 0.130 1.00 0.00 C ATOM 0 H PHE A 37 1.462 6.189 -2.739 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.699 7.489 -4.287 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.881 7.008 -1.957 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.833 5.805 -3.231 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.557 6.917 -0.555 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.473 3.674 -2.427 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.665 5.346 0.972 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.368 2.101 -0.899 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.205 2.932 0.800 1.00 0.00 H new ATOM 361 N ARG A 38 -1.027 9.220 -2.157 1.00 0.00 N ATOM 362 CA ARG A 38 -0.882 10.460 -1.411 1.00 0.00 C ATOM 363 C ARG A 38 -1.756 10.465 -0.162 1.00 0.00 C ATOM 364 O ARG A 38 -2.459 9.495 0.121 1.00 0.00 O ATOM 365 CB ARG A 38 -1.223 11.638 -2.310 1.00 0.00 C ATOM 366 CG ARG A 38 -0.009 12.242 -2.985 1.00 0.00 C ATOM 367 CD ARG A 38 -0.398 13.278 -4.028 1.00 0.00 C ATOM 368 NE ARG A 38 -1.417 14.200 -3.533 1.00 0.00 N ATOM 369 CZ ARG A 38 -1.188 15.127 -2.606 1.00 0.00 C ATOM 370 NH1 ARG A 38 0.022 15.258 -2.079 1.00 0.00 N ATOM 371 NH2 ARG A 38 -2.169 15.924 -2.208 1.00 0.00 N ATOM 0 H ARG A 38 -1.992 8.944 -2.339 1.00 0.00 H new ATOM 0 HA ARG A 38 0.154 10.546 -1.082 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.931 11.312 -3.072 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.722 12.406 -1.719 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.631 12.705 -2.234 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.574 11.452 -3.458 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.486 13.842 -4.326 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.769 12.773 -4.920 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.358 14.129 -3.920 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.780 14.647 -2.384 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.195 15.969 -1.369 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.100 15.827 -2.612 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.993 16.634 -1.497 1.00 0.00 H new ATOM 385 N SER A 39 -1.701 11.563 0.586 1.00 0.00 N ATOM 386 CA SER A 39 -2.485 11.699 1.810 1.00 0.00 C ATOM 387 C SER A 39 -3.980 11.605 1.519 1.00 0.00 C ATOM 388 O SER A 39 -4.448 12.047 0.470 1.00 0.00 O ATOM 389 CB SER A 39 -2.169 13.030 2.496 1.00 0.00 C ATOM 390 OG SER A 39 -1.508 13.918 1.611 1.00 0.00 O ATOM 0 H SER A 39 -1.121 12.373 0.366 1.00 0.00 H new ATOM 0 HA SER A 39 -2.214 10.880 2.476 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.092 13.487 2.852 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.544 12.852 3.371 1.00 0.00 H new ATOM 0 HG SER A 39 -1.319 14.761 2.074 1.00 0.00 H new ATOM 396 N GLY A 40 -4.722 11.026 2.460 1.00 0.00 N ATOM 397 CA GLY A 40 -6.158 10.877 2.301 1.00 0.00 C ATOM 398 C GLY A 40 -6.541 10.203 0.996 1.00 0.00 C ATOM 399 O GLY A 40 -7.514 10.596 0.352 1.00 0.00 O ATOM 0 H GLY A 40 -4.351 10.655 3.335 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.552 10.295 3.134 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.628 11.860 2.348 1.00 0.00 H new ATOM 403 N GLU A 41 -5.779 9.185 0.606 1.00 0.00 N ATOM 404 CA GLU A 41 -6.054 8.459 -0.630 1.00 0.00 C ATOM 405 C GLU A 41 -6.522 7.040 -0.337 1.00 0.00 C ATOM 406 O GLU A 41 -6.197 6.472 0.703 1.00 0.00 O ATOM 407 CB GLU A 41 -4.807 8.425 -1.516 1.00 0.00 C ATOM 408 CG GLU A 41 -4.480 9.759 -2.172 1.00 0.00 C ATOM 409 CD GLU A 41 -5.668 10.358 -2.902 1.00 0.00 C ATOM 410 OE1 GLU A 41 -6.416 9.594 -3.549 1.00 0.00 O ATOM 411 OE2 GLU A 41 -5.850 11.590 -2.825 1.00 0.00 O ATOM 0 H GLU A 41 -4.970 8.845 1.125 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.852 8.982 -1.157 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.955 8.108 -0.915 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.946 7.673 -2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.136 10.459 -1.411 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.658 9.622 -2.875 1.00 0.00 H new ATOM 418 N VAL A 42 -7.290 6.471 -1.263 1.00 0.00 N ATOM 419 CA VAL A 42 -7.805 5.115 -1.103 1.00 0.00 C ATOM 420 C VAL A 42 -7.247 4.186 -2.176 1.00 0.00 C ATOM 421 O VAL A 42 -7.253 4.515 -3.362 1.00 0.00 O ATOM 422 CB VAL A 42 -9.346 5.076 -1.161 1.00 0.00 C ATOM 423 CG1 VAL A 42 -9.892 4.126 -0.105 1.00 0.00 C ATOM 424 CG2 VAL A 42 -9.930 6.470 -0.986 1.00 0.00 C ATOM 0 H VAL A 42 -7.569 6.928 -2.131 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.481 4.774 -0.120 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.643 4.708 -2.143 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.981 4.109 -0.158 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.505 3.123 -0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.582 4.464 0.884 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.018 6.417 -1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.626 6.873 -0.020 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.566 7.120 -1.782 1.00 0.00 H new ATOM 434 N VAL A 43 -6.763 3.024 -1.748 1.00 0.00 N ATOM 435 CA VAL A 43 -6.197 2.042 -2.666 1.00 0.00 C ATOM 436 C VAL A 43 -6.793 0.658 -2.424 1.00 0.00 C ATOM 437 O VAL A 43 -7.075 0.285 -1.288 1.00 0.00 O ATOM 438 CB VAL A 43 -4.664 1.965 -2.521 1.00 0.00 C ATOM 439 CG1 VAL A 43 -4.075 0.994 -3.534 1.00 0.00 C ATOM 440 CG2 VAL A 43 -4.043 3.344 -2.673 1.00 0.00 C ATOM 0 H VAL A 43 -6.752 2.739 -0.769 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.444 2.367 -3.677 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.433 1.594 -1.522 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.992 0.955 -3.414 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.494 0.001 -3.372 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.316 1.330 -4.543 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.961 3.269 -2.568 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.285 3.745 -3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.438 4.008 -1.903 1.00 0.00 H new ATOM 450 N GLU A 44 -6.982 -0.098 -3.499 1.00 0.00 N ATOM 451 CA GLU A 44 -7.540 -1.444 -3.400 1.00 0.00 C ATOM 452 C GLU A 44 -6.425 -2.485 -3.339 1.00 0.00 C ATOM 453 O GLU A 44 -5.680 -2.665 -4.303 1.00 0.00 O ATOM 454 CB GLU A 44 -8.451 -1.727 -4.595 1.00 0.00 C ATOM 455 CG GLU A 44 -9.130 -3.085 -4.534 1.00 0.00 C ATOM 456 CD GLU A 44 -9.013 -3.853 -5.837 1.00 0.00 C ATOM 457 OE1 GLU A 44 -9.528 -3.361 -6.863 1.00 0.00 O ATOM 458 OE2 GLU A 44 -8.405 -4.943 -5.831 1.00 0.00 O ATOM 0 H GLU A 44 -6.758 0.197 -4.449 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.126 -1.506 -2.483 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.214 -0.951 -4.651 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.864 -1.664 -5.511 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.688 -3.672 -3.729 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.184 -2.950 -4.289 1.00 0.00 H new ATOM 465 N VAL A 45 -6.317 -3.174 -2.205 1.00 0.00 N ATOM 466 CA VAL A 45 -5.292 -4.200 -2.035 1.00 0.00 C ATOM 467 C VAL A 45 -5.726 -5.495 -2.708 1.00 0.00 C ATOM 468 O VAL A 45 -6.887 -5.895 -2.616 1.00 0.00 O ATOM 469 CB VAL A 45 -4.990 -4.472 -0.549 1.00 0.00 C ATOM 470 CG1 VAL A 45 -3.950 -5.572 -0.404 1.00 0.00 C ATOM 471 CG2 VAL A 45 -4.523 -3.201 0.143 1.00 0.00 C ATOM 0 H VAL A 45 -6.923 -3.041 -1.395 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.381 -3.826 -2.503 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.910 -4.807 -0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.752 -5.748 0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.324 -6.489 -0.861 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.028 -5.269 -0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.315 -3.413 1.192 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.617 -2.835 -0.340 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.302 -2.442 0.074 1.00 0.00 H new ATOM 481 N LEU A 46 -4.794 -6.136 -3.406 1.00 0.00 N ATOM 482 CA LEU A 46 -5.094 -7.370 -4.118 1.00 0.00 C ATOM 483 C LEU A 46 -4.441 -8.590 -3.465 1.00 0.00 C ATOM 484 O LEU A 46 -4.606 -9.712 -3.944 1.00 0.00 O ATOM 485 CB LEU A 46 -4.634 -7.252 -5.573 1.00 0.00 C ATOM 486 CG LEU A 46 -5.755 -7.058 -6.596 1.00 0.00 C ATOM 487 CD1 LEU A 46 -5.176 -6.777 -7.973 1.00 0.00 C ATOM 488 CD2 LEU A 46 -6.659 -8.282 -6.637 1.00 0.00 C ATOM 0 H LEU A 46 -3.828 -5.821 -3.493 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.173 -7.517 -4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.942 -6.413 -5.652 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.076 -8.151 -5.835 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.353 -6.199 -6.292 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.987 -6.642 -8.688 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.571 -5.871 -7.935 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.554 -7.616 -8.284 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.450 -8.126 -7.370 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.073 -9.158 -6.917 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.102 -8.440 -5.654 1.00 0.00 H new ATOM 500 N ASP A 47 -3.697 -8.376 -2.382 1.00 0.00 N ATOM 501 CA ASP A 47 -3.032 -9.484 -1.702 1.00 0.00 C ATOM 502 C ASP A 47 -3.004 -9.300 -0.190 1.00 0.00 C ATOM 503 O ASP A 47 -3.527 -10.127 0.558 1.00 0.00 O ATOM 504 CB ASP A 47 -1.607 -9.645 -2.230 1.00 0.00 C ATOM 505 CG ASP A 47 -1.479 -10.804 -3.199 1.00 0.00 C ATOM 506 OD1 ASP A 47 -1.209 -11.934 -2.740 1.00 0.00 O ATOM 507 OD2 ASP A 47 -1.651 -10.581 -4.416 1.00 0.00 O ATOM 0 H ASP A 47 -3.541 -7.460 -1.962 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.608 -10.385 -1.913 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.300 -8.724 -2.726 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.927 -9.798 -1.392 1.00 0.00 H new ATOM 512 N SER A 48 -2.367 -8.223 0.241 1.00 0.00 N ATOM 513 CA SER A 48 -2.222 -7.901 1.666 1.00 0.00 C ATOM 514 C SER A 48 -1.505 -9.003 2.420 1.00 0.00 C ATOM 515 O SER A 48 -1.238 -8.862 3.615 1.00 0.00 O ATOM 516 CB SER A 48 -3.567 -7.596 2.336 1.00 0.00 C ATOM 517 OG SER A 48 -4.649 -8.216 1.663 1.00 0.00 O ATOM 0 H SER A 48 -1.933 -7.542 -0.382 1.00 0.00 H new ATOM 0 HA SER A 48 -1.614 -6.997 1.710 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.541 -7.936 3.371 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.724 -6.518 2.359 1.00 0.00 H new ATOM 0 HG SER A 48 -4.537 -9.189 1.690 1.00 0.00 H new ATOM 523 N SER A 49 -1.153 -10.086 1.737 1.00 0.00 N ATOM 524 CA SER A 49 -0.430 -11.140 2.408 1.00 0.00 C ATOM 525 C SER A 49 1.036 -10.751 2.448 1.00 0.00 C ATOM 526 O SER A 49 1.685 -10.652 1.409 1.00 0.00 O ATOM 527 CB SER A 49 -0.612 -12.473 1.677 1.00 0.00 C ATOM 528 OG SER A 49 -0.988 -12.268 0.326 1.00 0.00 O ATOM 0 H SER A 49 -1.352 -10.249 0.750 1.00 0.00 H new ATOM 0 HA SER A 49 -0.813 -11.268 3.420 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.317 -13.043 1.717 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.373 -13.068 2.183 1.00 0.00 H new ATOM 0 HG SER A 49 -1.096 -13.135 -0.119 1.00 0.00 H new ATOM 534 N ASN A 50 1.525 -10.522 3.661 1.00 0.00 N ATOM 535 CA ASN A 50 2.905 -10.111 3.913 1.00 0.00 C ATOM 536 C ASN A 50 2.989 -9.494 5.308 1.00 0.00 C ATOM 537 O ASN A 50 1.967 -9.104 5.873 1.00 0.00 O ATOM 538 CB ASN A 50 3.352 -9.079 2.882 1.00 0.00 C ATOM 539 CG ASN A 50 4.185 -9.665 1.762 1.00 0.00 C ATOM 540 OD1 ASN A 50 5.150 -10.393 1.996 1.00 0.00 O ATOM 541 ND2 ASN A 50 3.807 -9.341 0.530 1.00 0.00 N ATOM 0 H ASN A 50 0.968 -10.617 4.510 1.00 0.00 H new ATOM 0 HA ASN A 50 3.555 -10.983 3.842 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.472 -8.598 2.456 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.928 -8.302 3.384 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.324 -9.699 -0.273 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.000 -8.734 0.387 1.00 0.00 H new ATOM 548 N PRO A 51 4.192 -9.398 5.896 1.00 0.00 N ATOM 549 CA PRO A 51 4.361 -8.836 7.227 1.00 0.00 C ATOM 550 C PRO A 51 4.661 -7.338 7.225 1.00 0.00 C ATOM 551 O PRO A 51 4.951 -6.763 8.276 1.00 0.00 O ATOM 552 CB PRO A 51 5.557 -9.621 7.748 1.00 0.00 C ATOM 553 CG PRO A 51 6.402 -9.871 6.537 1.00 0.00 C ATOM 554 CD PRO A 51 5.479 -9.844 5.337 1.00 0.00 C ATOM 0 HA PRO A 51 3.455 -8.918 7.828 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.104 -9.056 8.503 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.245 -10.556 8.214 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.177 -9.110 6.444 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.908 -10.834 6.612 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.841 -9.160 4.569 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.395 -10.827 4.874 1.00 0.00 H new ATOM 562 N SER A 52 4.593 -6.700 6.056 1.00 0.00 N ATOM 563 CA SER A 52 4.866 -5.266 5.968 1.00 0.00 C ATOM 564 C SER A 52 4.521 -4.693 4.595 1.00 0.00 C ATOM 565 O SER A 52 3.730 -3.759 4.491 1.00 0.00 O ATOM 566 CB SER A 52 6.334 -4.993 6.287 1.00 0.00 C ATOM 567 OG SER A 52 6.478 -4.406 7.569 1.00 0.00 O ATOM 0 H SER A 52 4.355 -7.145 5.170 1.00 0.00 H new ATOM 0 HA SER A 52 4.228 -4.770 6.700 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.898 -5.925 6.245 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.756 -4.331 5.531 1.00 0.00 H new ATOM 0 HG SER A 52 6.032 -4.967 8.237 1.00 0.00 H new ATOM 573 N TRP A 53 5.126 -5.238 3.546 1.00 0.00 N ATOM 574 CA TRP A 53 4.877 -4.749 2.192 1.00 0.00 C ATOM 575 C TRP A 53 3.827 -5.597 1.484 1.00 0.00 C ATOM 576 O TRP A 53 4.060 -6.766 1.186 1.00 0.00 O ATOM 577 CB TRP A 53 6.173 -4.758 1.379 1.00 0.00 C ATOM 578 CG TRP A 53 6.998 -3.520 1.549 1.00 0.00 C ATOM 579 CD1 TRP A 53 7.950 -3.295 2.499 1.00 0.00 C ATOM 580 CD2 TRP A 53 6.945 -2.335 0.745 1.00 0.00 C ATOM 581 NE1 TRP A 53 8.494 -2.045 2.337 1.00 0.00 N ATOM 582 CE2 TRP A 53 7.893 -1.435 1.266 1.00 0.00 C ATOM 583 CE3 TRP A 53 6.189 -1.948 -0.365 1.00 0.00 C ATOM 584 CZ2 TRP A 53 8.105 -0.173 0.716 1.00 0.00 C ATOM 585 CZ3 TRP A 53 6.401 -0.695 -0.910 1.00 0.00 C ATOM 586 CH2 TRP A 53 7.352 0.178 -0.370 1.00 0.00 C ATOM 0 H TRP A 53 5.787 -6.012 3.604 1.00 0.00 H new ATOM 0 HA TRP A 53 4.503 -3.728 2.271 1.00 0.00 H new ATOM 0 HB2 TRP A 53 6.768 -5.624 1.670 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.929 -4.879 0.324 1.00 0.00 H new ATOM 0 HD1 TRP A 53 8.235 -3.998 3.268 1.00 0.00 H new ATOM 0 HE1 TRP A 53 9.226 -1.637 2.918 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.453 -2.615 -0.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 8.837 0.503 1.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.822 -0.385 -1.768 1.00 0.00 H new ATOM 0 HH2 TRP A 53 7.494 1.149 -0.820 1.00 0.00 H new ATOM 597 N TRP A 54 2.673 -4.995 1.207 1.00 0.00 N ATOM 598 CA TRP A 54 1.596 -5.700 0.522 1.00 0.00 C ATOM 599 C TRP A 54 1.488 -5.259 -0.932 1.00 0.00 C ATOM 600 O TRP A 54 1.704 -4.091 -1.254 1.00 0.00 O ATOM 601 CB TRP A 54 0.248 -5.452 1.203 1.00 0.00 C ATOM 602 CG TRP A 54 0.194 -5.813 2.655 1.00 0.00 C ATOM 603 CD1 TRP A 54 1.039 -6.637 3.331 1.00 0.00 C ATOM 604 CD2 TRP A 54 -0.782 -5.371 3.606 1.00 0.00 C ATOM 605 NE1 TRP A 54 0.642 -6.750 4.640 1.00 0.00 N ATOM 606 CE2 TRP A 54 -0.468 -5.975 4.836 1.00 0.00 C ATOM 607 CE3 TRP A 54 -1.890 -4.523 3.536 1.00 0.00 C ATOM 608 CZ2 TRP A 54 -1.224 -5.760 5.986 1.00 0.00 C ATOM 609 CZ3 TRP A 54 -2.639 -4.308 4.678 1.00 0.00 C ATOM 610 CH2 TRP A 54 -2.303 -4.923 5.889 1.00 0.00 C ATOM 0 H TRP A 54 2.461 -4.026 1.445 1.00 0.00 H new ATOM 0 HA TRP A 54 1.838 -6.762 0.567 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.006 -4.397 1.097 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.518 -6.019 0.675 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.898 -7.131 2.900 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.100 -7.320 5.351 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.157 -4.044 2.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.968 -6.237 6.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.498 -3.654 4.635 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.907 -4.734 6.764 1.00 0.00 H new ATOM 621 N THR A 55 1.127 -6.197 -1.801 1.00 0.00 N ATOM 622 CA THR A 55 0.961 -5.899 -3.215 1.00 0.00 C ATOM 623 C THR A 55 -0.460 -5.412 -3.491 1.00 0.00 C ATOM 624 O THR A 55 -1.424 -6.155 -3.310 1.00 0.00 O ATOM 625 CB THR A 55 1.247 -7.136 -4.088 1.00 0.00 C ATOM 626 OG1 THR A 55 2.482 -7.744 -3.691 1.00 0.00 O ATOM 627 CG2 THR A 55 1.313 -6.756 -5.560 1.00 0.00 C ATOM 0 H THR A 55 0.944 -7.168 -1.549 1.00 0.00 H new ATOM 0 HA THR A 55 1.677 -5.117 -3.470 1.00 0.00 H new ATOM 0 HB THR A 55 0.433 -7.847 -3.948 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.654 -8.530 -4.250 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.516 -7.645 -6.157 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.361 -6.323 -5.867 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.109 -6.027 -5.712 1.00 0.00 H new ATOM 635 N GLY A 56 -0.579 -4.163 -3.929 1.00 0.00 N ATOM 636 CA GLY A 56 -1.885 -3.598 -4.222 1.00 0.00 C ATOM 637 C GLY A 56 -1.866 -2.737 -5.469 1.00 0.00 C ATOM 638 O GLY A 56 -0.868 -2.707 -6.184 1.00 0.00 O ATOM 0 H GLY A 56 0.206 -3.531 -4.087 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.608 -4.404 -4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.220 -3.000 -3.374 1.00 0.00 H new ATOM 642 N ARG A 57 -2.966 -2.040 -5.741 1.00 0.00 N ATOM 643 CA ARG A 57 -3.041 -1.188 -6.924 1.00 0.00 C ATOM 644 C ARG A 57 -3.981 -0.004 -6.717 1.00 0.00 C ATOM 645 O ARG A 57 -5.083 -0.154 -6.187 1.00 0.00 O ATOM 646 CB ARG A 57 -3.502 -2.006 -8.133 1.00 0.00 C ATOM 647 CG ARG A 57 -4.804 -2.753 -7.894 1.00 0.00 C ATOM 648 CD ARG A 57 -5.564 -2.980 -9.190 1.00 0.00 C ATOM 649 NE ARG A 57 -6.753 -3.802 -8.988 1.00 0.00 N ATOM 650 CZ ARG A 57 -7.739 -3.903 -9.873 1.00 0.00 C ATOM 651 NH1 ARG A 57 -7.682 -3.232 -11.016 1.00 0.00 N ATOM 652 NH2 ARG A 57 -8.785 -4.676 -9.616 1.00 0.00 N ATOM 0 H ARG A 57 -3.808 -2.047 -5.166 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.041 -0.793 -7.104 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.625 -1.340 -8.987 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.724 -2.722 -8.396 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.592 -3.713 -7.423 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.427 -2.188 -7.201 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.855 -2.019 -9.613 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.909 -3.462 -9.915 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.832 -4.329 -8.118 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.879 -2.636 -11.218 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.441 -3.312 -11.693 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.833 -5.194 -8.738 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.542 -4.753 -10.296 1.00 0.00 H new ATOM 666 N LEU A 58 -3.539 1.170 -7.161 1.00 0.00 N ATOM 667 CA LEU A 58 -4.332 2.391 -7.055 1.00 0.00 C ATOM 668 C LEU A 58 -5.013 2.678 -8.389 1.00 0.00 C ATOM 669 O LEU A 58 -4.345 2.963 -9.380 1.00 0.00 O ATOM 670 CB LEU A 58 -3.437 3.572 -6.661 1.00 0.00 C ATOM 671 CG LEU A 58 -4.145 4.745 -5.972 1.00 0.00 C ATOM 672 CD1 LEU A 58 -3.127 5.678 -5.337 1.00 0.00 C ATOM 673 CD2 LEU A 58 -5.015 5.505 -6.964 1.00 0.00 C ATOM 0 H LEU A 58 -2.628 1.301 -7.601 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.091 2.255 -6.285 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.654 3.205 -5.998 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.945 3.946 -7.559 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.788 4.345 -5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.645 6.506 -4.852 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.544 5.131 -4.596 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.461 6.068 -6.107 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.508 6.333 -6.455 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.393 5.893 -7.770 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.767 4.833 -7.377 1.00 0.00 H new ATOM 685 N HIS A 59 -6.341 2.590 -8.407 1.00 0.00 N ATOM 686 CA HIS A 59 -7.111 2.828 -9.625 1.00 0.00 C ATOM 687 C HIS A 59 -6.784 1.771 -10.678 1.00 0.00 C ATOM 688 O HIS A 59 -7.482 0.764 -10.794 1.00 0.00 O ATOM 689 CB HIS A 59 -6.833 4.230 -10.175 1.00 0.00 C ATOM 690 CG HIS A 59 -7.790 5.271 -9.681 1.00 0.00 C ATOM 691 ND1 HIS A 59 -8.339 6.238 -10.496 1.00 0.00 N ATOM 692 CD2 HIS A 59 -8.293 5.495 -8.443 1.00 0.00 C ATOM 693 CE1 HIS A 59 -9.138 7.011 -9.782 1.00 0.00 C ATOM 694 NE2 HIS A 59 -9.127 6.581 -8.534 1.00 0.00 N ATOM 0 H HIS A 59 -6.906 2.355 -7.591 1.00 0.00 H new ATOM 0 HA HIS A 59 -8.171 2.759 -9.379 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -5.819 4.523 -9.903 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -6.874 4.198 -11.264 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -8.078 4.925 -7.551 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -9.704 7.852 -10.156 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -9.653 6.990 -7.762 1.00 0.00 H new ATOM 703 N ASN A 60 -5.717 2.003 -11.442 1.00 0.00 N ATOM 704 CA ASN A 60 -5.304 1.061 -12.478 1.00 0.00 C ATOM 705 C ASN A 60 -3.797 0.803 -12.438 1.00 0.00 C ATOM 706 O ASN A 60 -3.273 0.026 -13.238 1.00 0.00 O ATOM 707 CB ASN A 60 -5.706 1.582 -13.859 1.00 0.00 C ATOM 708 CG ASN A 60 -5.205 2.989 -14.118 1.00 0.00 C ATOM 709 OD1 ASN A 60 -4.082 3.339 -13.752 1.00 0.00 O ATOM 710 ND2 ASN A 60 -6.035 3.805 -14.752 1.00 0.00 N ATOM 0 H ASN A 60 -5.127 2.831 -11.363 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.812 0.116 -12.285 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.313 0.913 -14.625 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.792 1.565 -13.948 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.752 4.764 -14.954 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.957 3.474 -15.038 1.00 0.00 H new ATOM 717 N LYS A 61 -3.108 1.446 -11.502 1.00 0.00 N ATOM 718 CA LYS A 61 -1.667 1.273 -11.359 1.00 0.00 C ATOM 719 C LYS A 61 -1.369 0.224 -10.294 1.00 0.00 C ATOM 720 O LYS A 61 -1.875 0.307 -9.178 1.00 0.00 O ATOM 721 CB LYS A 61 -1.005 2.602 -10.990 1.00 0.00 C ATOM 722 CG LYS A 61 -1.351 3.738 -11.939 1.00 0.00 C ATOM 723 CD LYS A 61 -1.461 5.063 -11.203 1.00 0.00 C ATOM 724 CE LYS A 61 -0.116 5.767 -11.115 1.00 0.00 C ATOM 725 NZ LYS A 61 0.479 6.002 -12.460 1.00 0.00 N ATOM 0 H LYS A 61 -3.524 2.092 -10.831 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.260 0.934 -12.312 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.305 2.880 -9.980 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.077 2.468 -10.976 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.587 3.813 -12.713 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.294 3.520 -12.441 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.176 5.706 -11.715 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.849 4.891 -10.199 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.239 6.720 -10.601 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.569 5.167 -10.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.078 6.851 -12.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.056 5.181 -12.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.281 6.138 -13.157 1.00 0.00 H new ATOM 739 N LEU A 62 -0.558 -0.767 -10.646 1.00 0.00 N ATOM 740 CA LEU A 62 -0.218 -1.836 -9.713 1.00 0.00 C ATOM 741 C LEU A 62 1.183 -1.655 -9.138 1.00 0.00 C ATOM 742 O LEU A 62 2.119 -1.288 -9.848 1.00 0.00 O ATOM 743 CB LEU A 62 -0.320 -3.194 -10.412 1.00 0.00 C ATOM 744 CG LEU A 62 -1.673 -3.483 -11.065 1.00 0.00 C ATOM 745 CD1 LEU A 62 -1.625 -3.167 -12.551 1.00 0.00 C ATOM 746 CD2 LEU A 62 -2.074 -4.933 -10.839 1.00 0.00 C ATOM 0 H LEU A 62 -0.125 -0.853 -11.566 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.929 -1.795 -8.887 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.455 -3.252 -11.176 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.110 -3.978 -9.684 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.424 -2.843 -10.602 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.596 -3.378 -12.999 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.382 -2.114 -12.691 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.863 -3.782 -13.029 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.039 -5.121 -11.310 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.322 -5.591 -11.276 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.149 -5.127 -9.769 1.00 0.00 H new ATOM 758 N GLY A 63 1.313 -1.920 -7.840 1.00 0.00 N ATOM 759 CA GLY A 63 2.595 -1.790 -7.176 1.00 0.00 C ATOM 760 C GLY A 63 2.508 -2.042 -5.680 1.00 0.00 C ATOM 761 O GLY A 63 1.430 -1.963 -5.092 1.00 0.00 O ATOM 0 H GLY A 63 0.549 -2.223 -7.236 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.302 -2.492 -7.618 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.990 -0.789 -7.349 1.00 0.00 H new ATOM 765 N LEU A 64 3.648 -2.348 -5.068 1.00 0.00 N ATOM 766 CA LEU A 64 3.705 -2.617 -3.631 1.00 0.00 C ATOM 767 C LEU A 64 3.592 -1.321 -2.828 1.00 0.00 C ATOM 768 O LEU A 64 3.934 -0.247 -3.320 1.00 0.00 O ATOM 769 CB LEU A 64 5.007 -3.347 -3.276 1.00 0.00 C ATOM 770 CG LEU A 64 5.751 -3.975 -4.458 1.00 0.00 C ATOM 771 CD1 LEU A 64 7.186 -4.302 -4.077 1.00 0.00 C ATOM 772 CD2 LEU A 64 5.029 -5.226 -4.935 1.00 0.00 C ATOM 0 H LEU A 64 4.548 -2.416 -5.544 1.00 0.00 H new ATOM 0 HA LEU A 64 2.860 -3.255 -3.372 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.675 -2.643 -2.781 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.779 -4.131 -2.554 1.00 0.00 H new ATOM 0 HG LEU A 64 5.770 -3.253 -5.274 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.697 -4.747 -4.931 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.701 -3.388 -3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.190 -5.006 -3.245 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.570 -5.660 -5.775 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.980 -5.950 -4.122 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.019 -4.965 -5.250 1.00 0.00 H new ATOM 784 N PHE A 65 3.107 -1.427 -1.593 1.00 0.00 N ATOM 785 CA PHE A 65 2.948 -0.256 -0.731 1.00 0.00 C ATOM 786 C PHE A 65 3.283 -0.589 0.726 1.00 0.00 C ATOM 787 O PHE A 65 3.280 -1.755 1.120 1.00 0.00 O ATOM 788 CB PHE A 65 1.512 0.283 -0.825 1.00 0.00 C ATOM 789 CG PHE A 65 0.555 -0.365 0.136 1.00 0.00 C ATOM 790 CD1 PHE A 65 0.438 0.112 1.431 1.00 0.00 C ATOM 791 CD2 PHE A 65 -0.216 -1.450 -0.248 1.00 0.00 C ATOM 792 CE1 PHE A 65 -0.424 -0.477 2.326 1.00 0.00 C ATOM 793 CE2 PHE A 65 -1.084 -2.048 0.645 1.00 0.00 C ATOM 794 CZ PHE A 65 -1.188 -1.561 1.936 1.00 0.00 C ATOM 0 H PHE A 65 2.818 -2.308 -1.167 1.00 0.00 H new ATOM 0 HA PHE A 65 3.644 0.509 -1.076 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.525 1.357 -0.641 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.145 0.138 -1.841 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.032 0.958 1.742 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.138 -1.832 -1.255 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.504 -0.093 3.332 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.680 -2.894 0.336 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.865 -2.027 2.637 1.00 0.00 H new ATOM 804 N PRO A 66 3.565 0.441 1.552 1.00 0.00 N ATOM 805 CA PRO A 66 3.889 0.256 2.973 1.00 0.00 C ATOM 806 C PRO A 66 2.642 0.066 3.837 1.00 0.00 C ATOM 807 O PRO A 66 1.855 0.996 4.013 1.00 0.00 O ATOM 808 CB PRO A 66 4.567 1.575 3.329 1.00 0.00 C ATOM 809 CG PRO A 66 3.861 2.572 2.479 1.00 0.00 C ATOM 810 CD PRO A 66 3.590 1.875 1.174 1.00 0.00 C ATOM 0 HA PRO A 66 4.496 -0.633 3.146 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.462 1.806 4.389 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.635 1.548 3.112 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.933 2.899 2.948 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.473 3.461 2.328 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.643 2.193 0.737 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.366 2.083 0.438 1.00 0.00 H new ATOM 818 N ALA A 67 2.465 -1.136 4.380 1.00 0.00 N ATOM 819 CA ALA A 67 1.308 -1.420 5.224 1.00 0.00 C ATOM 820 C ALA A 67 1.432 -0.719 6.572 1.00 0.00 C ATOM 821 O ALA A 67 0.465 -0.635 7.330 1.00 0.00 O ATOM 822 CB ALA A 67 1.141 -2.919 5.421 1.00 0.00 C ATOM 0 H ALA A 67 3.102 -1.922 4.252 1.00 0.00 H new ATOM 0 HA ALA A 67 0.422 -1.036 4.719 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.273 -3.108 6.053 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.997 -3.399 4.453 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.033 -3.325 5.898 1.00 0.00 H new ATOM 828 N ASN A 68 2.626 -0.214 6.862 1.00 0.00 N ATOM 829 CA ASN A 68 2.877 0.486 8.117 1.00 0.00 C ATOM 830 C ASN A 68 2.563 1.971 7.975 1.00 0.00 C ATOM 831 O ASN A 68 2.181 2.629 8.943 1.00 0.00 O ATOM 832 CB ASN A 68 4.332 0.282 8.557 1.00 0.00 C ATOM 833 CG ASN A 68 5.073 1.587 8.785 1.00 0.00 C ATOM 834 OD1 ASN A 68 5.298 1.994 9.925 1.00 0.00 O ATOM 835 ND2 ASN A 68 5.460 2.249 7.700 1.00 0.00 N ATOM 0 H ASN A 68 3.436 -0.276 6.245 1.00 0.00 H new ATOM 0 HA ASN A 68 2.222 0.071 8.883 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.349 -0.304 9.476 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.857 -0.299 7.799 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.964 3.131 7.793 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.253 1.876 6.774 1.00 0.00 H new ATOM 842 N TYR A 69 2.719 2.492 6.760 1.00 0.00 N ATOM 843 CA TYR A 69 2.446 3.897 6.493 1.00 0.00 C ATOM 844 C TYR A 69 0.947 4.138 6.382 1.00 0.00 C ATOM 845 O TYR A 69 0.431 5.138 6.884 1.00 0.00 O ATOM 846 CB TYR A 69 3.143 4.345 5.208 1.00 0.00 C ATOM 847 CG TYR A 69 3.818 5.694 5.319 1.00 0.00 C ATOM 848 CD1 TYR A 69 4.806 5.923 6.267 1.00 0.00 C ATOM 849 CD2 TYR A 69 3.466 6.738 4.474 1.00 0.00 C ATOM 850 CE1 TYR A 69 5.426 7.153 6.370 1.00 0.00 C ATOM 851 CE2 TYR A 69 4.083 7.972 4.569 1.00 0.00 C ATOM 852 CZ TYR A 69 5.062 8.174 5.519 1.00 0.00 C ATOM 853 OH TYR A 69 5.678 9.401 5.616 1.00 0.00 O ATOM 0 H TYR A 69 3.033 1.961 5.948 1.00 0.00 H new ATOM 0 HA TYR A 69 2.835 4.483 7.326 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.887 3.599 4.930 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.410 4.381 4.402 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.095 5.126 6.936 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.698 6.584 3.731 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.192 7.314 7.114 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.800 8.773 3.903 1.00 0.00 H new ATOM 0 HH TYR A 69 5.306 10.008 4.943 1.00 0.00 H new ATOM 863 N VAL A 70 0.249 3.219 5.720 1.00 0.00 N ATOM 864 CA VAL A 70 -1.194 3.343 5.548 1.00 0.00 C ATOM 865 C VAL A 70 -1.928 2.118 6.098 1.00 0.00 C ATOM 866 O VAL A 70 -1.328 1.061 6.293 1.00 0.00 O ATOM 867 CB VAL A 70 -1.560 3.550 4.061 1.00 0.00 C ATOM 868 CG1 VAL A 70 -0.373 4.110 3.295 1.00 0.00 C ATOM 869 CG2 VAL A 70 -2.040 2.255 3.425 1.00 0.00 C ATOM 0 H VAL A 70 0.657 2.385 5.297 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.512 4.219 6.113 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.378 4.269 4.014 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.648 4.250 2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.082 5.068 3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.463 3.414 3.360 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.290 2.434 2.379 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.251 1.505 3.487 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.924 1.896 3.953 1.00 0.00 H new ATOM 879 N ALA A 71 -3.227 2.274 6.350 1.00 0.00 N ATOM 880 CA ALA A 71 -4.043 1.183 6.883 1.00 0.00 C ATOM 881 C ALA A 71 -5.326 1.009 6.072 1.00 0.00 C ATOM 882 O ALA A 71 -5.820 1.964 5.472 1.00 0.00 O ATOM 883 CB ALA A 71 -4.367 1.437 8.349 1.00 0.00 C ATOM 0 H ALA A 71 -3.737 3.144 6.194 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.470 0.259 6.805 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.975 0.618 8.734 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.441 1.502 8.920 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.918 2.373 8.443 1.00 0.00 H new ATOM 889 N PRO A 72 -5.878 -0.222 6.025 1.00 0.00 N ATOM 890 CA PRO A 72 -7.098 -0.516 5.263 1.00 0.00 C ATOM 891 C PRO A 72 -8.292 0.331 5.666 1.00 0.00 C ATOM 892 O PRO A 72 -8.203 1.200 6.535 1.00 0.00 O ATOM 893 CB PRO A 72 -7.371 -1.990 5.558 1.00 0.00 C ATOM 894 CG PRO A 72 -6.048 -2.541 5.942 1.00 0.00 C ATOM 895 CD PRO A 72 -5.352 -1.433 6.684 1.00 0.00 C ATOM 0 HA PRO A 72 -6.953 -0.293 4.206 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.098 -2.106 6.362 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.776 -2.502 4.685 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.158 -3.425 6.570 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.478 -2.843 5.063 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.586 -1.449 7.748 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.268 -1.504 6.595 1.00 0.00 H new ATOM 903 N MET A 73 -9.409 0.066 5.005 1.00 0.00 N ATOM 904 CA MET A 73 -10.645 0.785 5.246 1.00 0.00 C ATOM 905 C MET A 73 -11.843 -0.127 5.007 1.00 0.00 C ATOM 906 O MET A 73 -12.251 -0.340 3.864 1.00 0.00 O ATOM 907 CB MET A 73 -10.712 1.990 4.314 1.00 0.00 C ATOM 908 CG MET A 73 -11.559 3.134 4.848 1.00 0.00 C ATOM 909 SD MET A 73 -12.458 4.002 3.547 1.00 0.00 S ATOM 910 CE MET A 73 -13.507 2.691 2.927 1.00 0.00 C ATOM 0 H MET A 73 -9.481 -0.655 4.287 1.00 0.00 H new ATOM 0 HA MET A 73 -10.670 1.122 6.282 1.00 0.00 H new ATOM 0 HB2 MET A 73 -9.701 2.353 4.132 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.114 1.671 3.352 1.00 0.00 H new ATOM 0 HG2 MET A 73 -12.270 2.745 5.577 1.00 0.00 H new ATOM 0 HG3 MET A 73 -10.917 3.841 5.374 1.00 0.00 H new ATOM 0 HE1 MET A 73 -14.449 3.113 2.578 1.00 0.00 H new ATOM 0 HE2 MET A 73 -13.008 2.186 2.100 1.00 0.00 H new ATOM 0 HE3 MET A 73 -13.704 1.975 3.725 1.00 0.00 H new ATOM 975 N PRO B 77 5.388 6.561 10.865 1.00 0.00 N ATOM 976 CA PRO B 77 5.515 5.146 10.516 1.00 0.00 C ATOM 977 C PRO B 77 6.674 4.892 9.559 1.00 0.00 C ATOM 978 O PRO B 77 6.795 5.552 8.528 1.00 0.00 O ATOM 979 CB PRO B 77 4.180 4.801 9.841 1.00 0.00 C ATOM 980 CG PRO B 77 3.455 6.096 9.670 1.00 0.00 C ATOM 981 CD PRO B 77 4.011 7.038 10.696 1.00 0.00 C ATOM 0 HA PRO B 77 5.723 4.536 11.395 1.00 0.00 H new ATOM 0 HB2 PRO B 77 4.344 4.316 8.879 1.00 0.00 H new ATOM 0 HB3 PRO B 77 3.602 4.108 10.453 1.00 0.00 H new ATOM 0 HG2 PRO B 77 3.599 6.490 8.664 1.00 0.00 H new ATOM 0 HG3 PRO B 77 2.382 5.961 9.809 1.00 0.00 H new ATOM 0 HD2 PRO B 77 3.981 8.072 10.354 1.00 0.00 H new ATOM 0 HD3 PRO B 77 3.451 6.995 11.630 1.00 0.00 H new ATOM 989 N SER B 78 7.527 3.936 9.908 1.00 0.00 N ATOM 990 CA SER B 78 8.678 3.600 9.079 1.00 0.00 C ATOM 991 C SER B 78 8.562 2.188 8.525 1.00 0.00 C ATOM 992 O SER B 78 8.352 1.230 9.268 1.00 0.00 O ATOM 993 CB SER B 78 9.971 3.748 9.880 1.00 0.00 C ATOM 994 OG SER B 78 10.990 2.904 9.370 1.00 0.00 O ATOM 0 H SER B 78 7.443 3.380 10.759 1.00 0.00 H new ATOM 0 HA SER B 78 8.701 4.293 8.238 1.00 0.00 H new ATOM 0 HB2 SER B 78 10.305 4.785 9.848 1.00 0.00 H new ATOM 0 HB3 SER B 78 9.784 3.505 10.926 1.00 0.00 H new ATOM 0 HG SER B 78 11.806 3.020 9.900 1.00 0.00 H new ATOM 1000 N ILE B 79 8.695 2.074 7.209 1.00 0.00 N ATOM 1001 CA ILE B 79 8.601 0.789 6.540 1.00 0.00 C ATOM 1002 C ILE B 79 9.931 0.407 5.889 1.00 0.00 C ATOM 1003 O ILE B 79 10.580 1.229 5.239 1.00 0.00 O ATOM 1004 CB ILE B 79 7.462 0.801 5.491 1.00 0.00 C ATOM 1005 CG1 ILE B 79 6.397 -0.234 5.862 1.00 0.00 C ATOM 1006 CG2 ILE B 79 7.985 0.565 4.077 1.00 0.00 C ATOM 1007 CD1 ILE B 79 6.729 -1.648 5.427 1.00 0.00 C ATOM 0 H ILE B 79 8.869 2.862 6.585 1.00 0.00 H new ATOM 0 HA ILE B 79 8.368 0.036 7.292 1.00 0.00 H new ATOM 0 HB ILE B 79 7.010 1.793 5.499 1.00 0.00 H new ATOM 0 HG12 ILE B 79 6.255 -0.222 6.943 1.00 0.00 H new ATOM 0 HG13 ILE B 79 5.448 0.060 5.412 1.00 0.00 H new ATOM 0 HG21 ILE B 79 7.152 0.581 3.374 1.00 0.00 H new ATOM 0 HG22 ILE B 79 8.696 1.349 3.816 1.00 0.00 H new ATOM 0 HG23 ILE B 79 8.481 -0.405 4.030 1.00 0.00 H new ATOM 0 HD11 ILE B 79 5.925 -2.319 5.728 1.00 0.00 H new ATOM 0 HD12 ILE B 79 6.841 -1.678 4.343 1.00 0.00 H new ATOM 0 HD13 ILE B 79 7.660 -1.964 5.897 1.00 0.00 H new ATOM 1019 N ASP B 80 10.330 -0.846 6.077 1.00 0.00 N ATOM 1020 CA ASP B 80 11.580 -1.351 5.516 1.00 0.00 C ATOM 1021 C ASP B 80 11.330 -2.088 4.204 1.00 0.00 C ATOM 1022 O ASP B 80 10.476 -2.970 4.131 1.00 0.00 O ATOM 1023 CB ASP B 80 12.270 -2.283 6.513 1.00 0.00 C ATOM 1024 CG ASP B 80 12.557 -1.601 7.836 1.00 0.00 C ATOM 1025 OD1 ASP B 80 11.594 -1.324 8.581 1.00 0.00 O ATOM 1026 OD2 ASP B 80 13.744 -1.343 8.125 1.00 0.00 O ATOM 0 H ASP B 80 9.804 -1.534 6.616 1.00 0.00 H new ATOM 0 HA ASP B 80 12.229 -0.499 5.315 1.00 0.00 H new ATOM 0 HB2 ASP B 80 11.641 -3.156 6.686 1.00 0.00 H new ATOM 0 HB3 ASP B 80 13.204 -2.644 6.083 1.00 0.00 H new ATOM 1031 N ARG B 81 12.080 -1.719 3.170 1.00 0.00 N ATOM 1032 CA ARG B 81 11.939 -2.342 1.857 1.00 0.00 C ATOM 1033 C ARG B 81 12.612 -3.711 1.816 1.00 0.00 C ATOM 1034 O ARG B 81 12.516 -4.432 0.822 1.00 0.00 O ATOM 1035 CB ARG B 81 12.539 -1.439 0.779 1.00 0.00 C ATOM 1036 CG ARG B 81 11.771 -0.144 0.575 1.00 0.00 C ATOM 1037 CD ARG B 81 11.488 0.108 -0.895 1.00 0.00 C ATOM 1038 NE ARG B 81 12.667 0.600 -1.602 1.00 0.00 N ATOM 1039 CZ ARG B 81 13.265 -0.060 -2.589 1.00 0.00 C ATOM 1040 NH1 ARG B 81 12.799 -1.238 -2.982 1.00 0.00 N ATOM 1041 NH2 ARG B 81 14.330 0.459 -3.184 1.00 0.00 N ATOM 0 H ARG B 81 12.793 -0.991 3.216 1.00 0.00 H new ATOM 0 HA ARG B 81 10.875 -2.480 1.666 1.00 0.00 H new ATOM 0 HB2 ARG B 81 13.569 -1.203 1.046 1.00 0.00 H new ATOM 0 HB3 ARG B 81 12.572 -1.985 -0.164 1.00 0.00 H new ATOM 0 HG2 ARG B 81 10.831 -0.186 1.126 1.00 0.00 H new ATOM 0 HG3 ARG B 81 12.343 0.688 0.985 1.00 0.00 H new ATOM 0 HD2 ARG B 81 11.144 -0.815 -1.362 1.00 0.00 H new ATOM 0 HD3 ARG B 81 10.680 0.833 -0.990 1.00 0.00 H new ATOM 0 HE ARG B 81 13.054 1.502 -1.323 1.00 0.00 H new ATOM 0 HH11 ARG B 81 11.980 -1.640 -2.527 1.00 0.00 H new ATOM 0 HH12 ARG B 81 13.260 -1.742 -3.740 1.00 0.00 H new ATOM 0 HH21 ARG B 81 14.691 1.365 -2.885 1.00 0.00 H new ATOM 0 HH22 ARG B 81 14.789 -0.048 -3.941 1.00 0.00 H new ATOM 1055 N SER B 82 13.297 -4.062 2.897 1.00 0.00 N ATOM 1056 CA SER B 82 13.990 -5.344 2.980 1.00 0.00 C ATOM 1057 C SER B 82 13.013 -6.485 3.248 1.00 0.00 C ATOM 1058 O SER B 82 13.422 -7.632 3.430 1.00 0.00 O ATOM 1059 CB SER B 82 15.053 -5.299 4.079 1.00 0.00 C ATOM 1060 OG SER B 82 15.788 -6.510 4.127 1.00 0.00 O ATOM 0 H SER B 82 13.388 -3.478 3.728 1.00 0.00 H new ATOM 0 HA SER B 82 14.472 -5.527 2.020 1.00 0.00 H new ATOM 0 HB2 SER B 82 15.731 -4.465 3.899 1.00 0.00 H new ATOM 0 HB3 SER B 82 14.577 -5.120 5.043 1.00 0.00 H new ATOM 0 HG SER B 82 15.198 -7.260 3.904 1.00 0.00 H new ATOM 1066 N THR B 83 11.722 -6.166 3.285 1.00 0.00 N ATOM 1067 CA THR B 83 10.698 -7.172 3.545 1.00 0.00 C ATOM 1068 C THR B 83 9.594 -7.148 2.487 1.00 0.00 C ATOM 1069 O THR B 83 8.459 -7.545 2.753 1.00 0.00 O ATOM 1070 CB THR B 83 10.075 -6.979 4.942 1.00 0.00 C ATOM 1071 OG1 THR B 83 9.128 -8.021 5.209 1.00 0.00 O ATOM 1072 CG2 THR B 83 9.392 -5.625 5.049 1.00 0.00 C ATOM 0 H THR B 83 11.362 -5.223 3.139 1.00 0.00 H new ATOM 0 HA THR B 83 11.193 -8.142 3.503 1.00 0.00 H new ATOM 0 HB THR B 83 10.877 -7.023 5.679 1.00 0.00 H new ATOM 0 HG1 THR B 83 8.627 -8.225 4.392 1.00 0.00 H new ATOM 0 HG21 THR B 83 8.960 -5.513 6.044 1.00 0.00 H new ATOM 0 HG22 THR B 83 10.123 -4.834 4.879 1.00 0.00 H new ATOM 0 HG23 THR B 83 8.602 -5.556 4.301 1.00 0.00 H new ATOM 1080 N LYS B 84 9.933 -6.690 1.284 1.00 0.00 N ATOM 1081 CA LYS B 84 8.965 -6.628 0.190 1.00 0.00 C ATOM 1082 C LYS B 84 8.429 -8.024 -0.134 1.00 0.00 C ATOM 1083 O LYS B 84 9.059 -9.025 0.204 1.00 0.00 O ATOM 1084 CB LYS B 84 9.611 -6.014 -1.055 1.00 0.00 C ATOM 1085 CG LYS B 84 9.424 -4.509 -1.160 1.00 0.00 C ATOM 1086 CD LYS B 84 10.729 -3.810 -1.505 1.00 0.00 C ATOM 1087 CE LYS B 84 10.962 -3.768 -3.006 1.00 0.00 C ATOM 1088 NZ LYS B 84 11.194 -5.125 -3.573 1.00 0.00 N ATOM 0 H LYS B 84 10.866 -6.358 1.042 1.00 0.00 H new ATOM 0 HA LYS B 84 8.132 -5.999 0.504 1.00 0.00 H new ATOM 0 HB2 LYS B 84 10.677 -6.239 -1.049 1.00 0.00 H new ATOM 0 HB3 LYS B 84 9.190 -6.487 -1.943 1.00 0.00 H new ATOM 0 HG2 LYS B 84 8.678 -4.286 -1.922 1.00 0.00 H new ATOM 0 HG3 LYS B 84 9.041 -4.122 -0.216 1.00 0.00 H new ATOM 0 HD2 LYS B 84 10.714 -2.794 -1.110 1.00 0.00 H new ATOM 0 HD3 LYS B 84 11.558 -4.327 -1.022 1.00 0.00 H new ATOM 0 HE2 LYS B 84 10.100 -3.314 -3.494 1.00 0.00 H new ATOM 0 HE3 LYS B 84 11.821 -3.133 -3.222 1.00 0.00 H new ATOM 0 HZ1 LYS B 84 11.610 -5.038 -4.522 1.00 0.00 H new ATOM 0 HZ2 LYS B 84 11.845 -5.652 -2.957 1.00 0.00 H new ATOM 0 HZ3 LYS B 84 10.289 -5.634 -3.637 1.00 0.00 H new ATOM 1102 N PRO B 85 7.253 -8.113 -0.794 1.00 0.00 N ATOM 1103 CA PRO B 85 6.646 -9.400 -1.155 1.00 0.00 C ATOM 1104 C PRO B 85 7.647 -10.363 -1.780 1.00 0.00 C ATOM 1105 O PRO B 85 8.005 -10.230 -2.950 1.00 0.00 O ATOM 1106 CB PRO B 85 5.580 -9.011 -2.175 1.00 0.00 C ATOM 1107 CG PRO B 85 5.185 -7.627 -1.794 1.00 0.00 C ATOM 1108 CD PRO B 85 6.423 -6.973 -1.240 1.00 0.00 C ATOM 0 HA PRO B 85 6.256 -9.923 -0.282 1.00 0.00 H new ATOM 0 HB2 PRO B 85 5.972 -9.046 -3.191 1.00 0.00 H new ATOM 0 HB3 PRO B 85 4.729 -9.691 -2.138 1.00 0.00 H new ATOM 0 HG2 PRO B 85 4.808 -7.078 -2.657 1.00 0.00 H new ATOM 0 HG3 PRO B 85 4.387 -7.641 -1.052 1.00 0.00 H new ATOM 0 HD2 PRO B 85 6.934 -6.378 -1.997 1.00 0.00 H new ATOM 0 HD3 PRO B 85 6.186 -6.303 -0.414 1.00 0.00 H new ATOM 1116 N ALA B 86 8.096 -11.332 -0.992 1.00 0.00 N ATOM 1117 CA ALA B 86 9.057 -12.318 -1.471 1.00 0.00 C ATOM 1118 C ALA B 86 8.950 -13.618 -0.683 1.00 0.00 C ATOM 1119 O ALA B 86 8.693 -14.669 -1.308 1.00 0.00 O ATOM 1120 CB ALA B 86 10.469 -11.760 -1.387 1.00 0.00 C ATOM 1121 OXT ALA B 86 9.124 -13.576 0.554 1.00 0.00 O ATOM 0 H ALA B 86 7.811 -11.456 -0.021 1.00 0.00 H new ATOM 0 HA ALA B 86 8.827 -12.538 -2.513 1.00 0.00 H new ATOM 0 HB1 ALA B 86 11.177 -12.506 -1.748 1.00 0.00 H new ATOM 0 HB2 ALA B 86 10.543 -10.863 -2.002 1.00 0.00 H new ATOM 0 HB3 ALA B 86 10.701 -11.511 -0.352 1.00 0.00 H new