USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 590 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 2 SER OG : rot -25:sc= 0.204 USER MOD Single : A 5 LYS NZ :NH3+ -117:sc= 0.44 (180deg=-1.33) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -2.38 K(o=-2.4,f=-15!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -75:sc= 0.341 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.728 F(o=-2.7,f=-0.73) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 131:sc= -1.69! USER MOD Single : A 54 LYS NZ :NH3+ -142:sc= 0.107 (180deg=-0.0121) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.57 K(o=-1.6,f=-8.4!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 13:sc= 0.66! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 8.730 -4.319 3.418 1.00 1.27 N ATOM 19 CA SER A 2 9.510 -5.063 2.438 1.00 0.64 C ATOM 20 C SER A 2 10.575 -4.178 1.794 1.00 0.57 C ATOM 21 O SER A 2 11.366 -3.539 2.487 1.00 0.62 O ATOM 22 CB SER A 2 8.589 -5.658 1.369 1.00 1.37 C ATOM 23 OG SER A 2 7.699 -4.680 0.861 1.00 2.15 O ATOM 0 HA SER A 2 10.019 -5.876 2.956 1.00 0.64 H new ATOM 0 HB2 SER A 2 9.188 -6.067 0.555 1.00 1.37 H new ATOM 0 HB3 SER A 2 8.021 -6.486 1.794 1.00 1.37 H new ATOM 0 HG SER A 2 7.570 -3.976 1.531 1.00 2.15 H new ATOM 29 N ILE A 3 10.595 -4.160 0.467 1.00 0.57 N ATOM 30 CA ILE A 3 11.565 -3.373 -0.285 1.00 0.52 C ATOM 31 C ILE A 3 11.576 -1.908 0.144 1.00 0.43 C ATOM 32 O ILE A 3 12.613 -1.248 0.079 1.00 0.47 O ATOM 33 CB ILE A 3 11.289 -3.446 -1.799 1.00 0.54 C ATOM 34 CG1 ILE A 3 11.157 -4.901 -2.246 1.00 0.67 C ATOM 35 CG2 ILE A 3 12.397 -2.755 -2.574 1.00 0.53 C ATOM 36 CD1 ILE A 3 10.631 -5.057 -3.657 1.00 0.52 C ATOM 0 H ILE A 3 9.944 -4.687 -0.115 1.00 0.57 H new ATOM 0 HA ILE A 3 12.541 -3.807 -0.068 1.00 0.52 H new ATOM 0 HB ILE A 3 10.350 -2.932 -2.004 1.00 0.54 H new ATOM 0 HG12 ILE A 3 12.132 -5.384 -2.175 1.00 0.67 H new ATOM 0 HG13 ILE A 3 10.492 -5.424 -1.559 1.00 0.67 H new ATOM 0 HG21 ILE A 3 12.187 -2.816 -3.642 1.00 0.53 H new ATOM 0 HG22 ILE A 3 12.453 -1.709 -2.274 1.00 0.53 H new ATOM 0 HG23 ILE A 3 13.348 -3.244 -2.363 1.00 0.53 H new ATOM 0 HD11 ILE A 3 10.564 -6.116 -3.905 1.00 0.52 H new ATOM 0 HD12 ILE A 3 9.642 -4.604 -3.729 1.00 0.52 H new ATOM 0 HD13 ILE A 3 11.308 -4.563 -4.354 1.00 0.52 H new ATOM 48 N TRP A 4 10.426 -1.399 0.568 1.00 0.37 N ATOM 49 CA TRP A 4 10.331 -0.007 0.987 1.00 0.31 C ATOM 50 C TRP A 4 10.081 0.109 2.487 1.00 0.34 C ATOM 51 O TRP A 4 9.525 -0.796 3.110 1.00 0.39 O ATOM 52 CB TRP A 4 9.223 0.701 0.203 1.00 0.31 C ATOM 53 CG TRP A 4 9.525 0.797 -1.261 1.00 0.27 C ATOM 54 CD1 TRP A 4 9.014 0.018 -2.259 1.00 0.27 C ATOM 55 CD2 TRP A 4 10.419 1.722 -1.891 1.00 0.25 C ATOM 56 NE1 TRP A 4 9.544 0.395 -3.469 1.00 0.25 N ATOM 57 CE2 TRP A 4 10.406 1.441 -3.270 1.00 0.24 C ATOM 58 CE3 TRP A 4 11.228 2.761 -1.422 1.00 0.26 C ATOM 59 CZ2 TRP A 4 11.173 2.160 -4.183 1.00 0.25 C ATOM 60 CZ3 TRP A 4 11.988 3.475 -2.331 1.00 0.26 C ATOM 61 CH2 TRP A 4 11.955 3.171 -3.697 1.00 0.26 C ATOM 0 H TRP A 4 9.554 -1.924 0.631 1.00 0.37 H new ATOM 0 HA TRP A 4 11.284 0.476 0.774 1.00 0.31 H new ATOM 0 HB2 TRP A 4 8.285 0.164 0.342 1.00 0.31 H new ATOM 0 HB3 TRP A 4 9.080 1.703 0.607 1.00 0.31 H new ATOM 0 HD1 TRP A 4 8.298 -0.778 -2.118 1.00 0.27 H new ATOM 0 HE1 TRP A 4 9.330 -0.034 -4.369 1.00 0.25 H new ATOM 0 HE3 TRP A 4 11.259 3.002 -0.370 1.00 0.26 H new ATOM 0 HZ2 TRP A 4 11.151 1.927 -5.237 1.00 0.25 H new ATOM 0 HZ3 TRP A 4 12.617 4.280 -1.981 1.00 0.26 H new ATOM 0 HH2 TRP A 4 12.560 3.747 -4.382 1.00 0.26 H new ATOM 72 N LYS A 5 10.501 1.235 3.058 1.00 0.32 N ATOM 73 CA LYS A 5 10.330 1.487 4.480 1.00 0.36 C ATOM 74 C LYS A 5 9.996 2.958 4.717 1.00 0.35 C ATOM 75 O LYS A 5 10.240 3.802 3.855 1.00 0.31 O ATOM 76 CB LYS A 5 11.602 1.073 5.234 1.00 0.39 C ATOM 77 CG LYS A 5 12.051 2.040 6.313 1.00 0.93 C ATOM 78 CD LYS A 5 12.443 1.298 7.572 1.00 0.71 C ATOM 79 CE LYS A 5 11.225 0.872 8.376 1.00 1.55 C ATOM 80 NZ LYS A 5 10.445 2.040 8.867 1.00 1.94 N ATOM 0 H LYS A 5 10.964 1.989 2.551 1.00 0.32 H new ATOM 0 HA LYS A 5 9.499 0.892 4.859 1.00 0.36 H new ATOM 0 HB2 LYS A 5 11.435 0.097 5.689 1.00 0.39 H new ATOM 0 HB3 LYS A 5 12.411 0.955 4.513 1.00 0.39 H new ATOM 0 HG2 LYS A 5 12.897 2.626 5.953 1.00 0.93 H new ATOM 0 HG3 LYS A 5 11.248 2.742 6.535 1.00 0.93 H new ATOM 0 HD2 LYS A 5 13.031 0.419 7.308 1.00 0.71 H new ATOM 0 HD3 LYS A 5 13.080 1.935 8.186 1.00 0.71 H new ATOM 0 HE2 LYS A 5 10.585 0.242 7.758 1.00 1.55 H new ATOM 0 HE3 LYS A 5 11.544 0.267 9.224 1.00 1.55 H new ATOM 0 HZ1 LYS A 5 10.451 2.049 9.907 1.00 1.94 H new ATOM 0 HZ2 LYS A 5 10.873 2.918 8.511 1.00 1.94 H new ATOM 0 HZ3 LYS A 5 9.465 1.970 8.527 1.00 1.94 H new ATOM 94 N GLU A 6 9.437 3.263 5.884 1.00 0.37 N ATOM 95 CA GLU A 6 9.078 4.638 6.212 1.00 0.37 C ATOM 96 C GLU A 6 10.062 5.243 7.206 1.00 0.32 C ATOM 97 O GLU A 6 10.235 4.740 8.317 1.00 0.37 O ATOM 98 CB GLU A 6 7.659 4.711 6.771 1.00 0.45 C ATOM 99 CG GLU A 6 6.625 5.076 5.725 1.00 1.05 C ATOM 100 CD GLU A 6 6.015 3.860 5.056 1.00 2.02 C ATOM 101 OE1 GLU A 6 5.136 3.221 5.671 1.00 2.26 O ATOM 102 OE2 GLU A 6 6.417 3.546 3.915 1.00 2.86 O ATOM 0 H GLU A 6 9.224 2.582 6.613 1.00 0.37 H new ATOM 0 HA GLU A 6 9.122 5.217 5.289 1.00 0.37 H new ATOM 0 HB2 GLU A 6 7.398 3.748 7.210 1.00 0.45 H new ATOM 0 HB3 GLU A 6 7.629 5.447 7.575 1.00 0.45 H new ATOM 0 HG2 GLU A 6 5.834 5.664 6.191 1.00 1.05 H new ATOM 0 HG3 GLU A 6 7.088 5.708 4.967 1.00 1.05 H new ATOM 109 N ALA A 7 10.702 6.328 6.789 1.00 0.27 N ATOM 110 CA ALA A 7 11.673 7.020 7.627 1.00 0.25 C ATOM 111 C ALA A 7 11.380 8.517 7.668 1.00 0.26 C ATOM 112 O ALA A 7 10.592 9.021 6.867 1.00 0.28 O ATOM 113 CB ALA A 7 13.085 6.763 7.120 1.00 0.22 C ATOM 0 H ALA A 7 10.565 6.750 5.870 1.00 0.27 H new ATOM 0 HA ALA A 7 11.593 6.631 8.642 1.00 0.25 H new ATOM 0 HB1 ALA A 7 13.800 7.286 7.755 1.00 0.22 H new ATOM 0 HB2 ALA A 7 13.292 5.693 7.145 1.00 0.22 H new ATOM 0 HB3 ALA A 7 13.176 7.126 6.096 1.00 0.22 H new ATOM 119 N LYS A 8 12.004 9.225 8.606 1.00 0.27 N ATOM 120 CA LYS A 8 11.784 10.662 8.734 1.00 0.31 C ATOM 121 C LYS A 8 13.088 11.421 8.495 1.00 0.31 C ATOM 122 O LYS A 8 14.136 11.051 9.028 1.00 0.29 O ATOM 123 CB LYS A 8 11.239 10.988 10.127 1.00 0.34 C ATOM 124 CG LYS A 8 10.074 11.959 10.114 1.00 0.41 C ATOM 125 CD LYS A 8 8.960 11.500 11.041 1.00 0.51 C ATOM 126 CE LYS A 8 7.743 11.026 10.262 1.00 1.09 C ATOM 127 NZ LYS A 8 6.683 10.488 11.158 1.00 1.32 N ATOM 0 H LYS A 8 12.659 8.832 9.282 1.00 0.27 H new ATOM 0 HA LYS A 8 11.055 10.971 7.985 1.00 0.31 H new ATOM 0 HB2 LYS A 8 10.924 10.063 10.610 1.00 0.34 H new ATOM 0 HB3 LYS A 8 12.043 11.406 10.733 1.00 0.34 H new ATOM 0 HG2 LYS A 8 10.419 12.947 10.418 1.00 0.41 H new ATOM 0 HG3 LYS A 8 9.689 12.054 9.099 1.00 0.41 H new ATOM 0 HD2 LYS A 8 9.324 10.692 11.676 1.00 0.51 H new ATOM 0 HD3 LYS A 8 8.674 12.319 11.701 1.00 0.51 H new ATOM 0 HE2 LYS A 8 7.340 11.855 9.680 1.00 1.09 H new ATOM 0 HE3 LYS A 8 8.044 10.255 9.553 1.00 1.09 H new ATOM 0 HZ1 LYS A 8 5.871 10.176 10.587 1.00 1.32 H new ATOM 0 HZ2 LYS A 8 7.059 9.681 11.695 1.00 1.32 H new ATOM 0 HZ3 LYS A 8 6.377 11.231 11.818 1.00 1.32 H new ATOM 141 N ASP A 9 13.023 12.477 7.691 1.00 0.36 N ATOM 142 CA ASP A 9 14.202 13.280 7.380 1.00 0.39 C ATOM 143 C ASP A 9 14.716 14.008 8.618 1.00 0.42 C ATOM 144 O ASP A 9 14.124 13.916 9.695 1.00 0.43 O ATOM 145 CB ASP A 9 13.879 14.290 6.277 1.00 0.44 C ATOM 146 CG ASP A 9 15.109 14.698 5.492 1.00 0.48 C ATOM 147 OD1 ASP A 9 15.676 13.838 4.786 1.00 0.78 O ATOM 148 OD2 ASP A 9 15.505 15.880 5.581 1.00 0.59 O ATOM 0 H ASP A 9 12.165 12.798 7.242 1.00 0.36 H new ATOM 0 HA ASP A 9 14.984 12.606 7.031 1.00 0.39 H new ATOM 0 HB2 ASP A 9 13.143 13.860 5.597 1.00 0.44 H new ATOM 0 HB3 ASP A 9 13.424 15.175 6.720 1.00 0.44 H new ATOM 153 N ALA A 10 15.819 14.734 8.455 1.00 0.44 N ATOM 154 CA ALA A 10 16.415 15.484 9.556 1.00 0.48 C ATOM 155 C ALA A 10 15.432 16.508 10.110 1.00 0.51 C ATOM 156 O ALA A 10 15.532 16.920 11.267 1.00 0.54 O ATOM 157 CB ALA A 10 17.692 16.169 9.097 1.00 0.51 C ATOM 0 H ALA A 10 16.318 14.819 7.570 1.00 0.44 H new ATOM 0 HA ALA A 10 16.661 14.783 10.354 1.00 0.48 H new ATOM 0 HB1 ALA A 10 18.126 16.725 9.928 1.00 0.51 H new ATOM 0 HB2 ALA A 10 18.403 15.419 8.751 1.00 0.51 H new ATOM 0 HB3 ALA A 10 17.464 16.855 8.282 1.00 0.51 H new ATOM 163 N SER A 11 14.480 16.912 9.274 1.00 0.52 N ATOM 164 CA SER A 11 13.472 17.885 9.674 1.00 0.56 C ATOM 165 C SER A 11 12.228 17.183 10.206 1.00 0.50 C ATOM 166 O SER A 11 11.440 17.773 10.947 1.00 0.61 O ATOM 167 CB SER A 11 13.103 18.784 8.495 1.00 0.71 C ATOM 168 OG SER A 11 13.820 20.005 8.539 1.00 1.00 O ATOM 0 H SER A 11 14.387 16.579 8.314 1.00 0.52 H new ATOM 0 HA SER A 11 13.890 18.502 10.470 1.00 0.56 H new ATOM 0 HB2 SER A 11 13.316 18.267 7.559 1.00 0.71 H new ATOM 0 HB3 SER A 11 12.032 18.987 8.510 1.00 0.71 H new ATOM 0 HG SER A 11 13.567 20.561 7.773 1.00 1.00 H new ATOM 174 N GLY A 12 12.051 15.925 9.815 1.00 0.52 N ATOM 175 CA GLY A 12 10.897 15.167 10.251 1.00 0.47 C ATOM 176 C GLY A 12 9.896 14.941 9.134 1.00 0.53 C ATOM 177 O GLY A 12 8.734 14.621 9.387 1.00 0.59 O ATOM 0 H GLY A 12 12.689 15.418 9.202 1.00 0.52 H new ATOM 0 HA2 GLY A 12 11.225 14.204 10.641 1.00 0.47 H new ATOM 0 HA3 GLY A 12 10.409 15.694 11.071 1.00 0.47 H new ATOM 181 N ARG A 13 10.354 15.091 7.893 1.00 0.56 N ATOM 182 CA ARG A 13 9.499 14.883 6.731 1.00 0.64 C ATOM 183 C ARG A 13 9.456 13.400 6.374 1.00 0.56 C ATOM 184 O ARG A 13 10.459 12.700 6.493 1.00 0.52 O ATOM 185 CB ARG A 13 10.015 15.694 5.542 1.00 0.75 C ATOM 186 CG ARG A 13 10.327 17.141 5.884 1.00 0.87 C ATOM 187 CD ARG A 13 11.685 17.561 5.345 1.00 0.97 C ATOM 188 NE ARG A 13 11.760 17.432 3.893 1.00 1.24 N ATOM 189 CZ ARG A 13 11.315 18.356 3.047 1.00 1.60 C ATOM 190 NH1 ARG A 13 10.769 19.474 3.507 1.00 1.53 N ATOM 191 NH2 ARG A 13 11.415 18.164 1.737 1.00 2.38 N ATOM 0 H ARG A 13 11.313 15.356 7.668 1.00 0.56 H new ATOM 0 HA ARG A 13 8.491 15.219 6.972 1.00 0.64 H new ATOM 0 HB2 ARG A 13 10.915 15.219 5.152 1.00 0.75 H new ATOM 0 HB3 ARG A 13 9.271 15.670 4.746 1.00 0.75 H new ATOM 0 HG2 ARG A 13 9.554 17.789 5.470 1.00 0.87 H new ATOM 0 HG3 ARG A 13 10.307 17.273 6.966 1.00 0.87 H new ATOM 0 HD2 ARG A 13 11.884 18.595 5.628 1.00 0.97 H new ATOM 0 HD3 ARG A 13 12.462 16.950 5.804 1.00 0.97 H new ATOM 0 HE ARG A 13 12.177 16.586 3.506 1.00 1.24 H new ATOM 0 HH11 ARG A 13 10.690 19.627 4.512 1.00 1.53 H new ATOM 0 HH12 ARG A 13 10.429 20.181 2.855 1.00 1.53 H new ATOM 0 HH21 ARG A 13 11.834 17.306 1.378 1.00 2.38 H new ATOM 0 HH22 ARG A 13 11.073 18.874 1.090 1.00 2.38 H new ATOM 205 N ILE A 14 8.288 12.914 5.967 1.00 0.56 N ATOM 206 CA ILE A 14 8.138 11.501 5.638 1.00 0.50 C ATOM 207 C ILE A 14 8.642 11.176 4.235 1.00 0.44 C ATOM 208 O ILE A 14 8.189 11.747 3.241 1.00 0.48 O ATOM 209 CB ILE A 14 6.674 11.039 5.768 1.00 0.55 C ATOM 210 CG1 ILE A 14 6.180 11.258 7.202 1.00 0.68 C ATOM 211 CG2 ILE A 14 6.547 9.572 5.368 1.00 0.55 C ATOM 212 CD1 ILE A 14 4.803 10.688 7.471 1.00 1.13 C ATOM 0 H ILE A 14 7.440 13.470 5.858 1.00 0.56 H new ATOM 0 HA ILE A 14 8.750 10.961 6.360 1.00 0.50 H new ATOM 0 HB ILE A 14 6.053 11.631 5.096 1.00 0.55 H new ATOM 0 HG12 ILE A 14 6.891 10.806 7.894 1.00 0.68 H new ATOM 0 HG13 ILE A 14 6.167 12.328 7.412 1.00 0.68 H new ATOM 0 HG21 ILE A 14 5.508 9.257 5.464 1.00 0.55 H new ATOM 0 HG22 ILE A 14 6.870 9.447 4.334 1.00 0.55 H new ATOM 0 HG23 ILE A 14 7.173 8.962 6.019 1.00 0.55 H new ATOM 0 HD11 ILE A 14 4.524 10.883 8.507 1.00 1.13 H new ATOM 0 HD12 ILE A 14 4.079 11.157 6.806 1.00 1.13 H new ATOM 0 HD13 ILE A 14 4.814 9.612 7.295 1.00 1.13 H new ATOM 224 N TYR A 15 9.578 10.235 4.184 1.00 0.37 N ATOM 225 CA TYR A 15 10.164 9.783 2.926 1.00 0.32 C ATOM 226 C TYR A 15 10.329 8.268 2.934 1.00 0.26 C ATOM 227 O TYR A 15 10.639 7.674 3.966 1.00 0.24 O ATOM 228 CB TYR A 15 11.512 10.470 2.675 1.00 0.32 C ATOM 229 CG TYR A 15 12.655 9.918 3.502 1.00 0.28 C ATOM 230 CD1 TYR A 15 12.894 10.383 4.791 1.00 0.27 C ATOM 231 CD2 TYR A 15 13.488 8.928 2.998 1.00 0.29 C ATOM 232 CE1 TYR A 15 13.933 9.880 5.549 1.00 0.25 C ATOM 233 CE2 TYR A 15 14.528 8.418 3.752 1.00 0.27 C ATOM 234 CZ TYR A 15 14.760 8.911 5.015 1.00 0.24 C ATOM 235 OH TYR A 15 15.780 8.392 5.780 1.00 0.25 O ATOM 0 H TYR A 15 9.951 9.765 5.009 1.00 0.37 H new ATOM 0 HA TYR A 15 9.489 10.056 2.115 1.00 0.32 H new ATOM 0 HB2 TYR A 15 11.764 10.375 1.619 1.00 0.32 H new ATOM 0 HB3 TYR A 15 11.409 11.535 2.884 1.00 0.32 H new ATOM 0 HD1 TYR A 15 12.257 11.150 5.206 1.00 0.27 H new ATOM 0 HD2 TYR A 15 13.320 8.550 2.000 1.00 0.29 H new ATOM 0 HE1 TYR A 15 14.098 10.242 6.553 1.00 0.25 H new ATOM 0 HE2 TYR A 15 15.156 7.636 3.351 1.00 0.27 H new ATOM 0 HH TYR A 15 16.269 7.720 5.261 1.00 0.25 H new ATOM 245 N TYR A 16 10.112 7.647 1.780 1.00 0.25 N ATOM 246 CA TYR A 16 10.230 6.202 1.660 1.00 0.23 C ATOM 247 C TYR A 16 11.623 5.808 1.194 1.00 0.21 C ATOM 248 O TYR A 16 12.141 6.355 0.223 1.00 0.22 O ATOM 249 CB TYR A 16 9.160 5.673 0.703 1.00 0.27 C ATOM 250 CG TYR A 16 7.754 6.027 1.140 1.00 0.25 C ATOM 251 CD1 TYR A 16 7.477 6.318 2.470 1.00 0.40 C ATOM 252 CD2 TYR A 16 6.708 6.071 0.230 1.00 0.21 C ATOM 253 CE1 TYR A 16 6.203 6.639 2.885 1.00 0.40 C ATOM 254 CE2 TYR A 16 5.426 6.394 0.636 1.00 0.27 C ATOM 255 CZ TYR A 16 5.179 6.677 1.963 1.00 0.30 C ATOM 256 OH TYR A 16 3.904 7.000 2.369 1.00 0.35 O ATOM 0 H TYR A 16 9.854 8.123 0.916 1.00 0.25 H new ATOM 0 HA TYR A 16 10.074 5.753 2.641 1.00 0.23 H new ATOM 0 HB2 TYR A 16 9.338 6.077 -0.293 1.00 0.27 H new ATOM 0 HB3 TYR A 16 9.250 4.589 0.628 1.00 0.27 H new ATOM 0 HD1 TYR A 16 8.278 6.292 3.194 1.00 0.40 H new ATOM 0 HD2 TYR A 16 6.897 5.850 -0.810 1.00 0.21 H new ATOM 0 HE1 TYR A 16 6.008 6.859 3.924 1.00 0.40 H new ATOM 0 HE2 TYR A 16 4.621 6.425 -0.084 1.00 0.27 H new ATOM 0 HH TYR A 16 3.301 6.983 1.597 1.00 0.35 H new ATOM 266 N TYR A 17 12.233 4.878 1.915 1.00 0.21 N ATOM 267 CA TYR A 17 13.578 4.434 1.602 1.00 0.21 C ATOM 268 C TYR A 17 13.620 2.948 1.246 1.00 0.22 C ATOM 269 O TYR A 17 13.217 2.091 2.036 1.00 0.26 O ATOM 270 CB TYR A 17 14.489 4.752 2.796 1.00 0.24 C ATOM 271 CG TYR A 17 15.498 3.681 3.151 1.00 0.23 C ATOM 272 CD1 TYR A 17 16.666 3.520 2.417 1.00 0.27 C ATOM 273 CD2 TYR A 17 15.283 2.841 4.235 1.00 0.34 C ATOM 274 CE1 TYR A 17 17.590 2.548 2.754 1.00 0.35 C ATOM 275 CE2 TYR A 17 16.199 1.868 4.577 1.00 0.42 C ATOM 276 CZ TYR A 17 17.353 1.726 3.834 1.00 0.41 C ATOM 277 OH TYR A 17 18.268 0.758 4.175 1.00 0.54 O ATOM 0 H TYR A 17 11.814 4.417 2.723 1.00 0.21 H new ATOM 0 HA TYR A 17 13.933 4.966 0.720 1.00 0.21 H new ATOM 0 HB2 TYR A 17 15.026 5.676 2.584 1.00 0.24 H new ATOM 0 HB3 TYR A 17 13.863 4.940 3.668 1.00 0.24 H new ATOM 0 HD1 TYR A 17 16.855 4.163 1.571 1.00 0.27 H new ATOM 0 HD2 TYR A 17 14.383 2.951 4.821 1.00 0.34 H new ATOM 0 HE1 TYR A 17 18.493 2.434 2.173 1.00 0.35 H new ATOM 0 HE2 TYR A 17 16.014 1.221 5.422 1.00 0.42 H new ATOM 0 HH TYR A 17 17.948 0.267 4.961 1.00 0.54 H new ATOM 287 N ASN A 18 14.137 2.658 0.053 1.00 0.22 N ATOM 288 CA ASN A 18 14.276 1.288 -0.422 1.00 0.28 C ATOM 289 C ASN A 18 15.467 0.641 0.269 1.00 0.29 C ATOM 290 O ASN A 18 16.577 1.168 0.209 1.00 0.32 O ATOM 291 CB ASN A 18 14.486 1.270 -1.939 1.00 0.35 C ATOM 292 CG ASN A 18 14.419 -0.126 -2.522 1.00 0.56 C ATOM 293 OD1 ASN A 18 14.874 -1.092 -1.910 1.00 0.96 O ATOM 294 ND2 ASN A 18 13.852 -0.241 -3.718 1.00 0.50 N ATOM 0 H ASN A 18 14.468 3.363 -0.605 1.00 0.22 H new ATOM 0 HA ASN A 18 13.367 0.733 -0.190 1.00 0.28 H new ATOM 0 HB2 ASN A 18 13.729 1.894 -2.414 1.00 0.35 H new ATOM 0 HB3 ASN A 18 15.455 1.711 -2.173 1.00 0.35 H new ATOM 0 HD21 ASN A 18 13.781 -1.156 -4.163 1.00 0.50 H new ATOM 0 HD22 ASN A 18 13.487 0.586 -4.191 1.00 0.50 H new ATOM 301 N THR A 19 15.240 -0.488 0.931 1.00 0.39 N ATOM 302 CA THR A 19 16.315 -1.174 1.639 1.00 0.42 C ATOM 303 C THR A 19 16.977 -2.235 0.770 1.00 0.42 C ATOM 304 O THR A 19 18.139 -2.583 0.987 1.00 0.38 O ATOM 305 CB THR A 19 15.809 -1.833 2.937 1.00 0.58 C ATOM 306 OG1 THR A 19 15.418 -3.187 2.679 1.00 0.75 O ATOM 307 CG2 THR A 19 14.632 -1.064 3.520 1.00 0.50 C ATOM 0 H THR A 19 14.330 -0.945 0.992 1.00 0.39 H new ATOM 0 HA THR A 19 17.051 -0.410 1.889 1.00 0.42 H new ATOM 0 HB THR A 19 16.623 -1.819 3.662 1.00 0.58 H new ATOM 0 HG1 THR A 19 15.099 -3.599 3.509 1.00 0.75 H new ATOM 0 HG21 THR A 19 14.296 -1.552 4.435 1.00 0.50 H new ATOM 0 HG22 THR A 19 14.940 -0.043 3.745 1.00 0.50 H new ATOM 0 HG23 THR A 19 13.816 -1.046 2.798 1.00 0.50 H new ATOM 315 N LEU A 20 16.248 -2.741 -0.219 1.00 0.50 N ATOM 316 CA LEU A 20 16.795 -3.751 -1.116 1.00 0.56 C ATOM 317 C LEU A 20 18.015 -3.189 -1.828 1.00 0.57 C ATOM 318 O LEU A 20 19.071 -3.821 -1.880 1.00 0.70 O ATOM 319 CB LEU A 20 15.744 -4.197 -2.142 1.00 0.69 C ATOM 320 CG LEU A 20 14.608 -5.096 -1.617 1.00 0.80 C ATOM 321 CD1 LEU A 20 14.804 -6.533 -2.067 1.00 1.26 C ATOM 322 CD2 LEU A 20 14.492 -5.032 -0.100 1.00 0.98 C ATOM 0 H LEU A 20 15.285 -2.471 -0.418 1.00 0.50 H new ATOM 0 HA LEU A 20 17.085 -4.622 -0.528 1.00 0.56 H new ATOM 0 HB2 LEU A 20 15.298 -3.305 -2.582 1.00 0.69 H new ATOM 0 HB3 LEU A 20 16.255 -4.728 -2.945 1.00 0.69 H new ATOM 0 HG LEU A 20 13.677 -4.718 -2.040 1.00 0.80 H new ATOM 0 HD11 LEU A 20 13.990 -7.148 -1.684 1.00 1.26 H new ATOM 0 HD12 LEU A 20 14.810 -6.576 -3.156 1.00 1.26 H new ATOM 0 HD13 LEU A 20 15.753 -6.908 -1.684 1.00 1.26 H new ATOM 0 HD21 LEU A 20 13.680 -5.679 0.230 1.00 0.98 H new ATOM 0 HD22 LEU A 20 15.427 -5.364 0.351 1.00 0.98 H new ATOM 0 HD23 LEU A 20 14.286 -4.006 0.206 1.00 0.98 H new ATOM 334 N THR A 21 17.860 -1.984 -2.368 1.00 0.52 N ATOM 335 CA THR A 21 18.940 -1.309 -3.073 1.00 0.60 C ATOM 336 C THR A 21 19.524 -0.191 -2.213 1.00 0.52 C ATOM 337 O THR A 21 20.455 0.502 -2.621 1.00 0.59 O ATOM 338 CB THR A 21 18.454 -0.722 -4.410 1.00 0.74 C ATOM 339 OG1 THR A 21 17.701 0.473 -4.176 1.00 0.73 O ATOM 340 CG2 THR A 21 17.592 -1.728 -5.161 1.00 0.84 C ATOM 0 H THR A 21 16.990 -1.453 -2.329 1.00 0.52 H new ATOM 0 HA THR A 21 19.711 -2.052 -3.277 1.00 0.60 H new ATOM 0 HB THR A 21 19.328 -0.488 -5.017 1.00 0.74 H new ATOM 0 HG1 THR A 21 17.397 0.841 -5.032 1.00 0.73 H new ATOM 0 HG21 THR A 21 17.260 -1.291 -6.103 1.00 0.84 H new ATOM 0 HG22 THR A 21 18.174 -2.627 -5.363 1.00 0.84 H new ATOM 0 HG23 THR A 21 16.724 -1.987 -4.555 1.00 0.84 H new ATOM 348 N LYS A 22 18.964 -0.033 -1.012 1.00 0.43 N ATOM 349 CA LYS A 22 19.415 0.988 -0.068 1.00 0.43 C ATOM 350 C LYS A 22 19.271 2.396 -0.647 1.00 0.46 C ATOM 351 O LYS A 22 20.036 3.297 -0.305 1.00 0.66 O ATOM 352 CB LYS A 22 20.870 0.733 0.334 1.00 0.50 C ATOM 353 CG LYS A 22 21.025 -0.331 1.409 1.00 0.58 C ATOM 354 CD LYS A 22 22.415 -0.946 1.386 1.00 1.11 C ATOM 355 CE LYS A 22 22.509 -2.144 2.317 1.00 1.51 C ATOM 356 NZ LYS A 22 23.139 -1.788 3.618 1.00 2.45 N ATOM 0 H LYS A 22 18.192 -0.605 -0.670 1.00 0.43 H new ATOM 0 HA LYS A 22 18.780 0.923 0.815 1.00 0.43 H new ATOM 0 HB2 LYS A 22 21.435 0.432 -0.548 1.00 0.50 H new ATOM 0 HB3 LYS A 22 21.309 1.665 0.691 1.00 0.50 H new ATOM 0 HG2 LYS A 22 20.837 0.109 2.388 1.00 0.58 H new ATOM 0 HG3 LYS A 22 20.278 -1.111 1.261 1.00 0.58 H new ATOM 0 HD2 LYS A 22 22.661 -1.253 0.370 1.00 1.11 H new ATOM 0 HD3 LYS A 22 23.150 -0.197 1.680 1.00 1.11 H new ATOM 0 HE2 LYS A 22 21.511 -2.545 2.495 1.00 1.51 H new ATOM 0 HE3 LYS A 22 23.088 -2.932 1.837 1.00 1.51 H new ATOM 0 HZ1 LYS A 22 23.184 -2.632 4.224 1.00 2.45 H new ATOM 0 HZ2 LYS A 22 24.101 -1.429 3.451 1.00 2.45 H new ATOM 0 HZ3 LYS A 22 22.572 -1.054 4.089 1.00 2.45 H new ATOM 370 N LYS A 23 18.289 2.581 -1.526 1.00 0.42 N ATOM 371 CA LYS A 23 18.054 3.884 -2.151 1.00 0.47 C ATOM 372 C LYS A 23 17.022 4.690 -1.367 1.00 0.35 C ATOM 373 O LYS A 23 16.354 4.159 -0.485 1.00 0.30 O ATOM 374 CB LYS A 23 17.586 3.699 -3.596 1.00 0.61 C ATOM 375 CG LYS A 23 18.701 3.292 -4.544 1.00 0.96 C ATOM 376 CD LYS A 23 18.277 3.440 -5.996 1.00 1.25 C ATOM 377 CE LYS A 23 19.477 3.629 -6.909 1.00 1.69 C ATOM 378 NZ LYS A 23 19.748 5.067 -7.182 1.00 2.27 N ATOM 0 H LYS A 23 17.644 1.849 -1.822 1.00 0.42 H new ATOM 0 HA LYS A 23 18.994 4.436 -2.147 1.00 0.47 H new ATOM 0 HB2 LYS A 23 16.802 2.942 -3.622 1.00 0.61 H new ATOM 0 HB3 LYS A 23 17.141 4.630 -3.948 1.00 0.61 H new ATOM 0 HG2 LYS A 23 19.582 3.906 -4.356 1.00 0.96 H new ATOM 0 HG3 LYS A 23 18.986 2.258 -4.350 1.00 0.96 H new ATOM 0 HD2 LYS A 23 17.719 2.556 -6.305 1.00 1.25 H new ATOM 0 HD3 LYS A 23 17.605 4.292 -6.095 1.00 1.25 H new ATOM 0 HE2 LYS A 23 20.356 3.175 -6.451 1.00 1.69 H new ATOM 0 HE3 LYS A 23 19.302 3.108 -7.850 1.00 1.69 H new ATOM 0 HZ1 LYS A 23 20.574 5.152 -7.808 1.00 2.27 H new ATOM 0 HZ2 LYS A 23 18.919 5.495 -7.642 1.00 2.27 H new ATOM 0 HZ3 LYS A 23 19.940 5.560 -6.287 1.00 2.27 H new ATOM 392 N SER A 24 16.907 5.979 -1.683 1.00 0.36 N ATOM 393 CA SER A 24 15.961 6.850 -0.989 1.00 0.31 C ATOM 394 C SER A 24 14.991 7.526 -1.959 1.00 0.31 C ATOM 395 O SER A 24 15.325 7.770 -3.120 1.00 0.33 O ATOM 396 CB SER A 24 16.713 7.914 -0.187 1.00 0.42 C ATOM 397 OG SER A 24 17.568 7.321 0.773 1.00 1.22 O ATOM 0 H SER A 24 17.453 6.441 -2.410 1.00 0.36 H new ATOM 0 HA SER A 24 15.378 6.224 -0.313 1.00 0.31 H new ATOM 0 HB2 SER A 24 17.298 8.537 -0.863 1.00 0.42 H new ATOM 0 HB3 SER A 24 15.999 8.569 0.313 1.00 0.42 H new ATOM 0 HG SER A 24 18.038 8.023 1.270 1.00 1.22 H new ATOM 403 N THR A 25 13.794 7.833 -1.464 1.00 0.30 N ATOM 404 CA THR A 25 12.768 8.492 -2.266 1.00 0.30 C ATOM 405 C THR A 25 11.755 9.208 -1.374 1.00 0.31 C ATOM 406 O THR A 25 11.725 8.995 -0.160 1.00 0.30 O ATOM 407 CB THR A 25 12.033 7.493 -3.189 1.00 0.30 C ATOM 408 OG1 THR A 25 11.518 8.177 -4.337 1.00 0.35 O ATOM 409 CG2 THR A 25 10.893 6.797 -2.458 1.00 0.25 C ATOM 0 H THR A 25 13.510 7.634 -0.505 1.00 0.30 H new ATOM 0 HA THR A 25 13.276 9.226 -2.892 1.00 0.30 H new ATOM 0 HB THR A 25 12.752 6.736 -3.502 1.00 0.30 H new ATOM 0 HG1 THR A 25 11.055 7.538 -4.918 1.00 0.35 H new ATOM 0 HG21 THR A 25 10.397 6.102 -3.135 1.00 0.25 H new ATOM 0 HG22 THR A 25 11.289 6.250 -1.603 1.00 0.25 H new ATOM 0 HG23 THR A 25 10.175 7.541 -2.112 1.00 0.25 H new ATOM 417 N TRP A 26 10.928 10.061 -1.975 1.00 0.35 N ATOM 418 CA TRP A 26 9.922 10.807 -1.224 1.00 0.39 C ATOM 419 C TRP A 26 8.520 10.530 -1.757 1.00 0.43 C ATOM 420 O TRP A 26 7.528 10.763 -1.066 1.00 0.65 O ATOM 421 CB TRP A 26 10.212 12.308 -1.295 1.00 0.45 C ATOM 422 CG TRP A 26 11.568 12.681 -0.777 1.00 0.47 C ATOM 423 CD1 TRP A 26 12.767 12.488 -1.401 1.00 0.46 C ATOM 424 CD2 TRP A 26 11.864 13.316 0.473 1.00 0.53 C ATOM 425 NE1 TRP A 26 13.790 12.962 -0.616 1.00 0.52 N ATOM 426 CE2 TRP A 26 13.261 13.475 0.540 1.00 0.56 C ATOM 427 CE3 TRP A 26 11.082 13.766 1.541 1.00 0.59 C ATOM 428 CZ2 TRP A 26 13.891 14.065 1.633 1.00 0.64 C ATOM 429 CZ3 TRP A 26 11.710 14.350 2.625 1.00 0.67 C ATOM 430 CH2 TRP A 26 13.102 14.496 2.663 1.00 0.69 C ATOM 0 H TRP A 26 10.935 10.252 -2.977 1.00 0.35 H new ATOM 0 HA TRP A 26 9.969 10.478 -0.186 1.00 0.39 H new ATOM 0 HB2 TRP A 26 10.124 12.638 -2.330 1.00 0.45 H new ATOM 0 HB3 TRP A 26 9.454 12.844 -0.724 1.00 0.45 H new ATOM 0 HD1 TRP A 26 12.893 12.029 -2.371 1.00 0.46 H new ATOM 0 HE1 TRP A 26 14.781 12.936 -0.854 1.00 0.52 H new ATOM 0 HE3 TRP A 26 10.007 13.659 1.519 1.00 0.59 H new ATOM 0 HZ2 TRP A 26 14.965 14.178 1.666 1.00 0.64 H new ATOM 0 HZ3 TRP A 26 11.117 14.700 3.457 1.00 0.67 H new ATOM 0 HH2 TRP A 26 13.562 14.959 3.524 1.00 0.69 H new ATOM 441 N GLU A 27 8.448 10.038 -2.986 1.00 0.32 N ATOM 442 CA GLU A 27 7.169 9.734 -3.614 1.00 0.32 C ATOM 443 C GLU A 27 6.910 8.235 -3.599 1.00 0.27 C ATOM 444 O GLU A 27 7.786 7.441 -3.945 1.00 0.23 O ATOM 445 CB GLU A 27 7.144 10.260 -5.051 1.00 0.35 C ATOM 446 CG GLU A 27 8.224 9.663 -5.938 1.00 1.24 C ATOM 447 CD GLU A 27 8.125 10.137 -7.375 1.00 1.66 C ATOM 448 OE1 GLU A 27 7.223 9.663 -8.096 1.00 2.07 O ATOM 449 OE2 GLU A 27 8.948 10.985 -7.778 1.00 2.09 O ATOM 0 H GLU A 27 9.261 9.840 -3.569 1.00 0.32 H new ATOM 0 HA GLU A 27 6.381 10.228 -3.046 1.00 0.32 H new ATOM 0 HB2 GLU A 27 6.168 10.049 -5.489 1.00 0.35 H new ATOM 0 HB3 GLU A 27 7.258 11.344 -5.034 1.00 0.35 H new ATOM 0 HG2 GLU A 27 9.204 9.926 -5.539 1.00 1.24 H new ATOM 0 HG3 GLU A 27 8.151 8.576 -5.912 1.00 1.24 H new ATOM 456 N LYS A 28 5.710 7.852 -3.185 1.00 0.29 N ATOM 457 CA LYS A 28 5.342 6.446 -3.109 1.00 0.26 C ATOM 458 C LYS A 28 5.314 5.791 -4.486 1.00 0.23 C ATOM 459 O LYS A 28 4.494 6.144 -5.331 1.00 0.24 O ATOM 460 CB LYS A 28 3.971 6.299 -2.448 1.00 0.32 C ATOM 461 CG LYS A 28 3.716 4.914 -1.876 1.00 0.31 C ATOM 462 CD LYS A 28 2.270 4.751 -1.439 1.00 0.43 C ATOM 463 CE LYS A 28 2.173 4.275 0.000 1.00 0.44 C ATOM 464 NZ LYS A 28 0.778 4.342 0.517 1.00 0.90 N ATOM 0 H LYS A 28 4.974 8.497 -2.896 1.00 0.29 H new ATOM 0 HA LYS A 28 6.100 5.942 -2.510 1.00 0.26 H new ATOM 0 HB2 LYS A 28 3.882 7.035 -1.649 1.00 0.32 H new ATOM 0 HB3 LYS A 28 3.197 6.528 -3.181 1.00 0.32 H new ATOM 0 HG2 LYS A 28 3.959 4.160 -2.624 1.00 0.31 H new ATOM 0 HG3 LYS A 28 4.376 4.743 -1.026 1.00 0.31 H new ATOM 0 HD2 LYS A 28 1.748 5.702 -1.545 1.00 0.43 H new ATOM 0 HD3 LYS A 28 1.769 4.038 -2.094 1.00 0.43 H new ATOM 0 HE2 LYS A 28 2.536 3.249 0.068 1.00 0.44 H new ATOM 0 HE3 LYS A 28 2.822 4.885 0.628 1.00 0.44 H new ATOM 0 HZ1 LYS A 28 0.756 4.008 1.502 1.00 0.90 H new ATOM 0 HZ2 LYS A 28 0.440 5.325 0.477 1.00 0.90 H new ATOM 0 HZ3 LYS A 28 0.162 3.740 -0.066 1.00 0.90 H new ATOM 478 N PRO A 29 6.196 4.805 -4.723 1.00 0.25 N ATOM 479 CA PRO A 29 6.239 4.078 -5.996 1.00 0.25 C ATOM 480 C PRO A 29 4.915 3.374 -6.240 1.00 0.25 C ATOM 481 O PRO A 29 4.289 2.909 -5.290 1.00 0.24 O ATOM 482 CB PRO A 29 7.349 3.045 -5.785 1.00 0.27 C ATOM 483 CG PRO A 29 8.159 3.573 -4.655 1.00 0.54 C ATOM 484 CD PRO A 29 7.196 4.301 -3.769 1.00 0.33 C ATOM 0 HA PRO A 29 6.417 4.729 -6.852 1.00 0.25 H new ATOM 0 HB2 PRO A 29 6.935 2.064 -5.549 1.00 0.27 H new ATOM 0 HB3 PRO A 29 7.955 2.928 -6.684 1.00 0.27 H new ATOM 0 HG2 PRO A 29 8.652 2.764 -4.116 1.00 0.54 H new ATOM 0 HG3 PRO A 29 8.942 4.241 -5.014 1.00 0.54 H new ATOM 0 HD2 PRO A 29 6.750 3.640 -3.026 1.00 0.33 H new ATOM 0 HD3 PRO A 29 7.680 5.111 -3.224 1.00 0.33 H new ATOM 492 N LYS A 30 4.448 3.330 -7.483 1.00 0.29 N ATOM 493 CA LYS A 30 3.168 2.716 -7.785 1.00 0.31 C ATOM 494 C LYS A 30 3.092 1.293 -7.266 1.00 0.27 C ATOM 495 O LYS A 30 2.015 0.817 -6.923 1.00 0.25 O ATOM 496 CB LYS A 30 2.909 2.751 -9.293 1.00 0.40 C ATOM 497 CG LYS A 30 3.613 1.643 -10.066 1.00 0.91 C ATOM 498 CD LYS A 30 5.062 1.978 -10.359 1.00 1.38 C ATOM 499 CE LYS A 30 5.218 3.345 -11.012 1.00 2.15 C ATOM 500 NZ LYS A 30 6.563 3.931 -10.761 1.00 2.96 N ATOM 0 H LYS A 30 4.937 3.712 -8.292 1.00 0.29 H new ATOM 0 HA LYS A 30 2.394 3.291 -7.277 1.00 0.31 H new ATOM 0 HB2 LYS A 30 1.836 2.678 -9.469 1.00 0.40 H new ATOM 0 HB3 LYS A 30 3.232 3.716 -9.685 1.00 0.40 H new ATOM 0 HG2 LYS A 30 3.565 0.717 -9.494 1.00 0.91 H new ATOM 0 HG3 LYS A 30 3.086 1.466 -11.004 1.00 0.91 H new ATOM 0 HD2 LYS A 30 5.633 1.954 -9.431 1.00 1.38 H new ATOM 0 HD3 LYS A 30 5.484 1.215 -11.013 1.00 1.38 H new ATOM 0 HE2 LYS A 30 5.056 3.255 -12.086 1.00 2.15 H new ATOM 0 HE3 LYS A 30 4.451 4.019 -10.630 1.00 2.15 H new ATOM 0 HZ1 LYS A 30 6.628 4.861 -11.222 1.00 2.96 H new ATOM 0 HZ2 LYS A 30 6.708 4.041 -9.737 1.00 2.96 H new ATOM 0 HZ3 LYS A 30 7.294 3.301 -11.148 1.00 2.96 H new ATOM 514 N GLU A 31 4.231 0.613 -7.195 1.00 0.27 N ATOM 515 CA GLU A 31 4.273 -0.751 -6.700 1.00 0.27 C ATOM 516 C GLU A 31 3.858 -0.794 -5.236 1.00 0.23 C ATOM 517 O GLU A 31 3.398 -1.816 -4.726 1.00 0.26 O ATOM 518 CB GLU A 31 5.684 -1.295 -6.856 1.00 0.34 C ATOM 519 CG GLU A 31 6.749 -0.286 -6.498 1.00 1.06 C ATOM 520 CD GLU A 31 8.065 -0.543 -7.203 1.00 1.66 C ATOM 521 OE1 GLU A 31 8.666 -1.612 -6.971 1.00 1.54 O ATOM 522 OE2 GLU A 31 8.496 0.328 -7.989 1.00 2.45 O ATOM 0 H GLU A 31 5.137 0.988 -7.475 1.00 0.27 H new ATOM 0 HA GLU A 31 3.579 -1.364 -7.274 1.00 0.27 H new ATOM 0 HB2 GLU A 31 5.799 -2.176 -6.225 1.00 0.34 H new ATOM 0 HB3 GLU A 31 5.830 -1.619 -7.886 1.00 0.34 H new ATOM 0 HG2 GLU A 31 6.396 0.713 -6.752 1.00 1.06 H new ATOM 0 HG3 GLU A 31 6.911 -0.303 -5.420 1.00 1.06 H new ATOM 529 N LEU A 32 4.014 0.347 -4.587 1.00 0.22 N ATOM 530 CA LEU A 32 3.654 0.518 -3.189 1.00 0.24 C ATOM 531 C LEU A 32 2.176 0.893 -3.090 1.00 0.25 C ATOM 532 O LEU A 32 1.410 0.297 -2.332 1.00 0.39 O ATOM 533 CB LEU A 32 4.549 1.606 -2.576 1.00 0.36 C ATOM 534 CG LEU A 32 5.340 1.222 -1.315 1.00 0.49 C ATOM 535 CD1 LEU A 32 4.756 1.912 -0.097 1.00 0.37 C ATOM 536 CD2 LEU A 32 5.375 -0.289 -1.104 1.00 1.19 C ATOM 0 H LEU A 32 4.397 1.188 -5.019 1.00 0.22 H new ATOM 0 HA LEU A 32 3.806 -0.409 -2.637 1.00 0.24 H new ATOM 0 HB2 LEU A 32 5.259 1.931 -3.337 1.00 0.36 H new ATOM 0 HB3 LEU A 32 3.923 2.466 -2.336 1.00 0.36 H new ATOM 0 HG LEU A 32 6.368 1.557 -1.457 1.00 0.49 H new ATOM 0 HD11 LEU A 32 5.326 1.631 0.789 1.00 0.37 H new ATOM 0 HD12 LEU A 32 4.805 2.992 -0.232 1.00 0.37 H new ATOM 0 HD13 LEU A 32 3.717 1.609 0.029 1.00 0.37 H new ATOM 0 HD21 LEU A 32 5.944 -0.517 -0.203 1.00 1.19 H new ATOM 0 HD22 LEU A 32 4.358 -0.665 -0.996 1.00 1.19 H new ATOM 0 HD23 LEU A 32 5.849 -0.765 -1.962 1.00 1.19 H new ATOM 548 N ILE A 33 1.802 1.888 -3.883 1.00 0.26 N ATOM 549 CA ILE A 33 0.424 2.374 -3.936 1.00 0.28 C ATOM 550 C ILE A 33 -0.525 1.293 -4.453 1.00 0.27 C ATOM 551 O ILE A 33 -1.732 1.343 -4.216 1.00 0.32 O ATOM 552 CB ILE A 33 0.296 3.601 -4.860 1.00 0.30 C ATOM 553 CG1 ILE A 33 1.341 4.658 -4.517 1.00 0.30 C ATOM 554 CG2 ILE A 33 -1.103 4.192 -4.766 1.00 0.31 C ATOM 555 CD1 ILE A 33 1.698 5.540 -5.690 1.00 0.36 C ATOM 0 H ILE A 33 2.440 2.382 -4.507 1.00 0.26 H new ATOM 0 HA ILE A 33 0.154 2.649 -2.916 1.00 0.28 H new ATOM 0 HB ILE A 33 0.471 3.271 -5.884 1.00 0.30 H new ATOM 0 HG12 ILE A 33 0.967 5.279 -3.703 1.00 0.30 H new ATOM 0 HG13 ILE A 33 2.242 4.165 -4.153 1.00 0.30 H new ATOM 0 HG21 ILE A 33 -1.177 5.058 -5.424 1.00 0.31 H new ATOM 0 HG22 ILE A 33 -1.835 3.443 -5.067 1.00 0.31 H new ATOM 0 HG23 ILE A 33 -1.300 4.499 -3.739 1.00 0.31 H new ATOM 0 HD11 ILE A 33 2.446 6.271 -5.381 1.00 0.36 H new ATOM 0 HD12 ILE A 33 2.101 4.927 -6.497 1.00 0.36 H new ATOM 0 HD13 ILE A 33 0.806 6.059 -6.040 1.00 0.36 H new ATOM 567 N SER A 34 0.031 0.335 -5.187 1.00 0.24 N ATOM 568 CA SER A 34 -0.759 -0.743 -5.778 1.00 0.25 C ATOM 569 C SER A 34 -1.003 -1.903 -4.827 1.00 0.25 C ATOM 570 O SER A 34 -1.851 -2.737 -5.105 1.00 0.26 O ATOM 571 CB SER A 34 -0.123 -1.258 -7.062 1.00 0.25 C ATOM 572 OG SER A 34 1.228 -1.631 -6.856 1.00 0.26 O ATOM 0 H SER A 34 1.030 0.282 -5.388 1.00 0.24 H new ATOM 0 HA SER A 34 -1.729 -0.301 -6.005 1.00 0.25 H new ATOM 0 HB2 SER A 34 -0.687 -2.115 -7.431 1.00 0.25 H new ATOM 0 HB3 SER A 34 -0.176 -0.487 -7.831 1.00 0.25 H new ATOM 0 HG SER A 34 1.783 -0.826 -6.791 1.00 0.26 H new ATOM 578 N GLN A 35 -0.251 -1.987 -3.738 1.00 0.23 N ATOM 579 CA GLN A 35 -0.429 -3.085 -2.786 1.00 0.23 C ATOM 580 C GLN A 35 -1.631 -2.823 -1.881 1.00 0.23 C ATOM 581 O GLN A 35 -2.543 -3.644 -1.789 1.00 0.24 O ATOM 582 CB GLN A 35 0.835 -3.276 -1.941 1.00 0.23 C ATOM 583 CG GLN A 35 0.611 -4.081 -0.670 1.00 0.28 C ATOM 584 CD GLN A 35 1.350 -5.404 -0.678 1.00 0.36 C ATOM 585 OE1 GLN A 35 2.316 -5.593 0.061 1.00 0.56 O ATOM 586 NE2 GLN A 35 0.899 -6.331 -1.516 1.00 0.65 N ATOM 0 H GLN A 35 0.480 -1.320 -3.490 1.00 0.23 H new ATOM 0 HA GLN A 35 -0.612 -3.998 -3.352 1.00 0.23 H new ATOM 0 HB2 GLN A 35 1.593 -3.774 -2.546 1.00 0.23 H new ATOM 0 HB3 GLN A 35 1.233 -2.297 -1.674 1.00 0.23 H new ATOM 0 HG2 GLN A 35 0.935 -3.494 0.189 1.00 0.28 H new ATOM 0 HG3 GLN A 35 -0.456 -4.266 -0.545 1.00 0.28 H new ATOM 0 HE21 GLN A 35 0.095 -6.133 -2.111 1.00 0.65 H new ATOM 0 HE22 GLN A 35 1.357 -7.241 -1.564 1.00 0.65 H new ATOM 595 N GLU A 36 -1.616 -1.677 -1.204 1.00 0.23 N ATOM 596 CA GLU A 36 -2.699 -1.305 -0.297 1.00 0.24 C ATOM 597 C GLU A 36 -4.045 -1.409 -1.003 1.00 0.23 C ATOM 598 O GLU A 36 -5.041 -1.834 -0.416 1.00 0.24 O ATOM 599 CB GLU A 36 -2.493 0.115 0.232 1.00 0.26 C ATOM 600 CG GLU A 36 -2.186 0.172 1.720 1.00 1.04 C ATOM 601 CD GLU A 36 -1.374 1.392 2.103 1.00 1.71 C ATOM 602 OE1 GLU A 36 -1.979 2.461 2.325 1.00 2.41 O ATOM 603 OE2 GLU A 36 -0.133 1.278 2.180 1.00 2.12 O ATOM 0 H GLU A 36 -0.865 -0.990 -1.267 1.00 0.23 H new ATOM 0 HA GLU A 36 -2.691 -1.996 0.546 1.00 0.24 H new ATOM 0 HB2 GLU A 36 -1.676 0.583 -0.317 1.00 0.26 H new ATOM 0 HB3 GLU A 36 -3.389 0.702 0.032 1.00 0.26 H new ATOM 0 HG2 GLU A 36 -3.121 0.173 2.280 1.00 1.04 H new ATOM 0 HG3 GLU A 36 -1.642 -0.727 2.009 1.00 1.04 H new ATOM 610 N GLU A 37 -4.057 -1.024 -2.272 1.00 0.23 N ATOM 611 CA GLU A 37 -5.265 -1.074 -3.086 1.00 0.25 C ATOM 612 C GLU A 37 -5.721 -2.517 -3.285 1.00 0.24 C ATOM 613 O GLU A 37 -6.914 -2.800 -3.441 1.00 0.26 O ATOM 614 CB GLU A 37 -4.980 -0.427 -4.449 1.00 0.26 C ATOM 615 CG GLU A 37 -5.783 0.827 -4.713 1.00 0.31 C ATOM 616 CD GLU A 37 -7.175 0.531 -5.237 1.00 0.33 C ATOM 617 OE1 GLU A 37 -7.895 -0.262 -4.595 1.00 0.99 O ATOM 618 OE2 GLU A 37 -7.545 1.089 -6.292 1.00 0.80 O ATOM 0 H GLU A 37 -3.236 -0.671 -2.764 1.00 0.23 H new ATOM 0 HA GLU A 37 -6.060 -0.530 -2.576 1.00 0.25 H new ATOM 0 HB2 GLU A 37 -3.919 -0.187 -4.511 1.00 0.26 H new ATOM 0 HB3 GLU A 37 -5.189 -1.153 -5.235 1.00 0.26 H new ATOM 0 HG2 GLU A 37 -5.861 1.404 -3.792 1.00 0.31 H new ATOM 0 HG3 GLU A 37 -5.252 1.448 -5.434 1.00 0.31 H new ATOM 625 N LEU A 38 -4.748 -3.417 -3.302 1.00 0.24 N ATOM 626 CA LEU A 38 -4.993 -4.832 -3.514 1.00 0.26 C ATOM 627 C LEU A 38 -5.440 -5.512 -2.234 1.00 0.27 C ATOM 628 O LEU A 38 -6.029 -6.588 -2.273 1.00 0.30 O ATOM 629 CB LEU A 38 -3.730 -5.501 -4.058 1.00 0.26 C ATOM 630 CG LEU A 38 -3.956 -6.511 -5.186 1.00 0.32 C ATOM 631 CD1 LEU A 38 -4.984 -7.558 -4.786 1.00 0.60 C ATOM 632 CD2 LEU A 38 -4.395 -5.796 -6.456 1.00 0.69 C ATOM 0 H LEU A 38 -3.764 -3.183 -3.168 1.00 0.24 H new ATOM 0 HA LEU A 38 -5.797 -4.934 -4.243 1.00 0.26 H new ATOM 0 HB2 LEU A 38 -3.054 -4.725 -4.418 1.00 0.26 H new ATOM 0 HB3 LEU A 38 -3.224 -6.007 -3.236 1.00 0.26 H new ATOM 0 HG LEU A 38 -3.012 -7.021 -5.377 1.00 0.32 H new ATOM 0 HD11 LEU A 38 -5.124 -8.262 -5.606 1.00 0.60 H new ATOM 0 HD12 LEU A 38 -4.633 -8.094 -3.904 1.00 0.60 H new ATOM 0 HD13 LEU A 38 -5.932 -7.070 -4.561 1.00 0.60 H new ATOM 0 HD21 LEU A 38 -4.552 -6.527 -7.249 1.00 0.69 H new ATOM 0 HD22 LEU A 38 -5.325 -5.259 -6.268 1.00 0.69 H new ATOM 0 HD23 LEU A 38 -3.623 -5.089 -6.761 1.00 0.69 H new ATOM 644 N LEU A 39 -5.189 -4.875 -1.098 1.00 0.25 N ATOM 645 CA LEU A 39 -5.618 -5.432 0.172 1.00 0.26 C ATOM 646 C LEU A 39 -7.026 -4.966 0.423 1.00 0.26 C ATOM 647 O LEU A 39 -7.871 -5.699 0.935 1.00 0.27 O ATOM 648 CB LEU A 39 -4.698 -5.004 1.315 1.00 0.27 C ATOM 649 CG LEU A 39 -3.212 -5.274 1.088 1.00 0.33 C ATOM 650 CD1 LEU A 39 -2.373 -4.346 1.950 1.00 0.34 C ATOM 651 CD2 LEU A 39 -2.884 -6.728 1.387 1.00 0.40 C ATOM 0 H LEU A 39 -4.697 -3.984 -1.032 1.00 0.25 H new ATOM 0 HA LEU A 39 -5.575 -6.520 0.127 1.00 0.26 H new ATOM 0 HB2 LEU A 39 -4.835 -3.937 1.490 1.00 0.27 H new ATOM 0 HB3 LEU A 39 -5.010 -5.519 2.224 1.00 0.27 H new ATOM 0 HG LEU A 39 -2.977 -5.080 0.041 1.00 0.33 H new ATOM 0 HD11 LEU A 39 -1.316 -4.548 1.779 1.00 0.34 H new ATOM 0 HD12 LEU A 39 -2.591 -3.310 1.689 1.00 0.34 H new ATOM 0 HD13 LEU A 39 -2.609 -4.513 3.001 1.00 0.34 H new ATOM 0 HD21 LEU A 39 -1.821 -6.903 1.220 1.00 0.40 H new ATOM 0 HD22 LEU A 39 -3.130 -6.950 2.425 1.00 0.40 H new ATOM 0 HD23 LEU A 39 -3.466 -7.375 0.730 1.00 0.40 H new ATOM 663 N LEU A 40 -7.264 -3.738 0.004 1.00 0.24 N ATOM 664 CA LEU A 40 -8.562 -3.129 0.110 1.00 0.25 C ATOM 665 C LEU A 40 -9.579 -4.067 -0.524 1.00 0.27 C ATOM 666 O LEU A 40 -10.553 -4.468 0.111 1.00 0.29 O ATOM 667 CB LEU A 40 -8.528 -1.782 -0.610 1.00 0.25 C ATOM 668 CG LEU A 40 -8.797 -0.539 0.252 1.00 0.27 C ATOM 669 CD1 LEU A 40 -8.270 -0.719 1.670 1.00 0.28 C ATOM 670 CD2 LEU A 40 -8.165 0.686 -0.391 1.00 0.29 C ATOM 0 H LEU A 40 -6.556 -3.139 -0.420 1.00 0.24 H new ATOM 0 HA LEU A 40 -8.840 -2.958 1.150 1.00 0.25 H new ATOM 0 HB2 LEU A 40 -7.549 -1.669 -1.077 1.00 0.25 H new ATOM 0 HB3 LEU A 40 -9.264 -1.806 -1.414 1.00 0.25 H new ATOM 0 HG LEU A 40 -9.876 -0.399 0.313 1.00 0.27 H new ATOM 0 HD11 LEU A 40 -8.477 0.179 2.252 1.00 0.28 H new ATOM 0 HD12 LEU A 40 -8.761 -1.574 2.135 1.00 0.28 H new ATOM 0 HD13 LEU A 40 -7.194 -0.891 1.639 1.00 0.28 H new ATOM 0 HD21 LEU A 40 -8.360 1.563 0.226 1.00 0.29 H new ATOM 0 HD22 LEU A 40 -7.089 0.537 -0.479 1.00 0.29 H new ATOM 0 HD23 LEU A 40 -8.592 0.838 -1.382 1.00 0.29 H new ATOM 682 N ARG A 41 -9.335 -4.400 -1.791 1.00 0.28 N ATOM 683 CA ARG A 41 -10.196 -5.274 -2.562 1.00 0.33 C ATOM 684 C ARG A 41 -10.562 -6.555 -1.807 1.00 0.35 C ATOM 685 O ARG A 41 -11.733 -6.925 -1.719 1.00 0.36 O ATOM 686 CB ARG A 41 -9.469 -5.631 -3.858 1.00 0.34 C ATOM 687 CG ARG A 41 -10.178 -6.685 -4.663 1.00 0.78 C ATOM 688 CD ARG A 41 -9.420 -7.030 -5.935 1.00 1.44 C ATOM 689 NE ARG A 41 -9.599 -8.428 -6.319 1.00 2.09 N ATOM 690 CZ ARG A 41 -8.967 -9.442 -5.734 1.00 2.87 C ATOM 691 NH1 ARG A 41 -8.121 -9.215 -4.737 1.00 3.32 N ATOM 692 NH2 ARG A 41 -9.180 -10.683 -6.145 1.00 3.63 N ATOM 0 H ARG A 41 -8.524 -4.063 -2.310 1.00 0.28 H new ATOM 0 HA ARG A 41 -11.130 -4.749 -2.761 1.00 0.33 H new ATOM 0 HB2 ARG A 41 -9.359 -4.732 -4.465 1.00 0.34 H new ATOM 0 HB3 ARG A 41 -8.464 -5.980 -3.619 1.00 0.34 H new ATOM 0 HG2 ARG A 41 -10.300 -7.583 -4.058 1.00 0.78 H new ATOM 0 HG3 ARG A 41 -11.178 -6.335 -4.919 1.00 0.78 H new ATOM 0 HD2 ARG A 41 -9.760 -6.385 -6.745 1.00 1.44 H new ATOM 0 HD3 ARG A 41 -8.359 -6.827 -5.791 1.00 1.44 H new ATOM 0 HE ARG A 41 -10.246 -8.639 -7.079 1.00 2.09 H new ATOM 0 HH11 ARG A 41 -7.954 -8.261 -4.417 1.00 3.32 H new ATOM 0 HH12 ARG A 41 -7.638 -9.995 -4.290 1.00 3.32 H new ATOM 0 HH21 ARG A 41 -9.829 -10.862 -6.911 1.00 3.63 H new ATOM 0 HH22 ARG A 41 -8.695 -11.459 -5.696 1.00 3.63 H new ATOM 706 N GLU A 42 -9.544 -7.236 -1.296 1.00 0.38 N ATOM 707 CA GLU A 42 -9.713 -8.495 -0.576 1.00 0.41 C ATOM 708 C GLU A 42 -10.811 -8.425 0.482 1.00 0.37 C ATOM 709 O GLU A 42 -11.403 -9.447 0.834 1.00 0.43 O ATOM 710 CB GLU A 42 -8.394 -8.898 0.082 1.00 0.45 C ATOM 711 CG GLU A 42 -7.900 -10.273 -0.333 1.00 0.60 C ATOM 712 CD GLU A 42 -7.804 -11.234 0.835 1.00 0.73 C ATOM 713 OE1 GLU A 42 -6.750 -11.249 1.507 1.00 1.14 O ATOM 714 OE2 GLU A 42 -8.782 -11.970 1.081 1.00 0.85 O ATOM 0 H GLU A 42 -8.574 -6.931 -1.369 1.00 0.38 H new ATOM 0 HA GLU A 42 -10.015 -9.244 -1.309 1.00 0.41 H new ATOM 0 HB2 GLU A 42 -7.633 -8.158 -0.166 1.00 0.45 H new ATOM 0 HB3 GLU A 42 -8.517 -8.877 1.165 1.00 0.45 H new ATOM 0 HG2 GLU A 42 -8.574 -10.686 -1.084 1.00 0.60 H new ATOM 0 HG3 GLU A 42 -6.921 -10.177 -0.801 1.00 0.60 H new ATOM 721 N ASN A 43 -11.072 -7.233 1.003 1.00 0.35 N ATOM 722 CA ASN A 43 -12.091 -7.076 2.034 1.00 0.34 C ATOM 723 C ASN A 43 -13.271 -6.234 1.551 1.00 0.35 C ATOM 724 O ASN A 43 -14.360 -6.305 2.121 1.00 0.37 O ATOM 725 CB ASN A 43 -11.476 -6.457 3.288 1.00 0.30 C ATOM 726 CG ASN A 43 -10.020 -6.838 3.467 1.00 0.30 C ATOM 727 OD1 ASN A 43 -9.125 -5.897 3.186 1.00 0.39 O flip ATOM 728 ND2 ASN A 43 -9.701 -7.962 3.852 1.00 0.28 N flip ATOM 0 H ASN A 43 -10.599 -6.370 0.733 1.00 0.35 H new ATOM 0 HA ASN A 43 -12.476 -8.068 2.271 1.00 0.34 H new ATOM 0 HB2 ASN A 43 -11.560 -5.372 3.233 1.00 0.30 H new ATOM 0 HB3 ASN A 43 -12.042 -6.777 4.163 1.00 0.30 H new ATOM 0 HD21 ASN A 43 -10.421 -8.655 4.057 1.00 0.28 H new ATOM 0 HD22 ASN A 43 -8.716 -8.201 3.967 1.00 0.28 H new ATOM 735 N GLY A 44 -13.065 -5.447 0.496 1.00 0.35 N ATOM 736 CA GLY A 44 -14.149 -4.628 -0.023 1.00 0.39 C ATOM 737 C GLY A 44 -14.095 -3.182 0.445 1.00 0.37 C ATOM 738 O GLY A 44 -15.136 -2.564 0.661 1.00 0.40 O ATOM 0 H GLY A 44 -12.179 -5.362 -0.003 1.00 0.35 H new ATOM 0 HA2 GLY A 44 -14.121 -4.650 -1.112 1.00 0.39 H new ATOM 0 HA3 GLY A 44 -15.101 -5.064 0.280 1.00 0.39 H new ATOM 742 N TRP A 45 -12.892 -2.632 0.584 1.00 0.34 N ATOM 743 CA TRP A 45 -12.737 -1.241 1.012 1.00 0.36 C ATOM 744 C TRP A 45 -12.327 -0.361 -0.164 1.00 0.39 C ATOM 745 O TRP A 45 -11.861 -0.855 -1.190 1.00 0.43 O ATOM 746 CB TRP A 45 -11.693 -1.128 2.124 1.00 0.34 C ATOM 747 CG TRP A 45 -12.203 -1.529 3.474 1.00 0.32 C ATOM 748 CD1 TRP A 45 -12.141 -2.770 4.031 1.00 0.55 C ATOM 749 CD2 TRP A 45 -12.847 -0.688 4.440 1.00 0.27 C ATOM 750 NE1 TRP A 45 -12.710 -2.759 5.281 1.00 0.59 N ATOM 751 CE2 TRP A 45 -13.150 -1.492 5.555 1.00 0.44 C ATOM 752 CE3 TRP A 45 -13.196 0.664 4.472 1.00 0.34 C ATOM 753 CZ2 TRP A 45 -13.786 -0.991 6.686 1.00 0.54 C ATOM 754 CZ3 TRP A 45 -13.828 1.162 5.596 1.00 0.51 C ATOM 755 CH2 TRP A 45 -14.117 0.336 6.689 1.00 0.56 C ATOM 0 H TRP A 45 -12.015 -3.122 0.409 1.00 0.34 H new ATOM 0 HA TRP A 45 -13.699 -0.900 1.395 1.00 0.36 H new ATOM 0 HB2 TRP A 45 -10.836 -1.751 1.870 1.00 0.34 H new ATOM 0 HB3 TRP A 45 -11.336 -0.099 2.171 1.00 0.34 H new ATOM 0 HD1 TRP A 45 -11.707 -3.638 3.558 1.00 0.55 H new ATOM 0 HE1 TRP A 45 -12.791 -3.563 5.903 1.00 0.59 H new ATOM 0 HE3 TRP A 45 -12.976 1.309 3.634 1.00 0.34 H new ATOM 0 HZ2 TRP A 45 -14.010 -1.626 7.530 1.00 0.54 H new ATOM 0 HZ3 TRP A 45 -14.103 2.206 5.632 1.00 0.51 H new ATOM 0 HH2 TRP A 45 -14.612 0.756 7.553 1.00 0.56 H new ATOM 766 N LYS A 46 -12.491 0.949 -0.002 1.00 0.41 N ATOM 767 CA LYS A 46 -12.126 1.897 -1.049 1.00 0.50 C ATOM 768 C LYS A 46 -11.340 3.066 -0.471 1.00 0.51 C ATOM 769 O LYS A 46 -11.410 3.345 0.725 1.00 0.47 O ATOM 770 CB LYS A 46 -13.366 2.427 -1.766 1.00 0.59 C ATOM 771 CG LYS A 46 -14.166 1.355 -2.485 1.00 1.22 C ATOM 772 CD LYS A 46 -14.046 1.495 -3.994 1.00 1.73 C ATOM 773 CE LYS A 46 -15.410 1.580 -4.659 1.00 2.80 C ATOM 774 NZ LYS A 46 -15.963 0.234 -4.967 1.00 3.65 N ATOM 0 H LYS A 46 -12.873 1.377 0.842 1.00 0.41 H new ATOM 0 HA LYS A 46 -11.502 1.365 -1.767 1.00 0.50 H new ATOM 0 HB2 LYS A 46 -14.010 2.921 -1.039 1.00 0.59 H new ATOM 0 HB3 LYS A 46 -13.060 3.184 -2.488 1.00 0.59 H new ATOM 0 HG2 LYS A 46 -13.814 0.370 -2.180 1.00 1.22 H new ATOM 0 HG3 LYS A 46 -15.214 1.423 -2.193 1.00 1.22 H new ATOM 0 HD2 LYS A 46 -13.468 2.388 -4.232 1.00 1.73 H new ATOM 0 HD3 LYS A 46 -13.497 0.644 -4.396 1.00 1.73 H new ATOM 0 HE2 LYS A 46 -16.099 2.115 -4.006 1.00 2.80 H new ATOM 0 HE3 LYS A 46 -15.330 2.158 -5.579 1.00 2.80 H new ATOM 0 HZ1 LYS A 46 -16.894 0.336 -5.420 1.00 3.65 H new ATOM 0 HZ2 LYS A 46 -15.318 -0.267 -5.611 1.00 3.65 H new ATOM 0 HZ3 LYS A 46 -16.064 -0.310 -4.086 1.00 3.65 H new ATOM 788 N ALA A 47 -10.591 3.740 -1.332 1.00 0.58 N ATOM 789 CA ALA A 47 -9.783 4.878 -0.917 1.00 0.63 C ATOM 790 C ALA A 47 -10.206 6.153 -1.634 1.00 0.70 C ATOM 791 O ALA A 47 -10.461 6.146 -2.839 1.00 0.75 O ATOM 792 CB ALA A 47 -8.308 4.599 -1.169 1.00 0.71 C ATOM 0 H ALA A 47 -10.526 3.518 -2.325 1.00 0.58 H new ATOM 0 HA ALA A 47 -9.941 5.026 0.151 1.00 0.63 H new ATOM 0 HB1 ALA A 47 -7.716 5.458 -0.854 1.00 0.71 H new ATOM 0 HB2 ALA A 47 -8.002 3.720 -0.602 1.00 0.71 H new ATOM 0 HB3 ALA A 47 -8.148 4.419 -2.232 1.00 0.71 H new ATOM 798 N ALA A 48 -10.273 7.246 -0.885 1.00 0.74 N ATOM 799 CA ALA A 48 -10.657 8.535 -1.440 1.00 0.84 C ATOM 800 C ALA A 48 -10.027 9.670 -0.641 1.00 0.94 C ATOM 801 O ALA A 48 -9.366 9.433 0.370 1.00 0.92 O ATOM 802 CB ALA A 48 -12.173 8.670 -1.460 1.00 0.79 C ATOM 0 H ALA A 48 -10.065 7.264 0.113 1.00 0.74 H new ATOM 0 HA ALA A 48 -10.291 8.595 -2.465 1.00 0.84 H new ATOM 0 HB1 ALA A 48 -12.447 9.639 -1.878 1.00 0.79 H new ATOM 0 HB2 ALA A 48 -12.601 7.877 -2.073 1.00 0.79 H new ATOM 0 HB3 ALA A 48 -12.559 8.591 -0.444 1.00 0.79 H new ATOM 808 N LYS A 49 -10.236 10.901 -1.093 1.00 1.06 N ATOM 809 CA LYS A 49 -9.688 12.065 -0.409 1.00 1.18 C ATOM 810 C LYS A 49 -10.740 13.159 -0.275 1.00 1.27 C ATOM 811 O LYS A 49 -11.713 13.198 -1.028 1.00 1.27 O ATOM 812 CB LYS A 49 -8.467 12.612 -1.151 1.00 1.31 C ATOM 813 CG LYS A 49 -7.361 13.103 -0.232 1.00 1.36 C ATOM 814 CD LYS A 49 -5.999 13.032 -0.907 1.00 1.44 C ATOM 815 CE LYS A 49 -5.591 11.595 -1.202 1.00 1.33 C ATOM 816 NZ LYS A 49 -4.782 11.494 -2.450 1.00 1.82 N ATOM 0 H LYS A 49 -10.780 11.118 -1.928 1.00 1.06 H new ATOM 0 HA LYS A 49 -9.379 11.747 0.587 1.00 1.18 H new ATOM 0 HB2 LYS A 49 -8.068 11.832 -1.800 1.00 1.31 H new ATOM 0 HB3 LYS A 49 -8.782 13.433 -1.795 1.00 1.31 H new ATOM 0 HG2 LYS A 49 -7.566 14.131 0.068 1.00 1.36 H new ATOM 0 HG3 LYS A 49 -7.349 12.502 0.677 1.00 1.36 H new ATOM 0 HD2 LYS A 49 -6.023 13.601 -1.836 1.00 1.44 H new ATOM 0 HD3 LYS A 49 -5.251 13.499 -0.266 1.00 1.44 H new ATOM 0 HE2 LYS A 49 -5.017 11.201 -0.364 1.00 1.33 H new ATOM 0 HE3 LYS A 49 -6.483 10.976 -1.296 1.00 1.33 H new ATOM 0 HZ1 LYS A 49 -4.524 10.501 -2.617 1.00 1.82 H new ATOM 0 HZ2 LYS A 49 -5.339 11.847 -3.254 1.00 1.82 H new ATOM 0 HZ3 LYS A 49 -3.918 12.064 -2.351 1.00 1.82 H new ATOM 830 N THR A 50 -10.534 14.040 0.694 1.00 1.36 N ATOM 831 CA THR A 50 -11.453 15.136 0.947 1.00 1.47 C ATOM 832 C THR A 50 -10.978 16.410 0.258 1.00 1.62 C ATOM 833 O THR A 50 -9.907 16.432 -0.348 1.00 1.64 O ATOM 834 CB THR A 50 -11.577 15.411 2.457 1.00 1.47 C ATOM 835 OG1 THR A 50 -10.381 16.032 2.936 1.00 1.51 O ATOM 836 CG2 THR A 50 -11.834 14.123 3.226 1.00 1.34 C ATOM 0 H THR A 50 -9.730 14.014 1.322 1.00 1.36 H new ATOM 0 HA THR A 50 -12.424 14.844 0.548 1.00 1.47 H new ATOM 0 HB THR A 50 -12.423 16.079 2.616 1.00 1.47 H new ATOM 0 HG1 THR A 50 -10.613 16.823 3.466 1.00 1.51 H new ATOM 0 HG21 THR A 50 -11.918 14.345 4.290 1.00 1.34 H new ATOM 0 HG22 THR A 50 -12.761 13.669 2.876 1.00 1.34 H new ATOM 0 HG23 THR A 50 -11.008 13.431 3.064 1.00 1.34 H new ATOM 844 N ALA A 51 -11.767 17.472 0.370 1.00 1.74 N ATOM 845 CA ALA A 51 -11.406 18.748 -0.229 1.00 1.90 C ATOM 846 C ALA A 51 -10.136 19.288 0.417 1.00 2.01 C ATOM 847 O ALA A 51 -9.393 20.059 -0.188 1.00 2.29 O ATOM 848 CB ALA A 51 -12.545 19.746 -0.084 1.00 1.99 C ATOM 0 H ALA A 51 -12.657 17.474 0.868 1.00 1.74 H new ATOM 0 HA ALA A 51 -11.219 18.596 -1.292 1.00 1.90 H new ATOM 0 HB1 ALA A 51 -12.258 20.695 -0.538 1.00 1.99 H new ATOM 0 HB2 ALA A 51 -13.433 19.359 -0.584 1.00 1.99 H new ATOM 0 HB3 ALA A 51 -12.761 19.900 0.973 1.00 1.99 H new ATOM 854 N ASP A 52 -9.901 18.865 1.656 1.00 1.82 N ATOM 855 CA ASP A 52 -8.725 19.290 2.406 1.00 1.90 C ATOM 856 C ASP A 52 -7.599 18.268 2.274 1.00 1.81 C ATOM 857 O ASP A 52 -6.686 18.226 3.098 1.00 1.82 O ATOM 858 CB ASP A 52 -9.079 19.486 3.882 1.00 1.92 C ATOM 859 CG ASP A 52 -8.247 20.571 4.536 1.00 2.03 C ATOM 860 OD1 ASP A 52 -7.127 20.263 4.997 1.00 2.45 O ATOM 861 OD2 ASP A 52 -8.713 21.728 4.590 1.00 1.97 O ATOM 0 H ASP A 52 -10.513 18.225 2.163 1.00 1.82 H new ATOM 0 HA ASP A 52 -8.383 20.239 1.992 1.00 1.90 H new ATOM 0 HB2 ASP A 52 -10.135 19.740 3.969 1.00 1.92 H new ATOM 0 HB3 ASP A 52 -8.932 18.547 4.416 1.00 1.92 H new ATOM 866 N GLY A 53 -7.666 17.451 1.225 1.00 1.73 N ATOM 867 CA GLY A 53 -6.644 16.449 0.995 1.00 1.66 C ATOM 868 C GLY A 53 -6.678 15.320 2.007 1.00 1.53 C ATOM 869 O GLY A 53 -5.819 14.438 1.980 1.00 1.55 O ATOM 0 H GLY A 53 -8.413 17.467 0.530 1.00 1.73 H new ATOM 0 HA2 GLY A 53 -6.768 16.035 -0.006 1.00 1.66 H new ATOM 0 HA3 GLY A 53 -5.664 16.925 1.024 1.00 1.66 H new ATOM 873 N LYS A 54 -7.668 15.335 2.897 1.00 1.43 N ATOM 874 CA LYS A 54 -7.784 14.286 3.894 1.00 1.32 C ATOM 875 C LYS A 54 -8.100 12.959 3.226 1.00 1.19 C ATOM 876 O LYS A 54 -9.098 12.825 2.525 1.00 1.20 O ATOM 877 CB LYS A 54 -8.847 14.637 4.920 1.00 1.33 C ATOM 878 CG LYS A 54 -8.558 15.932 5.637 1.00 1.57 C ATOM 879 CD LYS A 54 -9.842 16.626 6.040 1.00 1.57 C ATOM 880 CE LYS A 54 -9.764 17.173 7.455 1.00 1.53 C ATOM 881 NZ LYS A 54 -9.829 16.089 8.475 1.00 1.92 N ATOM 0 H LYS A 54 -8.390 16.054 2.945 1.00 1.43 H new ATOM 0 HA LYS A 54 -6.830 14.194 4.413 1.00 1.32 H new ATOM 0 HB2 LYS A 54 -9.815 14.709 4.424 1.00 1.33 H new ATOM 0 HB3 LYS A 54 -8.922 13.831 5.650 1.00 1.33 H new ATOM 0 HG2 LYS A 54 -7.953 15.735 6.522 1.00 1.57 H new ATOM 0 HG3 LYS A 54 -7.973 16.587 4.991 1.00 1.57 H new ATOM 0 HD2 LYS A 54 -10.049 17.440 5.346 1.00 1.57 H new ATOM 0 HD3 LYS A 54 -10.673 15.925 5.966 1.00 1.57 H new ATOM 0 HE2 LYS A 54 -8.836 17.731 7.578 1.00 1.53 H new ATOM 0 HE3 LYS A 54 -10.582 17.875 7.618 1.00 1.53 H new ATOM 0 HZ1 LYS A 54 -10.389 16.412 9.290 1.00 1.92 H new ATOM 0 HZ2 LYS A 54 -10.276 15.247 8.059 1.00 1.92 H new ATOM 0 HZ3 LYS A 54 -8.867 15.850 8.790 1.00 1.92 H new ATOM 895 N VAL A 55 -7.243 11.980 3.454 1.00 1.09 N ATOM 896 CA VAL A 55 -7.438 10.662 2.869 1.00 0.99 C ATOM 897 C VAL A 55 -8.326 9.806 3.761 1.00 0.88 C ATOM 898 O VAL A 55 -7.969 9.508 4.901 1.00 0.90 O ATOM 899 CB VAL A 55 -6.097 9.936 2.641 1.00 0.98 C ATOM 900 CG1 VAL A 55 -6.255 8.841 1.598 1.00 0.93 C ATOM 901 CG2 VAL A 55 -5.018 10.926 2.227 1.00 1.14 C ATOM 0 H VAL A 55 -6.410 12.069 4.036 1.00 1.09 H new ATOM 0 HA VAL A 55 -7.921 10.809 1.903 1.00 0.99 H new ATOM 0 HB VAL A 55 -5.791 9.472 3.578 1.00 0.98 H new ATOM 0 HG11 VAL A 55 -5.299 8.339 1.450 1.00 0.93 H new ATOM 0 HG12 VAL A 55 -6.995 8.118 1.939 1.00 0.93 H new ATOM 0 HG13 VAL A 55 -6.584 9.280 0.656 1.00 0.93 H new ATOM 0 HG21 VAL A 55 -4.079 10.396 2.070 1.00 1.14 H new ATOM 0 HG22 VAL A 55 -5.314 11.421 1.302 1.00 1.14 H new ATOM 0 HG23 VAL A 55 -4.888 11.671 3.012 1.00 1.14 H new ATOM 911 N TYR A 56 -9.485 9.419 3.242 1.00 0.80 N ATOM 912 CA TYR A 56 -10.417 8.605 4.004 1.00 0.74 C ATOM 913 C TYR A 56 -10.851 7.371 3.218 1.00 0.63 C ATOM 914 O TYR A 56 -11.152 7.450 2.027 1.00 0.62 O ATOM 915 CB TYR A 56 -11.637 9.435 4.422 1.00 0.85 C ATOM 916 CG TYR A 56 -12.666 9.636 3.327 1.00 0.89 C ATOM 917 CD1 TYR A 56 -12.389 10.426 2.216 1.00 0.97 C ATOM 918 CD2 TYR A 56 -13.918 9.039 3.413 1.00 0.89 C ATOM 919 CE1 TYR A 56 -13.331 10.612 1.223 1.00 1.02 C ATOM 920 CE2 TYR A 56 -14.864 9.222 2.423 1.00 0.93 C ATOM 921 CZ TYR A 56 -14.566 10.009 1.330 1.00 0.98 C ATOM 922 OH TYR A 56 -15.507 10.194 0.343 1.00 1.03 O ATOM 0 H TYR A 56 -9.799 9.656 2.301 1.00 0.80 H new ATOM 0 HA TYR A 56 -9.903 8.262 4.902 1.00 0.74 H new ATOM 0 HB2 TYR A 56 -12.118 8.948 5.270 1.00 0.85 H new ATOM 0 HB3 TYR A 56 -11.296 10.411 4.766 1.00 0.85 H new ATOM 0 HD1 TYR A 56 -11.423 10.901 2.129 1.00 0.97 H new ATOM 0 HD2 TYR A 56 -14.155 8.422 4.267 1.00 0.89 H new ATOM 0 HE1 TYR A 56 -13.101 11.228 0.366 1.00 1.02 H new ATOM 0 HE2 TYR A 56 -15.832 8.751 2.504 1.00 0.93 H new ATOM 0 HH TYR A 56 -16.322 9.700 0.571 1.00 1.03 H new ATOM 932 N TYR A 57 -10.877 6.234 3.902 1.00 0.58 N ATOM 933 CA TYR A 57 -11.275 4.974 3.287 1.00 0.48 C ATOM 934 C TYR A 57 -12.639 4.543 3.810 1.00 0.45 C ATOM 935 O TYR A 57 -12.911 4.652 5.004 1.00 0.47 O ATOM 936 CB TYR A 57 -10.234 3.888 3.577 1.00 0.43 C ATOM 937 CG TYR A 57 -8.804 4.372 3.478 1.00 0.44 C ATOM 938 CD1 TYR A 57 -8.147 4.897 4.584 1.00 0.49 C ATOM 939 CD2 TYR A 57 -8.110 4.305 2.276 1.00 0.45 C ATOM 940 CE1 TYR A 57 -6.841 5.339 4.496 1.00 0.51 C ATOM 941 CE2 TYR A 57 -6.805 4.744 2.180 1.00 0.48 C ATOM 942 CZ TYR A 57 -6.175 5.261 3.292 1.00 0.49 C ATOM 943 OH TYR A 57 -4.873 5.699 3.199 1.00 0.54 O ATOM 0 H TYR A 57 -10.626 6.159 4.888 1.00 0.58 H new ATOM 0 HA TYR A 57 -11.339 5.118 2.208 1.00 0.48 H new ATOM 0 HB2 TYR A 57 -10.405 3.491 4.578 1.00 0.43 H new ATOM 0 HB3 TYR A 57 -10.378 3.064 2.879 1.00 0.43 H new ATOM 0 HD1 TYR A 57 -8.666 4.961 5.529 1.00 0.49 H new ATOM 0 HD2 TYR A 57 -8.600 3.902 1.402 1.00 0.45 H new ATOM 0 HE1 TYR A 57 -6.345 5.743 5.366 1.00 0.51 H new ATOM 0 HE2 TYR A 57 -6.280 4.683 1.238 1.00 0.48 H new ATOM 0 HH TYR A 57 -4.550 5.573 2.282 1.00 0.54 H new ATOM 953 N TYR A 58 -13.497 4.064 2.919 1.00 0.41 N ATOM 954 CA TYR A 58 -14.832 3.634 3.315 1.00 0.41 C ATOM 955 C TYR A 58 -15.254 2.367 2.574 1.00 0.35 C ATOM 956 O TYR A 58 -14.901 2.164 1.413 1.00 0.34 O ATOM 957 CB TYR A 58 -15.843 4.760 3.073 1.00 0.46 C ATOM 958 CG TYR A 58 -16.406 4.794 1.671 1.00 0.45 C ATOM 959 CD1 TYR A 58 -15.682 5.357 0.626 1.00 0.45 C ATOM 960 CD2 TYR A 58 -17.659 4.264 1.393 1.00 0.47 C ATOM 961 CE1 TYR A 58 -16.195 5.389 -0.658 1.00 0.46 C ATOM 962 CE2 TYR A 58 -18.178 4.291 0.114 1.00 0.48 C ATOM 963 CZ TYR A 58 -17.443 4.855 -0.909 1.00 0.47 C ATOM 964 OH TYR A 58 -17.955 4.887 -2.185 1.00 0.50 O ATOM 0 H TYR A 58 -13.295 3.964 1.924 1.00 0.41 H new ATOM 0 HA TYR A 58 -14.809 3.401 4.380 1.00 0.41 H new ATOM 0 HB2 TYR A 58 -16.665 4.653 3.781 1.00 0.46 H new ATOM 0 HB3 TYR A 58 -15.363 5.716 3.283 1.00 0.46 H new ATOM 0 HD1 TYR A 58 -14.705 5.775 0.820 1.00 0.45 H new ATOM 0 HD2 TYR A 58 -18.238 3.823 2.191 1.00 0.47 H new ATOM 0 HE1 TYR A 58 -15.622 5.830 -1.460 1.00 0.46 H new ATOM 0 HE2 TYR A 58 -19.154 3.873 -0.085 1.00 0.48 H new ATOM 0 HH TYR A 58 -18.842 4.470 -2.192 1.00 0.50 H new ATOM 974 N ASN A 59 -16.015 1.521 3.262 1.00 0.34 N ATOM 975 CA ASN A 59 -16.496 0.272 2.684 1.00 0.32 C ATOM 976 C ASN A 59 -17.917 0.444 2.147 1.00 0.35 C ATOM 977 O ASN A 59 -18.867 0.560 2.918 1.00 0.41 O ATOM 978 CB ASN A 59 -16.461 -0.837 3.737 1.00 0.33 C ATOM 979 CG ASN A 59 -16.409 -2.222 3.126 1.00 0.33 C ATOM 980 OD1 ASN A 59 -17.335 -2.641 2.433 1.00 0.44 O ATOM 981 ND2 ASN A 59 -15.320 -2.942 3.379 1.00 0.46 N ATOM 0 H ASN A 59 -16.312 1.680 4.225 1.00 0.34 H new ATOM 0 HA ASN A 59 -15.844 -0.004 1.855 1.00 0.32 H new ATOM 0 HB2 ASN A 59 -15.592 -0.695 4.379 1.00 0.33 H new ATOM 0 HB3 ASN A 59 -17.343 -0.757 4.372 1.00 0.33 H new ATOM 0 HD21 ASN A 59 -15.229 -3.882 2.993 1.00 0.46 H new ATOM 0 HD22 ASN A 59 -14.576 -2.555 3.959 1.00 0.46 H new ATOM 988 N PRO A 60 -18.081 0.483 0.810 1.00 0.36 N ATOM 989 CA PRO A 60 -19.392 0.664 0.175 1.00 0.42 C ATOM 990 C PRO A 60 -20.320 -0.535 0.365 1.00 0.45 C ATOM 991 O PRO A 60 -21.481 -0.497 -0.042 1.00 0.46 O ATOM 992 CB PRO A 60 -19.062 0.847 -1.314 1.00 0.47 C ATOM 993 CG PRO A 60 -17.590 1.084 -1.373 1.00 0.43 C ATOM 994 CD PRO A 60 -17.007 0.375 -0.187 1.00 0.36 C ATOM 0 HA PRO A 60 -19.926 1.506 0.615 1.00 0.42 H new ATOM 0 HB2 PRO A 60 -19.340 -0.037 -1.888 1.00 0.47 H new ATOM 0 HB3 PRO A 60 -19.612 1.688 -1.737 1.00 0.47 H new ATOM 0 HG2 PRO A 60 -17.170 0.699 -2.302 1.00 0.43 H new ATOM 0 HG3 PRO A 60 -17.365 2.150 -1.339 1.00 0.43 H new ATOM 0 HD2 PRO A 60 -16.767 -0.664 -0.413 1.00 0.36 H new ATOM 0 HD3 PRO A 60 -16.087 0.848 0.156 1.00 0.36 H new ATOM 1002 N THR A 61 -19.807 -1.599 0.975 1.00 0.47 N ATOM 1003 CA THR A 61 -20.605 -2.800 1.202 1.00 0.53 C ATOM 1004 C THR A 61 -21.272 -2.774 2.578 1.00 0.58 C ATOM 1005 O THR A 61 -22.395 -3.255 2.740 1.00 0.64 O ATOM 1006 CB THR A 61 -19.750 -4.083 1.049 1.00 0.53 C ATOM 1007 OG1 THR A 61 -20.412 -5.005 0.174 1.00 0.96 O ATOM 1008 CG2 THR A 61 -19.488 -4.758 2.390 1.00 0.81 C ATOM 0 H THR A 61 -18.848 -1.655 1.319 1.00 0.47 H new ATOM 0 HA THR A 61 -21.386 -2.814 0.441 1.00 0.53 H new ATOM 0 HB THR A 61 -18.789 -3.788 0.629 1.00 0.53 H new ATOM 0 HG1 THR A 61 -19.867 -5.814 0.079 1.00 0.96 H new ATOM 0 HG21 THR A 61 -18.885 -5.653 2.235 1.00 0.81 H new ATOM 0 HG22 THR A 61 -18.954 -4.070 3.046 1.00 0.81 H new ATOM 0 HG23 THR A 61 -20.437 -5.035 2.850 1.00 0.81 H new ATOM 1016 N THR A 62 -20.579 -2.211 3.562 1.00 0.57 N ATOM 1017 CA THR A 62 -21.110 -2.122 4.917 1.00 0.65 C ATOM 1018 C THR A 62 -21.322 -0.669 5.333 1.00 0.65 C ATOM 1019 O THR A 62 -21.709 -0.389 6.469 1.00 0.72 O ATOM 1020 CB THR A 62 -20.180 -2.814 5.935 1.00 0.67 C ATOM 1021 OG1 THR A 62 -20.477 -2.375 7.265 1.00 0.66 O ATOM 1022 CG2 THR A 62 -18.723 -2.527 5.615 1.00 0.73 C ATOM 0 H THR A 62 -19.648 -1.810 3.446 1.00 0.57 H new ATOM 0 HA THR A 62 -22.071 -2.636 4.913 1.00 0.65 H new ATOM 0 HB THR A 62 -20.349 -3.889 5.868 1.00 0.67 H new ATOM 0 HG1 THR A 62 -21.327 -1.887 7.266 1.00 0.66 H new ATOM 0 HG21 THR A 62 -18.085 -3.025 6.345 1.00 0.73 H new ATOM 0 HG22 THR A 62 -18.490 -2.898 4.617 1.00 0.73 H new ATOM 0 HG23 THR A 62 -18.547 -1.452 5.653 1.00 0.73 H new ATOM 1030 N ARG A 63 -21.059 0.256 4.413 1.00 0.58 N ATOM 1031 CA ARG A 63 -21.209 1.678 4.701 1.00 0.59 C ATOM 1032 C ARG A 63 -20.386 2.044 5.929 1.00 0.60 C ATOM 1033 O ARG A 63 -20.882 2.662 6.873 1.00 0.62 O ATOM 1034 CB ARG A 63 -22.683 2.029 4.924 1.00 0.67 C ATOM 1035 CG ARG A 63 -23.565 1.731 3.724 1.00 0.80 C ATOM 1036 CD ARG A 63 -24.591 0.655 4.040 1.00 1.42 C ATOM 1037 NE ARG A 63 -25.427 1.012 5.182 1.00 2.00 N ATOM 1038 CZ ARG A 63 -26.533 1.744 5.087 1.00 2.29 C ATOM 1039 NH1 ARG A 63 -26.938 2.191 3.907 1.00 2.24 N ATOM 1040 NH2 ARG A 63 -27.236 2.028 6.175 1.00 3.10 N ATOM 0 H ARG A 63 -20.742 0.047 3.466 1.00 0.58 H new ATOM 0 HA ARG A 63 -20.848 2.250 3.847 1.00 0.59 H new ATOM 0 HB2 ARG A 63 -23.054 1.473 5.785 1.00 0.67 H new ATOM 0 HB3 ARG A 63 -22.763 3.088 5.170 1.00 0.67 H new ATOM 0 HG2 ARG A 63 -24.076 2.642 3.412 1.00 0.80 H new ATOM 0 HG3 ARG A 63 -22.946 1.410 2.887 1.00 0.80 H new ATOM 0 HD2 ARG A 63 -25.222 0.489 3.167 1.00 1.42 H new ATOM 0 HD3 ARG A 63 -24.079 -0.285 4.246 1.00 1.42 H new ATOM 0 HE ARG A 63 -25.147 0.681 6.105 1.00 2.00 H new ATOM 0 HH11 ARG A 63 -26.401 1.974 3.068 1.00 2.24 H new ATOM 0 HH12 ARG A 63 -27.787 2.752 3.838 1.00 2.24 H new ATOM 0 HH21 ARG A 63 -26.928 1.685 7.085 1.00 3.10 H new ATOM 0 HH22 ARG A 63 -28.084 2.590 6.102 1.00 3.10 H new ATOM 1054 N GLU A 64 -19.120 1.641 5.905 1.00 0.60 N ATOM 1055 CA GLU A 64 -18.206 1.902 7.010 1.00 0.62 C ATOM 1056 C GLU A 64 -17.243 3.031 6.670 1.00 0.56 C ATOM 1057 O GLU A 64 -16.939 3.272 5.503 1.00 0.62 O ATOM 1058 CB GLU A 64 -17.416 0.641 7.356 1.00 0.59 C ATOM 1059 CG GLU A 64 -18.110 -0.274 8.354 1.00 0.79 C ATOM 1060 CD GLU A 64 -19.243 0.403 9.104 1.00 1.62 C ATOM 1061 OE1 GLU A 64 -18.955 1.233 9.991 1.00 1.85 O ATOM 1062 OE2 GLU A 64 -20.416 0.103 8.801 1.00 2.43 O ATOM 0 H GLU A 64 -18.702 1.130 5.128 1.00 0.60 H new ATOM 0 HA GLU A 64 -18.802 2.202 7.872 1.00 0.62 H new ATOM 0 HB2 GLU A 64 -17.225 0.082 6.440 1.00 0.59 H new ATOM 0 HB3 GLU A 64 -16.446 0.932 7.760 1.00 0.59 H new ATOM 0 HG2 GLU A 64 -18.502 -1.144 7.827 1.00 0.79 H new ATOM 0 HG3 GLU A 64 -17.376 -0.640 9.072 1.00 0.79 H new ATOM 1069 N THR A 65 -16.768 3.722 7.700 1.00 0.68 N ATOM 1070 CA THR A 65 -15.841 4.830 7.510 1.00 0.64 C ATOM 1071 C THR A 65 -14.610 4.695 8.403 1.00 0.63 C ATOM 1072 O THR A 65 -14.716 4.678 9.629 1.00 0.69 O ATOM 1073 CB THR A 65 -16.518 6.186 7.790 1.00 0.77 C ATOM 1074 OG1 THR A 65 -17.395 6.072 8.916 1.00 0.91 O ATOM 1075 CG2 THR A 65 -17.303 6.661 6.575 1.00 0.67 C ATOM 0 H THR A 65 -17.009 3.535 8.673 1.00 0.68 H new ATOM 0 HA THR A 65 -15.528 4.794 6.467 1.00 0.64 H new ATOM 0 HB THR A 65 -15.740 6.917 8.008 1.00 0.77 H new ATOM 0 HG1 THR A 65 -17.820 6.938 9.089 1.00 0.91 H new ATOM 0 HG21 THR A 65 -17.772 7.620 6.797 1.00 0.67 H new ATOM 0 HG22 THR A 65 -16.628 6.775 5.727 1.00 0.67 H new ATOM 0 HG23 THR A 65 -18.073 5.929 6.330 1.00 0.67 H new ATOM 1083 N SER A 66 -13.445 4.614 7.770 1.00 0.55 N ATOM 1084 CA SER A 66 -12.178 4.496 8.485 1.00 0.55 C ATOM 1085 C SER A 66 -11.182 5.526 7.963 1.00 0.56 C ATOM 1086 O SER A 66 -11.135 5.803 6.763 1.00 0.56 O ATOM 1087 CB SER A 66 -11.600 3.086 8.331 1.00 0.48 C ATOM 1088 OG SER A 66 -11.362 2.492 9.596 1.00 1.09 O ATOM 0 H SER A 66 -13.351 4.628 6.754 1.00 0.55 H new ATOM 0 HA SER A 66 -12.362 4.682 9.543 1.00 0.55 H new ATOM 0 HB2 SER A 66 -12.291 2.467 7.759 1.00 0.48 H new ATOM 0 HB3 SER A 66 -10.669 3.131 7.766 1.00 0.48 H new ATOM 0 HG SER A 66 -10.995 1.592 9.471 1.00 1.09 H new ATOM 1094 N TRP A 67 -10.390 6.098 8.865 1.00 0.63 N ATOM 1095 CA TRP A 67 -9.402 7.101 8.481 1.00 0.68 C ATOM 1096 C TRP A 67 -8.071 6.451 8.117 1.00 0.62 C ATOM 1097 O TRP A 67 -7.109 7.140 7.774 1.00 0.68 O ATOM 1098 CB TRP A 67 -9.198 8.110 9.614 1.00 0.77 C ATOM 1099 CG TRP A 67 -10.291 9.133 9.708 1.00 0.90 C ATOM 1100 CD1 TRP A 67 -11.402 9.069 10.497 1.00 0.97 C ATOM 1101 CD2 TRP A 67 -10.377 10.369 8.989 1.00 1.00 C ATOM 1102 NE1 TRP A 67 -12.177 10.189 10.314 1.00 1.09 N ATOM 1103 CE2 TRP A 67 -11.569 11.003 9.394 1.00 1.11 C ATOM 1104 CE3 TRP A 67 -9.566 11.008 8.043 1.00 1.06 C ATOM 1105 CZ2 TRP A 67 -11.967 12.238 8.887 1.00 1.23 C ATOM 1106 CZ3 TRP A 67 -9.963 12.232 7.542 1.00 1.21 C ATOM 1107 CH2 TRP A 67 -11.154 12.836 7.964 1.00 1.28 C ATOM 0 H TRP A 67 -10.413 5.886 9.862 1.00 0.63 H new ATOM 0 HA TRP A 67 -9.780 7.623 7.602 1.00 0.68 H new ATOM 0 HB2 TRP A 67 -9.131 7.573 10.560 1.00 0.77 H new ATOM 0 HB3 TRP A 67 -8.246 8.620 9.469 1.00 0.77 H new ATOM 0 HD1 TRP A 67 -11.638 8.256 11.168 1.00 0.97 H new ATOM 0 HE1 TRP A 67 -13.060 10.383 10.786 1.00 1.09 H new ATOM 0 HE3 TRP A 67 -8.645 10.551 7.711 1.00 1.06 H new ATOM 0 HZ2 TRP A 67 -12.885 12.706 9.211 1.00 1.23 H new ATOM 0 HZ3 TRP A 67 -9.344 12.732 6.812 1.00 1.21 H new ATOM 0 HH2 TRP A 67 -11.436 13.794 7.552 1.00 1.28 H new ATOM 1118 N THR A 68 -8.018 5.125 8.193 1.00 0.54 N ATOM 1119 CA THR A 68 -6.800 4.391 7.869 1.00 0.50 C ATOM 1120 C THR A 68 -7.105 2.959 7.444 1.00 0.45 C ATOM 1121 O THR A 68 -8.042 2.341 7.946 1.00 0.44 O ATOM 1122 CB THR A 68 -5.822 4.358 9.059 1.00 0.50 C ATOM 1123 OG1 THR A 68 -5.005 3.183 8.990 1.00 1.17 O ATOM 1124 CG2 THR A 68 -6.572 4.379 10.383 1.00 1.42 C ATOM 0 H THR A 68 -8.803 4.538 8.476 1.00 0.54 H new ATOM 0 HA THR A 68 -6.335 4.922 7.038 1.00 0.50 H new ATOM 0 HB THR A 68 -5.192 5.246 9.003 1.00 0.50 H new ATOM 0 HG1 THR A 68 -4.385 3.170 9.749 1.00 1.17 H new ATOM 0 HG21 THR A 68 -5.858 4.355 11.206 1.00 1.42 H new ATOM 0 HG22 THR A 68 -7.170 5.288 10.448 1.00 1.42 H new ATOM 0 HG23 THR A 68 -7.226 3.509 10.445 1.00 1.42 H new ATOM 1132 N ILE A 69 -6.299 2.443 6.520 1.00 0.43 N ATOM 1133 CA ILE A 69 -6.460 1.082 6.015 1.00 0.39 C ATOM 1134 C ILE A 69 -6.434 0.062 7.155 1.00 0.35 C ATOM 1135 O ILE A 69 -5.374 -0.221 7.711 1.00 0.35 O ATOM 1136 CB ILE A 69 -5.335 0.732 5.020 1.00 0.44 C ATOM 1137 CG1 ILE A 69 -5.266 1.776 3.897 1.00 0.57 C ATOM 1138 CG2 ILE A 69 -5.512 -0.672 4.464 1.00 0.38 C ATOM 1139 CD1 ILE A 69 -5.862 1.334 2.583 1.00 0.62 C ATOM 0 H ILE A 69 -5.520 2.953 6.102 1.00 0.43 H new ATOM 0 HA ILE A 69 -7.426 1.039 5.512 1.00 0.39 H new ATOM 0 HB ILE A 69 -4.386 0.751 5.556 1.00 0.44 H new ATOM 0 HG12 ILE A 69 -5.780 2.679 4.227 1.00 0.57 H new ATOM 0 HG13 ILE A 69 -4.222 2.045 3.734 1.00 0.57 H new ATOM 0 HG21 ILE A 69 -4.704 -0.891 3.765 1.00 0.38 H new ATOM 0 HG22 ILE A 69 -5.490 -1.393 5.282 1.00 0.38 H new ATOM 0 HG23 ILE A 69 -6.469 -0.740 3.946 1.00 0.38 H new ATOM 0 HD11 ILE A 69 -5.767 2.137 1.852 1.00 0.62 H new ATOM 0 HD12 ILE A 69 -5.334 0.451 2.223 1.00 0.62 H new ATOM 0 HD13 ILE A 69 -6.916 1.094 2.724 1.00 0.62 H new ATOM 1151 N PRO A 70 -7.604 -0.504 7.523 1.00 0.36 N ATOM 1152 CA PRO A 70 -7.693 -1.490 8.597 1.00 0.37 C ATOM 1153 C PRO A 70 -6.600 -2.552 8.491 1.00 0.38 C ATOM 1154 O PRO A 70 -6.220 -2.956 7.392 1.00 0.41 O ATOM 1155 CB PRO A 70 -9.082 -2.127 8.420 1.00 0.37 C ATOM 1156 CG PRO A 70 -9.723 -1.451 7.246 1.00 0.36 C ATOM 1157 CD PRO A 70 -8.915 -0.225 6.927 1.00 0.42 C ATOM 0 HA PRO A 70 -7.558 -1.028 9.575 1.00 0.37 H new ATOM 0 HB2 PRO A 70 -8.996 -3.200 8.248 1.00 0.37 H new ATOM 0 HB3 PRO A 70 -9.685 -1.995 9.318 1.00 0.37 H new ATOM 0 HG2 PRO A 70 -9.754 -2.123 6.388 1.00 0.36 H new ATOM 0 HG3 PRO A 70 -10.754 -1.181 7.476 1.00 0.36 H new ATOM 0 HD2 PRO A 70 -8.839 -0.065 5.852 1.00 0.42 H new ATOM 0 HD3 PRO A 70 -9.365 0.672 7.352 1.00 0.42 H new ATOM 1165 N ALA A 71 -6.090 -2.984 9.640 1.00 0.48 N ATOM 1166 CA ALA A 71 -5.025 -3.984 9.684 1.00 0.53 C ATOM 1167 C ALA A 71 -5.437 -5.286 9.004 1.00 0.50 C ATOM 1168 O ALA A 71 -6.393 -5.943 9.417 1.00 0.50 O ATOM 1169 CB ALA A 71 -4.618 -4.252 11.124 1.00 0.65 C ATOM 0 H ALA A 71 -6.397 -2.657 10.556 1.00 0.48 H new ATOM 0 HA ALA A 71 -4.174 -3.582 9.135 1.00 0.53 H new ATOM 0 HB1 ALA A 71 -3.824 -4.999 11.145 1.00 0.65 H new ATOM 0 HB2 ALA A 71 -4.260 -3.328 11.579 1.00 0.65 H new ATOM 0 HB3 ALA A 71 -5.478 -4.621 11.682 1.00 0.65 H new ATOM 1175 N PHE A 72 -4.697 -5.659 7.960 1.00 0.50 N ATOM 1176 CA PHE A 72 -4.973 -6.887 7.223 1.00 0.52 C ATOM 1177 C PHE A 72 -3.794 -7.851 7.323 1.00 0.61 C ATOM 1178 O PHE A 72 -2.819 -7.734 6.579 1.00 0.64 O ATOM 1179 CB PHE A 72 -5.267 -6.579 5.753 1.00 0.49 C ATOM 1180 CG PHE A 72 -6.383 -5.590 5.554 1.00 0.40 C ATOM 1181 CD1 PHE A 72 -7.563 -5.708 6.269 1.00 0.37 C ATOM 1182 CD2 PHE A 72 -6.249 -4.542 4.657 1.00 0.40 C ATOM 1183 CE1 PHE A 72 -8.590 -4.801 6.091 1.00 0.33 C ATOM 1184 CE2 PHE A 72 -7.273 -3.632 4.475 1.00 0.38 C ATOM 1185 CZ PHE A 72 -8.443 -3.763 5.177 1.00 0.34 C ATOM 0 H PHE A 72 -3.902 -5.126 7.607 1.00 0.50 H new ATOM 0 HA PHE A 72 -5.851 -7.356 7.667 1.00 0.52 H new ATOM 0 HB2 PHE A 72 -4.362 -6.192 5.284 1.00 0.49 H new ATOM 0 HB3 PHE A 72 -5.520 -7.507 5.240 1.00 0.49 H new ATOM 0 HD1 PHE A 72 -7.682 -6.518 6.974 1.00 0.37 H new ATOM 0 HD2 PHE A 72 -5.334 -4.435 4.094 1.00 0.40 H new ATOM 0 HE1 PHE A 72 -9.503 -4.898 6.659 1.00 0.33 H new ATOM 0 HE2 PHE A 72 -7.151 -2.816 3.778 1.00 0.38 H new ATOM 0 HZ PHE A 72 -9.249 -3.062 5.021 1.00 0.34 H new ATOM 1195 N GLU A 73 -3.887 -8.800 8.249 1.00 0.68 N ATOM 1196 CA GLU A 73 -2.826 -9.781 8.450 1.00 0.78 C ATOM 1197 C GLU A 73 -2.843 -10.836 7.350 1.00 0.93 C ATOM 1198 O GLU A 73 -3.769 -11.642 7.263 1.00 1.03 O ATOM 1199 CB GLU A 73 -2.971 -10.456 9.814 1.00 0.62 C ATOM 1200 CG GLU A 73 -3.566 -9.556 10.883 1.00 1.34 C ATOM 1201 CD GLU A 73 -4.860 -10.105 11.457 1.00 2.08 C ATOM 1202 OE1 GLU A 73 -5.479 -10.967 10.800 1.00 2.81 O ATOM 1203 OE2 GLU A 73 -5.253 -9.672 12.560 1.00 2.45 O ATOM 0 H GLU A 73 -4.687 -8.911 8.872 1.00 0.68 H new ATOM 0 HA GLU A 73 -1.873 -9.253 8.413 1.00 0.78 H new ATOM 0 HB2 GLU A 73 -3.599 -11.341 9.706 1.00 0.62 H new ATOM 0 HB3 GLU A 73 -1.991 -10.799 10.145 1.00 0.62 H new ATOM 0 HG2 GLU A 73 -2.842 -9.427 11.688 1.00 1.34 H new ATOM 0 HG3 GLU A 73 -3.751 -8.569 10.459 1.00 1.34 H new