USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 825 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 ASN : amide:sc= -2.62! C(o=-1.4!,f=-6.2!) USER MOD Set 1.2: A 85 THR OG1 : rot -70:sc= 1.25 USER MOD Set 2.1: A 23 MET CE :methyl -150:sc= -2.55 (180deg=-1.09) USER MOD Set 2.2: A 34 ASN : amide:sc= -6.81! C(o=-9.4!,f=-22!) USER MOD Set 3.1: A 32 LYS NZ :NH3+ -169:sc= 0.149 (180deg=-0.112) USER MOD Set 3.2: A 33 THR OG1 : rot -179:sc= 0.171 USER MOD Set 4.1: A 5 THR OG1 : rot 180:sc= 0.288 USER MOD Set 4.2: A 9 LYS NZ :NH3+ -175:sc= -4.58! (180deg=-5.25!) USER MOD Set 4.3: A 10 HIS :FLIP no HD1:sc= -0.256 F(o=-7.3,f=-4.5) USER MOD Single : A 7 GLN :FLIP amide:sc= -4.16! C(o=-4.9!,f=-4.2!) USER MOD Single : A 8 LYS NZ :NH3+ -135:sc= -0.803 (180deg=-2.18!) USER MOD Single : A 12 THR OG1 : rot 107:sc= -2.05! USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00689 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.18) USER MOD Single : A 31 LYS NZ :NH3+ -147:sc= -2.29! (180deg=-2.96!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -146:sc= -0.971 (180deg=-1.7) USER MOD Single : A 50 ASN : amide:sc= -0.276 X(o=-0.28,f=-0.051) USER MOD Single : A 54 ASN :FLIP amide:sc= -1.22! C(o=-5!,f=-1.2!) USER MOD Single : A 55 THR OG1 : rot -65:sc= -0.243 USER MOD Single : A 59 SER OG : rot -109:sc= -1.07! USER MOD Single : A 67 GLN :FLIP amide:sc= -0.52 F(o=-1.2!,f=-0.52) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.42) USER MOD Single : A 77 TYR OH : rot 78:sc= -1.34! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 2:sc= -0.711 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0532 USER MOD Single : A 87 CYS SG : rot 18:sc= -0.0639 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.288 K(o=-0.29,f=-3.9!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 -6.756 10.614 -0.638 1.00 1.00 N ATOM 16 CA ASP A 2 -6.885 10.908 -2.093 1.00 1.00 C ATOM 17 C ASP A 2 -6.401 9.686 -2.877 1.00 1.00 C ATOM 18 O ASP A 2 -5.312 9.192 -2.660 1.00 1.00 O ATOM 19 CB ASP A 2 -6.025 12.133 -2.449 1.00 1.00 C ATOM 20 CG ASP A 2 -6.921 13.347 -2.719 1.00 1.00 C ATOM 21 OD1 ASP A 2 -7.993 13.411 -2.141 1.00 1.00 O ATOM 22 OD2 ASP A 2 -6.517 14.193 -3.500 1.00 1.00 O ATOM 0 HA ASP A 2 -7.923 11.123 -2.344 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -5.337 12.354 -1.633 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -5.418 11.917 -3.328 1.00 1.00 H new ATOM 27 N TRP A 3 -7.200 9.184 -3.775 1.00 1.00 N ATOM 28 CA TRP A 3 -6.775 7.986 -4.551 1.00 1.00 C ATOM 29 C TRP A 3 -5.434 8.276 -5.227 1.00 1.00 C ATOM 30 O TRP A 3 -4.616 7.397 -5.405 1.00 1.00 O ATOM 31 CB TRP A 3 -7.848 7.647 -5.592 1.00 1.00 C ATOM 32 CG TRP A 3 -7.266 6.847 -6.720 1.00 1.00 C ATOM 33 CD1 TRP A 3 -7.517 7.077 -8.028 1.00 1.00 C ATOM 34 CD2 TRP A 3 -6.358 5.700 -6.675 1.00 1.00 C ATOM 35 NE1 TRP A 3 -6.822 6.157 -8.790 1.00 1.00 N ATOM 36 CE2 TRP A 3 -6.094 5.287 -8.004 1.00 1.00 C ATOM 37 CE3 TRP A 3 -5.739 4.984 -5.628 1.00 1.00 C ATOM 38 CZ2 TRP A 3 -5.252 4.210 -8.285 1.00 1.00 C ATOM 39 CZ3 TRP A 3 -4.893 3.900 -5.910 1.00 1.00 C ATOM 40 CH2 TRP A 3 -4.650 3.514 -7.234 1.00 1.00 C ATOM 0 H TRP A 3 -8.124 9.549 -4.005 1.00 1.00 H new ATOM 0 HA TRP A 3 -6.655 7.130 -3.887 1.00 1.00 H new ATOM 0 HB2 TRP A 3 -8.654 7.085 -5.120 1.00 1.00 H new ATOM 0 HB3 TRP A 3 -8.286 8.566 -5.981 1.00 1.00 H new ATOM 0 HD1 TRP A 3 -8.158 7.855 -8.416 1.00 1.00 H new ATOM 0 HE1 TRP A 3 -6.844 6.125 -9.809 1.00 1.00 H new ATOM 0 HE3 TRP A 3 -5.918 5.272 -4.603 1.00 1.00 H new ATOM 0 HZ2 TRP A 3 -5.067 3.917 -9.308 1.00 1.00 H new ATOM 0 HZ3 TRP A 3 -4.426 3.360 -5.100 1.00 1.00 H new ATOM 0 HH2 TRP A 3 -3.998 2.679 -7.442 1.00 1.00 H new ATOM 51 N GLU A 4 -5.195 9.504 -5.592 1.00 1.00 N ATOM 52 CA GLU A 4 -3.900 9.845 -6.243 1.00 1.00 C ATOM 53 C GLU A 4 -2.757 9.511 -5.285 1.00 1.00 C ATOM 54 O GLU A 4 -2.079 8.518 -5.442 1.00 1.00 O ATOM 55 CB GLU A 4 -3.870 11.337 -6.582 1.00 1.00 C ATOM 56 CG GLU A 4 -2.695 11.623 -7.520 1.00 1.00 C ATOM 57 CD GLU A 4 -3.008 11.076 -8.914 1.00 1.00 C ATOM 58 OE1 GLU A 4 -4.176 11.042 -9.267 1.00 1.00 O ATOM 59 OE2 GLU A 4 -2.076 10.702 -9.606 1.00 1.00 O ATOM 0 H GLU A 4 -5.839 10.285 -5.468 1.00 1.00 H new ATOM 0 HA GLU A 4 -3.788 9.270 -7.162 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -4.807 11.632 -7.055 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -3.773 11.926 -5.670 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -2.511 12.696 -7.572 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -1.786 11.162 -7.133 1.00 1.00 H new ATOM 66 N THR A 5 -2.539 10.325 -4.288 1.00 1.00 N ATOM 67 CA THR A 5 -1.439 10.033 -3.328 1.00 1.00 C ATOM 68 C THR A 5 -1.556 8.584 -2.863 1.00 1.00 C ATOM 69 O THR A 5 -0.600 7.834 -2.895 1.00 1.00 O ATOM 70 CB THR A 5 -1.536 10.969 -2.123 1.00 1.00 C ATOM 71 OG1 THR A 5 -0.557 10.601 -1.162 1.00 1.00 O ATOM 72 CG2 THR A 5 -2.930 10.873 -1.497 1.00 1.00 C ATOM 0 H THR A 5 -3.072 11.174 -4.098 1.00 1.00 H new ATOM 0 HA THR A 5 -0.478 10.187 -3.818 1.00 1.00 H new ATOM 0 HB THR A 5 -1.363 11.994 -2.449 1.00 1.00 H new ATOM 0 HG1 THR A 5 -0.616 11.200 -0.389 1.00 1.00 H new ATOM 0 HG21 THR A 5 -2.991 11.543 -0.639 1.00 1.00 H new ATOM 0 HG22 THR A 5 -3.680 11.159 -2.234 1.00 1.00 H new ATOM 0 HG23 THR A 5 -3.113 9.849 -1.171 1.00 1.00 H new ATOM 80 N PHE A 6 -2.723 8.175 -2.442 1.00 1.00 N ATOM 81 CA PHE A 6 -2.890 6.769 -1.994 1.00 1.00 C ATOM 82 C PHE A 6 -2.293 5.842 -3.052 1.00 1.00 C ATOM 83 O PHE A 6 -1.915 4.723 -2.776 1.00 1.00 O ATOM 84 CB PHE A 6 -4.380 6.464 -1.827 1.00 1.00 C ATOM 85 CG PHE A 6 -4.554 5.208 -1.007 1.00 1.00 C ATOM 86 CD1 PHE A 6 -4.273 5.225 0.364 1.00 1.00 C ATOM 87 CD2 PHE A 6 -4.998 4.028 -1.616 1.00 1.00 C ATOM 88 CE1 PHE A 6 -4.435 4.064 1.125 1.00 1.00 C ATOM 89 CE2 PHE A 6 -5.160 2.865 -0.855 1.00 1.00 C ATOM 90 CZ PHE A 6 -4.879 2.883 0.517 1.00 1.00 C ATOM 0 H PHE A 6 -3.562 8.753 -2.390 1.00 1.00 H new ATOM 0 HA PHE A 6 -2.383 6.617 -1.041 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -4.880 7.301 -1.339 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -4.847 6.340 -2.804 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -3.931 6.135 0.834 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -5.216 4.015 -2.674 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -4.218 4.078 2.183 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -5.501 1.955 -1.325 1.00 1.00 H new ATOM 0 HZ PHE A 6 -5.005 1.986 1.106 1.00 1.00 H new ATOM 100 N GLN A 7 -2.202 6.307 -4.267 1.00 1.00 N ATOM 101 CA GLN A 7 -1.626 5.462 -5.348 1.00 1.00 C ATOM 102 C GLN A 7 -0.117 5.701 -5.422 1.00 1.00 C ATOM 103 O GLN A 7 0.623 4.902 -5.959 1.00 1.00 O ATOM 104 CB GLN A 7 -2.268 5.838 -6.688 1.00 1.00 C ATOM 105 CG GLN A 7 -1.897 4.805 -7.757 1.00 1.00 C ATOM 106 CD GLN A 7 -0.482 5.078 -8.275 1.00 1.00 C ATOM 107 OE1 GLN A 7 -0.100 6.310 -8.481 1.00 1.00 O flip ATOM 108 NE2 GLN A 7 0.285 4.161 -8.494 1.00 1.00 N flip ATOM 0 H GLN A 7 -2.502 7.237 -4.558 1.00 1.00 H new ATOM 0 HA GLN A 7 -1.822 4.411 -5.135 1.00 1.00 H new ATOM 0 HB2 GLN A 7 -3.351 5.888 -6.580 1.00 1.00 H new ATOM 0 HB3 GLN A 7 -1.932 6.828 -6.996 1.00 1.00 H new ATOM 0 HG2 GLN A 7 -1.953 3.800 -7.339 1.00 1.00 H new ATOM 0 HG3 GLN A 7 -2.610 4.848 -8.580 1.00 1.00 H new ATOM 0 HE21 GLN A 7 -0.012 3.198 -8.334 1.00 1.00 H new ATOM 0 HE22 GLN A 7 1.226 4.354 -8.838 1.00 1.00 H new ATOM 117 N LYS A 8 0.342 6.811 -4.908 1.00 1.00 N ATOM 118 CA LYS A 8 1.801 7.118 -4.979 1.00 1.00 C ATOM 119 C LYS A 8 2.553 6.544 -3.771 1.00 1.00 C ATOM 120 O LYS A 8 3.567 5.892 -3.920 1.00 1.00 O ATOM 121 CB LYS A 8 1.991 8.637 -5.013 1.00 1.00 C ATOM 122 CG LYS A 8 1.050 9.264 -6.052 1.00 1.00 C ATOM 123 CD LYS A 8 1.666 9.163 -7.454 1.00 1.00 C ATOM 124 CE LYS A 8 2.946 10.006 -7.535 1.00 1.00 C ATOM 125 NZ LYS A 8 4.132 9.117 -7.379 1.00 1.00 N ATOM 0 H LYS A 8 -0.229 7.517 -4.443 1.00 1.00 H new ATOM 0 HA LYS A 8 2.205 6.660 -5.882 1.00 1.00 H new ATOM 0 HB2 LYS A 8 1.790 9.058 -4.028 1.00 1.00 H new ATOM 0 HB3 LYS A 8 3.026 8.876 -5.257 1.00 1.00 H new ATOM 0 HG2 LYS A 8 0.086 8.756 -6.033 1.00 1.00 H new ATOM 0 HG3 LYS A 8 0.865 10.309 -5.802 1.00 1.00 H new ATOM 0 HD2 LYS A 8 1.893 8.122 -7.685 1.00 1.00 H new ATOM 0 HD3 LYS A 8 0.949 9.506 -8.199 1.00 1.00 H new ATOM 0 HE2 LYS A 8 2.992 10.528 -8.491 1.00 1.00 H new ATOM 0 HE3 LYS A 8 2.943 10.768 -6.756 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 4.808 9.553 -6.720 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 3.828 8.196 -7.004 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 4.588 8.981 -8.304 1.00 1.00 H new ATOM 139 N LYS A 9 2.099 6.811 -2.574 1.00 1.00 N ATOM 140 CA LYS A 9 2.834 6.305 -1.373 1.00 1.00 C ATOM 141 C LYS A 9 2.340 4.918 -0.942 1.00 1.00 C ATOM 142 O LYS A 9 3.122 4.006 -0.769 1.00 1.00 O ATOM 143 CB LYS A 9 2.651 7.292 -0.214 1.00 1.00 C ATOM 144 CG LYS A 9 1.160 7.483 0.083 1.00 1.00 C ATOM 145 CD LYS A 9 0.961 8.779 0.873 1.00 1.00 C ATOM 146 CE LYS A 9 -0.513 8.926 1.255 1.00 1.00 C ATOM 147 NZ LYS A 9 -1.367 8.522 0.103 1.00 1.00 N ATOM 0 H LYS A 9 1.258 7.353 -2.375 1.00 1.00 H new ATOM 0 HA LYS A 9 3.888 6.217 -1.638 1.00 1.00 H new ATOM 0 HB2 LYS A 9 3.162 6.921 0.674 1.00 1.00 H new ATOM 0 HB3 LYS A 9 3.105 8.250 -0.467 1.00 1.00 H new ATOM 0 HG2 LYS A 9 0.594 7.521 -0.848 1.00 1.00 H new ATOM 0 HG3 LYS A 9 0.780 6.635 0.652 1.00 1.00 H new ATOM 0 HD2 LYS A 9 1.580 8.769 1.770 1.00 1.00 H new ATOM 0 HD3 LYS A 9 1.279 9.633 0.276 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -0.738 8.307 2.123 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -0.726 9.958 1.535 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -2.366 8.702 0.331 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -1.100 9.073 -0.737 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -1.233 7.509 -0.090 1.00 1.00 H new ATOM 161 N HIS A 10 1.063 4.745 -0.739 1.00 1.00 N ATOM 162 CA HIS A 10 0.558 3.412 -0.287 1.00 1.00 C ATOM 163 C HIS A 10 0.734 2.362 -1.382 1.00 1.00 C ATOM 164 O HIS A 10 0.646 1.188 -1.116 1.00 1.00 O ATOM 165 CB HIS A 10 -0.925 3.518 0.084 1.00 1.00 C ATOM 166 CG HIS A 10 -1.062 4.189 1.424 1.00 1.00 C ATOM 167 ND1 HIS A 10 -1.321 5.491 1.777 1.00 1.00 N flip ATOM 168 CD2 HIS A 10 -0.928 3.492 2.617 1.00 1.00 C flip ATOM 169 CE1 HIS A 10 -1.347 5.599 3.162 1.00 1.00 C flip ATOM 170 NE2 HIS A 10 -1.105 4.370 3.622 1.00 1.00 N flip ATOM 0 H HIS A 10 0.349 5.462 -0.865 1.00 1.00 H new ATOM 0 HA HIS A 10 1.136 3.106 0.585 1.00 1.00 H new ATOM 0 HB2 HIS A 10 -1.461 4.087 -0.676 1.00 1.00 H new ATOM 0 HB3 HIS A 10 -1.375 2.526 0.115 1.00 1.00 H new ATOM 0 HD2 HIS A 10 -0.720 2.437 2.720 1.00 1.00 H new ATOM 0 HE1 HIS A 10 -1.526 6.491 3.744 1.00 1.00 H new ATOM 0 HE2 HIS A 10 -1.060 4.126 4.611 1.00 1.00 H new ATOM 179 N LEU A 11 0.973 2.756 -2.605 1.00 1.00 N ATOM 180 CA LEU A 11 1.140 1.738 -3.693 1.00 1.00 C ATOM 181 C LEU A 11 2.483 1.931 -4.398 1.00 1.00 C ATOM 182 O LEU A 11 3.022 3.019 -4.448 1.00 1.00 O ATOM 183 CB LEU A 11 0.014 1.904 -4.718 1.00 1.00 C ATOM 184 CG LEU A 11 -1.130 0.933 -4.413 1.00 1.00 C ATOM 185 CD1 LEU A 11 -1.784 1.298 -3.077 1.00 1.00 C ATOM 186 CD2 LEU A 11 -2.169 1.019 -5.528 1.00 1.00 C ATOM 0 H LEU A 11 1.060 3.729 -2.900 1.00 1.00 H new ATOM 0 HA LEU A 11 1.105 0.742 -3.252 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -0.356 2.929 -4.699 1.00 1.00 H new ATOM 0 HB3 LEU A 11 0.397 1.721 -5.722 1.00 1.00 H new ATOM 0 HG LEU A 11 -0.736 -0.081 -4.350 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -2.597 0.602 -2.868 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -1.042 1.239 -2.281 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -2.179 2.312 -3.131 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -2.987 0.330 -5.317 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -2.557 2.036 -5.586 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -1.706 0.753 -6.478 1.00 1.00 H new ATOM 198 N THR A 12 3.013 0.877 -4.967 1.00 1.00 N ATOM 199 CA THR A 12 4.310 0.987 -5.699 1.00 1.00 C ATOM 200 C THR A 12 4.175 0.293 -7.056 1.00 1.00 C ATOM 201 O THR A 12 3.082 0.031 -7.517 1.00 1.00 O ATOM 202 CB THR A 12 5.432 0.330 -4.889 1.00 1.00 C ATOM 203 OG1 THR A 12 6.583 0.203 -5.711 1.00 1.00 O ATOM 204 CG2 THR A 12 4.998 -1.056 -4.398 1.00 1.00 C ATOM 0 H THR A 12 2.602 -0.056 -4.955 1.00 1.00 H new ATOM 0 HA THR A 12 4.557 2.039 -5.844 1.00 1.00 H new ATOM 0 HB THR A 12 5.658 0.951 -4.022 1.00 1.00 H new ATOM 0 HG1 THR A 12 7.259 0.854 -5.429 1.00 1.00 H new ATOM 0 HG21 THR A 12 5.807 -1.509 -3.824 1.00 1.00 H new ATOM 0 HG22 THR A 12 4.115 -0.958 -3.766 1.00 1.00 H new ATOM 0 HG23 THR A 12 4.763 -1.688 -5.254 1.00 1.00 H new ATOM 212 N ASP A 13 5.272 0.004 -7.709 1.00 1.00 N ATOM 213 CA ASP A 13 5.196 -0.656 -9.047 1.00 1.00 C ATOM 214 C ASP A 13 5.922 -2.006 -9.028 1.00 1.00 C ATOM 215 O ASP A 13 6.159 -2.596 -10.064 1.00 1.00 O ATOM 216 CB ASP A 13 5.851 0.250 -10.091 1.00 1.00 C ATOM 217 CG ASP A 13 5.307 1.672 -9.946 1.00 1.00 C ATOM 218 OD1 ASP A 13 4.261 1.946 -10.511 1.00 1.00 O ATOM 219 OD2 ASP A 13 5.946 2.464 -9.272 1.00 1.00 O ATOM 0 H ASP A 13 6.216 0.196 -7.374 1.00 1.00 H new ATOM 0 HA ASP A 13 4.148 -0.825 -9.295 1.00 1.00 H new ATOM 0 HB2 ASP A 13 6.933 0.248 -9.962 1.00 1.00 H new ATOM 0 HB3 ASP A 13 5.649 -0.127 -11.093 1.00 1.00 H new ATOM 224 N THR A 14 6.286 -2.509 -7.877 1.00 1.00 N ATOM 225 CA THR A 14 6.998 -3.822 -7.852 1.00 1.00 C ATOM 226 C THR A 14 6.746 -4.535 -6.522 1.00 1.00 C ATOM 227 O THR A 14 6.442 -3.921 -5.520 1.00 1.00 O ATOM 228 CB THR A 14 8.499 -3.584 -8.022 1.00 1.00 C ATOM 229 OG1 THR A 14 9.175 -4.834 -8.044 1.00 1.00 O ATOM 230 CG2 THR A 14 9.016 -2.741 -6.858 1.00 1.00 C ATOM 0 H THR A 14 6.125 -2.077 -6.967 1.00 1.00 H new ATOM 0 HA THR A 14 6.625 -4.445 -8.665 1.00 1.00 H new ATOM 0 HB THR A 14 8.682 -3.057 -8.958 1.00 1.00 H new ATOM 0 HG1 THR A 14 10.137 -4.684 -8.155 1.00 1.00 H new ATOM 0 HG21 THR A 14 10.086 -2.571 -6.979 1.00 1.00 H new ATOM 0 HG22 THR A 14 8.496 -1.783 -6.843 1.00 1.00 H new ATOM 0 HG23 THR A 14 8.836 -3.266 -5.920 1.00 1.00 H new ATOM 238 N LYS A 15 6.883 -5.836 -6.509 1.00 1.00 N ATOM 239 CA LYS A 15 6.664 -6.600 -5.248 1.00 1.00 C ATOM 240 C LYS A 15 7.879 -6.416 -4.338 1.00 1.00 C ATOM 241 O LYS A 15 7.824 -6.676 -3.153 1.00 1.00 O ATOM 242 CB LYS A 15 6.494 -8.086 -5.575 1.00 1.00 C ATOM 243 CG LYS A 15 5.324 -8.266 -6.543 1.00 1.00 C ATOM 244 CD LYS A 15 5.312 -9.705 -7.064 1.00 1.00 C ATOM 245 CE LYS A 15 4.159 -9.881 -8.055 1.00 1.00 C ATOM 246 NZ LYS A 15 4.183 -11.265 -8.604 1.00 1.00 N ATOM 0 H LYS A 15 7.137 -6.401 -7.319 1.00 1.00 H new ATOM 0 HA LYS A 15 5.767 -6.235 -4.747 1.00 1.00 H new ATOM 0 HB2 LYS A 15 7.409 -8.479 -6.018 1.00 1.00 H new ATOM 0 HB3 LYS A 15 6.314 -8.652 -4.661 1.00 1.00 H new ATOM 0 HG2 LYS A 15 4.383 -8.042 -6.040 1.00 1.00 H new ATOM 0 HG3 LYS A 15 5.415 -7.567 -7.375 1.00 1.00 H new ATOM 0 HD2 LYS A 15 6.261 -9.935 -7.549 1.00 1.00 H new ATOM 0 HD3 LYS A 15 5.201 -10.402 -6.234 1.00 1.00 H new ATOM 0 HE2 LYS A 15 3.207 -9.692 -7.559 1.00 1.00 H new ATOM 0 HE3 LYS A 15 4.247 -9.156 -8.864 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 3.400 -11.385 -9.277 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 5.087 -11.430 -9.091 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 4.079 -11.949 -7.827 1.00 1.00 H new ATOM 260 N LYS A 16 8.974 -5.967 -4.890 1.00 1.00 N ATOM 261 CA LYS A 16 10.206 -5.754 -4.074 1.00 1.00 C ATOM 262 C LYS A 16 10.655 -4.301 -4.227 1.00 1.00 C ATOM 263 O LYS A 16 11.683 -4.015 -4.810 1.00 1.00 O ATOM 264 CB LYS A 16 11.310 -6.688 -4.578 1.00 1.00 C ATOM 265 CG LYS A 16 10.903 -8.145 -4.325 1.00 1.00 C ATOM 266 CD LYS A 16 11.570 -9.051 -5.363 1.00 1.00 C ATOM 267 CE LYS A 16 11.490 -10.507 -4.898 1.00 1.00 C ATOM 268 NZ LYS A 16 12.246 -11.373 -5.846 1.00 1.00 N ATOM 0 H LYS A 16 9.069 -5.737 -5.879 1.00 1.00 H new ATOM 0 HA LYS A 16 10.002 -5.967 -3.025 1.00 1.00 H new ATOM 0 HB2 LYS A 16 11.480 -6.526 -5.642 1.00 1.00 H new ATOM 0 HB3 LYS A 16 12.248 -6.468 -4.069 1.00 1.00 H new ATOM 0 HG2 LYS A 16 11.199 -8.447 -3.320 1.00 1.00 H new ATOM 0 HG3 LYS A 16 9.819 -8.246 -4.382 1.00 1.00 H new ATOM 0 HD2 LYS A 16 11.077 -8.939 -6.329 1.00 1.00 H new ATOM 0 HD3 LYS A 16 12.611 -8.759 -5.501 1.00 1.00 H new ATOM 0 HE2 LYS A 16 11.902 -10.602 -3.894 1.00 1.00 H new ATOM 0 HE3 LYS A 16 10.449 -10.827 -4.847 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 12.192 -12.363 -5.531 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 11.833 -11.290 -6.797 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 13.241 -11.072 -5.873 1.00 1.00 H new ATOM 282 N VAL A 17 9.884 -3.380 -3.718 1.00 1.00 N ATOM 283 CA VAL A 17 10.256 -1.942 -3.843 1.00 1.00 C ATOM 284 C VAL A 17 11.676 -1.725 -3.359 1.00 1.00 C ATOM 285 O VAL A 17 12.287 -2.589 -2.761 1.00 1.00 O ATOM 286 CB VAL A 17 9.327 -1.086 -2.986 1.00 1.00 C ATOM 287 CG1 VAL A 17 7.893 -1.251 -3.473 1.00 1.00 C ATOM 288 CG2 VAL A 17 9.432 -1.525 -1.522 1.00 1.00 C ATOM 0 H VAL A 17 9.012 -3.561 -3.221 1.00 1.00 H new ATOM 0 HA VAL A 17 10.170 -1.658 -4.892 1.00 1.00 H new ATOM 0 HB VAL A 17 9.617 -0.038 -3.068 1.00 1.00 H new ATOM 0 HG11 VAL A 17 7.229 -0.640 -2.862 1.00 1.00 H new ATOM 0 HG12 VAL A 17 7.823 -0.933 -4.513 1.00 1.00 H new ATOM 0 HG13 VAL A 17 7.600 -2.298 -3.393 1.00 1.00 H new ATOM 0 HG21 VAL A 17 8.769 -0.914 -0.910 1.00 1.00 H new ATOM 0 HG22 VAL A 17 9.143 -2.572 -1.435 1.00 1.00 H new ATOM 0 HG23 VAL A 17 10.459 -1.402 -1.178 1.00 1.00 H new ATOM 298 N LYS A 18 12.193 -0.556 -3.592 1.00 1.00 N ATOM 299 CA LYS A 18 13.565 -0.242 -3.127 1.00 1.00 C ATOM 300 C LYS A 18 13.444 0.548 -1.828 1.00 1.00 C ATOM 301 O LYS A 18 13.741 1.722 -1.771 1.00 1.00 O ATOM 302 CB LYS A 18 14.298 0.588 -4.186 1.00 1.00 C ATOM 303 CG LYS A 18 13.301 1.505 -4.897 1.00 1.00 C ATOM 304 CD LYS A 18 14.054 2.446 -5.843 1.00 1.00 C ATOM 305 CE LYS A 18 14.782 1.630 -6.915 1.00 1.00 C ATOM 306 NZ LYS A 18 15.028 2.488 -8.109 1.00 1.00 N ATOM 0 H LYS A 18 11.720 0.200 -4.088 1.00 1.00 H new ATOM 0 HA LYS A 18 14.133 -1.157 -2.962 1.00 1.00 H new ATOM 0 HB2 LYS A 18 15.084 1.181 -3.718 1.00 1.00 H new ATOM 0 HB3 LYS A 18 14.782 -0.070 -4.908 1.00 1.00 H new ATOM 0 HG2 LYS A 18 12.580 0.910 -5.457 1.00 1.00 H new ATOM 0 HG3 LYS A 18 12.737 2.083 -4.165 1.00 1.00 H new ATOM 0 HD2 LYS A 18 13.356 3.140 -6.312 1.00 1.00 H new ATOM 0 HD3 LYS A 18 14.770 3.046 -5.281 1.00 1.00 H new ATOM 0 HE2 LYS A 18 15.727 1.255 -6.522 1.00 1.00 H new ATOM 0 HE3 LYS A 18 14.185 0.762 -7.194 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 15.522 1.935 -8.838 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 14.120 2.825 -8.487 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 15.614 3.303 -7.836 1.00 1.00 H new ATOM 320 N CYS A 19 12.976 -0.096 -0.793 1.00 1.00 N ATOM 321 CA CYS A 19 12.789 0.583 0.522 1.00 1.00 C ATOM 322 C CYS A 19 13.827 1.695 0.729 1.00 1.00 C ATOM 323 O CYS A 19 13.498 2.796 1.129 1.00 1.00 O ATOM 324 CB CYS A 19 12.936 -0.449 1.639 1.00 1.00 C ATOM 325 SG CYS A 19 11.460 -1.492 1.686 1.00 1.00 S ATOM 0 H CYS A 19 12.711 -1.081 -0.804 1.00 1.00 H new ATOM 0 HA CYS A 19 11.796 1.032 0.539 1.00 1.00 H new ATOM 0 HB2 CYS A 19 13.822 -1.061 1.470 1.00 1.00 H new ATOM 0 HB3 CYS A 19 13.072 0.052 2.597 1.00 1.00 H new ATOM 330 N ASP A 20 15.078 1.414 0.470 1.00 1.00 N ATOM 331 CA ASP A 20 16.138 2.448 0.662 1.00 1.00 C ATOM 332 C ASP A 20 15.651 3.789 0.113 1.00 1.00 C ATOM 333 O ASP A 20 15.871 4.832 0.698 1.00 1.00 O ATOM 334 CB ASP A 20 17.406 2.020 -0.078 1.00 1.00 C ATOM 335 CG ASP A 20 18.487 3.087 0.098 1.00 1.00 C ATOM 336 OD1 ASP A 20 18.191 4.109 0.695 1.00 1.00 O ATOM 337 OD2 ASP A 20 19.593 2.865 -0.366 1.00 1.00 O ATOM 0 H ASP A 20 15.412 0.511 0.133 1.00 1.00 H new ATOM 0 HA ASP A 20 16.356 2.552 1.725 1.00 1.00 H new ATOM 0 HB2 ASP A 20 17.759 1.063 0.307 1.00 1.00 H new ATOM 0 HB3 ASP A 20 17.191 1.877 -1.137 1.00 1.00 H new ATOM 342 N VAL A 21 14.977 3.762 -1.000 1.00 1.00 N ATOM 343 CA VAL A 21 14.456 5.021 -1.598 1.00 1.00 C ATOM 344 C VAL A 21 12.962 5.139 -1.285 1.00 1.00 C ATOM 345 O VAL A 21 12.460 6.210 -1.015 1.00 1.00 O ATOM 346 CB VAL A 21 14.666 4.981 -3.112 1.00 1.00 C ATOM 347 CG1 VAL A 21 14.616 6.401 -3.679 1.00 1.00 C ATOM 348 CG2 VAL A 21 16.031 4.359 -3.416 1.00 1.00 C ATOM 0 H VAL A 21 14.763 2.915 -1.526 1.00 1.00 H new ATOM 0 HA VAL A 21 14.984 5.880 -1.183 1.00 1.00 H new ATOM 0 HB VAL A 21 13.879 4.383 -3.571 1.00 1.00 H new ATOM 0 HG11 VAL A 21 14.766 6.367 -4.758 1.00 1.00 H new ATOM 0 HG12 VAL A 21 13.645 6.846 -3.461 1.00 1.00 H new ATOM 0 HG13 VAL A 21 15.401 7.003 -3.222 1.00 1.00 H new ATOM 0 HG21 VAL A 21 16.185 4.329 -4.495 1.00 1.00 H new ATOM 0 HG22 VAL A 21 16.815 4.959 -2.954 1.00 1.00 H new ATOM 0 HG23 VAL A 21 16.066 3.346 -3.016 1.00 1.00 H new ATOM 358 N GLU A 22 12.251 4.039 -1.298 1.00 1.00 N ATOM 359 CA GLU A 22 10.793 4.089 -0.984 1.00 1.00 C ATOM 360 C GLU A 22 10.605 4.754 0.383 1.00 1.00 C ATOM 361 O GLU A 22 9.500 4.973 0.837 1.00 1.00 O ATOM 362 CB GLU A 22 10.225 2.660 -0.953 1.00 1.00 C ATOM 363 CG GLU A 22 8.931 2.594 -1.771 1.00 1.00 C ATOM 364 CD GLU A 22 9.267 2.634 -3.263 1.00 1.00 C ATOM 365 OE1 GLU A 22 10.442 2.717 -3.583 1.00 1.00 O ATOM 366 OE2 GLU A 22 8.346 2.583 -4.061 1.00 1.00 O ATOM 0 H GLU A 22 12.617 3.112 -1.512 1.00 1.00 H new ATOM 0 HA GLU A 22 10.266 4.663 -1.747 1.00 1.00 H new ATOM 0 HB2 GLU A 22 10.957 1.960 -1.357 1.00 1.00 H new ATOM 0 HB3 GLU A 22 10.030 2.359 0.076 1.00 1.00 H new ATOM 0 HG2 GLU A 22 8.385 1.680 -1.535 1.00 1.00 H new ATOM 0 HG3 GLU A 22 8.281 3.430 -1.511 1.00 1.00 H new ATOM 373 N MET A 23 11.691 5.076 1.032 1.00 1.00 N ATOM 374 CA MET A 23 11.617 5.731 2.371 1.00 1.00 C ATOM 375 C MET A 23 12.507 6.973 2.365 1.00 1.00 C ATOM 376 O MET A 23 12.101 8.044 2.767 1.00 1.00 O ATOM 377 CB MET A 23 12.115 4.764 3.444 1.00 1.00 C ATOM 378 CG MET A 23 11.270 3.491 3.421 1.00 1.00 C ATOM 379 SD MET A 23 11.948 2.305 4.608 1.00 1.00 S ATOM 380 CE MET A 23 11.057 2.901 6.066 1.00 1.00 C ATOM 0 H MET A 23 12.637 4.912 0.688 1.00 1.00 H new ATOM 0 HA MET A 23 10.585 6.010 2.585 1.00 1.00 H new ATOM 0 HB2 MET A 23 13.163 4.520 3.269 1.00 1.00 H new ATOM 0 HB3 MET A 23 12.056 5.233 4.426 1.00 1.00 H new ATOM 0 HG2 MET A 23 10.235 3.723 3.671 1.00 1.00 H new ATOM 0 HG3 MET A 23 11.267 3.060 2.420 1.00 1.00 H new ATOM 0 HE1 MET A 23 11.656 2.719 6.958 1.00 1.00 H new ATOM 0 HE2 MET A 23 10.870 3.970 5.966 1.00 1.00 H new ATOM 0 HE3 MET A 23 10.107 2.373 6.153 1.00 1.00 H new ATOM 390 N ALA A 24 13.720 6.838 1.904 1.00 1.00 N ATOM 391 CA ALA A 24 14.631 8.014 1.864 1.00 1.00 C ATOM 392 C ALA A 24 14.150 8.965 0.769 1.00 1.00 C ATOM 393 O ALA A 24 14.784 9.955 0.462 1.00 1.00 O ATOM 394 CB ALA A 24 16.055 7.543 1.562 1.00 1.00 C ATOM 0 H ALA A 24 14.118 5.966 1.554 1.00 1.00 H new ATOM 0 HA ALA A 24 14.627 8.529 2.825 1.00 1.00 H new ATOM 0 HB1 ALA A 24 16.724 8.403 1.532 1.00 1.00 H new ATOM 0 HB2 ALA A 24 16.383 6.855 2.341 1.00 1.00 H new ATOM 0 HB3 ALA A 24 16.073 7.035 0.598 1.00 1.00 H new ATOM 400 N LYS A 25 13.026 8.660 0.180 1.00 1.00 N ATOM 401 CA LYS A 25 12.474 9.523 -0.899 1.00 1.00 C ATOM 402 C LYS A 25 12.328 10.959 -0.378 1.00 1.00 C ATOM 403 O LYS A 25 12.898 11.323 0.632 1.00 1.00 O ATOM 404 CB LYS A 25 11.092 8.972 -1.307 1.00 1.00 C ATOM 405 CG LYS A 25 11.093 8.505 -2.782 1.00 1.00 C ATOM 406 CD LYS A 25 10.511 7.084 -2.896 1.00 1.00 C ATOM 407 CE LYS A 25 9.735 6.948 -4.210 1.00 1.00 C ATOM 408 NZ LYS A 25 10.649 7.214 -5.357 1.00 1.00 N ATOM 0 H LYS A 25 12.462 7.840 0.404 1.00 1.00 H new ATOM 0 HA LYS A 25 13.142 9.525 -1.761 1.00 1.00 H new ATOM 0 HB2 LYS A 25 10.823 8.138 -0.658 1.00 1.00 H new ATOM 0 HB3 LYS A 25 10.334 9.742 -1.167 1.00 1.00 H new ATOM 0 HG2 LYS A 25 10.506 9.195 -3.389 1.00 1.00 H new ATOM 0 HG3 LYS A 25 12.110 8.521 -3.174 1.00 1.00 H new ATOM 0 HD2 LYS A 25 11.314 6.348 -2.859 1.00 1.00 H new ATOM 0 HD3 LYS A 25 9.853 6.881 -2.051 1.00 1.00 H new ATOM 0 HE2 LYS A 25 9.312 5.947 -4.293 1.00 1.00 H new ATOM 0 HE3 LYS A 25 8.900 7.649 -4.226 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 10.200 6.896 -6.240 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 10.844 8.234 -5.416 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 11.541 6.698 -5.217 1.00 1.00 H new ATOM 422 N ALA A 26 11.568 11.773 -1.062 1.00 1.00 N ATOM 423 CA ALA A 26 11.381 13.184 -0.612 1.00 1.00 C ATOM 424 C ALA A 26 10.018 13.332 0.070 1.00 1.00 C ATOM 425 O ALA A 26 9.800 14.241 0.846 1.00 1.00 O ATOM 426 CB ALA A 26 11.443 14.114 -1.826 1.00 1.00 C ATOM 0 H ALA A 26 11.068 11.521 -1.914 1.00 1.00 H new ATOM 0 HA ALA A 26 12.169 13.446 0.094 1.00 1.00 H new ATOM 0 HB1 ALA A 26 11.307 15.146 -1.501 1.00 1.00 H new ATOM 0 HB2 ALA A 26 12.413 14.012 -2.313 1.00 1.00 H new ATOM 0 HB3 ALA A 26 10.654 13.848 -2.529 1.00 1.00 H new ATOM 432 N LEU A 27 9.097 12.449 -0.213 1.00 1.00 N ATOM 433 CA LEU A 27 7.749 12.548 0.421 1.00 1.00 C ATOM 434 C LEU A 27 7.722 11.717 1.707 1.00 1.00 C ATOM 435 O LEU A 27 6.732 11.677 2.408 1.00 1.00 O ATOM 436 CB LEU A 27 6.684 12.030 -0.555 1.00 1.00 C ATOM 437 CG LEU A 27 6.828 10.506 -0.741 1.00 1.00 C ATOM 438 CD1 LEU A 27 5.743 9.776 0.058 1.00 1.00 C ATOM 439 CD2 LEU A 27 6.677 10.151 -2.223 1.00 1.00 C ATOM 0 H LEU A 27 9.219 11.665 -0.854 1.00 1.00 H new ATOM 0 HA LEU A 27 7.538 13.589 0.664 1.00 1.00 H new ATOM 0 HB2 LEU A 27 5.689 12.265 -0.177 1.00 1.00 H new ATOM 0 HB3 LEU A 27 6.787 12.532 -1.517 1.00 1.00 H new ATOM 0 HG LEU A 27 7.812 10.200 -0.385 1.00 1.00 H new ATOM 0 HD11 LEU A 27 5.852 8.700 -0.079 1.00 1.00 H new ATOM 0 HD12 LEU A 27 5.844 10.019 1.116 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.760 10.089 -0.294 1.00 1.00 H new ATOM 0 HD21 LEU A 27 6.779 9.073 -2.351 1.00 1.00 H new ATOM 0 HD22 LEU A 27 5.695 10.467 -2.575 1.00 1.00 H new ATOM 0 HD23 LEU A 27 7.449 10.660 -2.800 1.00 1.00 H new ATOM 451 N PHE A 28 8.809 11.062 2.025 1.00 1.00 N ATOM 452 CA PHE A 28 8.859 10.238 3.271 1.00 1.00 C ATOM 453 C PHE A 28 9.845 10.871 4.256 1.00 1.00 C ATOM 454 O PHE A 28 9.540 11.057 5.413 1.00 1.00 O ATOM 455 CB PHE A 28 9.328 8.818 2.927 1.00 1.00 C ATOM 456 CG PHE A 28 8.143 7.964 2.529 1.00 1.00 C ATOM 457 CD1 PHE A 28 7.128 7.699 3.457 1.00 1.00 C ATOM 458 CD2 PHE A 28 8.064 7.433 1.235 1.00 1.00 C ATOM 459 CE1 PHE A 28 6.034 6.905 3.091 1.00 1.00 C ATOM 460 CE2 PHE A 28 6.970 6.639 0.870 1.00 1.00 C ATOM 461 CZ PHE A 28 5.956 6.375 1.797 1.00 1.00 C ATOM 0 H PHE A 28 9.667 11.062 1.474 1.00 1.00 H new ATOM 0 HA PHE A 28 7.867 10.195 3.720 1.00 1.00 H new ATOM 0 HB2 PHE A 28 10.052 8.852 2.113 1.00 1.00 H new ATOM 0 HB3 PHE A 28 9.834 8.375 3.785 1.00 1.00 H new ATOM 0 HD1 PHE A 28 7.189 8.107 4.455 1.00 1.00 H new ATOM 0 HD2 PHE A 28 8.847 7.636 0.519 1.00 1.00 H new ATOM 0 HE1 PHE A 28 5.251 6.701 3.806 1.00 1.00 H new ATOM 0 HE2 PHE A 28 6.909 6.230 -0.128 1.00 1.00 H new ATOM 0 HZ PHE A 28 5.113 5.762 1.515 1.00 1.00 H new ATOM 471 N ASP A 29 11.026 11.197 3.799 1.00 1.00 N ATOM 472 CA ASP A 29 12.050 11.818 4.695 1.00 1.00 C ATOM 473 C ASP A 29 12.809 10.718 5.448 1.00 1.00 C ATOM 474 O ASP A 29 13.182 10.880 6.594 1.00 1.00 O ATOM 475 CB ASP A 29 11.378 12.767 5.699 1.00 1.00 C ATOM 476 CG ASP A 29 12.345 13.894 6.072 1.00 1.00 C ATOM 477 OD1 ASP A 29 13.542 13.668 5.998 1.00 1.00 O ATOM 478 OD2 ASP A 29 11.872 14.962 6.425 1.00 1.00 O ATOM 0 H ASP A 29 11.329 11.059 2.835 1.00 1.00 H new ATOM 0 HA ASP A 29 12.749 12.392 4.087 1.00 1.00 H new ATOM 0 HB2 ASP A 29 10.468 13.184 5.267 1.00 1.00 H new ATOM 0 HB3 ASP A 29 11.084 12.217 6.593 1.00 1.00 H new ATOM 483 N CYS A 30 13.050 9.607 4.806 1.00 1.00 N ATOM 484 CA CYS A 30 13.798 8.498 5.468 1.00 1.00 C ATOM 485 C CYS A 30 13.140 8.126 6.803 1.00 1.00 C ATOM 486 O CYS A 30 13.721 8.291 7.856 1.00 1.00 O ATOM 487 CB CYS A 30 15.242 8.944 5.720 1.00 1.00 C ATOM 488 SG CYS A 30 16.125 7.656 6.635 1.00 1.00 S ATOM 0 H CYS A 30 12.760 9.418 3.847 1.00 1.00 H new ATOM 0 HA CYS A 30 13.784 7.625 4.816 1.00 1.00 H new ATOM 0 HB2 CYS A 30 15.743 9.139 4.772 1.00 1.00 H new ATOM 0 HB3 CYS A 30 15.252 9.877 6.284 1.00 1.00 H new ATOM 493 N LYS A 31 11.938 7.613 6.769 1.00 1.00 N ATOM 494 CA LYS A 31 11.261 7.223 8.042 1.00 1.00 C ATOM 495 C LYS A 31 11.960 5.996 8.630 1.00 1.00 C ATOM 496 O LYS A 31 13.164 5.855 8.554 1.00 1.00 O ATOM 497 CB LYS A 31 9.795 6.868 7.765 1.00 1.00 C ATOM 498 CG LYS A 31 9.129 7.959 6.920 1.00 1.00 C ATOM 499 CD LYS A 31 9.148 9.308 7.651 1.00 1.00 C ATOM 500 CE LYS A 31 8.582 9.159 9.067 1.00 1.00 C ATOM 501 NZ LYS A 31 7.422 8.222 9.048 1.00 1.00 N ATOM 0 H LYS A 31 11.398 7.448 5.920 1.00 1.00 H new ATOM 0 HA LYS A 31 11.310 8.057 8.742 1.00 1.00 H new ATOM 0 HB2 LYS A 31 9.738 5.912 7.245 1.00 1.00 H new ATOM 0 HB3 LYS A 31 9.259 6.751 8.707 1.00 1.00 H new ATOM 0 HG2 LYS A 31 9.647 8.051 5.965 1.00 1.00 H new ATOM 0 HG3 LYS A 31 8.100 7.675 6.699 1.00 1.00 H new ATOM 0 HD2 LYS A 31 10.169 9.688 7.699 1.00 1.00 H new ATOM 0 HD3 LYS A 31 8.562 10.039 7.094 1.00 1.00 H new ATOM 0 HE2 LYS A 31 9.353 8.785 9.740 1.00 1.00 H new ATOM 0 HE3 LYS A 31 8.270 10.131 9.449 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 6.728 8.514 9.765 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 6.977 8.240 8.108 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 7.751 7.258 9.257 1.00 1.00 H new ATOM 515 N LYS A 32 11.203 5.101 9.211 1.00 1.00 N ATOM 516 CA LYS A 32 11.803 3.870 9.806 1.00 1.00 C ATOM 517 C LYS A 32 10.924 2.663 9.454 1.00 1.00 C ATOM 518 O LYS A 32 11.405 1.562 9.274 1.00 1.00 O ATOM 519 CB LYS A 32 11.885 4.020 11.327 1.00 1.00 C ATOM 520 CG LYS A 32 10.505 4.386 11.884 1.00 1.00 C ATOM 521 CD LYS A 32 10.566 4.458 13.416 1.00 1.00 C ATOM 522 CE LYS A 32 10.303 3.072 14.013 1.00 1.00 C ATOM 523 NZ LYS A 32 8.844 2.774 13.951 1.00 1.00 N ATOM 0 H LYS A 32 10.189 5.171 9.299 1.00 1.00 H new ATOM 0 HA LYS A 32 12.807 3.722 9.407 1.00 1.00 H new ATOM 0 HB2 LYS A 32 12.234 3.090 11.776 1.00 1.00 H new ATOM 0 HB3 LYS A 32 12.610 4.791 11.588 1.00 1.00 H new ATOM 0 HG2 LYS A 32 10.181 5.344 11.478 1.00 1.00 H new ATOM 0 HG3 LYS A 32 9.769 3.644 11.575 1.00 1.00 H new ATOM 0 HD2 LYS A 32 11.544 4.821 13.733 1.00 1.00 H new ATOM 0 HD3 LYS A 32 9.827 5.169 13.785 1.00 1.00 H new ATOM 0 HE2 LYS A 32 10.863 2.315 13.464 1.00 1.00 H new ATOM 0 HE3 LYS A 32 10.649 3.038 15.046 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 8.638 1.926 14.517 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 8.308 3.581 14.329 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 8.566 2.606 12.963 1.00 1.00 H new ATOM 537 N THR A 33 9.638 2.869 9.345 1.00 1.00 N ATOM 538 CA THR A 33 8.716 1.748 8.995 1.00 1.00 C ATOM 539 C THR A 33 7.795 2.208 7.864 1.00 1.00 C ATOM 540 O THR A 33 7.212 3.273 7.926 1.00 1.00 O ATOM 541 CB THR A 33 7.878 1.374 10.221 1.00 1.00 C ATOM 542 OG1 THR A 33 8.726 1.264 11.356 1.00 1.00 O ATOM 543 CG2 THR A 33 7.177 0.037 9.975 1.00 1.00 C ATOM 0 H THR A 33 9.184 3.772 9.484 1.00 1.00 H new ATOM 0 HA THR A 33 9.289 0.878 8.676 1.00 1.00 H new ATOM 0 HB THR A 33 7.129 2.146 10.399 1.00 1.00 H new ATOM 0 HG1 THR A 33 8.194 1.011 12.139 1.00 1.00 H new ATOM 0 HG21 THR A 33 6.581 -0.228 10.849 1.00 1.00 H new ATOM 0 HG22 THR A 33 6.527 0.122 9.104 1.00 1.00 H new ATOM 0 HG23 THR A 33 7.923 -0.738 9.797 1.00 1.00 H new ATOM 551 N ASN A 34 7.666 1.425 6.826 1.00 1.00 N ATOM 552 CA ASN A 34 6.789 1.840 5.692 1.00 1.00 C ATOM 553 C ASN A 34 6.077 0.621 5.103 1.00 1.00 C ATOM 554 O ASN A 34 6.575 -0.487 5.143 1.00 1.00 O ATOM 555 CB ASN A 34 7.645 2.494 4.607 1.00 1.00 C ATOM 556 CG ASN A 34 8.038 3.906 5.043 1.00 1.00 C ATOM 557 OD1 ASN A 34 8.524 4.103 6.140 1.00 1.00 O ATOM 558 ND2 ASN A 34 7.847 4.905 4.226 1.00 1.00 N ATOM 0 H ASN A 34 8.127 0.522 6.714 1.00 1.00 H new ATOM 0 HA ASN A 34 6.044 2.547 6.058 1.00 1.00 H new ATOM 0 HB2 ASN A 34 8.539 1.897 4.426 1.00 1.00 H new ATOM 0 HB3 ASN A 34 7.092 2.533 3.668 1.00 1.00 H new ATOM 0 HD21 ASN A 34 8.105 5.851 4.508 1.00 1.00 H new ATOM 0 HD22 ASN A 34 7.439 4.740 3.306 1.00 1.00 H new ATOM 565 N THR A 35 4.910 0.827 4.550 1.00 1.00 N ATOM 566 CA THR A 35 4.143 -0.301 3.947 1.00 1.00 C ATOM 567 C THR A 35 3.551 0.157 2.610 1.00 1.00 C ATOM 568 O THR A 35 3.308 1.328 2.401 1.00 1.00 O ATOM 569 CB THR A 35 3.013 -0.713 4.895 1.00 1.00 C ATOM 570 OG1 THR A 35 3.569 -1.309 6.059 1.00 1.00 O ATOM 571 CG2 THR A 35 2.095 -1.718 4.195 1.00 1.00 C ATOM 0 H THR A 35 4.453 1.737 4.490 1.00 1.00 H new ATOM 0 HA THR A 35 4.804 -1.153 3.784 1.00 1.00 H new ATOM 0 HB THR A 35 2.435 0.168 5.176 1.00 1.00 H new ATOM 0 HG1 THR A 35 2.848 -1.572 6.668 1.00 1.00 H new ATOM 0 HG21 THR A 35 1.292 -2.010 4.872 1.00 1.00 H new ATOM 0 HG22 THR A 35 1.669 -1.261 3.302 1.00 1.00 H new ATOM 0 HG23 THR A 35 2.670 -2.600 3.912 1.00 1.00 H new ATOM 579 N PHE A 36 3.306 -0.755 1.710 1.00 1.00 N ATOM 580 CA PHE A 36 2.716 -0.360 0.394 1.00 1.00 C ATOM 581 C PHE A 36 1.967 -1.562 -0.187 1.00 1.00 C ATOM 582 O PHE A 36 2.004 -2.638 0.364 1.00 1.00 O ATOM 583 CB PHE A 36 3.814 0.074 -0.591 1.00 1.00 C ATOM 584 CG PHE A 36 5.066 0.492 0.146 1.00 1.00 C ATOM 585 CD1 PHE A 36 5.230 1.821 0.556 1.00 1.00 C ATOM 586 CD2 PHE A 36 6.075 -0.443 0.391 1.00 1.00 C ATOM 587 CE1 PHE A 36 6.404 2.209 1.210 1.00 1.00 C ATOM 588 CE2 PHE A 36 7.243 -0.057 1.049 1.00 1.00 C ATOM 589 CZ PHE A 36 7.411 1.266 1.458 1.00 1.00 C ATOM 0 H PHE A 36 3.487 -1.752 1.825 1.00 1.00 H new ATOM 0 HA PHE A 36 2.038 0.480 0.547 1.00 1.00 H new ATOM 0 HB2 PHE A 36 4.044 -0.747 -1.270 1.00 1.00 H new ATOM 0 HB3 PHE A 36 3.454 0.902 -1.202 1.00 1.00 H new ATOM 0 HD1 PHE A 36 4.451 2.545 0.368 1.00 1.00 H new ATOM 0 HD2 PHE A 36 5.950 -1.467 0.070 1.00 1.00 H new ATOM 0 HE1 PHE A 36 6.534 3.234 1.524 1.00 1.00 H new ATOM 0 HE2 PHE A 36 8.018 -0.784 1.242 1.00 1.00 H new ATOM 0 HZ PHE A 36 8.317 1.564 1.966 1.00 1.00 H new ATOM 599 N ILE A 37 1.282 -1.385 -1.293 1.00 1.00 N ATOM 600 CA ILE A 37 0.522 -2.517 -1.900 1.00 1.00 C ATOM 601 C ILE A 37 0.977 -2.732 -3.344 1.00 1.00 C ATOM 602 O ILE A 37 1.213 -1.789 -4.083 1.00 1.00 O ATOM 603 CB ILE A 37 -0.975 -2.189 -1.872 1.00 1.00 C ATOM 604 CG1 ILE A 37 -1.392 -1.779 -0.445 1.00 1.00 C ATOM 605 CG2 ILE A 37 -1.774 -3.421 -2.304 1.00 1.00 C ATOM 606 CD1 ILE A 37 -2.604 -0.837 -0.493 1.00 1.00 C ATOM 0 H ILE A 37 1.219 -0.502 -1.800 1.00 1.00 H new ATOM 0 HA ILE A 37 0.708 -3.428 -1.331 1.00 1.00 H new ATOM 0 HB ILE A 37 -1.177 -1.365 -2.556 1.00 1.00 H new ATOM 0 HG12 ILE A 37 -1.636 -2.667 0.139 1.00 1.00 H new ATOM 0 HG13 ILE A 37 -0.559 -1.286 0.057 1.00 1.00 H new ATOM 0 HG21 ILE A 37 -2.839 -3.189 -2.285 1.00 1.00 H new ATOM 0 HG22 ILE A 37 -1.483 -3.707 -3.315 1.00 1.00 H new ATOM 0 HG23 ILE A 37 -1.570 -4.245 -1.621 1.00 1.00 H new ATOM 0 HD11 ILE A 37 -2.887 -0.556 0.521 1.00 1.00 H new ATOM 0 HD12 ILE A 37 -2.347 0.058 -1.059 1.00 1.00 H new ATOM 0 HD13 ILE A 37 -3.440 -1.344 -0.976 1.00 1.00 H new ATOM 618 N TYR A 38 1.109 -3.971 -3.753 1.00 1.00 N ATOM 619 CA TYR A 38 1.548 -4.253 -5.153 1.00 1.00 C ATOM 620 C TYR A 38 0.319 -4.487 -6.035 1.00 1.00 C ATOM 621 O TYR A 38 -0.287 -5.540 -6.005 1.00 1.00 O ATOM 622 CB TYR A 38 2.435 -5.502 -5.174 1.00 1.00 C ATOM 623 CG TYR A 38 2.707 -5.908 -6.604 1.00 1.00 C ATOM 624 CD1 TYR A 38 3.558 -5.134 -7.401 1.00 1.00 C ATOM 625 CD2 TYR A 38 2.105 -7.057 -7.133 1.00 1.00 C ATOM 626 CE1 TYR A 38 3.808 -5.510 -8.727 1.00 1.00 C ATOM 627 CE2 TYR A 38 2.355 -7.432 -8.458 1.00 1.00 C ATOM 628 CZ TYR A 38 3.206 -6.658 -9.255 1.00 1.00 C ATOM 629 OH TYR A 38 3.453 -7.029 -10.561 1.00 1.00 O ATOM 0 H TYR A 38 0.932 -4.795 -3.179 1.00 1.00 H new ATOM 0 HA TYR A 38 2.113 -3.402 -5.532 1.00 1.00 H new ATOM 0 HB2 TYR A 38 3.374 -5.302 -4.657 1.00 1.00 H new ATOM 0 HB3 TYR A 38 1.945 -6.317 -4.641 1.00 1.00 H new ATOM 0 HD1 TYR A 38 4.022 -4.248 -6.994 1.00 1.00 H new ATOM 0 HD2 TYR A 38 1.448 -7.654 -6.518 1.00 1.00 H new ATOM 0 HE1 TYR A 38 4.466 -4.914 -9.342 1.00 1.00 H new ATOM 0 HE2 TYR A 38 1.891 -8.318 -8.865 1.00 1.00 H new ATOM 0 HH TYR A 38 2.958 -7.849 -10.767 1.00 1.00 H new ATOM 639 N ALA A 39 -0.054 -3.514 -6.821 1.00 1.00 N ATOM 640 CA ALA A 39 -1.242 -3.682 -7.706 1.00 1.00 C ATOM 641 C ALA A 39 -1.216 -2.611 -8.799 1.00 1.00 C ATOM 642 O ALA A 39 -0.656 -1.548 -8.623 1.00 1.00 O ATOM 643 CB ALA A 39 -2.520 -3.536 -6.878 1.00 1.00 C ATOM 0 H ALA A 39 0.413 -2.610 -6.889 1.00 1.00 H new ATOM 0 HA ALA A 39 -1.218 -4.671 -8.164 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -3.389 -3.659 -7.525 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -2.538 -4.298 -6.098 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -2.546 -2.547 -6.420 1.00 1.00 H new ATOM 649 N LEU A 40 -1.819 -2.881 -9.927 1.00 1.00 N ATOM 650 CA LEU A 40 -1.826 -1.877 -11.030 1.00 1.00 C ATOM 651 C LEU A 40 -3.105 -1.026 -10.931 1.00 1.00 C ATOM 652 O LEU A 40 -4.138 -1.499 -10.500 1.00 1.00 O ATOM 653 CB LEU A 40 -1.722 -2.617 -12.380 1.00 1.00 C ATOM 654 CG LEU A 40 -3.106 -2.875 -12.993 1.00 1.00 C ATOM 655 CD1 LEU A 40 -3.482 -1.706 -13.905 1.00 1.00 C ATOM 656 CD2 LEU A 40 -3.065 -4.163 -13.823 1.00 1.00 C ATOM 0 H LEU A 40 -2.307 -3.753 -10.131 1.00 1.00 H new ATOM 0 HA LEU A 40 -0.973 -1.203 -10.950 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -1.121 -2.028 -13.073 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -1.205 -3.566 -12.236 1.00 1.00 H new ATOM 0 HG LEU A 40 -3.843 -2.974 -12.196 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -4.464 -1.887 -14.342 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -3.507 -0.784 -13.324 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -2.743 -1.613 -14.701 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -4.047 -4.347 -14.258 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -2.329 -4.059 -14.620 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -2.790 -5.000 -13.182 1.00 1.00 H new ATOM 668 N PRO A 41 -3.027 0.228 -11.306 1.00 1.00 N ATOM 669 CA PRO A 41 -4.179 1.169 -11.239 1.00 1.00 C ATOM 670 C PRO A 41 -5.520 0.501 -11.560 1.00 1.00 C ATOM 671 O PRO A 41 -6.458 0.567 -10.790 1.00 1.00 O ATOM 672 CB PRO A 41 -3.846 2.216 -12.303 1.00 1.00 C ATOM 673 CG PRO A 41 -2.353 2.197 -12.456 1.00 1.00 C ATOM 674 CD PRO A 41 -1.828 0.890 -11.839 1.00 1.00 C ATOM 0 HA PRO A 41 -4.302 1.574 -10.235 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -4.337 1.981 -13.247 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -4.194 3.204 -12.000 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -2.077 2.259 -13.509 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -1.908 3.059 -11.959 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -1.331 0.270 -12.585 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -1.100 1.087 -11.052 1.00 1.00 H new ATOM 682 N GLY A 42 -5.621 -0.125 -12.696 1.00 1.00 N ATOM 683 CA GLY A 42 -6.906 -0.782 -13.078 1.00 1.00 C ATOM 684 C GLY A 42 -7.346 -1.758 -11.984 1.00 1.00 C ATOM 685 O GLY A 42 -8.456 -1.701 -11.504 1.00 1.00 O ATOM 0 H GLY A 42 -4.870 -0.212 -13.380 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -7.677 -0.027 -13.234 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -6.785 -1.313 -14.022 1.00 1.00 H new ATOM 689 N ARG A 43 -6.487 -2.654 -11.591 1.00 1.00 N ATOM 690 CA ARG A 43 -6.852 -3.641 -10.536 1.00 1.00 C ATOM 691 C ARG A 43 -7.163 -2.916 -9.223 1.00 1.00 C ATOM 692 O ARG A 43 -7.899 -3.409 -8.393 1.00 1.00 O ATOM 693 CB ARG A 43 -5.680 -4.600 -10.313 1.00 1.00 C ATOM 694 CG ARG A 43 -5.592 -5.584 -11.482 1.00 1.00 C ATOM 695 CD ARG A 43 -4.531 -6.643 -11.176 1.00 1.00 C ATOM 696 NE ARG A 43 -4.616 -7.736 -12.186 1.00 1.00 N ATOM 697 CZ ARG A 43 -4.121 -8.913 -11.916 1.00 1.00 C ATOM 698 NH1 ARG A 43 -3.548 -9.132 -10.764 1.00 1.00 N ATOM 699 NH2 ARG A 43 -4.199 -9.871 -12.798 1.00 1.00 N ATOM 0 H ARG A 43 -5.540 -2.747 -11.958 1.00 1.00 H new ATOM 0 HA ARG A 43 -7.733 -4.196 -10.858 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -4.750 -4.039 -10.226 1.00 1.00 H new ATOM 0 HB3 ARG A 43 -5.814 -5.143 -9.377 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -6.559 -6.059 -11.645 1.00 1.00 H new ATOM 0 HG3 ARG A 43 -5.338 -5.054 -12.400 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -3.538 -6.194 -11.193 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -4.682 -7.046 -10.174 1.00 1.00 H new ATOM 0 HE ARG A 43 -5.061 -7.564 -13.088 1.00 1.00 H new ATOM 0 HH11 ARG A 43 -3.487 -8.383 -10.074 1.00 1.00 H new ATOM 0 HH12 ARG A 43 -3.161 -10.052 -10.553 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -4.647 -9.700 -13.698 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -3.812 -10.791 -12.587 1.00 1.00 H new ATOM 713 N VAL A 44 -6.603 -1.756 -9.024 1.00 1.00 N ATOM 714 CA VAL A 44 -6.862 -1.012 -7.758 1.00 1.00 C ATOM 715 C VAL A 44 -8.219 -0.312 -7.832 1.00 1.00 C ATOM 716 O VAL A 44 -9.091 -0.543 -7.019 1.00 1.00 O ATOM 717 CB VAL A 44 -5.760 0.026 -7.547 1.00 1.00 C ATOM 718 CG1 VAL A 44 -6.038 0.817 -6.265 1.00 1.00 C ATOM 719 CG2 VAL A 44 -4.412 -0.688 -7.425 1.00 1.00 C ATOM 0 H VAL A 44 -5.978 -1.290 -9.682 1.00 1.00 H new ATOM 0 HA VAL A 44 -6.870 -1.713 -6.923 1.00 1.00 H new ATOM 0 HB VAL A 44 -5.737 0.711 -8.395 1.00 1.00 H new ATOM 0 HG11 VAL A 44 -5.251 1.557 -6.116 1.00 1.00 H new ATOM 0 HG12 VAL A 44 -7.000 1.323 -6.351 1.00 1.00 H new ATOM 0 HG13 VAL A 44 -6.061 0.135 -5.415 1.00 1.00 H new ATOM 0 HG21 VAL A 44 -3.623 0.048 -7.274 1.00 1.00 H new ATOM 0 HG22 VAL A 44 -4.438 -1.371 -6.576 1.00 1.00 H new ATOM 0 HG23 VAL A 44 -4.214 -1.250 -8.338 1.00 1.00 H new ATOM 729 N LYS A 45 -8.410 0.537 -8.803 1.00 1.00 N ATOM 730 CA LYS A 45 -9.718 1.240 -8.924 1.00 1.00 C ATOM 731 C LYS A 45 -10.802 0.212 -9.246 1.00 1.00 C ATOM 732 O LYS A 45 -11.979 0.445 -9.048 1.00 1.00 O ATOM 733 CB LYS A 45 -9.641 2.282 -10.044 1.00 1.00 C ATOM 734 CG LYS A 45 -9.548 1.579 -11.401 1.00 1.00 C ATOM 735 CD LYS A 45 -9.137 2.591 -12.480 1.00 1.00 C ATOM 736 CE LYS A 45 -9.690 2.153 -13.840 1.00 1.00 C ATOM 737 NZ LYS A 45 -8.957 2.861 -14.927 1.00 1.00 N ATOM 0 H LYS A 45 -7.720 0.774 -9.516 1.00 1.00 H new ATOM 0 HA LYS A 45 -9.956 1.745 -7.988 1.00 1.00 H new ATOM 0 HB2 LYS A 45 -10.521 2.924 -10.017 1.00 1.00 H new ATOM 0 HB3 LYS A 45 -8.773 2.924 -9.897 1.00 1.00 H new ATOM 0 HG2 LYS A 45 -8.821 0.769 -11.353 1.00 1.00 H new ATOM 0 HG3 LYS A 45 -10.508 1.131 -11.656 1.00 1.00 H new ATOM 0 HD2 LYS A 45 -9.515 3.581 -12.225 1.00 1.00 H new ATOM 0 HD3 LYS A 45 -8.051 2.666 -12.526 1.00 1.00 H new ATOM 0 HE2 LYS A 45 -9.583 1.075 -13.958 1.00 1.00 H new ATOM 0 HE3 LYS A 45 -10.755 2.376 -13.900 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 -9.333 2.563 -15.850 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 -9.081 3.888 -14.818 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 -7.945 2.627 -14.873 1.00 1.00 H new ATOM 751 N ALA A 46 -10.406 -0.926 -9.741 1.00 1.00 N ATOM 752 CA ALA A 46 -11.392 -1.987 -10.084 1.00 1.00 C ATOM 753 C ALA A 46 -11.872 -2.670 -8.802 1.00 1.00 C ATOM 754 O ALA A 46 -13.038 -2.975 -8.649 1.00 1.00 O ATOM 755 CB ALA A 46 -10.719 -3.020 -10.992 1.00 1.00 C ATOM 0 H ALA A 46 -9.432 -1.169 -9.924 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.245 -1.545 -10.599 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -11.435 -3.801 -11.248 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -10.373 -2.533 -11.903 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -9.870 -3.463 -10.472 1.00 1.00 H new ATOM 761 N LEU A 47 -10.981 -2.914 -7.879 1.00 1.00 N ATOM 762 CA LEU A 47 -11.386 -3.578 -6.609 1.00 1.00 C ATOM 763 C LEU A 47 -12.255 -2.626 -5.786 1.00 1.00 C ATOM 764 O LEU A 47 -12.739 -2.974 -4.728 1.00 1.00 O ATOM 765 CB LEU A 47 -10.136 -3.950 -5.805 1.00 1.00 C ATOM 766 CG LEU A 47 -9.408 -5.119 -6.485 1.00 1.00 C ATOM 767 CD1 LEU A 47 -7.952 -5.159 -6.013 1.00 1.00 C ATOM 768 CD2 LEU A 47 -10.091 -6.443 -6.122 1.00 1.00 C ATOM 0 H LEU A 47 -9.990 -2.682 -7.951 1.00 1.00 H new ATOM 0 HA LEU A 47 -11.954 -4.480 -6.839 1.00 1.00 H new ATOM 0 HB2 LEU A 47 -9.471 -3.090 -5.731 1.00 1.00 H new ATOM 0 HB3 LEU A 47 -10.415 -4.226 -4.788 1.00 1.00 H new ATOM 0 HG LEU A 47 -9.442 -4.978 -7.565 1.00 1.00 H new ATOM 0 HD11 LEU A 47 -7.436 -5.989 -6.496 1.00 1.00 H new ATOM 0 HD12 LEU A 47 -7.459 -4.223 -6.275 1.00 1.00 H new ATOM 0 HD13 LEU A 47 -7.924 -5.294 -4.932 1.00 1.00 H new ATOM 0 HD21 LEU A 47 -9.569 -7.267 -6.608 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -10.063 -6.583 -5.041 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -11.128 -6.422 -6.458 1.00 1.00 H new ATOM 780 N CYS A 48 -12.461 -1.426 -6.265 1.00 1.00 N ATOM 781 CA CYS A 48 -13.304 -0.448 -5.514 1.00 1.00 C ATOM 782 C CYS A 48 -14.617 -0.245 -6.270 1.00 1.00 C ATOM 783 O CYS A 48 -15.578 0.272 -5.740 1.00 1.00 O ATOM 784 CB CYS A 48 -12.558 0.891 -5.402 1.00 1.00 C ATOM 785 SG CYS A 48 -11.827 1.047 -3.753 1.00 1.00 S ATOM 0 H CYS A 48 -12.081 -1.081 -7.146 1.00 1.00 H new ATOM 0 HA CYS A 48 -13.511 -0.826 -4.513 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -11.779 0.949 -6.162 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -13.245 1.717 -5.585 1.00 1.00 H new ATOM 790 N LYS A 49 -14.662 -0.649 -7.508 1.00 1.00 N ATOM 791 CA LYS A 49 -15.908 -0.479 -8.303 1.00 1.00 C ATOM 792 C LYS A 49 -17.039 -1.299 -7.671 1.00 1.00 C ATOM 793 O LYS A 49 -16.802 -2.275 -6.989 1.00 1.00 O ATOM 794 CB LYS A 49 -15.655 -0.948 -9.741 1.00 1.00 C ATOM 795 CG LYS A 49 -15.835 -2.467 -9.842 1.00 1.00 C ATOM 796 CD LYS A 49 -15.181 -2.980 -11.127 1.00 1.00 C ATOM 797 CE LYS A 49 -15.715 -2.192 -12.326 1.00 1.00 C ATOM 798 NZ LYS A 49 -17.196 -2.073 -12.223 1.00 1.00 N ATOM 0 H LYS A 49 -13.888 -1.090 -8.004 1.00 1.00 H new ATOM 0 HA LYS A 49 -16.199 0.571 -8.313 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -16.344 -0.447 -10.421 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -14.646 -0.673 -10.049 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -15.388 -2.954 -8.975 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -16.896 -2.718 -9.837 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -14.098 -2.874 -11.063 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -15.391 -4.042 -11.255 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -15.261 -1.201 -12.355 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -15.444 -2.694 -13.255 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -17.613 -2.092 -13.176 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -17.570 -2.867 -11.666 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -17.441 -1.177 -11.755 1.00 1.00 H new ATOM 812 N ASN A 50 -18.264 -0.907 -7.899 1.00 1.00 N ATOM 813 CA ASN A 50 -19.417 -1.659 -7.321 1.00 1.00 C ATOM 814 C ASN A 50 -19.523 -1.379 -5.819 1.00 1.00 C ATOM 815 O ASN A 50 -20.510 -1.705 -5.189 1.00 1.00 O ATOM 816 CB ASN A 50 -19.220 -3.164 -7.553 1.00 1.00 C ATOM 817 CG ASN A 50 -20.583 -3.857 -7.631 1.00 1.00 C ATOM 818 OD1 ASN A 50 -20.836 -4.805 -6.916 1.00 1.00 O ATOM 819 ND2 ASN A 50 -21.476 -3.420 -8.476 1.00 1.00 N ATOM 0 H ASN A 50 -18.517 -0.095 -8.463 1.00 1.00 H new ATOM 0 HA ASN A 50 -20.336 -1.335 -7.810 1.00 1.00 H new ATOM 0 HB2 ASN A 50 -18.664 -3.330 -8.476 1.00 1.00 H new ATOM 0 HB3 ASN A 50 -18.629 -3.592 -6.743 1.00 1.00 H new ATOM 0 HD21 ASN A 50 -22.387 -3.875 -8.536 1.00 1.00 H new ATOM 0 HD22 ASN A 50 -21.263 -2.623 -9.077 1.00 1.00 H new ATOM 826 N ILE A 51 -18.519 -0.781 -5.236 1.00 1.00 N ATOM 827 CA ILE A 51 -18.579 -0.489 -3.777 1.00 1.00 C ATOM 828 C ILE A 51 -19.464 0.733 -3.537 1.00 1.00 C ATOM 829 O ILE A 51 -19.898 1.391 -4.462 1.00 1.00 O ATOM 830 CB ILE A 51 -17.168 -0.209 -3.250 1.00 1.00 C ATOM 831 CG1 ILE A 51 -16.280 -1.442 -3.472 1.00 1.00 C ATOM 832 CG2 ILE A 51 -17.223 0.122 -1.756 1.00 1.00 C ATOM 833 CD1 ILE A 51 -16.893 -2.666 -2.780 1.00 1.00 C ATOM 0 H ILE A 51 -17.664 -0.484 -5.706 1.00 1.00 H new ATOM 0 HA ILE A 51 -18.997 -1.349 -3.254 1.00 1.00 H new ATOM 0 HB ILE A 51 -16.750 0.641 -3.788 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -16.172 -1.634 -4.539 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -15.281 -1.255 -3.079 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -16.216 0.320 -1.390 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -17.845 1.004 -1.601 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -17.648 -0.722 -1.212 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -16.255 -3.534 -2.944 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -16.978 -2.475 -1.710 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -17.883 -2.860 -3.193 1.00 1.00 H new ATOM 845 N ARG A 52 -19.731 1.038 -2.299 1.00 1.00 N ATOM 846 CA ARG A 52 -20.590 2.217 -1.981 1.00 1.00 C ATOM 847 C ARG A 52 -19.701 3.400 -1.578 1.00 1.00 C ATOM 848 O ARG A 52 -18.516 3.413 -1.841 1.00 1.00 O ATOM 849 CB ARG A 52 -21.537 1.860 -0.825 1.00 1.00 C ATOM 850 CG ARG A 52 -22.894 2.539 -1.036 1.00 1.00 C ATOM 851 CD ARG A 52 -23.789 2.286 0.179 1.00 1.00 C ATOM 852 NE ARG A 52 -25.199 2.627 -0.164 1.00 1.00 N ATOM 853 CZ ARG A 52 -25.597 3.869 -0.131 1.00 1.00 C ATOM 854 NH1 ARG A 52 -24.764 4.812 0.209 1.00 1.00 N ATOM 855 NH2 ARG A 52 -26.831 4.167 -0.436 1.00 1.00 N ATOM 0 H ARG A 52 -19.391 0.521 -1.488 1.00 1.00 H new ATOM 0 HA ARG A 52 -21.178 2.491 -2.857 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -21.666 0.779 -0.769 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -21.104 2.179 0.123 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -22.757 3.610 -1.183 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -23.369 2.152 -1.937 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -23.720 1.242 0.484 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -23.453 2.888 1.023 1.00 1.00 H new ATOM 0 HE ARG A 52 -25.853 1.889 -0.425 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -23.800 4.579 0.449 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -25.076 5.783 0.235 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -27.484 3.429 -0.700 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -27.142 5.138 -0.410 1.00 1.00 H new ATOM 869 N ASP A 53 -20.267 4.388 -0.943 1.00 1.00 N ATOM 870 CA ASP A 53 -19.463 5.573 -0.523 1.00 1.00 C ATOM 871 C ASP A 53 -18.329 5.140 0.398 1.00 1.00 C ATOM 872 O ASP A 53 -17.821 4.039 0.316 1.00 1.00 O ATOM 873 CB ASP A 53 -20.368 6.559 0.218 1.00 1.00 C ATOM 874 CG ASP A 53 -20.854 5.928 1.523 1.00 1.00 C ATOM 875 OD1 ASP A 53 -20.824 4.712 1.617 1.00 1.00 O ATOM 876 OD2 ASP A 53 -21.247 6.671 2.407 1.00 1.00 O ATOM 0 H ASP A 53 -21.256 4.427 -0.695 1.00 1.00 H new ATOM 0 HA ASP A 53 -19.040 6.048 -1.408 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -19.824 7.480 0.428 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -21.220 6.827 -0.407 1.00 1.00 H new ATOM 881 N ASN A 54 -17.923 6.018 1.262 1.00 1.00 N ATOM 882 CA ASN A 54 -16.806 5.697 2.193 1.00 1.00 C ATOM 883 C ASN A 54 -17.221 4.562 3.129 1.00 1.00 C ATOM 884 O ASN A 54 -18.105 4.707 3.951 1.00 1.00 O ATOM 885 CB ASN A 54 -16.465 6.938 3.022 1.00 1.00 C ATOM 886 CG ASN A 54 -16.341 8.152 2.099 1.00 1.00 C ATOM 887 OD1 ASN A 54 -17.395 8.578 1.457 1.00 1.00 O flip ATOM 888 ND2 ASN A 54 -15.276 8.719 1.961 1.00 1.00 N flip ATOM 0 H ASN A 54 -18.317 6.953 1.367 1.00 1.00 H new ATOM 0 HA ASN A 54 -15.934 5.387 1.616 1.00 1.00 H new ATOM 0 HB2 ASN A 54 -17.240 7.113 3.769 1.00 1.00 H new ATOM 0 HB3 ASN A 54 -15.531 6.782 3.562 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -14.452 8.386 2.462 1.00 1.00 H new ATOM 0 HD22 ASN A 54 -15.205 9.528 1.344 1.00 1.00 H new ATOM 895 N THR A 55 -16.579 3.433 3.008 1.00 1.00 N ATOM 896 CA THR A 55 -16.915 2.276 3.885 1.00 1.00 C ATOM 897 C THR A 55 -15.680 1.385 4.025 1.00 1.00 C ATOM 898 O THR A 55 -14.736 1.495 3.269 1.00 1.00 O ATOM 899 CB THR A 55 -18.065 1.475 3.261 1.00 1.00 C ATOM 900 OG1 THR A 55 -18.892 2.349 2.505 1.00 1.00 O ATOM 901 CG2 THR A 55 -18.896 0.814 4.365 1.00 1.00 C ATOM 0 H THR A 55 -15.832 3.261 2.335 1.00 1.00 H new ATOM 0 HA THR A 55 -17.223 2.633 4.868 1.00 1.00 H new ATOM 0 HB THR A 55 -17.655 0.703 2.610 1.00 1.00 H new ATOM 0 HG1 THR A 55 -19.321 2.994 3.105 1.00 1.00 H new ATOM 0 HG21 THR A 55 -19.711 0.246 3.916 1.00 1.00 H new ATOM 0 HG22 THR A 55 -18.263 0.143 4.945 1.00 1.00 H new ATOM 0 HG23 THR A 55 -19.306 1.582 5.021 1.00 1.00 H new ATOM 909 N ASP A 56 -15.673 0.506 4.987 1.00 1.00 N ATOM 910 CA ASP A 56 -14.491 -0.384 5.175 1.00 1.00 C ATOM 911 C ASP A 56 -14.648 -1.643 4.320 1.00 1.00 C ATOM 912 O ASP A 56 -15.516 -2.460 4.554 1.00 1.00 O ATOM 913 CB ASP A 56 -14.380 -0.785 6.647 1.00 1.00 C ATOM 914 CG ASP A 56 -14.621 0.442 7.530 1.00 1.00 C ATOM 915 OD1 ASP A 56 -13.673 1.173 7.764 1.00 1.00 O ATOM 916 OD2 ASP A 56 -15.749 0.628 7.956 1.00 1.00 O ATOM 0 H ASP A 56 -16.434 0.364 5.652 1.00 1.00 H new ATOM 0 HA ASP A 56 -13.591 0.150 4.871 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -15.108 -1.562 6.879 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -13.393 -1.203 6.848 1.00 1.00 H new ATOM 921 N VAL A 57 -13.806 -1.809 3.335 1.00 1.00 N ATOM 922 CA VAL A 57 -13.894 -3.022 2.469 1.00 1.00 C ATOM 923 C VAL A 57 -12.836 -4.032 2.913 1.00 1.00 C ATOM 924 O VAL A 57 -11.934 -3.710 3.663 1.00 1.00 O ATOM 925 CB VAL A 57 -13.658 -2.630 1.008 1.00 1.00 C ATOM 926 CG1 VAL A 57 -14.482 -1.385 0.678 1.00 1.00 C ATOM 927 CG2 VAL A 57 -12.173 -2.332 0.785 1.00 1.00 C ATOM 0 H VAL A 57 -13.060 -1.157 3.092 1.00 1.00 H new ATOM 0 HA VAL A 57 -14.884 -3.468 2.561 1.00 1.00 H new ATOM 0 HB VAL A 57 -13.961 -3.453 0.360 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -14.316 -1.104 -0.362 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -15.540 -1.598 0.832 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -14.179 -0.565 1.329 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -12.010 -2.054 -0.256 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -11.865 -1.511 1.433 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -11.585 -3.219 1.020 1.00 1.00 H new ATOM 937 N LEU A 58 -12.945 -5.251 2.460 1.00 1.00 N ATOM 938 CA LEU A 58 -11.957 -6.301 2.856 1.00 1.00 C ATOM 939 C LEU A 58 -11.515 -7.070 1.607 1.00 1.00 C ATOM 940 O LEU A 58 -12.330 -7.482 0.805 1.00 1.00 O ATOM 941 CB LEU A 58 -12.640 -7.267 3.846 1.00 1.00 C ATOM 942 CG LEU A 58 -11.720 -7.587 5.034 1.00 1.00 C ATOM 943 CD1 LEU A 58 -10.482 -8.338 4.541 1.00 1.00 C ATOM 944 CD2 LEU A 58 -11.298 -6.290 5.740 1.00 1.00 C ATOM 0 H LEU A 58 -13.680 -5.569 1.828 1.00 1.00 H new ATOM 0 HA LEU A 58 -11.085 -5.845 3.325 1.00 1.00 H new ATOM 0 HB2 LEU A 58 -13.567 -6.824 4.210 1.00 1.00 H new ATOM 0 HB3 LEU A 58 -12.908 -8.190 3.331 1.00 1.00 H new ATOM 0 HG LEU A 58 -12.261 -8.213 5.743 1.00 1.00 H new ATOM 0 HD11 LEU A 58 -9.832 -8.563 5.387 1.00 1.00 H new ATOM 0 HD12 LEU A 58 -10.788 -9.268 4.061 1.00 1.00 H new ATOM 0 HD13 LEU A 58 -9.943 -7.719 3.824 1.00 1.00 H new ATOM 0 HD21 LEU A 58 -10.646 -6.529 6.580 1.00 1.00 H new ATOM 0 HD22 LEU A 58 -10.764 -5.650 5.037 1.00 1.00 H new ATOM 0 HD23 LEU A 58 -12.184 -5.769 6.104 1.00 1.00 H new ATOM 956 N SER A 59 -10.235 -7.274 1.428 1.00 1.00 N ATOM 957 CA SER A 59 -9.779 -8.021 0.224 1.00 1.00 C ATOM 958 C SER A 59 -10.500 -9.373 0.179 1.00 1.00 C ATOM 959 O SER A 59 -10.992 -9.857 1.179 1.00 1.00 O ATOM 960 CB SER A 59 -8.257 -8.210 0.274 1.00 1.00 C ATOM 961 OG SER A 59 -7.647 -7.295 -0.625 1.00 1.00 O ATOM 0 H SER A 59 -9.496 -6.959 2.056 1.00 1.00 H new ATOM 0 HA SER A 59 -10.018 -7.461 -0.680 1.00 1.00 H new ATOM 0 HB2 SER A 59 -7.890 -8.044 1.287 1.00 1.00 H new ATOM 0 HB3 SER A 59 -7.996 -9.233 0.004 1.00 1.00 H new ATOM 0 HG SER A 59 -7.291 -7.783 -1.397 1.00 1.00 H new ATOM 967 N ARG A 60 -10.594 -9.973 -0.975 1.00 1.00 N ATOM 968 CA ARG A 60 -11.311 -11.275 -1.082 1.00 1.00 C ATOM 969 C ARG A 60 -10.466 -12.390 -0.470 1.00 1.00 C ATOM 970 O ARG A 60 -10.905 -13.096 0.418 1.00 1.00 O ATOM 971 CB ARG A 60 -11.578 -11.589 -2.554 1.00 1.00 C ATOM 972 CG ARG A 60 -12.326 -10.420 -3.199 1.00 1.00 C ATOM 973 CD ARG A 60 -12.914 -10.864 -4.539 1.00 1.00 C ATOM 974 NE ARG A 60 -11.813 -11.299 -5.445 1.00 1.00 N ATOM 975 CZ ARG A 60 -11.105 -10.410 -6.087 1.00 1.00 C ATOM 976 NH1 ARG A 60 -11.360 -9.140 -5.933 1.00 1.00 N ATOM 977 NH2 ARG A 60 -10.142 -10.792 -6.880 1.00 1.00 N ATOM 0 H ARG A 60 -10.205 -9.618 -1.849 1.00 1.00 H new ATOM 0 HA ARG A 60 -12.256 -11.207 -0.543 1.00 1.00 H new ATOM 0 HB2 ARG A 60 -10.637 -11.764 -3.076 1.00 1.00 H new ATOM 0 HB3 ARG A 60 -12.166 -12.503 -2.641 1.00 1.00 H new ATOM 0 HG2 ARG A 60 -13.121 -10.075 -2.538 1.00 1.00 H new ATOM 0 HG3 ARG A 60 -11.648 -9.580 -3.348 1.00 1.00 H new ATOM 0 HD2 ARG A 60 -13.618 -11.682 -4.386 1.00 1.00 H new ATOM 0 HD3 ARG A 60 -13.471 -10.045 -4.993 1.00 1.00 H new ATOM 0 HE ARG A 60 -11.613 -12.292 -5.563 1.00 1.00 H new ATOM 0 HH11 ARG A 60 -12.112 -8.843 -5.311 1.00 1.00 H new ATOM 0 HH12 ARG A 60 -10.807 -8.444 -6.434 1.00 1.00 H new ATOM 0 HH21 ARG A 60 -9.942 -11.785 -6.998 1.00 1.00 H new ATOM 0 HH22 ARG A 60 -9.589 -10.097 -7.382 1.00 1.00 H new ATOM 991 N ASP A 61 -9.263 -12.562 -0.942 1.00 1.00 N ATOM 992 CA ASP A 61 -8.388 -13.643 -0.396 1.00 1.00 C ATOM 993 C ASP A 61 -7.137 -13.032 0.227 1.00 1.00 C ATOM 994 O ASP A 61 -7.000 -12.973 1.433 1.00 1.00 O ATOM 995 CB ASP A 61 -7.980 -14.587 -1.529 1.00 1.00 C ATOM 996 CG ASP A 61 -7.358 -15.854 -0.940 1.00 1.00 C ATOM 997 OD1 ASP A 61 -6.335 -15.740 -0.287 1.00 1.00 O ATOM 998 OD2 ASP A 61 -7.917 -16.918 -1.153 1.00 1.00 O ATOM 0 H ASP A 61 -8.845 -12.001 -1.684 1.00 1.00 H new ATOM 0 HA ASP A 61 -8.936 -14.197 0.366 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -8.850 -14.844 -2.134 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -7.267 -14.093 -2.189 1.00 1.00 H new ATOM 1003 N ALA A 62 -6.217 -12.583 -0.579 1.00 1.00 N ATOM 1004 CA ALA A 62 -4.978 -11.985 -0.017 1.00 1.00 C ATOM 1005 C ALA A 62 -4.360 -11.018 -1.025 1.00 1.00 C ATOM 1006 O ALA A 62 -4.800 -10.909 -2.152 1.00 1.00 O ATOM 1007 CB ALA A 62 -3.979 -13.100 0.303 1.00 1.00 C ATOM 0 H ALA A 62 -6.270 -12.604 -1.597 1.00 1.00 H new ATOM 0 HA ALA A 62 -5.223 -11.438 0.894 1.00 1.00 H new ATOM 0 HB1 ALA A 62 -3.069 -12.665 0.716 1.00 1.00 H new ATOM 0 HB2 ALA A 62 -4.417 -13.783 1.031 1.00 1.00 H new ATOM 0 HB3 ALA A 62 -3.739 -13.646 -0.609 1.00 1.00 H new ATOM 1013 N PHE A 63 -3.336 -10.316 -0.624 1.00 1.00 N ATOM 1014 CA PHE A 63 -2.676 -9.352 -1.548 1.00 1.00 C ATOM 1015 C PHE A 63 -1.200 -9.240 -1.168 1.00 1.00 C ATOM 1016 O PHE A 63 -0.857 -9.111 -0.008 1.00 1.00 O ATOM 1017 CB PHE A 63 -3.347 -7.979 -1.427 1.00 1.00 C ATOM 1018 CG PHE A 63 -4.522 -7.901 -2.375 1.00 1.00 C ATOM 1019 CD1 PHE A 63 -5.759 -8.441 -2.004 1.00 1.00 C ATOM 1020 CD2 PHE A 63 -4.372 -7.290 -3.625 1.00 1.00 C ATOM 1021 CE1 PHE A 63 -6.846 -8.369 -2.883 1.00 1.00 C ATOM 1022 CE2 PHE A 63 -5.459 -7.219 -4.505 1.00 1.00 C ATOM 1023 CZ PHE A 63 -6.696 -7.759 -4.134 1.00 1.00 C ATOM 0 H PHE A 63 -2.926 -10.369 0.309 1.00 1.00 H new ATOM 0 HA PHE A 63 -2.768 -9.701 -2.576 1.00 1.00 H new ATOM 0 HB2 PHE A 63 -3.682 -7.816 -0.403 1.00 1.00 H new ATOM 0 HB3 PHE A 63 -2.629 -7.191 -1.656 1.00 1.00 H new ATOM 0 HD1 PHE A 63 -5.875 -8.913 -1.040 1.00 1.00 H new ATOM 0 HD2 PHE A 63 -3.418 -6.873 -3.911 1.00 1.00 H new ATOM 0 HE1 PHE A 63 -7.801 -8.784 -2.596 1.00 1.00 H new ATOM 0 HE2 PHE A 63 -5.343 -6.748 -5.470 1.00 1.00 H new ATOM 0 HZ PHE A 63 -7.534 -7.705 -4.813 1.00 1.00 H new ATOM 1033 N LEU A 64 -0.326 -9.291 -2.136 1.00 1.00 N ATOM 1034 CA LEU A 64 1.131 -9.193 -1.839 1.00 1.00 C ATOM 1035 C LEU A 64 1.518 -7.725 -1.666 1.00 1.00 C ATOM 1036 O LEU A 64 1.452 -6.947 -2.596 1.00 1.00 O ATOM 1037 CB LEU A 64 1.923 -9.790 -3.010 1.00 1.00 C ATOM 1038 CG LEU A 64 3.360 -10.119 -2.570 1.00 1.00 C ATOM 1039 CD1 LEU A 64 3.930 -11.216 -3.471 1.00 1.00 C ATOM 1040 CD2 LEU A 64 4.243 -8.870 -2.681 1.00 1.00 C ATOM 0 H LEU A 64 -0.560 -9.397 -3.123 1.00 1.00 H new ATOM 0 HA LEU A 64 1.356 -9.739 -0.923 1.00 1.00 H new ATOM 0 HB2 LEU A 64 1.429 -10.693 -3.369 1.00 1.00 H new ATOM 0 HB3 LEU A 64 1.942 -9.086 -3.842 1.00 1.00 H new ATOM 0 HG LEU A 64 3.344 -10.459 -1.535 1.00 1.00 H new ATOM 0 HD11 LEU A 64 4.948 -11.450 -3.160 1.00 1.00 H new ATOM 0 HD12 LEU A 64 3.312 -12.110 -3.391 1.00 1.00 H new ATOM 0 HD13 LEU A 64 3.937 -10.871 -4.505 1.00 1.00 H new ATOM 0 HD21 LEU A 64 5.258 -9.113 -2.367 1.00 1.00 H new ATOM 0 HD22 LEU A 64 4.256 -8.524 -3.715 1.00 1.00 H new ATOM 0 HD23 LEU A 64 3.844 -8.084 -2.040 1.00 1.00 H new ATOM 1052 N LEU A 65 1.925 -7.334 -0.485 1.00 1.00 N ATOM 1053 CA LEU A 65 2.322 -5.911 -0.275 1.00 1.00 C ATOM 1054 C LEU A 65 3.777 -5.840 0.202 1.00 1.00 C ATOM 1055 O LEU A 65 4.138 -6.461 1.182 1.00 1.00 O ATOM 1056 CB LEU A 65 1.439 -5.240 0.792 1.00 1.00 C ATOM 1057 CG LEU A 65 0.434 -6.220 1.383 1.00 1.00 C ATOM 1058 CD1 LEU A 65 -0.022 -5.672 2.737 1.00 1.00 C ATOM 1059 CD2 LEU A 65 -0.769 -6.332 0.439 1.00 1.00 C ATOM 0 H LEU A 65 1.999 -7.934 0.336 1.00 1.00 H new ATOM 0 HA LEU A 65 2.202 -5.392 -1.226 1.00 1.00 H new ATOM 0 HB2 LEU A 65 2.068 -4.839 1.587 1.00 1.00 H new ATOM 0 HB3 LEU A 65 0.909 -4.397 0.349 1.00 1.00 H new ATOM 0 HG LEU A 65 0.883 -7.205 1.509 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -0.744 -6.357 3.182 1.00 1.00 H new ATOM 0 HD12 LEU A 65 0.839 -5.572 3.398 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -0.487 -4.696 2.597 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -1.494 -7.032 0.855 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -1.234 -5.353 0.325 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -0.435 -6.691 -0.535 1.00 1.00 H new ATOM 1071 N PRO A 66 4.598 -5.055 -0.449 1.00 1.00 N ATOM 1072 CA PRO A 66 6.012 -4.876 -0.033 1.00 1.00 C ATOM 1073 C PRO A 66 6.077 -3.987 1.210 1.00 1.00 C ATOM 1074 O PRO A 66 5.276 -3.087 1.368 1.00 1.00 O ATOM 1075 CB PRO A 66 6.674 -4.196 -1.233 1.00 1.00 C ATOM 1076 CG PRO A 66 5.568 -3.522 -1.980 1.00 1.00 C ATOM 1077 CD PRO A 66 4.273 -4.261 -1.646 1.00 1.00 C ATOM 0 HA PRO A 66 6.506 -5.812 0.228 1.00 1.00 H new ATOM 0 HB2 PRO A 66 7.424 -3.474 -0.909 1.00 1.00 H new ATOM 0 HB3 PRO A 66 7.184 -4.925 -1.863 1.00 1.00 H new ATOM 0 HG2 PRO A 66 5.496 -2.473 -1.694 1.00 1.00 H new ATOM 0 HG3 PRO A 66 5.758 -3.547 -3.053 1.00 1.00 H new ATOM 0 HD2 PRO A 66 3.458 -3.564 -1.451 1.00 1.00 H new ATOM 0 HD3 PRO A 66 3.956 -4.899 -2.471 1.00 1.00 H new ATOM 1085 N GLN A 67 6.991 -4.229 2.107 1.00 1.00 N ATOM 1086 CA GLN A 67 7.046 -3.379 3.331 1.00 1.00 C ATOM 1087 C GLN A 67 8.492 -3.201 3.792 1.00 1.00 C ATOM 1088 O GLN A 67 9.312 -4.090 3.665 1.00 1.00 O ATOM 1089 CB GLN A 67 6.234 -4.041 4.450 1.00 1.00 C ATOM 1090 CG GLN A 67 4.989 -4.709 3.862 1.00 1.00 C ATOM 1091 CD GLN A 67 4.141 -5.295 4.993 1.00 1.00 C ATOM 1092 OE1 GLN A 67 4.597 -5.267 6.215 1.00 1.00 O flip ATOM 1093 NE2 GLN A 67 3.053 -5.781 4.761 1.00 1.00 N flip ATOM 0 H GLN A 67 7.693 -4.967 2.049 1.00 1.00 H new ATOM 0 HA GLN A 67 6.626 -2.400 3.098 1.00 1.00 H new ATOM 0 HB2 GLN A 67 6.845 -4.781 4.966 1.00 1.00 H new ATOM 0 HB3 GLN A 67 5.943 -3.296 5.190 1.00 1.00 H new ATOM 0 HG2 GLN A 67 4.407 -3.982 3.296 1.00 1.00 H new ATOM 0 HG3 GLN A 67 5.280 -5.496 3.166 1.00 1.00 H new ATOM 0 HE21 GLN A 67 2.697 -5.802 3.805 1.00 1.00 H new ATOM 0 HE22 GLN A 67 2.495 -6.168 5.522 1.00 1.00 H new ATOM 1102 N CYS A 68 8.805 -2.054 4.334 1.00 1.00 N ATOM 1103 CA CYS A 68 10.196 -1.799 4.817 1.00 1.00 C ATOM 1104 C CYS A 68 10.221 -1.819 6.347 1.00 1.00 C ATOM 1105 O CYS A 68 9.263 -1.447 6.997 1.00 1.00 O ATOM 1106 CB CYS A 68 10.656 -0.427 4.331 1.00 1.00 C ATOM 1107 SG CYS A 68 10.206 -0.226 2.592 1.00 1.00 S ATOM 0 H CYS A 68 8.155 -1.279 4.464 1.00 1.00 H new ATOM 0 HA CYS A 68 10.859 -2.572 4.430 1.00 1.00 H new ATOM 0 HB2 CYS A 68 10.194 0.357 4.931 1.00 1.00 H new ATOM 0 HB3 CYS A 68 11.735 -0.328 4.453 1.00 1.00 H new ATOM 1112 N ASP A 69 11.312 -2.247 6.928 1.00 1.00 N ATOM 1113 CA ASP A 69 11.399 -2.287 8.419 1.00 1.00 C ATOM 1114 C ASP A 69 12.805 -1.873 8.869 1.00 1.00 C ATOM 1115 O ASP A 69 13.781 -2.532 8.571 1.00 1.00 O ATOM 1116 CB ASP A 69 11.108 -3.707 8.908 1.00 1.00 C ATOM 1117 CG ASP A 69 11.081 -3.727 10.437 1.00 1.00 C ATOM 1118 OD1 ASP A 69 12.118 -3.485 11.031 1.00 1.00 O ATOM 1119 OD2 ASP A 69 10.022 -3.981 10.987 1.00 1.00 O ATOM 0 H ASP A 69 12.145 -2.570 6.436 1.00 1.00 H new ATOM 0 HA ASP A 69 10.668 -1.597 8.840 1.00 1.00 H new ATOM 0 HB2 ASP A 69 10.152 -4.050 8.513 1.00 1.00 H new ATOM 0 HB3 ASP A 69 11.870 -4.393 8.539 1.00 1.00 H new ATOM 1124 N ARG A 70 12.914 -0.785 9.588 1.00 1.00 N ATOM 1125 CA ARG A 70 14.253 -0.331 10.061 1.00 1.00 C ATOM 1126 C ARG A 70 14.827 -1.361 11.035 1.00 1.00 C ATOM 1127 O ARG A 70 14.147 -1.831 11.926 1.00 1.00 O ATOM 1128 CB ARG A 70 14.112 1.015 10.775 1.00 1.00 C ATOM 1129 CG ARG A 70 15.494 1.641 10.971 1.00 1.00 C ATOM 1130 CD ARG A 70 15.394 2.802 11.962 1.00 1.00 C ATOM 1131 NE ARG A 70 16.762 3.290 12.297 1.00 1.00 N ATOM 1132 CZ ARG A 70 17.482 2.657 13.183 1.00 1.00 C ATOM 1133 NH1 ARG A 70 17.005 1.596 13.775 1.00 1.00 N ATOM 1134 NH2 ARG A 70 18.679 3.085 13.477 1.00 1.00 N ATOM 0 H ARG A 70 12.132 -0.192 9.867 1.00 1.00 H new ATOM 0 HA ARG A 70 14.921 -0.224 9.207 1.00 1.00 H new ATOM 0 HB2 ARG A 70 13.479 1.683 10.191 1.00 1.00 H new ATOM 0 HB3 ARG A 70 13.624 0.877 11.740 1.00 1.00 H new ATOM 0 HG2 ARG A 70 16.194 0.892 11.341 1.00 1.00 H new ATOM 0 HG3 ARG A 70 15.882 1.996 10.017 1.00 1.00 H new ATOM 0 HD2 ARG A 70 14.803 3.611 11.532 1.00 1.00 H new ATOM 0 HD3 ARG A 70 14.880 2.478 12.867 1.00 1.00 H new ATOM 0 HE ARG A 70 17.136 4.119 11.834 1.00 1.00 H new ATOM 0 HH11 ARG A 70 16.069 1.261 13.545 1.00 1.00 H new ATOM 0 HH12 ARG A 70 17.568 1.102 14.467 1.00 1.00 H new ATOM 0 HH21 ARG A 70 19.052 3.914 13.015 1.00 1.00 H new ATOM 0 HH22 ARG A 70 19.242 2.591 14.169 1.00 1.00 H new ATOM 1148 N ILE A 71 16.075 -1.717 10.875 1.00 1.00 N ATOM 1149 CA ILE A 71 16.696 -2.719 11.792 1.00 1.00 C ATOM 1150 C ILE A 71 18.118 -2.272 12.145 1.00 1.00 C ATOM 1151 O ILE A 71 18.582 -2.472 13.250 1.00 1.00 O ATOM 1152 CB ILE A 71 16.743 -4.088 11.099 1.00 1.00 C ATOM 1153 CG1 ILE A 71 15.330 -4.699 11.054 1.00 1.00 C ATOM 1154 CG2 ILE A 71 17.690 -5.025 11.858 1.00 1.00 C ATOM 1155 CD1 ILE A 71 15.024 -5.433 12.366 1.00 1.00 C ATOM 0 H ILE A 71 16.692 -1.356 10.147 1.00 1.00 H new ATOM 0 HA ILE A 71 16.103 -2.796 12.703 1.00 1.00 H new ATOM 0 HB ILE A 71 17.110 -3.959 10.081 1.00 1.00 H new ATOM 0 HG12 ILE A 71 14.592 -3.914 10.888 1.00 1.00 H new ATOM 0 HG13 ILE A 71 15.253 -5.391 10.216 1.00 1.00 H new ATOM 0 HG21 ILE A 71 17.718 -5.995 11.361 1.00 1.00 H new ATOM 0 HG22 ILE A 71 18.692 -4.596 11.873 1.00 1.00 H new ATOM 0 HG23 ILE A 71 17.334 -5.152 12.880 1.00 1.00 H new ATOM 0 HD11 ILE A 71 14.022 -5.859 12.319 1.00 1.00 H new ATOM 0 HD12 ILE A 71 15.751 -6.231 12.515 1.00 1.00 H new ATOM 0 HD13 ILE A 71 15.081 -4.731 13.198 1.00 1.00 H new ATOM 1167 N LYS A 72 18.815 -1.673 11.216 1.00 1.00 N ATOM 1168 CA LYS A 72 20.210 -1.221 11.499 1.00 1.00 C ATOM 1169 C LYS A 72 20.454 0.141 10.842 1.00 1.00 C ATOM 1170 O LYS A 72 19.632 0.639 10.098 1.00 1.00 O ATOM 1171 CB LYS A 72 21.198 -2.247 10.934 1.00 1.00 C ATOM 1172 CG LYS A 72 22.615 -1.931 11.424 1.00 1.00 C ATOM 1173 CD LYS A 72 23.499 -3.170 11.262 1.00 1.00 C ATOM 1174 CE LYS A 72 24.962 -2.789 11.496 1.00 1.00 C ATOM 1175 NZ LYS A 72 25.837 -3.946 11.150 1.00 1.00 N ATOM 0 H LYS A 72 18.479 -1.477 10.273 1.00 1.00 H new ATOM 0 HA LYS A 72 20.352 -1.130 12.576 1.00 1.00 H new ATOM 0 HB2 LYS A 72 20.911 -3.251 11.246 1.00 1.00 H new ATOM 0 HB3 LYS A 72 21.169 -2.231 9.845 1.00 1.00 H new ATOM 0 HG2 LYS A 72 23.030 -1.098 10.857 1.00 1.00 H new ATOM 0 HG3 LYS A 72 22.590 -1.623 12.469 1.00 1.00 H new ATOM 0 HD2 LYS A 72 23.196 -3.941 11.970 1.00 1.00 H new ATOM 0 HD3 LYS A 72 23.377 -3.589 10.263 1.00 1.00 H new ATOM 0 HE2 LYS A 72 25.226 -1.924 10.887 1.00 1.00 H new ATOM 0 HE3 LYS A 72 25.113 -2.503 12.537 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 26.832 -3.688 11.309 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 25.590 -4.759 11.749 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 25.700 -4.198 10.150 1.00 1.00 H new ATOM 1189 N LEU A 73 21.579 0.743 11.113 1.00 1.00 N ATOM 1190 CA LEU A 73 21.890 2.070 10.512 1.00 1.00 C ATOM 1191 C LEU A 73 20.731 3.040 10.797 1.00 1.00 C ATOM 1192 O LEU A 73 19.712 2.651 11.330 1.00 1.00 O ATOM 1193 CB LEU A 73 22.071 1.882 8.995 1.00 1.00 C ATOM 1194 CG LEU A 73 23.543 2.077 8.611 1.00 1.00 C ATOM 1195 CD1 LEU A 73 24.346 0.839 9.016 1.00 1.00 C ATOM 1196 CD2 LEU A 73 23.652 2.278 7.098 1.00 1.00 C ATOM 0 H LEU A 73 22.301 0.370 11.729 1.00 1.00 H new ATOM 0 HA LEU A 73 22.803 2.483 10.941 1.00 1.00 H new ATOM 0 HB2 LEU A 73 21.740 0.886 8.702 1.00 1.00 H new ATOM 0 HB3 LEU A 73 21.449 2.596 8.456 1.00 1.00 H new ATOM 0 HG LEU A 73 23.939 2.952 9.126 1.00 1.00 H new ATOM 0 HD11 LEU A 73 25.392 0.978 8.743 1.00 1.00 H new ATOM 0 HD12 LEU A 73 24.269 0.692 10.093 1.00 1.00 H new ATOM 0 HD13 LEU A 73 23.950 -0.036 8.501 1.00 1.00 H new ATOM 0 HD21 LEU A 73 24.698 2.417 6.824 1.00 1.00 H new ATOM 0 HD22 LEU A 73 23.256 1.402 6.585 1.00 1.00 H new ATOM 0 HD23 LEU A 73 23.080 3.159 6.806 1.00 1.00 H new ATOM 1208 N PRO A 74 20.882 4.294 10.440 1.00 1.00 N ATOM 1209 CA PRO A 74 19.833 5.325 10.659 1.00 1.00 C ATOM 1210 C PRO A 74 18.845 5.434 9.491 1.00 1.00 C ATOM 1211 O PRO A 74 17.744 5.921 9.648 1.00 1.00 O ATOM 1212 CB PRO A 74 20.651 6.608 10.788 1.00 1.00 C ATOM 1213 CG PRO A 74 21.832 6.403 9.890 1.00 1.00 C ATOM 1214 CD PRO A 74 22.077 4.885 9.806 1.00 1.00 C ATOM 0 HA PRO A 74 19.208 5.097 11.522 1.00 1.00 H new ATOM 0 HB2 PRO A 74 20.070 7.479 10.485 1.00 1.00 H new ATOM 0 HB3 PRO A 74 20.963 6.776 11.819 1.00 1.00 H new ATOM 0 HG2 PRO A 74 21.640 6.818 8.900 1.00 1.00 H new ATOM 0 HG3 PRO A 74 22.710 6.914 10.285 1.00 1.00 H new ATOM 0 HD2 PRO A 74 22.185 4.555 8.773 1.00 1.00 H new ATOM 0 HD3 PRO A 74 22.989 4.598 10.329 1.00 1.00 H new ATOM 1222 N CYS A 75 19.233 5.001 8.320 1.00 1.00 N ATOM 1223 CA CYS A 75 18.315 5.099 7.146 1.00 1.00 C ATOM 1224 C CYS A 75 18.320 3.784 6.362 1.00 1.00 C ATOM 1225 O CYS A 75 18.029 3.754 5.182 1.00 1.00 O ATOM 1226 CB CYS A 75 18.780 6.241 6.241 1.00 1.00 C ATOM 1227 SG CYS A 75 17.381 6.847 5.265 1.00 1.00 S ATOM 0 H CYS A 75 20.144 4.585 8.126 1.00 1.00 H new ATOM 0 HA CYS A 75 17.301 5.295 7.495 1.00 1.00 H new ATOM 0 HB2 CYS A 75 19.195 7.050 6.843 1.00 1.00 H new ATOM 0 HB3 CYS A 75 19.575 5.895 5.580 1.00 1.00 H new ATOM 1232 N HIS A 76 18.639 2.694 7.008 1.00 1.00 N ATOM 1233 CA HIS A 76 18.650 1.378 6.303 1.00 1.00 C ATOM 1234 C HIS A 76 17.384 0.606 6.674 1.00 1.00 C ATOM 1235 O HIS A 76 16.912 0.680 7.792 1.00 1.00 O ATOM 1236 CB HIS A 76 19.880 0.578 6.734 1.00 1.00 C ATOM 1237 CG HIS A 76 20.046 -0.613 5.832 1.00 1.00 C ATOM 1238 ND1 HIS A 76 19.819 -0.544 4.465 1.00 1.00 N ATOM 1239 CD2 HIS A 76 20.415 -1.912 6.086 1.00 1.00 C ATOM 1240 CE1 HIS A 76 20.052 -1.767 3.952 1.00 1.00 C ATOM 1241 NE2 HIS A 76 20.417 -2.633 4.898 1.00 1.00 N ATOM 0 H HIS A 76 18.893 2.658 7.995 1.00 1.00 H new ATOM 0 HA HIS A 76 18.684 1.537 5.225 1.00 1.00 H new ATOM 0 HB2 HIS A 76 20.769 1.207 6.691 1.00 1.00 H new ATOM 0 HB3 HIS A 76 19.770 0.252 7.768 1.00 1.00 H new ATOM 0 HD2 HIS A 76 20.665 -2.311 7.058 1.00 1.00 H new ATOM 0 HE1 HIS A 76 19.955 -2.015 2.905 1.00 1.00 H new ATOM 0 HE2 HIS A 76 20.649 -3.619 4.775 1.00 1.00 H new ATOM 1250 N TYR A 77 16.823 -0.131 5.750 1.00 1.00 N ATOM 1251 CA TYR A 77 15.581 -0.899 6.063 1.00 1.00 C ATOM 1252 C TYR A 77 15.680 -2.314 5.490 1.00 1.00 C ATOM 1253 O TYR A 77 16.487 -2.593 4.625 1.00 1.00 O ATOM 1254 CB TYR A 77 14.372 -0.195 5.441 1.00 1.00 C ATOM 1255 CG TYR A 77 14.573 1.299 5.473 1.00 1.00 C ATOM 1256 CD1 TYR A 77 14.252 2.024 6.627 1.00 1.00 C ATOM 1257 CD2 TYR A 77 15.072 1.963 4.346 1.00 1.00 C ATOM 1258 CE1 TYR A 77 14.428 3.411 6.653 1.00 1.00 C ATOM 1259 CE2 TYR A 77 15.250 3.352 4.372 1.00 1.00 C ATOM 1260 CZ TYR A 77 14.927 4.075 5.526 1.00 1.00 C ATOM 1261 OH TYR A 77 15.099 5.443 5.551 1.00 1.00 O ATOM 0 H TYR A 77 17.170 -0.234 4.796 1.00 1.00 H new ATOM 0 HA TYR A 77 15.464 -0.953 7.145 1.00 1.00 H new ATOM 0 HB2 TYR A 77 14.235 -0.530 4.413 1.00 1.00 H new ATOM 0 HB3 TYR A 77 13.466 -0.460 5.986 1.00 1.00 H new ATOM 0 HD1 TYR A 77 13.868 1.512 7.497 1.00 1.00 H new ATOM 0 HD2 TYR A 77 15.320 1.404 3.456 1.00 1.00 H new ATOM 0 HE1 TYR A 77 14.179 3.970 7.543 1.00 1.00 H new ATOM 0 HE2 TYR A 77 15.636 3.864 3.503 1.00 1.00 H new ATOM 0 HH TYR A 77 15.919 5.661 6.041 1.00 1.00 H new ATOM 1271 N LYS A 78 14.845 -3.202 5.960 1.00 1.00 N ATOM 1272 CA LYS A 78 14.856 -4.601 5.447 1.00 1.00 C ATOM 1273 C LYS A 78 13.621 -4.805 4.568 1.00 1.00 C ATOM 1274 O LYS A 78 12.600 -4.172 4.762 1.00 1.00 O ATOM 1275 CB LYS A 78 14.817 -5.580 6.628 1.00 1.00 C ATOM 1276 CG LYS A 78 16.239 -5.811 7.160 1.00 1.00 C ATOM 1277 CD LYS A 78 16.907 -6.947 6.379 1.00 1.00 C ATOM 1278 CE LYS A 78 18.322 -7.174 6.916 1.00 1.00 C ATOM 1279 NZ LYS A 78 18.842 -8.474 6.409 1.00 1.00 N ATOM 0 H LYS A 78 14.150 -3.015 6.683 1.00 1.00 H new ATOM 0 HA LYS A 78 15.761 -4.781 4.866 1.00 1.00 H new ATOM 0 HB2 LYS A 78 14.183 -5.183 7.420 1.00 1.00 H new ATOM 0 HB3 LYS A 78 14.379 -6.527 6.313 1.00 1.00 H new ATOM 0 HG2 LYS A 78 16.826 -4.897 7.064 1.00 1.00 H new ATOM 0 HG3 LYS A 78 16.205 -6.058 8.221 1.00 1.00 H new ATOM 0 HD2 LYS A 78 16.320 -7.861 6.473 1.00 1.00 H new ATOM 0 HD3 LYS A 78 16.945 -6.700 5.318 1.00 1.00 H new ATOM 0 HE2 LYS A 78 18.977 -6.361 6.602 1.00 1.00 H new ATOM 0 HE3 LYS A 78 18.313 -7.174 8.006 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 19.804 -8.629 6.773 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 18.222 -9.245 6.730 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 18.864 -8.457 5.369 1.00 1.00 H new ATOM 1293 N LEU A 79 13.706 -5.676 3.598 1.00 1.00 N ATOM 1294 CA LEU A 79 12.540 -5.912 2.700 1.00 1.00 C ATOM 1295 C LEU A 79 11.673 -7.041 3.266 1.00 1.00 C ATOM 1296 O LEU A 79 12.136 -8.142 3.484 1.00 1.00 O ATOM 1297 CB LEU A 79 13.048 -6.300 1.303 1.00 1.00 C ATOM 1298 CG LEU A 79 12.036 -5.865 0.237 1.00 1.00 C ATOM 1299 CD1 LEU A 79 12.603 -6.158 -1.153 1.00 1.00 C ATOM 1300 CD2 LEU A 79 10.724 -6.636 0.425 1.00 1.00 C ATOM 0 H LEU A 79 14.534 -6.234 3.389 1.00 1.00 H new ATOM 0 HA LEU A 79 11.942 -5.003 2.632 1.00 1.00 H new ATOM 0 HB2 LEU A 79 14.013 -5.829 1.114 1.00 1.00 H new ATOM 0 HB3 LEU A 79 13.204 -7.378 1.250 1.00 1.00 H new ATOM 0 HG LEU A 79 11.845 -4.797 0.336 1.00 1.00 H new ATOM 0 HD11 LEU A 79 11.884 -5.849 -1.912 1.00 1.00 H new ATOM 0 HD12 LEU A 79 13.534 -5.608 -1.290 1.00 1.00 H new ATOM 0 HD13 LEU A 79 12.796 -7.226 -1.250 1.00 1.00 H new ATOM 0 HD21 LEU A 79 10.007 -6.324 -0.334 1.00 1.00 H new ATOM 0 HD22 LEU A 79 10.913 -7.705 0.328 1.00 1.00 H new ATOM 0 HD23 LEU A 79 10.318 -6.427 1.415 1.00 1.00 H new ATOM 1312 N SER A 80 10.418 -6.770 3.502 1.00 1.00 N ATOM 1313 CA SER A 80 9.509 -7.818 4.050 1.00 1.00 C ATOM 1314 C SER A 80 8.150 -7.711 3.356 1.00 1.00 C ATOM 1315 O SER A 80 7.516 -6.674 3.373 1.00 1.00 O ATOM 1316 CB SER A 80 9.335 -7.605 5.554 1.00 1.00 C ATOM 1317 OG SER A 80 8.085 -8.144 5.964 1.00 1.00 O ATOM 0 H SER A 80 9.981 -5.863 3.338 1.00 1.00 H new ATOM 0 HA SER A 80 9.935 -8.806 3.874 1.00 1.00 H new ATOM 0 HB2 SER A 80 10.148 -8.087 6.097 1.00 1.00 H new ATOM 0 HB3 SER A 80 9.380 -6.542 5.790 1.00 1.00 H new ATOM 0 HG SER A 80 7.971 -8.010 6.928 1.00 1.00 H new ATOM 1323 N SER A 81 7.701 -8.771 2.738 1.00 1.00 N ATOM 1324 CA SER A 81 6.386 -8.728 2.034 1.00 1.00 C ATOM 1325 C SER A 81 5.624 -10.032 2.283 1.00 1.00 C ATOM 1326 O SER A 81 6.205 -11.050 2.604 1.00 1.00 O ATOM 1327 CB SER A 81 6.623 -8.554 0.532 1.00 1.00 C ATOM 1328 OG SER A 81 5.475 -7.961 -0.059 1.00 1.00 O ATOM 0 H SER A 81 8.189 -9.666 2.690 1.00 1.00 H new ATOM 0 HA SER A 81 5.799 -7.891 2.412 1.00 1.00 H new ATOM 0 HB2 SER A 81 7.499 -7.928 0.360 1.00 1.00 H new ATOM 0 HB3 SER A 81 6.826 -9.520 0.070 1.00 1.00 H new ATOM 0 HG SER A 81 4.811 -7.771 0.636 1.00 1.00 H new ATOM 1334 N SER A 82 4.328 -10.010 2.131 1.00 1.00 N ATOM 1335 CA SER A 82 3.530 -11.248 2.355 1.00 1.00 C ATOM 1336 C SER A 82 2.153 -11.083 1.721 1.00 1.00 C ATOM 1337 O SER A 82 1.742 -9.992 1.377 1.00 1.00 O ATOM 1338 CB SER A 82 3.378 -11.499 3.855 1.00 1.00 C ATOM 1339 OG SER A 82 2.568 -10.480 4.424 1.00 1.00 O ATOM 0 H SER A 82 3.788 -9.188 1.861 1.00 1.00 H new ATOM 0 HA SER A 82 4.041 -12.097 1.900 1.00 1.00 H new ATOM 0 HB2 SER A 82 2.927 -12.476 4.028 1.00 1.00 H new ATOM 0 HB3 SER A 82 4.357 -11.511 4.334 1.00 1.00 H new ATOM 0 HG SER A 82 2.468 -10.640 5.386 1.00 1.00 H new ATOM 1345 N THR A 83 1.446 -12.167 1.546 1.00 1.00 N ATOM 1346 CA THR A 83 0.110 -12.098 0.917 1.00 1.00 C ATOM 1347 C THR A 83 -0.974 -12.337 1.971 1.00 1.00 C ATOM 1348 O THR A 83 -1.036 -13.381 2.588 1.00 1.00 O ATOM 1349 CB THR A 83 0.048 -13.184 -0.153 1.00 1.00 C ATOM 1350 OG1 THR A 83 1.044 -14.161 0.115 1.00 1.00 O ATOM 1351 CG2 THR A 83 0.303 -12.561 -1.523 1.00 1.00 C ATOM 0 H THR A 83 1.746 -13.103 1.817 1.00 1.00 H new ATOM 0 HA THR A 83 -0.056 -11.116 0.474 1.00 1.00 H new ATOM 0 HB THR A 83 -0.936 -13.652 -0.145 1.00 1.00 H new ATOM 0 HG1 THR A 83 1.007 -14.862 -0.569 1.00 1.00 H new ATOM 0 HG21 THR A 83 0.259 -13.335 -2.289 1.00 1.00 H new ATOM 0 HG22 THR A 83 -0.456 -11.806 -1.726 1.00 1.00 H new ATOM 0 HG23 THR A 83 1.289 -12.096 -1.533 1.00 1.00 H new ATOM 1359 N ASN A 84 -1.833 -11.378 2.175 1.00 1.00 N ATOM 1360 CA ASN A 84 -2.918 -11.553 3.184 1.00 1.00 C ATOM 1361 C ASN A 84 -4.043 -10.555 2.901 1.00 1.00 C ATOM 1362 O ASN A 84 -3.828 -9.526 2.292 1.00 1.00 O ATOM 1363 CB ASN A 84 -2.355 -11.303 4.585 1.00 1.00 C ATOM 1364 CG ASN A 84 -3.492 -11.338 5.608 1.00 1.00 C ATOM 1365 OD1 ASN A 84 -4.519 -11.942 5.371 1.00 1.00 O ATOM 1366 ND2 ASN A 84 -3.351 -10.710 6.743 1.00 1.00 N ATOM 0 H ASN A 84 -1.832 -10.482 1.688 1.00 1.00 H new ATOM 0 HA ASN A 84 -3.310 -12.568 3.125 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -1.609 -12.060 4.829 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -1.851 -10.337 4.619 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -4.103 -10.726 7.432 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -2.489 -10.203 6.942 1.00 1.00 H new ATOM 1373 N THR A 85 -5.241 -10.848 3.338 1.00 1.00 N ATOM 1374 CA THR A 85 -6.367 -9.909 3.096 1.00 1.00 C ATOM 1375 C THR A 85 -6.084 -8.611 3.853 1.00 1.00 C ATOM 1376 O THR A 85 -5.242 -8.567 4.727 1.00 1.00 O ATOM 1377 CB THR A 85 -7.673 -10.545 3.602 1.00 1.00 C ATOM 1378 OG1 THR A 85 -7.425 -11.898 3.958 1.00 1.00 O ATOM 1379 CG2 THR A 85 -8.741 -10.495 2.508 1.00 1.00 C ATOM 0 H THR A 85 -5.484 -11.696 3.850 1.00 1.00 H new ATOM 0 HA THR A 85 -6.468 -9.697 2.032 1.00 1.00 H new ATOM 0 HB THR A 85 -8.029 -9.991 4.471 1.00 1.00 H new ATOM 0 HG1 THR A 85 -7.253 -12.423 3.149 1.00 1.00 H new ATOM 0 HG21 THR A 85 -9.661 -10.948 2.877 1.00 1.00 H new ATOM 0 HG22 THR A 85 -8.932 -9.458 2.233 1.00 1.00 H new ATOM 0 HG23 THR A 85 -8.392 -11.044 1.633 1.00 1.00 H new ATOM 1387 N ILE A 86 -6.763 -7.548 3.520 1.00 1.00 N ATOM 1388 CA ILE A 86 -6.508 -6.258 4.217 1.00 1.00 C ATOM 1389 C ILE A 86 -7.799 -5.435 4.251 1.00 1.00 C ATOM 1390 O ILE A 86 -8.730 -5.696 3.518 1.00 1.00 O ATOM 1391 CB ILE A 86 -5.390 -5.488 3.475 1.00 1.00 C ATOM 1392 CG1 ILE A 86 -5.977 -4.404 2.557 1.00 1.00 C ATOM 1393 CG2 ILE A 86 -4.571 -6.457 2.618 1.00 1.00 C ATOM 1394 CD1 ILE A 86 -6.937 -5.024 1.535 1.00 1.00 C ATOM 0 H ILE A 86 -7.482 -7.518 2.797 1.00 1.00 H new ATOM 0 HA ILE A 86 -6.185 -6.444 5.241 1.00 1.00 H new ATOM 0 HB ILE A 86 -4.758 -5.016 4.227 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -6.504 -3.660 3.155 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -5.172 -3.884 2.038 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -3.786 -5.908 2.098 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -4.121 -7.217 3.257 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -5.223 -6.937 1.888 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -7.342 -4.241 0.894 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -6.400 -5.750 0.925 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -7.753 -5.523 2.058 1.00 1.00 H new ATOM 1406 N CYS A 87 -7.855 -4.435 5.093 1.00 1.00 N ATOM 1407 CA CYS A 87 -9.075 -3.584 5.173 1.00 1.00 C ATOM 1408 C CYS A 87 -8.706 -2.161 4.757 1.00 1.00 C ATOM 1409 O CYS A 87 -7.687 -1.635 5.155 1.00 1.00 O ATOM 1410 CB CYS A 87 -9.606 -3.589 6.611 1.00 1.00 C ATOM 1411 SG CYS A 87 -11.365 -3.167 6.608 1.00 1.00 S ATOM 0 H CYS A 87 -7.103 -4.172 5.730 1.00 1.00 H new ATOM 0 HA CYS A 87 -9.849 -3.971 4.510 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -9.458 -4.571 7.061 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -9.051 -2.873 7.217 1.00 1.00 H new ATOM 0 HG CYS A 87 -11.847 -3.325 5.411 1.00 1.00 H new ATOM 1416 N ILE A 88 -9.513 -1.535 3.944 1.00 1.00 N ATOM 1417 CA ILE A 88 -9.182 -0.148 3.498 1.00 1.00 C ATOM 1418 C ILE A 88 -10.478 0.639 3.278 1.00 1.00 C ATOM 1419 O ILE A 88 -11.515 0.078 2.987 1.00 1.00 O ATOM 1420 CB ILE A 88 -8.352 -0.222 2.197 1.00 1.00 C ATOM 1421 CG1 ILE A 88 -8.840 0.809 1.171 1.00 1.00 C ATOM 1422 CG2 ILE A 88 -8.475 -1.617 1.581 1.00 1.00 C ATOM 1423 CD1 ILE A 88 -7.846 0.894 0.006 1.00 1.00 C ATOM 0 H ILE A 88 -10.381 -1.919 3.571 1.00 1.00 H new ATOM 0 HA ILE A 88 -8.594 0.365 4.260 1.00 1.00 H new ATOM 0 HB ILE A 88 -7.314 -0.009 2.451 1.00 1.00 H new ATOM 0 HG12 ILE A 88 -9.826 0.528 0.800 1.00 1.00 H new ATOM 0 HG13 ILE A 88 -8.944 1.785 1.644 1.00 1.00 H new ATOM 0 HG21 ILE A 88 -7.888 -1.663 0.664 1.00 1.00 H new ATOM 0 HG22 ILE A 88 -8.104 -2.360 2.287 1.00 1.00 H new ATOM 0 HG23 ILE A 88 -9.521 -1.823 1.353 1.00 1.00 H new ATOM 0 HD11 ILE A 88 -8.198 1.628 -0.719 1.00 1.00 H new ATOM 0 HD12 ILE A 88 -6.869 1.196 0.383 1.00 1.00 H new ATOM 0 HD13 ILE A 88 -7.764 -0.081 -0.474 1.00 1.00 H new ATOM 1435 N THR A 89 -10.427 1.940 3.415 1.00 1.00 N ATOM 1436 CA THR A 89 -11.655 2.755 3.209 1.00 1.00 C ATOM 1437 C THR A 89 -11.717 3.210 1.751 1.00 1.00 C ATOM 1438 O THR A 89 -10.769 3.773 1.223 1.00 1.00 O ATOM 1439 CB THR A 89 -11.626 3.976 4.132 1.00 1.00 C ATOM 1440 OG1 THR A 89 -11.882 3.564 5.468 1.00 1.00 O ATOM 1441 CG2 THR A 89 -12.689 4.982 3.694 1.00 1.00 C ATOM 0 H THR A 89 -9.590 2.468 3.660 1.00 1.00 H new ATOM 0 HA THR A 89 -12.535 2.155 3.442 1.00 1.00 H new ATOM 0 HB THR A 89 -10.644 4.447 4.077 1.00 1.00 H new ATOM 0 HG1 THR A 89 -11.862 4.344 6.060 1.00 1.00 H new ATOM 0 HG21 THR A 89 -12.664 5.849 4.354 1.00 1.00 H new ATOM 0 HG22 THR A 89 -12.490 5.300 2.671 1.00 1.00 H new ATOM 0 HG23 THR A 89 -13.673 4.516 3.744 1.00 1.00 H new ATOM 1449 N CYS A 90 -12.826 2.959 1.104 1.00 1.00 N ATOM 1450 CA CYS A 90 -12.986 3.353 -0.325 1.00 1.00 C ATOM 1451 C CYS A 90 -14.315 4.092 -0.502 1.00 1.00 C ATOM 1452 O CYS A 90 -15.304 3.767 0.127 1.00 1.00 O ATOM 1453 CB CYS A 90 -12.982 2.089 -1.189 1.00 1.00 C ATOM 1454 SG CYS A 90 -12.921 2.541 -2.937 1.00 1.00 S ATOM 0 H CYS A 90 -13.636 2.492 1.511 1.00 1.00 H new ATOM 0 HA CYS A 90 -12.168 4.008 -0.625 1.00 1.00 H new ATOM 0 HB2 CYS A 90 -12.124 1.467 -0.935 1.00 1.00 H new ATOM 0 HB3 CYS A 90 -13.875 1.498 -0.988 1.00 1.00 H new ATOM 1459 N VAL A 91 -14.348 5.084 -1.352 1.00 1.00 N ATOM 1460 CA VAL A 91 -15.609 5.847 -1.566 1.00 1.00 C ATOM 1461 C VAL A 91 -16.499 5.106 -2.565 1.00 1.00 C ATOM 1462 O VAL A 91 -16.437 3.900 -2.692 1.00 1.00 O ATOM 1463 CB VAL A 91 -15.278 7.237 -2.112 1.00 1.00 C ATOM 1464 CG1 VAL A 91 -14.331 7.953 -1.147 1.00 1.00 C ATOM 1465 CG2 VAL A 91 -14.605 7.100 -3.479 1.00 1.00 C ATOM 0 H VAL A 91 -13.553 5.398 -1.908 1.00 1.00 H new ATOM 0 HA VAL A 91 -16.136 5.944 -0.617 1.00 1.00 H new ATOM 0 HB VAL A 91 -16.196 7.815 -2.215 1.00 1.00 H new ATOM 0 HG11 VAL A 91 -14.095 8.943 -1.536 1.00 1.00 H new ATOM 0 HG12 VAL A 91 -14.810 8.051 -0.173 1.00 1.00 H new ATOM 0 HG13 VAL A 91 -13.412 7.376 -1.044 1.00 1.00 H new ATOM 0 HG21 VAL A 91 -14.369 8.090 -3.869 1.00 1.00 H new ATOM 0 HG22 VAL A 91 -13.687 6.522 -3.376 1.00 1.00 H new ATOM 0 HG23 VAL A 91 -15.279 6.590 -4.167 1.00 1.00 H new ATOM 1475 N ASN A 92 -17.325 5.824 -3.277 1.00 1.00 N ATOM 1476 CA ASN A 92 -18.227 5.173 -4.270 1.00 1.00 C ATOM 1477 C ASN A 92 -17.449 4.157 -5.093 1.00 1.00 C ATOM 1478 O ASN A 92 -17.958 3.124 -5.480 1.00 1.00 O ATOM 1479 CB ASN A 92 -18.806 6.241 -5.199 1.00 1.00 C ATOM 1480 CG ASN A 92 -19.967 6.956 -4.506 1.00 1.00 C ATOM 1481 OD1 ASN A 92 -19.926 7.190 -3.314 1.00 1.00 O ATOM 1482 ND2 ASN A 92 -21.008 7.314 -5.205 1.00 1.00 N ATOM 0 H ASN A 92 -17.414 6.838 -3.213 1.00 1.00 H new ATOM 0 HA ASN A 92 -19.033 4.663 -3.743 1.00 1.00 H new ATOM 0 HB2 ASN A 92 -18.032 6.960 -5.468 1.00 1.00 H new ATOM 0 HB3 ASN A 92 -19.151 5.782 -6.126 1.00 1.00 H new ATOM 0 HD21 ASN A 92 -21.788 7.790 -4.751 1.00 1.00 H new ATOM 0 HD22 ASN A 92 -21.043 7.118 -6.205 1.00 1.00 H new ATOM 1489 N GLN A 93 -16.222 4.451 -5.358 1.00 1.00 N ATOM 1490 CA GLN A 93 -15.381 3.522 -6.160 1.00 1.00 C ATOM 1491 C GLN A 93 -13.965 4.087 -6.267 1.00 1.00 C ATOM 1492 O GLN A 93 -13.384 4.141 -7.332 1.00 1.00 O ATOM 1493 CB GLN A 93 -15.978 3.367 -7.560 1.00 1.00 C ATOM 1494 CG GLN A 93 -16.341 4.744 -8.117 1.00 1.00 C ATOM 1495 CD GLN A 93 -16.786 4.606 -9.574 1.00 1.00 C ATOM 1496 OE1 GLN A 93 -17.924 4.281 -9.846 1.00 1.00 O ATOM 1497 NE2 GLN A 93 -15.928 4.839 -10.530 1.00 1.00 N ATOM 0 H GLN A 93 -15.752 5.304 -5.053 1.00 1.00 H new ATOM 0 HA GLN A 93 -15.349 2.547 -5.673 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -15.263 2.874 -8.219 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -16.865 2.734 -7.520 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -17.139 5.189 -7.523 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -15.483 5.413 -8.050 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -14.972 5.112 -10.302 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -16.214 4.748 -11.505 1.00 1.00 H new ATOM 1506 N LEU A 94 -13.409 4.513 -5.167 1.00 1.00 N ATOM 1507 CA LEU A 94 -12.029 5.082 -5.189 1.00 1.00 C ATOM 1508 C LEU A 94 -11.357 4.824 -3.825 1.00 1.00 C ATOM 1509 O LEU A 94 -11.791 5.342 -2.816 1.00 1.00 O ATOM 1510 CB LEU A 94 -12.117 6.598 -5.445 1.00 1.00 C ATOM 1511 CG LEU A 94 -11.278 6.980 -6.672 1.00 1.00 C ATOM 1512 CD1 LEU A 94 -11.956 6.478 -7.954 1.00 1.00 C ATOM 1513 CD2 LEU A 94 -11.140 8.504 -6.731 1.00 1.00 C ATOM 0 H LEU A 94 -13.852 4.492 -4.248 1.00 1.00 H new ATOM 0 HA LEU A 94 -11.441 4.613 -5.978 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -13.156 6.888 -5.602 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -11.763 7.143 -4.570 1.00 1.00 H new ATOM 0 HG LEU A 94 -10.293 6.520 -6.590 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -11.352 6.755 -8.818 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -12.054 5.393 -7.913 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -12.944 6.929 -8.043 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -10.545 8.782 -7.601 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -12.129 8.956 -6.808 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -10.648 8.860 -5.826 1.00 1.00 H new ATOM 1525 N PRO A 95 -10.309 4.029 -3.786 1.00 1.00 N ATOM 1526 CA PRO A 95 -9.591 3.712 -2.512 1.00 1.00 C ATOM 1527 C PRO A 95 -8.694 4.870 -2.066 1.00 1.00 C ATOM 1528 O PRO A 95 -8.019 5.476 -2.873 1.00 1.00 O ATOM 1529 CB PRO A 95 -8.758 2.481 -2.873 1.00 1.00 C ATOM 1530 CG PRO A 95 -8.498 2.599 -4.338 1.00 1.00 C ATOM 1531 CD PRO A 95 -9.691 3.348 -4.939 1.00 1.00 C ATOM 0 HA PRO A 95 -10.272 3.541 -1.678 1.00 1.00 H new ATOM 0 HB2 PRO A 95 -7.826 2.457 -2.309 1.00 1.00 H new ATOM 0 HB3 PRO A 95 -9.295 1.561 -2.641 1.00 1.00 H new ATOM 0 HG2 PRO A 95 -7.569 3.138 -4.524 1.00 1.00 H new ATOM 0 HG3 PRO A 95 -8.391 1.614 -4.792 1.00 1.00 H new ATOM 0 HD2 PRO A 95 -9.372 4.062 -5.699 1.00 1.00 H new ATOM 0 HD3 PRO A 95 -10.390 2.663 -5.419 1.00 1.00 H new ATOM 1539 N ILE A 96 -8.687 5.204 -0.794 1.00 1.00 N ATOM 1540 CA ILE A 96 -7.836 6.344 -0.348 1.00 1.00 C ATOM 1541 C ILE A 96 -7.225 6.095 1.040 1.00 1.00 C ATOM 1542 O ILE A 96 -6.202 6.668 1.359 1.00 1.00 O ATOM 1543 CB ILE A 96 -8.691 7.617 -0.309 1.00 1.00 C ATOM 1544 CG1 ILE A 96 -9.939 7.384 0.565 1.00 1.00 C ATOM 1545 CG2 ILE A 96 -9.132 7.981 -1.733 1.00 1.00 C ATOM 1546 CD1 ILE A 96 -9.687 7.883 1.988 1.00 1.00 C ATOM 0 H ILE A 96 -9.226 4.742 -0.061 1.00 1.00 H new ATOM 0 HA ILE A 96 -7.014 6.453 -1.056 1.00 1.00 H new ATOM 0 HB ILE A 96 -8.101 8.430 0.113 1.00 1.00 H new ATOM 0 HG12 ILE A 96 -10.795 7.904 0.136 1.00 1.00 H new ATOM 0 HG13 ILE A 96 -10.187 6.323 0.582 1.00 1.00 H new ATOM 0 HG21 ILE A 96 -9.740 8.886 -1.706 1.00 1.00 H new ATOM 0 HG22 ILE A 96 -8.253 8.153 -2.353 1.00 1.00 H new ATOM 0 HG23 ILE A 96 -9.718 7.163 -2.153 1.00 1.00 H new ATOM 0 HD11 ILE A 96 -10.576 7.713 2.596 1.00 1.00 H new ATOM 0 HD12 ILE A 96 -8.844 7.343 2.419 1.00 1.00 H new ATOM 0 HD13 ILE A 96 -9.462 8.949 1.965 1.00 1.00 H new ATOM 1558 N HIS A 97 -7.822 5.280 1.884 1.00 1.00 N ATOM 1559 CA HIS A 97 -7.210 5.078 3.243 1.00 1.00 C ATOM 1560 C HIS A 97 -6.768 3.624 3.434 1.00 1.00 C ATOM 1561 O HIS A 97 -7.461 2.696 3.076 1.00 1.00 O ATOM 1562 CB HIS A 97 -8.230 5.452 4.329 1.00 1.00 C ATOM 1563 CG HIS A 97 -7.584 6.348 5.353 1.00 1.00 C ATOM 1564 ND1 HIS A 97 -6.432 5.982 6.035 1.00 1.00 N ATOM 1565 CD2 HIS A 97 -7.917 7.596 5.821 1.00 1.00 C ATOM 1566 CE1 HIS A 97 -6.115 6.991 6.868 1.00 1.00 C ATOM 1567 NE2 HIS A 97 -6.988 7.996 6.775 1.00 1.00 N ATOM 0 H HIS A 97 -8.680 4.760 1.700 1.00 1.00 H new ATOM 0 HA HIS A 97 -6.332 5.719 3.324 1.00 1.00 H new ATOM 0 HB2 HIS A 97 -9.085 5.957 3.879 1.00 1.00 H new ATOM 0 HB3 HIS A 97 -8.609 4.550 4.810 1.00 1.00 H new ATOM 0 HD2 HIS A 97 -8.769 8.176 5.498 1.00 1.00 H new ATOM 0 HE1 HIS A 97 -5.261 6.988 7.529 1.00 1.00 H new ATOM 0 HE2 HIS A 97 -6.976 8.874 7.295 1.00 1.00 H new ATOM 1576 N PHE A 98 -5.613 3.431 4.020 1.00 1.00 N ATOM 1577 CA PHE A 98 -5.107 2.049 4.268 1.00 1.00 C ATOM 1578 C PHE A 98 -5.320 1.709 5.745 1.00 1.00 C ATOM 1579 O PHE A 98 -4.626 2.199 6.612 1.00 1.00 O ATOM 1580 CB PHE A 98 -3.610 1.989 3.936 1.00 1.00 C ATOM 1581 CG PHE A 98 -3.012 0.714 4.486 1.00 1.00 C ATOM 1582 CD1 PHE A 98 -3.177 -0.492 3.794 1.00 1.00 C ATOM 1583 CD2 PHE A 98 -2.289 0.740 5.685 1.00 1.00 C ATOM 1584 CE1 PHE A 98 -2.620 -1.672 4.302 1.00 1.00 C ATOM 1585 CE2 PHE A 98 -1.732 -0.439 6.193 1.00 1.00 C ATOM 1586 CZ PHE A 98 -1.898 -1.645 5.501 1.00 1.00 C ATOM 0 H PHE A 98 -4.996 4.178 4.339 1.00 1.00 H new ATOM 0 HA PHE A 98 -5.642 1.335 3.642 1.00 1.00 H new ATOM 0 HB2 PHE A 98 -3.466 2.032 2.856 1.00 1.00 H new ATOM 0 HB3 PHE A 98 -3.099 2.853 4.361 1.00 1.00 H new ATOM 0 HD1 PHE A 98 -3.734 -0.512 2.869 1.00 1.00 H new ATOM 0 HD2 PHE A 98 -2.161 1.671 6.218 1.00 1.00 H new ATOM 0 HE1 PHE A 98 -2.747 -2.603 3.769 1.00 1.00 H new ATOM 0 HE2 PHE A 98 -1.175 -0.419 7.118 1.00 1.00 H new ATOM 0 HZ PHE A 98 -1.469 -2.555 5.893 1.00 1.00 H new ATOM 1596 N ALA A 99 -6.282 0.878 6.039 1.00 1.00 N ATOM 1597 CA ALA A 99 -6.545 0.515 7.460 1.00 1.00 C ATOM 1598 C ALA A 99 -5.332 -0.217 8.041 1.00 1.00 C ATOM 1599 O ALA A 99 -4.602 0.318 8.851 1.00 1.00 O ATOM 1600 CB ALA A 99 -7.774 -0.393 7.531 1.00 1.00 C ATOM 0 H ALA A 99 -6.897 0.435 5.357 1.00 1.00 H new ATOM 0 HA ALA A 99 -6.726 1.421 8.038 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -7.969 -0.661 8.569 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -8.638 0.131 7.123 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -7.592 -1.298 6.951 1.00 1.00 H new ATOM 1606 N GLY A 100 -5.114 -1.438 7.635 1.00 1.00 N ATOM 1607 CA GLY A 100 -3.951 -2.205 8.164 1.00 1.00 C ATOM 1608 C GLY A 100 -3.760 -3.475 7.335 1.00 1.00 C ATOM 1609 O GLY A 100 -3.698 -3.431 6.123 1.00 1.00 O ATOM 0 H GLY A 100 -5.692 -1.938 6.959 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -3.050 -1.593 8.125 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -4.117 -2.462 9.210 1.00 1.00 H new ATOM 1613 N VAL A 101 -3.667 -4.610 7.978 1.00 1.00 N ATOM 1614 CA VAL A 101 -3.481 -5.887 7.229 1.00 1.00 C ATOM 1615 C VAL A 101 -4.420 -6.952 7.798 1.00 1.00 C ATOM 1616 O VAL A 101 -4.579 -7.078 8.997 1.00 1.00 O ATOM 1617 CB VAL A 101 -2.032 -6.356 7.373 1.00 1.00 C ATOM 1618 CG1 VAL A 101 -1.670 -6.449 8.857 1.00 1.00 C ATOM 1619 CG2 VAL A 101 -1.874 -7.733 6.723 1.00 1.00 C ATOM 0 H VAL A 101 -3.712 -4.707 8.992 1.00 1.00 H new ATOM 0 HA VAL A 101 -3.708 -5.727 6.175 1.00 1.00 H new ATOM 0 HB VAL A 101 -1.370 -5.643 6.881 1.00 1.00 H new ATOM 0 HG11 VAL A 101 -0.638 -6.783 8.959 1.00 1.00 H new ATOM 0 HG12 VAL A 101 -1.782 -5.469 9.321 1.00 1.00 H new ATOM 0 HG13 VAL A 101 -2.332 -7.161 9.349 1.00 1.00 H new ATOM 0 HG21 VAL A 101 -0.842 -8.067 6.825 1.00 1.00 H new ATOM 0 HG22 VAL A 101 -2.537 -8.445 7.214 1.00 1.00 H new ATOM 0 HG23 VAL A 101 -2.131 -7.668 5.666 1.00 1.00 H new ATOM 1629 N GLY A 102 -5.041 -7.723 6.947 1.00 1.00 N ATOM 1630 CA GLY A 102 -5.970 -8.785 7.434 1.00 1.00 C ATOM 1631 C GLY A 102 -7.378 -8.207 7.590 1.00 1.00 C ATOM 1632 O GLY A 102 -7.722 -7.210 6.987 1.00 1.00 O ATOM 0 H GLY A 102 -4.945 -7.664 5.933 1.00 1.00 H new ATOM 0 HA2 GLY A 102 -5.985 -9.619 6.732 1.00 1.00 H new ATOM 0 HA3 GLY A 102 -5.620 -9.178 8.389 1.00 1.00 H new ATOM 1636 N SER A 103 -8.197 -8.830 8.393 1.00 1.00 N ATOM 1637 CA SER A 103 -9.585 -8.324 8.587 1.00 1.00 C ATOM 1638 C SER A 103 -9.551 -6.969 9.297 1.00 1.00 C ATOM 1639 O SER A 103 -8.646 -6.671 10.049 1.00 1.00 O ATOM 1640 CB SER A 103 -10.376 -9.321 9.435 1.00 1.00 C ATOM 1641 OG SER A 103 -11.684 -8.815 9.656 1.00 1.00 O ATOM 0 H SER A 103 -7.964 -9.669 8.924 1.00 1.00 H new ATOM 0 HA SER A 103 -10.063 -8.208 7.614 1.00 1.00 H new ATOM 0 HB2 SER A 103 -10.427 -10.285 8.930 1.00 1.00 H new ATOM 0 HB3 SER A 103 -9.872 -9.486 10.387 1.00 1.00 H new ATOM 0 HG SER A 103 -12.194 -9.453 10.198 1.00 1.00 H new