USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 530 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 36 HIS : no HE2:sc= -1.94! C(o=-4.1!,f=-15!) USER MOD Set 1.2: A 60 TYR OH : rot 164:sc= -2.12! USER MOD Single : A 13 LYS NZ :NH3+ 153:sc= -0.0945 (180deg=-0.784) USER MOD Single : A 14 SER OG : rot -38:sc= 0.0332! USER MOD Single : A 17 CYS SG : rot -101:sc= 0.114 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0462 USER MOD Single : A 20 GLN : amide:sc= -0.579 K(o=-0.58,f=-1.9) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 160:sc= 0 (180deg=-0.389) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN :FLIP amide:sc= -2.66 F(o=-4.8!,f=-2.7) USER MOD Single : A 42 GLN : amide:sc= -0.113 K(o=-0.11,f=-0.91) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0129) USER MOD Single : A 49 LYS NZ :NH3+ -130:sc= -1.32 (180deg=-3.89!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.47) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -110:sc= -1.55 USER MOD Single : A 65 MET CE :methyl 167:sc= -0.472 (180deg=-1.15) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0314 USER MOD Single : A 68 LYS NZ :NH3+ 166:sc= -0.0195 (180deg=-0.322) USER MOD Single : A 72 GLN : amide:sc= -1.68 K(o=-1.7,f=-5.7!) USER MOD Single : A 76 HIS : no HD1:sc= -0.392 X(o=-0.39,f=-0.11) USER MOD Single : A 80 SER OG : rot 180:sc= -0.0584 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 13 8.456 0.199 -11.950 1.00 0.00 N ATOM 2 CA LYS A 13 8.568 0.005 -10.478 1.00 0.00 C ATOM 3 C LYS A 13 7.250 -0.552 -9.933 1.00 0.00 C ATOM 4 O LYS A 13 6.320 -0.802 -10.675 1.00 0.00 O ATOM 5 CB LYS A 13 8.877 1.348 -9.807 1.00 0.00 C ATOM 6 CG LYS A 13 7.727 2.332 -10.050 1.00 0.00 C ATOM 7 CD LYS A 13 8.078 3.685 -9.432 1.00 0.00 C ATOM 8 CE LYS A 13 6.843 4.587 -9.451 1.00 0.00 C ATOM 9 NZ LYS A 13 5.803 4.019 -8.546 1.00 0.00 N ATOM 0 HA LYS A 13 9.372 -0.699 -10.265 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.023 1.204 -8.737 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.806 1.757 -10.204 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.549 2.443 -11.120 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.806 1.948 -9.612 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.428 3.550 -8.409 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.891 4.151 -9.988 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.109 5.594 -9.131 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.453 4.668 -10.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.194 4.785 -8.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.226 3.330 -9.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.263 3.545 -7.743 1.00 0.00 H new ATOM 23 N SER A 14 7.158 -0.742 -8.645 1.00 0.00 N ATOM 24 CA SER A 14 5.893 -1.277 -8.062 1.00 0.00 C ATOM 25 C SER A 14 5.828 -0.947 -6.568 1.00 0.00 C ATOM 26 O SER A 14 6.820 -0.620 -5.948 1.00 0.00 O ATOM 27 CB SER A 14 5.843 -2.796 -8.249 1.00 0.00 C ATOM 28 OG SER A 14 6.334 -3.130 -9.540 1.00 0.00 O ATOM 0 H SER A 14 7.901 -0.551 -7.973 1.00 0.00 H new ATOM 0 HA SER A 14 5.045 -0.818 -8.570 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.442 -3.288 -7.482 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.820 -3.154 -8.133 1.00 0.00 H new ATOM 0 HG SER A 14 6.035 -2.458 -10.188 1.00 0.00 H new ATOM 34 N ILE A 15 4.658 -1.047 -5.990 1.00 0.00 N ATOM 35 CA ILE A 15 4.487 -0.762 -4.531 1.00 0.00 C ATOM 36 C ILE A 15 3.682 -1.903 -3.909 1.00 0.00 C ATOM 37 O ILE A 15 2.688 -2.341 -4.452 1.00 0.00 O ATOM 38 CB ILE A 15 3.735 0.563 -4.347 1.00 0.00 C ATOM 39 CG1 ILE A 15 4.593 1.714 -4.881 1.00 0.00 C ATOM 40 CG2 ILE A 15 3.449 0.793 -2.859 1.00 0.00 C ATOM 41 CD1 ILE A 15 3.759 2.997 -4.932 1.00 0.00 C ATOM 0 H ILE A 15 3.802 -1.318 -6.473 1.00 0.00 H new ATOM 0 HA ILE A 15 5.461 -0.683 -4.047 1.00 0.00 H new ATOM 0 HB ILE A 15 2.794 0.521 -4.895 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.463 1.859 -4.241 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.966 1.471 -5.876 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.915 1.735 -2.732 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.839 -0.025 -2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.390 0.833 -2.310 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.372 3.814 -5.312 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.903 2.849 -5.590 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.408 3.243 -3.930 1.00 0.00 H new ATOM 53 N TRP A 16 4.105 -2.390 -2.773 1.00 0.00 N ATOM 54 CA TRP A 16 3.375 -3.509 -2.104 1.00 0.00 C ATOM 55 C TRP A 16 3.346 -3.239 -0.601 1.00 0.00 C ATOM 56 O TRP A 16 4.308 -2.758 -0.035 1.00 0.00 O ATOM 57 CB TRP A 16 4.110 -4.824 -2.374 1.00 0.00 C ATOM 58 CG TRP A 16 4.100 -5.117 -3.841 1.00 0.00 C ATOM 59 CD1 TRP A 16 4.881 -4.509 -4.766 1.00 0.00 C ATOM 60 CD2 TRP A 16 3.291 -6.088 -4.567 1.00 0.00 C ATOM 61 NE1 TRP A 16 4.598 -5.043 -6.011 1.00 0.00 N ATOM 62 CE2 TRP A 16 3.626 -6.019 -5.939 1.00 0.00 C ATOM 63 CE3 TRP A 16 2.307 -7.012 -4.170 1.00 0.00 C ATOM 64 CZ2 TRP A 16 3.008 -6.839 -6.885 1.00 0.00 C ATOM 65 CZ3 TRP A 16 1.684 -7.836 -5.119 1.00 0.00 C ATOM 66 CH2 TRP A 16 2.034 -7.751 -6.473 1.00 0.00 C ATOM 0 H TRP A 16 4.931 -2.059 -2.275 1.00 0.00 H new ATOM 0 HA TRP A 16 2.358 -3.580 -2.489 1.00 0.00 H new ATOM 0 HB2 TRP A 16 5.137 -4.758 -2.014 1.00 0.00 H new ATOM 0 HB3 TRP A 16 3.632 -5.637 -1.828 1.00 0.00 H new ATOM 0 HD1 TRP A 16 5.606 -3.734 -4.565 1.00 0.00 H new ATOM 0 HE1 TRP A 16 5.053 -4.751 -6.876 1.00 0.00 H new ATOM 0 HE3 TRP A 16 2.030 -7.087 -3.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 3.281 -6.769 -7.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 0.929 -8.541 -4.804 1.00 0.00 H new ATOM 0 HH2 TRP A 16 1.551 -8.390 -7.197 1.00 0.00 H new ATOM 77 N CYS A 17 2.243 -3.524 0.050 1.00 0.00 N ATOM 78 CA CYS A 17 2.140 -3.264 1.522 1.00 0.00 C ATOM 79 C CYS A 17 1.554 -4.478 2.247 1.00 0.00 C ATOM 80 O CYS A 17 0.689 -5.166 1.741 1.00 0.00 O ATOM 81 CB CYS A 17 1.230 -2.056 1.748 1.00 0.00 C ATOM 82 SG CYS A 17 2.088 -0.551 1.227 1.00 0.00 S ATOM 0 H CYS A 17 1.408 -3.926 -0.375 1.00 0.00 H new ATOM 0 HA CYS A 17 3.137 -3.070 1.918 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.304 -2.174 1.184 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.956 -1.985 2.801 1.00 0.00 H new ATOM 0 HG CYS A 17 2.545 0.072 2.273 1.00 0.00 H new ATOM 88 N SER A 18 2.014 -4.729 3.443 1.00 0.00 N ATOM 89 CA SER A 18 1.492 -5.877 4.238 1.00 0.00 C ATOM 90 C SER A 18 0.079 -5.531 4.729 1.00 0.00 C ATOM 91 O SER A 18 -0.262 -4.372 4.857 1.00 0.00 O ATOM 92 CB SER A 18 2.421 -6.104 5.435 1.00 0.00 C ATOM 93 OG SER A 18 2.817 -4.844 5.962 1.00 0.00 O ATOM 0 H SER A 18 2.738 -4.181 3.908 1.00 0.00 H new ATOM 0 HA SER A 18 1.453 -6.782 3.632 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.911 -6.689 6.201 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.297 -6.675 5.128 1.00 0.00 H new ATOM 0 HG SER A 18 3.410 -4.982 6.730 1.00 0.00 H new ATOM 99 N PRO A 19 -0.745 -6.515 5.001 1.00 0.00 N ATOM 100 CA PRO A 19 -2.138 -6.271 5.480 1.00 0.00 C ATOM 101 C PRO A 19 -2.168 -5.380 6.731 1.00 0.00 C ATOM 102 O PRO A 19 -3.160 -4.742 7.022 1.00 0.00 O ATOM 103 CB PRO A 19 -2.689 -7.682 5.785 1.00 0.00 C ATOM 104 CG PRO A 19 -1.492 -8.582 5.827 1.00 0.00 C ATOM 105 CD PRO A 19 -0.460 -7.956 4.890 1.00 0.00 C ATOM 0 HA PRO A 19 -2.735 -5.739 4.739 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.224 -7.697 6.735 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.393 -8.002 5.017 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.100 -8.663 6.841 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.751 -9.590 5.504 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.559 -8.191 5.197 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.575 -8.313 3.866 1.00 0.00 H new ATOM 113 N GLN A 20 -1.095 -5.334 7.473 1.00 0.00 N ATOM 114 CA GLN A 20 -1.081 -4.486 8.697 1.00 0.00 C ATOM 115 C GLN A 20 -1.334 -3.032 8.293 1.00 0.00 C ATOM 116 O GLN A 20 -2.175 -2.359 8.856 1.00 0.00 O ATOM 117 CB GLN A 20 0.287 -4.604 9.383 1.00 0.00 C ATOM 118 CG GLN A 20 0.295 -3.819 10.703 1.00 0.00 C ATOM 119 CD GLN A 20 -0.538 -4.560 11.752 1.00 0.00 C ATOM 120 OE1 GLN A 20 -1.751 -4.557 11.698 1.00 0.00 O ATOM 121 NE2 GLN A 20 0.069 -5.198 12.715 1.00 0.00 N ATOM 0 H GLN A 20 -0.232 -5.844 7.285 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.857 -4.815 9.389 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.515 -5.652 9.575 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.066 -4.224 8.722 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.318 -3.697 11.058 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.109 -2.819 10.545 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.088 -5.201 12.762 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.475 -5.693 13.421 1.00 0.00 H new ATOM 130 N GLU A 21 -0.616 -2.543 7.321 1.00 0.00 N ATOM 131 CA GLU A 21 -0.821 -1.135 6.885 1.00 0.00 C ATOM 132 C GLU A 21 -2.226 -0.985 6.296 1.00 0.00 C ATOM 133 O GLU A 21 -2.917 -0.019 6.552 1.00 0.00 O ATOM 134 CB GLU A 21 0.212 -0.779 5.814 1.00 0.00 C ATOM 135 CG GLU A 21 1.601 -0.690 6.448 1.00 0.00 C ATOM 136 CD GLU A 21 2.654 -0.522 5.352 1.00 0.00 C ATOM 137 OE1 GLU A 21 2.271 -0.453 4.195 1.00 0.00 O ATOM 138 OE2 GLU A 21 3.826 -0.459 5.687 1.00 0.00 O ATOM 0 H GLU A 21 0.102 -3.057 6.811 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.708 -0.470 7.741 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.209 -1.533 5.027 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.047 0.171 5.347 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.643 0.152 7.139 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.806 -1.590 7.028 1.00 0.00 H new ATOM 145 N ILE A 22 -2.649 -1.930 5.502 1.00 0.00 N ATOM 146 CA ILE A 22 -4.004 -1.835 4.890 1.00 0.00 C ATOM 147 C ILE A 22 -5.086 -2.033 5.955 1.00 0.00 C ATOM 148 O ILE A 22 -5.987 -1.228 6.087 1.00 0.00 O ATOM 149 CB ILE A 22 -4.150 -2.899 3.802 1.00 0.00 C ATOM 150 CG1 ILE A 22 -3.160 -2.596 2.674 1.00 0.00 C ATOM 151 CG2 ILE A 22 -5.583 -2.881 3.255 1.00 0.00 C ATOM 152 CD1 ILE A 22 -3.111 -3.773 1.697 1.00 0.00 C ATOM 0 H ILE A 22 -2.116 -2.762 5.251 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.124 -0.845 4.450 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.941 -3.885 4.217 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.459 -1.688 2.150 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.168 -2.413 3.088 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.686 -3.640 2.479 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.284 -3.091 4.063 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.799 -1.899 2.833 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.405 -3.552 0.896 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.791 -4.671 2.225 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.102 -3.935 1.273 1.00 0.00 H new ATOM 164 N MET A 23 -5.024 -3.099 6.707 1.00 0.00 N ATOM 165 CA MET A 23 -6.065 -3.349 7.745 1.00 0.00 C ATOM 166 C MET A 23 -6.212 -2.118 8.638 1.00 0.00 C ATOM 167 O MET A 23 -7.254 -1.889 9.221 1.00 0.00 O ATOM 168 CB MET A 23 -5.641 -4.566 8.579 1.00 0.00 C ATOM 169 CG MET A 23 -6.813 -5.088 9.421 1.00 0.00 C ATOM 170 SD MET A 23 -6.976 -4.085 10.919 1.00 0.00 S ATOM 171 CE MET A 23 -5.794 -5.007 11.934 1.00 0.00 C ATOM 0 H MET A 23 -4.295 -3.810 6.647 1.00 0.00 H new ATOM 0 HA MET A 23 -7.027 -3.547 7.272 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.281 -5.356 7.920 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.812 -4.293 9.232 1.00 0.00 H new ATOM 0 HG2 MET A 23 -7.736 -5.049 8.842 1.00 0.00 H new ATOM 0 HG3 MET A 23 -6.647 -6.132 9.686 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.733 -4.554 12.923 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.125 -6.041 12.028 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.812 -4.982 11.462 1.00 0.00 H new ATOM 181 N ALA A 24 -5.191 -1.314 8.744 1.00 0.00 N ATOM 182 CA ALA A 24 -5.299 -0.093 9.589 1.00 0.00 C ATOM 183 C ALA A 24 -5.998 1.003 8.782 1.00 0.00 C ATOM 184 O ALA A 24 -6.363 2.038 9.303 1.00 0.00 O ATOM 185 CB ALA A 24 -3.898 0.376 9.988 1.00 0.00 C ATOM 0 H ALA A 24 -4.291 -1.449 8.284 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.872 -0.312 10.490 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.976 1.270 10.607 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.397 -0.412 10.550 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.322 0.604 9.091 1.00 0.00 H new ATOM 191 N ALA A 25 -6.191 0.777 7.509 1.00 0.00 N ATOM 192 CA ALA A 25 -6.870 1.796 6.659 1.00 0.00 C ATOM 193 C ALA A 25 -8.388 1.689 6.854 1.00 0.00 C ATOM 194 O ALA A 25 -8.949 0.610 6.845 1.00 0.00 O ATOM 195 CB ALA A 25 -6.512 1.556 5.187 1.00 0.00 C ATOM 0 H ALA A 25 -5.906 -0.072 7.021 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.540 2.794 6.947 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.009 2.301 4.566 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.433 1.636 5.057 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.840 0.560 4.891 1.00 0.00 H new ATOM 201 N ASP A 26 -9.053 2.797 7.038 1.00 0.00 N ATOM 202 CA ASP A 26 -10.532 2.761 7.240 1.00 0.00 C ATOM 203 C ASP A 26 -11.216 2.134 6.021 1.00 0.00 C ATOM 204 O ASP A 26 -12.153 1.374 6.152 1.00 0.00 O ATOM 205 CB ASP A 26 -11.057 4.185 7.441 1.00 0.00 C ATOM 206 CG ASP A 26 -10.593 4.717 8.799 1.00 0.00 C ATOM 207 OD1 ASP A 26 -10.099 3.928 9.586 1.00 0.00 O ATOM 208 OD2 ASP A 26 -10.738 5.908 9.027 1.00 0.00 O ATOM 0 H ASP A 26 -8.636 3.728 7.057 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.754 2.160 8.122 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.695 4.833 6.643 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.146 4.193 7.389 1.00 0.00 H new ATOM 213 N GLY A 27 -10.761 2.445 4.838 1.00 0.00 N ATOM 214 CA GLY A 27 -11.397 1.862 3.619 1.00 0.00 C ATOM 215 C GLY A 27 -11.458 0.340 3.755 1.00 0.00 C ATOM 216 O GLY A 27 -12.324 -0.308 3.200 1.00 0.00 O ATOM 0 H GLY A 27 -9.979 3.075 4.661 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.401 2.267 3.490 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.827 2.136 2.732 1.00 0.00 H new ATOM 220 N MET A 28 -10.538 -0.229 4.487 1.00 0.00 N ATOM 221 CA MET A 28 -10.506 -1.712 4.679 1.00 0.00 C ATOM 222 C MET A 28 -10.535 -2.014 6.182 1.00 0.00 C ATOM 223 O MET A 28 -9.511 -2.251 6.791 1.00 0.00 O ATOM 224 CB MET A 28 -9.213 -2.261 4.070 1.00 0.00 C ATOM 225 CG MET A 28 -9.093 -1.806 2.613 1.00 0.00 C ATOM 226 SD MET A 28 -8.490 -0.103 2.555 1.00 0.00 S ATOM 227 CE MET A 28 -7.958 -0.125 0.827 1.00 0.00 C ATOM 0 H MET A 28 -9.795 0.277 4.968 1.00 0.00 H new ATOM 0 HA MET A 28 -11.364 -2.177 4.194 1.00 0.00 H new ATOM 0 HB2 MET A 28 -8.354 -1.911 4.642 1.00 0.00 H new ATOM 0 HB3 MET A 28 -9.209 -3.350 4.122 1.00 0.00 H new ATOM 0 HG2 MET A 28 -8.411 -2.462 2.072 1.00 0.00 H new ATOM 0 HG3 MET A 28 -10.062 -1.876 2.119 1.00 0.00 H new ATOM 0 HE1 MET A 28 -7.879 0.897 0.458 1.00 0.00 H new ATOM 0 HE2 MET A 28 -6.987 -0.614 0.751 1.00 0.00 H new ATOM 0 HE3 MET A 28 -8.687 -0.672 0.229 1.00 0.00 H new ATOM 237 N PRO A 29 -11.702 -1.977 6.781 1.00 0.00 N ATOM 238 CA PRO A 29 -11.873 -2.219 8.241 1.00 0.00 C ATOM 239 C PRO A 29 -12.027 -3.700 8.578 1.00 0.00 C ATOM 240 O PRO A 29 -12.214 -4.532 7.712 1.00 0.00 O ATOM 241 CB PRO A 29 -13.169 -1.482 8.548 1.00 0.00 C ATOM 242 CG PRO A 29 -13.991 -1.679 7.315 1.00 0.00 C ATOM 243 CD PRO A 29 -13.001 -1.705 6.137 1.00 0.00 C ATOM 0 HA PRO A 29 -11.009 -1.885 8.816 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -13.664 -1.892 9.428 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.991 -0.425 8.746 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -14.556 -2.609 7.369 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.715 -0.873 7.197 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -13.259 -2.478 5.413 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -12.992 -0.756 5.600 1.00 0.00 H new ATOM 251 N GLY A 30 -11.929 -4.034 9.836 1.00 0.00 N ATOM 252 CA GLY A 30 -12.044 -5.456 10.258 1.00 0.00 C ATOM 253 C GLY A 30 -10.637 -5.964 10.519 1.00 0.00 C ATOM 254 O GLY A 30 -9.669 -5.309 10.189 1.00 0.00 O ATOM 0 H GLY A 30 -11.772 -3.373 10.597 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.656 -5.542 11.156 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.529 -6.049 9.483 1.00 0.00 H new ATOM 258 N SER A 31 -10.494 -7.104 11.118 1.00 0.00 N ATOM 259 CA SER A 31 -9.125 -7.606 11.399 1.00 0.00 C ATOM 260 C SER A 31 -8.447 -7.961 10.078 1.00 0.00 C ATOM 261 O SER A 31 -8.923 -7.612 9.016 1.00 0.00 O ATOM 262 CB SER A 31 -9.210 -8.848 12.283 1.00 0.00 C ATOM 263 OG SER A 31 -9.840 -9.898 11.560 1.00 0.00 O ATOM 0 H SER A 31 -11.257 -7.708 11.424 1.00 0.00 H new ATOM 0 HA SER A 31 -8.547 -6.839 11.914 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.212 -9.155 12.596 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.774 -8.626 13.189 1.00 0.00 H new ATOM 0 HG SER A 31 -9.894 -10.697 12.125 1.00 0.00 H new ATOM 269 N VAL A 32 -7.329 -8.624 10.129 1.00 0.00 N ATOM 270 CA VAL A 32 -6.625 -8.957 8.864 1.00 0.00 C ATOM 271 C VAL A 32 -7.546 -9.788 7.970 1.00 0.00 C ATOM 272 O VAL A 32 -7.696 -9.508 6.800 1.00 0.00 O ATOM 273 CB VAL A 32 -5.352 -9.747 9.173 1.00 0.00 C ATOM 274 CG1 VAL A 32 -4.703 -10.187 7.862 1.00 0.00 C ATOM 275 CG2 VAL A 32 -4.382 -8.861 9.959 1.00 0.00 C ATOM 0 H VAL A 32 -6.875 -8.947 10.984 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.356 -8.036 8.347 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.598 -10.626 9.769 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.795 -10.751 8.077 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.398 -10.816 7.305 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.453 -9.309 7.267 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.474 -9.422 10.180 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.130 -7.982 9.366 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.851 -8.547 10.892 1.00 0.00 H new ATOM 285 N ALA A 33 -8.171 -10.804 8.496 1.00 0.00 N ATOM 286 CA ALA A 33 -9.077 -11.627 7.648 1.00 0.00 C ATOM 287 C ALA A 33 -10.191 -10.732 7.096 1.00 0.00 C ATOM 288 O ALA A 33 -10.601 -10.863 5.962 1.00 0.00 O ATOM 289 CB ALA A 33 -9.682 -12.753 8.492 1.00 0.00 C ATOM 0 H ALA A 33 -8.095 -11.099 9.470 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.518 -12.064 6.821 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.345 -13.356 7.872 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.883 -13.381 8.887 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.248 -12.324 9.319 1.00 0.00 H new ATOM 295 N GLY A 34 -10.684 -9.820 7.887 1.00 0.00 N ATOM 296 CA GLY A 34 -11.765 -8.923 7.389 1.00 0.00 C ATOM 297 C GLY A 34 -11.318 -8.292 6.070 1.00 0.00 C ATOM 298 O GLY A 34 -12.093 -8.149 5.145 1.00 0.00 O ATOM 0 H GLY A 34 -10.388 -9.657 8.850 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.686 -9.488 7.243 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.979 -8.147 8.124 1.00 0.00 H new ATOM 302 N VAL A 35 -10.068 -7.925 5.967 1.00 0.00 N ATOM 303 CA VAL A 35 -9.574 -7.320 4.699 1.00 0.00 C ATOM 304 C VAL A 35 -9.685 -8.373 3.595 1.00 0.00 C ATOM 305 O VAL A 35 -10.104 -8.097 2.488 1.00 0.00 O ATOM 306 CB VAL A 35 -8.103 -6.925 4.862 1.00 0.00 C ATOM 307 CG1 VAL A 35 -7.511 -6.526 3.507 1.00 0.00 C ATOM 308 CG2 VAL A 35 -7.988 -5.758 5.843 1.00 0.00 C ATOM 0 H VAL A 35 -9.370 -8.018 6.705 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.161 -6.436 4.450 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.548 -7.778 5.251 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.465 -6.247 3.635 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.581 -7.367 2.818 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.066 -5.679 3.103 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.940 -5.480 5.956 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.551 -4.906 5.462 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.391 -6.055 6.811 1.00 0.00 H new ATOM 318 N HIS A 36 -9.309 -9.584 3.904 1.00 0.00 N ATOM 319 CA HIS A 36 -9.382 -10.681 2.903 1.00 0.00 C ATOM 320 C HIS A 36 -10.830 -10.856 2.452 1.00 0.00 C ATOM 321 O HIS A 36 -11.105 -11.139 1.302 1.00 0.00 O ATOM 322 CB HIS A 36 -8.874 -11.982 3.526 1.00 0.00 C ATOM 323 CG HIS A 36 -7.389 -11.890 3.741 1.00 0.00 C ATOM 324 ND1 HIS A 36 -6.821 -11.011 4.651 1.00 0.00 N ATOM 325 CD2 HIS A 36 -6.343 -12.574 3.179 1.00 0.00 C ATOM 326 CE1 HIS A 36 -5.488 -11.192 4.608 1.00 0.00 C ATOM 327 NE2 HIS A 36 -5.143 -12.133 3.728 1.00 0.00 N ATOM 0 H HIS A 36 -8.951 -9.861 4.818 1.00 0.00 H new ATOM 0 HA HIS A 36 -8.761 -10.432 2.043 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -9.379 -12.164 4.475 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -9.106 -12.824 2.874 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -7.322 -10.349 5.244 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.436 -13.340 2.424 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.783 -10.642 5.213 1.00 0.00 H new ATOM 335 N TYR A 37 -11.762 -10.695 3.349 1.00 0.00 N ATOM 336 CA TYR A 37 -13.186 -10.862 2.961 1.00 0.00 C ATOM 337 C TYR A 37 -13.522 -9.869 1.851 1.00 0.00 C ATOM 338 O TYR A 37 -14.137 -10.216 0.864 1.00 0.00 O ATOM 339 CB TYR A 37 -14.085 -10.600 4.169 1.00 0.00 C ATOM 340 CG TYR A 37 -15.526 -10.761 3.756 1.00 0.00 C ATOM 341 CD1 TYR A 37 -16.238 -9.656 3.273 1.00 0.00 C ATOM 342 CD2 TYR A 37 -16.152 -12.009 3.854 1.00 0.00 C ATOM 343 CE1 TYR A 37 -17.574 -9.799 2.886 1.00 0.00 C ATOM 344 CE2 TYR A 37 -17.491 -12.152 3.467 1.00 0.00 C ATOM 345 CZ TYR A 37 -18.202 -11.046 2.983 1.00 0.00 C ATOM 346 OH TYR A 37 -19.520 -11.185 2.601 1.00 0.00 O ATOM 0 H TYR A 37 -11.599 -10.457 4.327 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.350 -11.880 2.607 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -13.845 -11.294 4.974 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -13.914 -9.595 4.554 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -15.755 -8.693 3.199 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.603 -12.861 4.228 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -18.122 -8.947 2.512 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -17.975 -13.115 3.542 1.00 0.00 H new ATOM 0 HH TYR A 37 -19.802 -12.115 2.731 1.00 0.00 H new ATOM 356 N ARG A 38 -13.114 -8.642 1.988 1.00 0.00 N ATOM 357 CA ARG A 38 -13.405 -7.650 0.920 1.00 0.00 C ATOM 358 C ARG A 38 -12.679 -8.098 -0.358 1.00 0.00 C ATOM 359 O ARG A 38 -13.217 -8.058 -1.446 1.00 0.00 O ATOM 360 CB ARG A 38 -12.895 -6.268 1.372 1.00 0.00 C ATOM 361 CG ARG A 38 -13.682 -5.148 0.674 1.00 0.00 C ATOM 362 CD ARG A 38 -13.373 -5.130 -0.827 1.00 0.00 C ATOM 363 NE ARG A 38 -13.604 -3.750 -1.359 1.00 0.00 N ATOM 364 CZ ARG A 38 -14.738 -3.132 -1.166 1.00 0.00 C ATOM 365 NH1 ARG A 38 -15.770 -3.775 -0.693 1.00 0.00 N ATOM 366 NH2 ARG A 38 -14.857 -1.877 -1.505 1.00 0.00 N ATOM 0 H ARG A 38 -12.594 -8.283 2.789 1.00 0.00 H new ATOM 0 HA ARG A 38 -14.476 -7.584 0.727 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -12.997 -6.172 2.453 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.834 -6.173 1.142 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -14.751 -5.295 0.830 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -13.425 -4.185 1.116 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.340 -5.432 -1.002 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -14.007 -5.846 -1.350 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.862 -3.284 -1.882 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -15.695 -4.768 -0.471 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -16.652 -3.285 -0.545 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.066 -1.383 -1.919 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.741 -1.390 -1.356 1.00 0.00 H new ATOM 380 N ALA A 39 -11.452 -8.523 -0.218 1.00 0.00 N ATOM 381 CA ALA A 39 -10.657 -8.973 -1.398 1.00 0.00 C ATOM 382 C ALA A 39 -11.187 -10.306 -1.940 1.00 0.00 C ATOM 383 O ALA A 39 -10.668 -10.832 -2.903 1.00 0.00 O ATOM 384 CB ALA A 39 -9.195 -9.146 -0.982 1.00 0.00 C ATOM 0 H ALA A 39 -10.961 -8.578 0.674 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.742 -8.220 -2.182 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.609 -9.475 -1.840 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.805 -8.195 -0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -9.128 -9.892 -0.190 1.00 0.00 H new ATOM 390 N ASN A 40 -12.220 -10.856 -1.358 1.00 0.00 N ATOM 391 CA ASN A 40 -12.753 -12.144 -1.897 1.00 0.00 C ATOM 392 C ASN A 40 -13.476 -11.872 -3.216 1.00 0.00 C ATOM 393 O ASN A 40 -13.310 -12.582 -4.188 1.00 0.00 O ATOM 394 CB ASN A 40 -13.731 -12.775 -0.902 1.00 0.00 C ATOM 395 CG ASN A 40 -12.964 -13.320 0.304 1.00 0.00 C ATOM 396 OD1 ASN A 40 -11.659 -13.295 0.301 1.00 0.00 O flip ATOM 397 ND2 ASN A 40 -13.559 -13.776 1.260 1.00 0.00 N flip ATOM 0 H ASN A 40 -12.711 -10.479 -0.547 1.00 0.00 H new ATOM 0 HA ASN A 40 -11.924 -12.833 -2.059 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -14.461 -12.034 -0.576 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -14.287 -13.579 -1.385 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -14.579 -13.796 1.264 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -13.039 -14.139 2.059 1.00 0.00 H new ATOM 404 N VAL A 41 -14.274 -10.840 -3.257 1.00 0.00 N ATOM 405 CA VAL A 41 -15.004 -10.511 -4.513 1.00 0.00 C ATOM 406 C VAL A 41 -14.015 -9.956 -5.539 1.00 0.00 C ATOM 407 O VAL A 41 -14.004 -10.353 -6.688 1.00 0.00 O ATOM 408 CB VAL A 41 -16.081 -9.464 -4.221 1.00 0.00 C ATOM 409 CG1 VAL A 41 -16.717 -9.005 -5.535 1.00 0.00 C ATOM 410 CG2 VAL A 41 -17.156 -10.078 -3.321 1.00 0.00 C ATOM 0 H VAL A 41 -14.452 -10.211 -2.474 1.00 0.00 H new ATOM 0 HA VAL A 41 -15.475 -11.411 -4.908 1.00 0.00 H new ATOM 0 HB VAL A 41 -15.630 -8.608 -3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -17.484 -8.259 -5.327 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -15.952 -8.569 -6.177 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -17.169 -9.860 -6.039 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -17.924 -9.334 -3.112 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -17.607 -10.933 -3.824 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -16.703 -10.405 -2.385 1.00 0.00 H new ATOM 420 N GLN A 42 -13.189 -9.031 -5.131 1.00 0.00 N ATOM 421 CA GLN A 42 -12.202 -8.438 -6.075 1.00 0.00 C ATOM 422 C GLN A 42 -11.006 -9.381 -6.219 1.00 0.00 C ATOM 423 O GLN A 42 -10.722 -10.172 -5.341 1.00 0.00 O ATOM 424 CB GLN A 42 -11.727 -7.087 -5.537 1.00 0.00 C ATOM 425 CG GLN A 42 -12.924 -6.144 -5.391 1.00 0.00 C ATOM 426 CD GLN A 42 -13.438 -5.746 -6.777 1.00 0.00 C ATOM 427 OE1 GLN A 42 -12.661 -5.507 -7.681 1.00 0.00 O ATOM 428 NE2 GLN A 42 -14.723 -5.657 -6.980 1.00 0.00 N ATOM 0 H GLN A 42 -13.156 -8.660 -4.181 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.671 -8.294 -7.048 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.236 -7.220 -4.573 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.990 -6.654 -6.213 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.717 -6.632 -4.825 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -12.633 -5.255 -4.831 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -15.374 -5.858 -6.221 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -15.077 -5.387 -7.898 1.00 0.00 H new ATOM 437 N GLY A 43 -10.304 -9.302 -7.322 1.00 0.00 N ATOM 438 CA GLY A 43 -9.118 -10.190 -7.541 1.00 0.00 C ATOM 439 C GLY A 43 -7.835 -9.367 -7.418 1.00 0.00 C ATOM 440 O GLY A 43 -7.146 -9.125 -8.388 1.00 0.00 O ATOM 0 H GLY A 43 -10.502 -8.656 -8.086 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.116 -10.998 -6.810 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.173 -10.652 -8.527 1.00 0.00 H new ATOM 444 N TRP A 44 -7.508 -8.936 -6.231 1.00 0.00 N ATOM 445 CA TRP A 44 -6.268 -8.128 -6.043 1.00 0.00 C ATOM 446 C TRP A 44 -5.053 -9.017 -6.298 1.00 0.00 C ATOM 447 O TRP A 44 -5.100 -10.213 -6.091 1.00 0.00 O ATOM 448 CB TRP A 44 -6.177 -7.629 -4.598 1.00 0.00 C ATOM 449 CG TRP A 44 -7.270 -6.657 -4.283 1.00 0.00 C ATOM 450 CD1 TRP A 44 -8.347 -6.387 -5.060 1.00 0.00 C ATOM 451 CD2 TRP A 44 -7.399 -5.818 -3.101 1.00 0.00 C ATOM 452 NE1 TRP A 44 -9.133 -5.445 -4.418 1.00 0.00 N ATOM 453 CE2 TRP A 44 -8.588 -5.062 -3.208 1.00 0.00 C ATOM 454 CE3 TRP A 44 -6.604 -5.646 -1.952 1.00 0.00 C ATOM 455 CZ2 TRP A 44 -8.975 -4.166 -2.210 1.00 0.00 C ATOM 456 CZ3 TRP A 44 -6.987 -4.748 -0.949 1.00 0.00 C ATOM 457 CH2 TRP A 44 -8.172 -4.009 -1.075 1.00 0.00 C ATOM 0 H TRP A 44 -8.046 -9.108 -5.382 1.00 0.00 H new ATOM 0 HA TRP A 44 -6.293 -7.283 -6.732 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -6.235 -8.477 -3.915 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.209 -7.155 -4.436 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.557 -6.833 -6.021 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -10.008 -5.079 -4.793 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.691 -6.212 -1.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.888 -3.598 -2.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.367 -4.624 -0.074 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -8.465 -3.319 -0.297 1.00 0.00 H new ATOM 468 N THR A 45 -3.951 -8.451 -6.712 1.00 0.00 N ATOM 469 CA THR A 45 -2.742 -9.289 -6.927 1.00 0.00 C ATOM 470 C THR A 45 -2.141 -9.593 -5.556 1.00 0.00 C ATOM 471 O THR A 45 -1.925 -8.703 -4.748 1.00 0.00 O ATOM 472 CB THR A 45 -1.724 -8.548 -7.797 1.00 0.00 C ATOM 473 OG1 THR A 45 -0.603 -9.390 -8.031 1.00 0.00 O ATOM 474 CG2 THR A 45 -1.264 -7.275 -7.091 1.00 0.00 C ATOM 0 H THR A 45 -3.838 -7.456 -6.908 1.00 0.00 H new ATOM 0 HA THR A 45 -3.009 -10.212 -7.442 1.00 0.00 H new ATOM 0 HB THR A 45 -2.189 -8.282 -8.746 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.050 -8.918 -8.589 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.540 -6.753 -7.717 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.122 -6.627 -6.913 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.801 -7.534 -6.139 1.00 0.00 H new ATOM 482 N LYS A 46 -1.910 -10.850 -5.275 1.00 0.00 N ATOM 483 CA LYS A 46 -1.364 -11.252 -3.942 1.00 0.00 C ATOM 484 C LYS A 46 -0.101 -12.087 -4.136 1.00 0.00 C ATOM 485 O LYS A 46 0.059 -12.767 -5.130 1.00 0.00 O ATOM 486 CB LYS A 46 -2.405 -12.113 -3.222 1.00 0.00 C ATOM 487 CG LYS A 46 -3.757 -11.388 -3.195 1.00 0.00 C ATOM 488 CD LYS A 46 -4.848 -12.324 -2.644 1.00 0.00 C ATOM 489 CE LYS A 46 -5.338 -13.286 -3.738 1.00 0.00 C ATOM 490 NZ LYS A 46 -6.568 -13.981 -3.266 1.00 0.00 N ATOM 0 H LYS A 46 -2.078 -11.623 -5.919 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.133 -10.360 -3.360 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.508 -13.073 -3.728 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.075 -12.323 -2.205 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.687 -10.494 -2.575 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.022 -11.059 -4.200 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.455 -12.893 -1.801 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.685 -11.735 -2.269 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.546 -12.736 -4.656 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.562 -14.014 -3.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.903 -14.633 -4.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.354 -14.517 -2.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.308 -13.278 -3.063 1.00 0.00 H new ATOM 504 N ARG A 47 0.792 -12.052 -3.185 1.00 0.00 N ATOM 505 CA ARG A 47 2.045 -12.856 -3.298 1.00 0.00 C ATOM 506 C ARG A 47 2.455 -13.324 -1.901 1.00 0.00 C ATOM 507 O ARG A 47 2.576 -12.538 -0.982 1.00 0.00 O ATOM 508 CB ARG A 47 3.157 -11.989 -3.902 1.00 0.00 C ATOM 509 CG ARG A 47 3.337 -10.717 -3.067 1.00 0.00 C ATOM 510 CD ARG A 47 4.193 -9.715 -3.839 1.00 0.00 C ATOM 511 NE ARG A 47 5.526 -10.313 -4.122 1.00 0.00 N ATOM 512 CZ ARG A 47 6.301 -9.773 -5.021 1.00 0.00 C ATOM 513 NH1 ARG A 47 5.908 -8.708 -5.662 1.00 0.00 N ATOM 514 NH2 ARG A 47 7.469 -10.298 -5.276 1.00 0.00 N ATOM 0 H ARG A 47 0.709 -11.500 -2.331 1.00 0.00 H new ATOM 0 HA ARG A 47 1.879 -13.719 -3.942 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.091 -12.550 -3.933 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.908 -11.727 -4.930 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.365 -10.280 -2.838 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.811 -10.958 -2.115 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.700 -9.442 -4.772 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.309 -8.799 -3.260 1.00 0.00 H new ATOM 0 HE ARG A 47 5.833 -11.143 -3.614 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.996 -8.299 -5.460 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.513 -8.284 -6.366 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.775 -11.130 -4.772 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.075 -9.876 -5.979 1.00 0.00 H new ATOM 528 N LYS A 48 2.665 -14.599 -1.725 1.00 0.00 N ATOM 529 CA LYS A 48 3.064 -15.108 -0.383 1.00 0.00 C ATOM 530 C LYS A 48 4.581 -14.994 -0.234 1.00 0.00 C ATOM 531 O LYS A 48 5.316 -15.099 -1.195 1.00 0.00 O ATOM 532 CB LYS A 48 2.642 -16.571 -0.246 1.00 0.00 C ATOM 533 CG LYS A 48 1.115 -16.659 -0.289 1.00 0.00 C ATOM 534 CD LYS A 48 0.679 -18.119 -0.153 1.00 0.00 C ATOM 535 CE LYS A 48 -0.850 -18.206 -0.196 1.00 0.00 C ATOM 536 NZ LYS A 48 -1.317 -18.083 -1.606 1.00 0.00 N ATOM 0 H LYS A 48 2.578 -15.310 -2.451 1.00 0.00 H new ATOM 0 HA LYS A 48 2.576 -14.520 0.394 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.075 -17.164 -1.051 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.016 -16.984 0.691 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.684 -16.064 0.516 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.743 -16.244 -1.226 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.110 -18.714 -0.958 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.051 -18.534 0.784 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.183 -19.154 0.227 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.287 -17.415 0.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.346 -18.227 -1.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.086 -17.135 -1.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.845 -18.801 -2.192 1.00 0.00 H new ATOM 550 N LYS A 49 5.059 -14.778 0.963 1.00 0.00 N ATOM 551 CA LYS A 49 6.537 -14.657 1.173 1.00 0.00 C ATOM 552 C LYS A 49 6.894 -15.236 2.544 1.00 0.00 C ATOM 553 O LYS A 49 6.495 -14.723 3.568 1.00 0.00 O ATOM 554 CB LYS A 49 6.948 -13.177 1.139 1.00 0.00 C ATOM 555 CG LYS A 49 6.771 -12.611 -0.268 1.00 0.00 C ATOM 556 CD LYS A 49 7.147 -11.121 -0.286 1.00 0.00 C ATOM 557 CE LYS A 49 8.656 -10.936 -0.061 1.00 0.00 C ATOM 558 NZ LYS A 49 8.944 -10.918 1.401 1.00 0.00 N ATOM 0 H LYS A 49 4.493 -14.680 1.806 1.00 0.00 H new ATOM 0 HA LYS A 49 7.059 -15.199 0.385 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.344 -12.608 1.846 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.987 -13.074 1.452 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.396 -13.161 -0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.738 -12.738 -0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.861 -10.681 -1.241 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.592 -10.592 0.488 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.207 -11.745 -0.541 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.991 -10.006 -0.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.532 -10.091 1.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.050 -10.864 1.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.451 -11.786 1.666 1.00 0.00 H new ATOM 572 N GLU A 50 7.645 -16.303 2.574 1.00 0.00 N ATOM 573 CA GLU A 50 8.024 -16.906 3.884 1.00 0.00 C ATOM 574 C GLU A 50 9.141 -16.079 4.523 1.00 0.00 C ATOM 575 O GLU A 50 9.934 -15.464 3.839 1.00 0.00 O ATOM 576 CB GLU A 50 8.496 -18.352 3.674 1.00 0.00 C ATOM 577 CG GLU A 50 9.798 -18.370 2.867 1.00 0.00 C ATOM 578 CD GLU A 50 10.170 -19.817 2.538 1.00 0.00 C ATOM 579 OE1 GLU A 50 9.766 -20.696 3.283 1.00 0.00 O ATOM 580 OE2 GLU A 50 10.857 -20.023 1.552 1.00 0.00 O ATOM 0 H GLU A 50 8.012 -16.782 1.751 1.00 0.00 H new ATOM 0 HA GLU A 50 7.157 -16.910 4.545 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.650 -18.836 4.638 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.727 -18.921 3.151 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.678 -17.796 1.948 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.598 -17.897 3.436 1.00 0.00 H new ATOM 587 N GLY A 51 9.205 -16.063 5.833 1.00 0.00 N ATOM 588 CA GLY A 51 10.270 -15.280 6.543 1.00 0.00 C ATOM 589 C GLY A 51 9.620 -14.188 7.398 1.00 0.00 C ATOM 590 O GLY A 51 8.501 -14.325 7.852 1.00 0.00 O ATOM 0 H GLY A 51 8.561 -16.562 6.447 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.865 -15.943 7.172 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.950 -14.832 5.819 1.00 0.00 H new ATOM 594 N VAL A 52 10.316 -13.104 7.618 1.00 0.00 N ATOM 595 CA VAL A 52 9.749 -12.000 8.440 1.00 0.00 C ATOM 596 C VAL A 52 9.341 -12.540 9.818 1.00 0.00 C ATOM 597 O VAL A 52 10.120 -13.184 10.492 1.00 0.00 O ATOM 598 CB VAL A 52 8.533 -11.419 7.715 1.00 0.00 C ATOM 599 CG1 VAL A 52 8.191 -10.037 8.284 1.00 0.00 C ATOM 600 CG2 VAL A 52 8.853 -11.285 6.220 1.00 0.00 C ATOM 0 H VAL A 52 11.257 -12.937 7.261 1.00 0.00 H new ATOM 0 HA VAL A 52 10.494 -11.217 8.581 1.00 0.00 H new ATOM 0 HB VAL A 52 7.681 -12.084 7.856 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.324 -9.633 7.761 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.964 -10.127 9.346 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.041 -9.368 8.150 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.990 -10.871 5.699 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.708 -10.622 6.089 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.089 -12.267 5.809 1.00 0.00 H new ATOM 610 N LYS A 53 8.134 -12.282 10.246 1.00 0.00 N ATOM 611 CA LYS A 53 7.694 -12.782 11.583 1.00 0.00 C ATOM 612 C LYS A 53 7.281 -14.249 11.479 1.00 0.00 C ATOM 613 O LYS A 53 7.016 -14.899 12.472 1.00 0.00 O ATOM 614 CB LYS A 53 6.499 -11.963 12.074 1.00 0.00 C ATOM 615 CG LYS A 53 6.948 -10.546 12.438 1.00 0.00 C ATOM 616 CD LYS A 53 5.721 -9.640 12.607 1.00 0.00 C ATOM 617 CE LYS A 53 4.813 -10.181 13.718 1.00 0.00 C ATOM 618 NZ LYS A 53 3.815 -9.141 14.094 1.00 0.00 N ATOM 0 H LYS A 53 7.435 -11.748 9.730 1.00 0.00 H new ATOM 0 HA LYS A 53 8.522 -12.683 12.285 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.733 -11.923 11.300 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.050 -12.445 12.942 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.528 -10.564 13.361 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.600 -10.150 11.659 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.039 -8.626 12.849 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.168 -9.586 11.669 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.304 -11.083 13.379 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.410 -10.459 14.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.199 -9.507 14.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.310 -8.292 14.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.238 -8.897 13.264 1.00 0.00 H new ATOM 632 N GLY A 54 7.206 -14.775 10.288 1.00 0.00 N ATOM 633 CA GLY A 54 6.790 -16.198 10.122 1.00 0.00 C ATOM 634 C GLY A 54 5.270 -16.252 9.963 1.00 0.00 C ATOM 635 O GLY A 54 4.622 -15.238 9.797 1.00 0.00 O ATOM 0 H GLY A 54 7.415 -14.281 9.420 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.276 -16.634 9.249 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.100 -16.785 10.986 1.00 0.00 H new ATOM 639 N GLY A 55 4.692 -17.420 10.000 1.00 0.00 N ATOM 640 CA GLY A 55 3.214 -17.513 9.837 1.00 0.00 C ATOM 641 C GLY A 55 2.860 -17.171 8.391 1.00 0.00 C ATOM 642 O GLY A 55 1.760 -16.754 8.092 1.00 0.00 O ATOM 0 H GLY A 55 5.175 -18.308 10.135 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.869 -18.517 10.083 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.714 -16.827 10.521 1.00 0.00 H new ATOM 646 N LYS A 56 3.804 -17.338 7.499 1.00 0.00 N ATOM 647 CA LYS A 56 3.572 -17.025 6.057 1.00 0.00 C ATOM 648 C LYS A 56 3.157 -15.565 5.898 1.00 0.00 C ATOM 649 O LYS A 56 2.174 -15.118 6.452 1.00 0.00 O ATOM 650 CB LYS A 56 2.486 -17.928 5.477 1.00 0.00 C ATOM 651 CG LYS A 56 2.980 -19.373 5.464 1.00 0.00 C ATOM 652 CD LYS A 56 1.993 -20.234 4.678 1.00 0.00 C ATOM 653 CE LYS A 56 2.275 -21.712 4.953 1.00 0.00 C ATOM 654 NZ LYS A 56 3.731 -21.979 4.788 1.00 0.00 N ATOM 0 H LYS A 56 4.740 -17.683 7.713 1.00 0.00 H new ATOM 0 HA LYS A 56 4.502 -17.200 5.516 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.576 -17.849 6.072 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.235 -17.609 4.465 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.970 -19.427 5.011 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.075 -19.747 6.484 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.971 -19.988 4.965 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.083 -20.028 3.611 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.959 -21.972 5.963 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.700 -22.336 4.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.884 -22.999 4.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.087 -21.464 3.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.241 -21.661 5.637 1.00 0.00 H new ATOM 668 N ALA A 57 3.907 -14.820 5.134 1.00 0.00 N ATOM 669 CA ALA A 57 3.577 -13.380 4.917 1.00 0.00 C ATOM 670 C ALA A 57 2.791 -13.226 3.612 1.00 0.00 C ATOM 671 O ALA A 57 2.977 -13.972 2.671 1.00 0.00 O ATOM 672 CB ALA A 57 4.873 -12.570 4.831 1.00 0.00 C ATOM 0 H ALA A 57 4.741 -15.148 4.646 1.00 0.00 H new ATOM 0 HA ALA A 57 2.973 -13.016 5.748 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.635 -11.518 4.673 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.433 -12.679 5.760 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.476 -12.935 3.999 1.00 0.00 H new ATOM 678 N VAL A 58 1.915 -12.256 3.551 1.00 0.00 N ATOM 679 CA VAL A 58 1.106 -12.026 2.313 1.00 0.00 C ATOM 680 C VAL A 58 1.079 -10.520 2.023 1.00 0.00 C ATOM 681 O VAL A 58 1.018 -9.716 2.932 1.00 0.00 O ATOM 682 CB VAL A 58 -0.320 -12.548 2.533 1.00 0.00 C ATOM 683 CG1 VAL A 58 -1.052 -11.665 3.551 1.00 0.00 C ATOM 684 CG2 VAL A 58 -1.078 -12.536 1.202 1.00 0.00 C ATOM 0 H VAL A 58 1.723 -11.606 4.313 1.00 0.00 H new ATOM 0 HA VAL A 58 1.546 -12.554 1.467 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.273 -13.567 2.917 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.063 -12.044 3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.515 -11.681 4.499 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.099 -10.642 3.178 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.091 -12.907 1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.119 -11.517 0.816 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.564 -13.175 0.485 1.00 0.00 H new ATOM 694 N GLU A 59 1.155 -10.131 0.771 1.00 0.00 N ATOM 695 CA GLU A 59 1.168 -8.669 0.427 1.00 0.00 C ATOM 696 C GLU A 59 0.136 -8.364 -0.659 1.00 0.00 C ATOM 697 O GLU A 59 -0.269 -9.231 -1.413 1.00 0.00 O ATOM 698 CB GLU A 59 2.561 -8.301 -0.092 1.00 0.00 C ATOM 699 CG GLU A 59 3.583 -8.490 1.030 1.00 0.00 C ATOM 700 CD GLU A 59 3.828 -9.984 1.258 1.00 0.00 C ATOM 701 OE1 GLU A 59 3.442 -10.768 0.407 1.00 0.00 O ATOM 702 OE2 GLU A 59 4.407 -10.319 2.278 1.00 0.00 O ATOM 0 H GLU A 59 1.209 -10.762 -0.029 1.00 0.00 H new ATOM 0 HA GLU A 59 0.923 -8.090 1.317 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.821 -8.927 -0.946 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.571 -7.268 -0.439 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.518 -7.994 0.771 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.220 -8.027 1.948 1.00 0.00 H new ATOM 709 N TYR A 60 -0.286 -7.121 -0.743 1.00 0.00 N ATOM 710 CA TYR A 60 -1.291 -6.708 -1.772 1.00 0.00 C ATOM 711 C TYR A 60 -0.747 -5.479 -2.501 1.00 0.00 C ATOM 712 O TYR A 60 -0.233 -4.568 -1.884 1.00 0.00 O ATOM 713 CB TYR A 60 -2.594 -6.316 -1.073 1.00 0.00 C ATOM 714 CG TYR A 60 -3.122 -7.486 -0.289 1.00 0.00 C ATOM 715 CD1 TYR A 60 -3.978 -8.408 -0.897 1.00 0.00 C ATOM 716 CD2 TYR A 60 -2.754 -7.648 1.051 1.00 0.00 C ATOM 717 CE1 TYR A 60 -4.467 -9.493 -0.165 1.00 0.00 C ATOM 718 CE2 TYR A 60 -3.241 -8.733 1.783 1.00 0.00 C ATOM 719 CZ TYR A 60 -4.099 -9.656 1.174 1.00 0.00 C ATOM 720 OH TYR A 60 -4.581 -10.725 1.892 1.00 0.00 O ATOM 0 H TYR A 60 0.030 -6.367 -0.132 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.474 -7.526 -2.469 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.421 -5.469 -0.409 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.331 -5.997 -1.810 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.261 -8.282 -1.932 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.093 -6.934 1.519 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.129 -10.206 -0.634 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.956 -8.860 2.817 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.046 -10.841 2.705 1.00 0.00 H new ATOM 730 N ASP A 61 -0.853 -5.428 -3.801 1.00 0.00 N ATOM 731 CA ASP A 61 -0.330 -4.228 -4.530 1.00 0.00 C ATOM 732 C ASP A 61 -1.413 -3.147 -4.559 1.00 0.00 C ATOM 733 O ASP A 61 -2.523 -3.383 -4.993 1.00 0.00 O ATOM 734 CB ASP A 61 0.045 -4.611 -5.962 1.00 0.00 C ATOM 735 CG ASP A 61 0.925 -3.515 -6.569 1.00 0.00 C ATOM 736 OD1 ASP A 61 0.897 -2.408 -6.056 1.00 0.00 O ATOM 737 OD2 ASP A 61 1.616 -3.802 -7.532 1.00 0.00 O ATOM 0 H ASP A 61 -1.272 -6.151 -4.386 1.00 0.00 H new ATOM 0 HA ASP A 61 0.556 -3.851 -4.018 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.575 -5.563 -5.968 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.855 -4.744 -6.562 1.00 0.00 H new ATOM 742 N VAL A 62 -1.108 -1.965 -4.095 1.00 0.00 N ATOM 743 CA VAL A 62 -2.123 -0.872 -4.087 1.00 0.00 C ATOM 744 C VAL A 62 -2.562 -0.527 -5.515 1.00 0.00 C ATOM 745 O VAL A 62 -3.680 -0.112 -5.745 1.00 0.00 O ATOM 746 CB VAL A 62 -1.507 0.367 -3.436 1.00 0.00 C ATOM 747 CG1 VAL A 62 -0.372 0.897 -4.316 1.00 0.00 C ATOM 748 CG2 VAL A 62 -2.581 1.446 -3.282 1.00 0.00 C ATOM 0 H VAL A 62 -0.195 -1.708 -3.719 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.997 -1.204 -3.527 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.111 0.104 -2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.067 1.780 -3.851 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.392 0.128 -4.427 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.766 1.161 -5.298 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.144 2.330 -2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.976 1.709 -4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.389 1.069 -2.655 1.00 0.00 H new ATOM 758 N MET A 63 -1.691 -0.677 -6.472 1.00 0.00 N ATOM 759 CA MET A 63 -2.056 -0.337 -7.879 1.00 0.00 C ATOM 760 C MET A 63 -3.028 -1.379 -8.442 1.00 0.00 C ATOM 761 O MET A 63 -3.179 -1.501 -9.642 1.00 0.00 O ATOM 762 CB MET A 63 -0.789 -0.320 -8.739 1.00 0.00 C ATOM 763 CG MET A 63 0.097 0.858 -8.332 1.00 0.00 C ATOM 764 SD MET A 63 -0.650 2.401 -8.913 1.00 0.00 S ATOM 765 CE MET A 63 0.375 3.529 -7.940 1.00 0.00 C ATOM 0 H MET A 63 -0.739 -1.021 -6.343 1.00 0.00 H new ATOM 0 HA MET A 63 -2.534 0.643 -7.894 1.00 0.00 H new ATOM 0 HB2 MET A 63 -0.244 -1.256 -8.618 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.055 -0.240 -9.793 1.00 0.00 H new ATOM 0 HG2 MET A 63 0.213 0.883 -7.248 1.00 0.00 H new ATOM 0 HG3 MET A 63 1.094 0.741 -8.757 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.080 4.558 -8.146 1.00 0.00 H new ATOM 0 HE2 MET A 63 0.241 3.319 -6.879 1.00 0.00 H new ATOM 0 HE3 MET A 63 1.423 3.391 -8.207 1.00 0.00 H new ATOM 775 N SER A 64 -3.673 -2.141 -7.590 1.00 0.00 N ATOM 776 CA SER A 64 -4.625 -3.195 -8.077 1.00 0.00 C ATOM 777 C SER A 64 -6.070 -2.868 -7.672 1.00 0.00 C ATOM 778 O SER A 64 -7.003 -3.201 -8.376 1.00 0.00 O ATOM 779 CB SER A 64 -4.224 -4.534 -7.460 1.00 0.00 C ATOM 780 OG SER A 64 -2.912 -4.871 -7.894 1.00 0.00 O ATOM 0 H SER A 64 -3.582 -2.079 -6.576 1.00 0.00 H new ATOM 0 HA SER A 64 -4.576 -3.237 -9.165 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.256 -4.472 -6.372 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.929 -5.311 -7.756 1.00 0.00 H new ATOM 0 HG SER A 64 -2.956 -5.632 -8.509 1.00 0.00 H new ATOM 786 N MET A 65 -6.275 -2.222 -6.553 1.00 0.00 N ATOM 787 CA MET A 65 -7.673 -1.888 -6.130 1.00 0.00 C ATOM 788 C MET A 65 -8.153 -0.623 -6.871 1.00 0.00 C ATOM 789 O MET A 65 -7.354 0.211 -7.246 1.00 0.00 O ATOM 790 CB MET A 65 -7.709 -1.650 -4.605 1.00 0.00 C ATOM 791 CG MET A 65 -6.345 -1.136 -4.117 1.00 0.00 C ATOM 792 SD MET A 65 -5.268 -2.553 -3.757 1.00 0.00 S ATOM 793 CE MET A 65 -5.073 -2.282 -1.975 1.00 0.00 C ATOM 0 H MET A 65 -5.541 -1.912 -5.916 1.00 0.00 H new ATOM 0 HA MET A 65 -8.334 -2.718 -6.379 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.487 -0.927 -4.360 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.962 -2.577 -4.091 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.889 -0.501 -4.877 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.472 -0.524 -3.224 1.00 0.00 H new ATOM 0 HE1 MET A 65 -4.635 -3.169 -1.518 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.419 -1.427 -1.806 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.048 -2.087 -1.528 1.00 0.00 H new ATOM 803 N PRO A 66 -9.450 -0.465 -7.065 1.00 0.00 N ATOM 804 CA PRO A 66 -10.015 0.738 -7.747 1.00 0.00 C ATOM 805 C PRO A 66 -9.326 2.032 -7.293 1.00 0.00 C ATOM 806 O PRO A 66 -8.547 2.033 -6.364 1.00 0.00 O ATOM 807 CB PRO A 66 -11.485 0.733 -7.317 1.00 0.00 C ATOM 808 CG PRO A 66 -11.821 -0.711 -7.100 1.00 0.00 C ATOM 809 CD PRO A 66 -10.517 -1.407 -6.666 1.00 0.00 C ATOM 0 HA PRO A 66 -9.876 0.702 -8.828 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.632 1.313 -6.406 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.122 1.176 -8.083 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.590 -0.819 -6.336 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -12.214 -1.159 -8.013 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.503 -1.592 -5.592 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -10.399 -2.373 -7.157 1.00 0.00 H new ATOM 817 N THR A 67 -9.611 3.132 -7.936 1.00 0.00 N ATOM 818 CA THR A 67 -8.975 4.421 -7.543 1.00 0.00 C ATOM 819 C THR A 67 -9.475 4.867 -6.161 1.00 0.00 C ATOM 820 O THR A 67 -8.814 5.613 -5.467 1.00 0.00 O ATOM 821 CB THR A 67 -9.338 5.488 -8.577 1.00 0.00 C ATOM 822 OG1 THR A 67 -10.752 5.609 -8.652 1.00 0.00 O ATOM 823 CG2 THR A 67 -8.782 5.091 -9.945 1.00 0.00 C ATOM 0 H THR A 67 -10.260 3.193 -8.720 1.00 0.00 H new ATOM 0 HA THR A 67 -7.894 4.287 -7.499 1.00 0.00 H new ATOM 0 HB THR A 67 -8.906 6.444 -8.280 1.00 0.00 H new ATOM 0 HG1 THR A 67 -10.987 6.293 -9.313 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.043 5.854 -10.679 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.697 5.001 -9.885 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.209 4.135 -10.248 1.00 0.00 H new ATOM 831 N LYS A 68 -10.646 4.441 -5.771 1.00 0.00 N ATOM 832 CA LYS A 68 -11.198 4.872 -4.449 1.00 0.00 C ATOM 833 C LYS A 68 -10.267 4.438 -3.310 1.00 0.00 C ATOM 834 O LYS A 68 -10.054 5.171 -2.366 1.00 0.00 O ATOM 835 CB LYS A 68 -12.584 4.239 -4.243 1.00 0.00 C ATOM 836 CG LYS A 68 -13.635 4.951 -5.112 1.00 0.00 C ATOM 837 CD LYS A 68 -13.448 4.577 -6.588 1.00 0.00 C ATOM 838 CE LYS A 68 -14.694 4.979 -7.382 1.00 0.00 C ATOM 839 NZ LYS A 68 -14.954 6.436 -7.198 1.00 0.00 N ATOM 0 H LYS A 68 -11.245 3.814 -6.308 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.280 5.959 -4.441 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.549 3.180 -4.499 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.868 4.304 -3.193 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -14.637 4.673 -4.784 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.547 6.031 -4.989 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.569 5.079 -6.992 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.274 3.505 -6.683 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.552 4.755 -8.439 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.554 4.400 -7.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.641 6.758 -7.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.337 6.603 -6.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.065 6.964 -7.311 1.00 0.00 H new ATOM 853 N GLU A 69 -9.711 3.260 -3.378 1.00 0.00 N ATOM 854 CA GLU A 69 -8.801 2.810 -2.283 1.00 0.00 C ATOM 855 C GLU A 69 -7.561 3.709 -2.222 1.00 0.00 C ATOM 856 O GLU A 69 -7.070 4.025 -1.156 1.00 0.00 O ATOM 857 CB GLU A 69 -8.377 1.354 -2.516 1.00 0.00 C ATOM 858 CG GLU A 69 -9.569 0.415 -2.279 1.00 0.00 C ATOM 859 CD GLU A 69 -10.539 0.498 -3.459 1.00 0.00 C ATOM 860 OE1 GLU A 69 -10.180 1.100 -4.458 1.00 0.00 O ATOM 861 OE2 GLU A 69 -11.628 -0.041 -3.344 1.00 0.00 O ATOM 0 H GLU A 69 -9.845 2.593 -4.138 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.335 2.879 -1.335 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.005 1.233 -3.534 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.559 1.093 -1.845 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.218 -0.610 -2.157 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.081 0.688 -1.356 1.00 0.00 H new ATOM 868 N ARG A 70 -7.042 4.117 -3.346 1.00 0.00 N ATOM 869 CA ARG A 70 -5.826 4.986 -3.334 1.00 0.00 C ATOM 870 C ARG A 70 -6.121 6.284 -2.576 1.00 0.00 C ATOM 871 O ARG A 70 -5.326 6.738 -1.778 1.00 0.00 O ATOM 872 CB ARG A 70 -5.432 5.337 -4.773 1.00 0.00 C ATOM 873 CG ARG A 70 -4.770 4.130 -5.448 1.00 0.00 C ATOM 874 CD ARG A 70 -5.764 2.968 -5.534 1.00 0.00 C ATOM 875 NE ARG A 70 -5.316 1.991 -6.582 1.00 0.00 N ATOM 876 CZ ARG A 70 -5.212 2.334 -7.837 1.00 0.00 C ATOM 877 NH1 ARG A 70 -5.616 3.509 -8.236 1.00 0.00 N ATOM 878 NH2 ARG A 70 -4.740 1.482 -8.707 1.00 0.00 N ATOM 0 H ARG A 70 -7.404 3.889 -4.272 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.014 4.449 -2.844 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.315 5.640 -5.336 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.747 6.185 -4.774 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.430 4.403 -6.447 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.889 3.825 -4.883 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.839 2.469 -4.568 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.758 3.345 -5.776 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.087 1.036 -6.307 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.016 4.166 -7.566 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.532 3.771 -9.218 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.454 0.551 -8.405 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.658 1.748 -9.688 1.00 0.00 H new ATOM 892 N GLU A 71 -7.248 6.890 -2.826 1.00 0.00 N ATOM 893 CA GLU A 71 -7.577 8.165 -2.129 1.00 0.00 C ATOM 894 C GLU A 71 -7.620 7.935 -0.617 1.00 0.00 C ATOM 895 O GLU A 71 -7.068 8.696 0.155 1.00 0.00 O ATOM 896 CB GLU A 71 -8.941 8.661 -2.612 1.00 0.00 C ATOM 897 CG GLU A 71 -8.822 9.132 -4.063 1.00 0.00 C ATOM 898 CD GLU A 71 -10.197 9.564 -4.578 1.00 0.00 C ATOM 899 OE1 GLU A 71 -10.960 8.698 -4.972 1.00 0.00 O ATOM 900 OE2 GLU A 71 -10.462 10.755 -4.571 1.00 0.00 O ATOM 0 H GLU A 71 -7.955 6.558 -3.482 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.813 8.910 -2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.679 7.863 -2.536 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -9.289 9.478 -1.980 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.120 9.963 -4.129 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.425 8.329 -4.685 1.00 0.00 H new ATOM 907 N GLN A 72 -8.285 6.899 -0.189 1.00 0.00 N ATOM 908 CA GLN A 72 -8.385 6.620 1.271 1.00 0.00 C ATOM 909 C GLN A 72 -7.020 6.183 1.818 1.00 0.00 C ATOM 910 O GLN A 72 -6.629 6.564 2.904 1.00 0.00 O ATOM 911 CB GLN A 72 -9.423 5.520 1.500 1.00 0.00 C ATOM 912 CG GLN A 72 -10.778 5.997 0.971 1.00 0.00 C ATOM 913 CD GLN A 72 -11.830 4.909 1.189 1.00 0.00 C ATOM 914 OE1 GLN A 72 -11.759 4.164 2.144 1.00 0.00 O ATOM 915 NE2 GLN A 72 -12.810 4.784 0.336 1.00 0.00 N ATOM 0 H GLN A 72 -8.766 6.230 -0.790 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.693 7.524 1.796 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -9.121 4.605 0.991 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.495 5.285 2.562 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -11.077 6.912 1.482 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.702 6.235 -0.090 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -12.870 5.410 -0.467 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -13.516 4.060 0.472 1.00 0.00 H new ATOM 924 N VAL A 73 -6.287 5.394 1.078 1.00 0.00 N ATOM 925 CA VAL A 73 -4.948 4.946 1.566 1.00 0.00 C ATOM 926 C VAL A 73 -3.994 6.145 1.599 1.00 0.00 C ATOM 927 O VAL A 73 -3.311 6.384 2.578 1.00 0.00 O ATOM 928 CB VAL A 73 -4.406 3.865 0.621 1.00 0.00 C ATOM 929 CG1 VAL A 73 -2.925 3.596 0.913 1.00 0.00 C ATOM 930 CG2 VAL A 73 -5.201 2.575 0.835 1.00 0.00 C ATOM 0 H VAL A 73 -6.556 5.041 0.160 1.00 0.00 H new ATOM 0 HA VAL A 73 -5.035 4.534 2.571 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.508 4.207 -0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.554 2.827 0.235 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.353 4.513 0.769 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.813 3.256 1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.824 1.800 0.168 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.092 2.248 1.869 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.254 2.757 0.621 1.00 0.00 H new ATOM 940 N ILE A 74 -3.954 6.912 0.548 1.00 0.00 N ATOM 941 CA ILE A 74 -3.058 8.099 0.542 1.00 0.00 C ATOM 942 C ILE A 74 -3.472 9.025 1.685 1.00 0.00 C ATOM 943 O ILE A 74 -2.642 9.590 2.369 1.00 0.00 O ATOM 944 CB ILE A 74 -3.163 8.824 -0.808 1.00 0.00 C ATOM 945 CG1 ILE A 74 -2.499 7.971 -1.915 1.00 0.00 C ATOM 946 CG2 ILE A 74 -2.489 10.199 -0.721 1.00 0.00 C ATOM 947 CD1 ILE A 74 -0.971 8.174 -1.939 1.00 0.00 C ATOM 0 H ILE A 74 -4.499 6.770 -0.302 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.022 7.791 0.682 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.215 8.966 -1.055 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -2.725 6.918 -1.750 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.919 8.239 -2.885 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.569 10.705 -1.683 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.981 10.798 0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.437 10.073 -0.464 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.535 7.561 -2.728 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.746 9.224 -2.129 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.550 7.881 -0.977 1.00 0.00 H new ATOM 959 N ALA A 75 -4.749 9.178 1.907 1.00 0.00 N ATOM 960 CA ALA A 75 -5.204 10.057 3.018 1.00 0.00 C ATOM 961 C ALA A 75 -4.631 9.522 4.331 1.00 0.00 C ATOM 962 O ALA A 75 -4.409 10.260 5.271 1.00 0.00 O ATOM 963 CB ALA A 75 -6.732 10.060 3.086 1.00 0.00 C ATOM 0 H ALA A 75 -5.493 8.734 1.369 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.858 11.077 2.848 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.059 10.705 3.901 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.137 10.431 2.145 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.090 9.045 3.260 1.00 0.00 H new ATOM 969 N HIS A 76 -4.374 8.241 4.400 1.00 0.00 N ATOM 970 CA HIS A 76 -3.800 7.674 5.649 1.00 0.00 C ATOM 971 C HIS A 76 -2.438 8.320 5.880 1.00 0.00 C ATOM 972 O HIS A 76 -2.095 8.699 6.981 1.00 0.00 O ATOM 973 CB HIS A 76 -3.630 6.159 5.503 1.00 0.00 C ATOM 974 CG HIS A 76 -3.345 5.553 6.851 1.00 0.00 C ATOM 975 ND1 HIS A 76 -4.214 4.659 7.456 1.00 0.00 N ATOM 976 CD2 HIS A 76 -2.295 5.705 7.723 1.00 0.00 C ATOM 977 CE1 HIS A 76 -3.676 4.310 8.640 1.00 0.00 C ATOM 978 NE2 HIS A 76 -2.507 4.918 8.853 1.00 0.00 N ATOM 0 H HIS A 76 -4.537 7.570 3.649 1.00 0.00 H new ATOM 0 HA HIS A 76 -4.464 7.872 6.491 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.533 5.720 5.079 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -2.815 5.939 4.814 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -1.436 6.338 7.558 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -4.135 3.621 9.334 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -1.900 4.826 9.667 1.00 0.00 H new ATOM 986 N LEU A 77 -1.663 8.466 4.838 1.00 0.00 N ATOM 987 CA LEU A 77 -0.331 9.108 4.992 1.00 0.00 C ATOM 988 C LEU A 77 -0.532 10.558 5.432 1.00 0.00 C ATOM 989 O LEU A 77 0.184 11.069 6.269 1.00 0.00 O ATOM 990 CB LEU A 77 0.414 9.074 3.652 1.00 0.00 C ATOM 991 CG LEU A 77 0.957 7.661 3.353 1.00 0.00 C ATOM 992 CD1 LEU A 77 2.204 7.368 4.203 1.00 0.00 C ATOM 993 CD2 LEU A 77 -0.115 6.600 3.640 1.00 0.00 C ATOM 0 H LEU A 77 -1.896 8.168 3.891 1.00 0.00 H new ATOM 0 HA LEU A 77 0.255 8.572 5.739 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.257 9.386 2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.238 9.787 3.673 1.00 0.00 H new ATOM 0 HG LEU A 77 1.227 7.622 2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.571 6.367 3.977 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.980 8.099 3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.946 7.430 5.260 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.286 5.610 3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.407 6.652 4.689 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.986 6.784 3.012 1.00 0.00 H new ATOM 1005 N GLY A 78 -1.512 11.221 4.881 1.00 0.00 N ATOM 1006 CA GLY A 78 -1.768 12.634 5.276 1.00 0.00 C ATOM 1007 C GLY A 78 -1.878 12.704 6.798 1.00 0.00 C ATOM 1008 O GLY A 78 -1.560 13.702 7.412 1.00 0.00 O ATOM 0 H GLY A 78 -2.145 10.845 4.175 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.960 13.277 4.925 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.687 12.995 4.814 1.00 0.00 H new ATOM 1012 N LEU A 79 -2.320 11.639 7.409 1.00 0.00 N ATOM 1013 CA LEU A 79 -2.447 11.614 8.894 1.00 0.00 C ATOM 1014 C LEU A 79 -1.110 11.181 9.485 1.00 0.00 C ATOM 1015 O LEU A 79 -0.374 11.977 10.035 1.00 0.00 O ATOM 1016 CB LEU A 79 -3.538 10.606 9.283 1.00 0.00 C ATOM 1017 CG LEU A 79 -3.505 10.322 10.790 1.00 0.00 C ATOM 1018 CD1 LEU A 79 -3.573 11.636 11.573 1.00 0.00 C ATOM 1019 CD2 LEU A 79 -4.707 9.449 11.156 1.00 0.00 C ATOM 0 H LEU A 79 -2.601 10.778 6.939 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.716 12.600 9.273 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.517 10.996 9.003 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.395 9.677 8.730 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.578 9.807 11.042 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.549 11.424 12.642 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.721 12.262 11.308 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.498 12.159 11.327 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.693 9.241 12.226 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.628 9.972 10.900 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.657 8.511 10.603 1.00 0.00 H new ATOM 1031 N SER A 80 -0.788 9.926 9.370 1.00 0.00 N ATOM 1032 CA SER A 80 0.504 9.443 9.916 1.00 0.00 C ATOM 1033 C SER A 80 1.634 10.260 9.294 1.00 0.00 C ATOM 1034 O SER A 80 1.432 10.991 8.344 1.00 0.00 O ATOM 1035 CB SER A 80 0.682 7.965 9.567 1.00 0.00 C ATOM 1036 OG SER A 80 1.858 7.473 10.197 1.00 0.00 O ATOM 0 H SER A 80 -1.365 9.214 8.921 1.00 0.00 H new ATOM 0 HA SER A 80 0.520 9.557 11.000 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.187 7.394 9.896 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.755 7.841 8.487 1.00 0.00 H new ATOM 0 HG SER A 80 1.975 6.525 9.977 1.00 0.00 H new ATOM 1042 N THR A 81 2.821 10.146 9.817 1.00 0.00 N ATOM 1043 CA THR A 81 3.965 10.915 9.258 1.00 0.00 C ATOM 1044 C THR A 81 3.545 12.375 9.049 1.00 0.00 C ATOM 1045 O THR A 81 3.521 13.163 9.974 1.00 0.00 O ATOM 1046 CB THR A 81 4.422 10.299 7.913 1.00 0.00 C ATOM 1047 OG1 THR A 81 4.042 11.150 6.840 1.00 0.00 O ATOM 1048 CG2 THR A 81 3.794 8.913 7.697 1.00 0.00 C ATOM 0 H THR A 81 3.049 9.550 10.612 1.00 0.00 H new ATOM 0 HA THR A 81 4.798 10.874 9.959 1.00 0.00 H new ATOM 0 HB THR A 81 5.506 10.193 7.943 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.335 10.757 5.991 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.133 8.505 6.745 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.096 8.247 8.505 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.708 9.003 7.687 1.00 0.00 H new TER 1056 THR A 81