USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 965 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 47 HIS : no HE2:sc= 0.258 K(o=0.22,f=-1.3) USER MOD Set 1.2: A 69 MET CE :methyl -105:sc= -0.0411 (180deg=-0.0758) USER MOD Set 2.1: A 12 THR OG1 : rot 72:sc= 0.79 USER MOD Set 2.2: A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -167:sc=-0.00798 (180deg=-0.207) USER MOD Single : A 1 MET N :NH3+ -166:sc=-0.00688 (180deg=-0.27) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 GLN : amide:sc= 0.414 K(o=0.41,f=-6.8!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -156:sc= -0.41 (180deg=-1.54!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.0749 K(o=-0.075,f=0.49) USER MOD Single : A 23 ASN : amide:sc= -0.742 K(o=-0.74,f=-2.2) USER MOD Single : A 27 LYS NZ :NH3+ -143:sc= -0.898 (180deg=-3.09!) USER MOD Single : A 31 LYS NZ :NH3+ -106:sc= 0.549 (180deg=-0.0151) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 36 MET CE :methyl -130:sc= -2.35! (180deg=-4.51!) USER MOD Single : A 38 TYR OH : rot 51:sc= 0.126 USER MOD Single : A 40 ASN : amide:sc= 0.245 K(o=0.25,f=-3.1!) USER MOD Single : A 41 LYS NZ :NH3+ 156:sc= -0.0443 (180deg=-0.417) USER MOD Single : A 43 TYR OH : rot -149:sc= -0.161 USER MOD Single : A 48 THR OG1 : rot 72:sc= 0.0172 USER MOD Single : A 49 MET CE :methyl 176:sc= -1.33 (180deg=-1.46) USER MOD Single : A 50 LYS NZ :NH3+ -128:sc= 0.00681 (180deg=-0.17) USER MOD Single : A 53 THR OG1 : rot -90:sc= -3.63! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 67 THR OG1 : rot -61:sc= 1.14 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -142:sc= -1.36 (180deg=-2.37) USER MOD Single : A 77 ASN : amide:sc= -1.99 K(o=-2,f=-12!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 136:sc= -0.504 (180deg=-2.21!) USER MOD Single : A 92 LYS NZ :NH3+ 168:sc= -0.0285 (180deg=-0.181) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 76:sc= 0.0269 USER MOD Single : A 103 LYS NZ :NH3+ 143:sc= 1.03 (180deg=0.152) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 160:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0.00217 USER MOD Single : A 109 TYR OH : rot -141:sc= 0.208 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.106 9.740 25.715 1.00 45.41 N ATOM 2 CA MET A 1 -16.558 8.324 25.649 1.00 44.03 C ATOM 3 C MET A 1 -15.492 7.447 24.949 1.00 33.34 C ATOM 4 O MET A 1 -15.031 6.446 25.509 1.00 22.41 O ATOM 5 CB MET A 1 -17.934 8.236 24.929 1.00 25.04 C ATOM 6 CG MET A 1 -19.061 9.030 25.620 1.00 2.30 C ATOM 7 SD MET A 1 -20.631 8.965 24.725 1.00 64.30 S ATOM 8 CE MET A 1 -20.259 9.898 23.237 1.00 11.23 C ATOM 0 H1 MET A 1 -16.705 10.265 26.384 1.00 45.41 H new ATOM 0 H2 MET A 1 -15.117 9.774 26.036 1.00 45.41 H new ATOM 0 H3 MET A 1 -16.179 10.172 24.772 1.00 45.41 H new ATOM 0 HA MET A 1 -16.684 7.942 26.662 1.00 44.03 H new ATOM 0 HB2 MET A 1 -17.821 8.601 23.908 1.00 25.04 H new ATOM 0 HB3 MET A 1 -18.230 7.189 24.863 1.00 25.04 H new ATOM 0 HG2 MET A 1 -19.208 8.639 26.627 1.00 2.30 H new ATOM 0 HG3 MET A 1 -18.752 10.070 25.724 1.00 2.30 H new ATOM 0 HE1 MET A 1 -21.186 10.132 22.713 1.00 11.23 H new ATOM 0 HE2 MET A 1 -19.750 10.824 23.506 1.00 11.23 H new ATOM 0 HE3 MET A 1 -19.615 9.305 22.587 1.00 11.23 H new ATOM 20 N GLY A 2 -15.102 7.847 23.720 1.00 34.42 N ATOM 21 CA GLY A 2 -14.010 7.191 22.977 1.00 30.11 C ATOM 22 C GLY A 2 -14.438 5.955 22.167 1.00 43.44 C ATOM 23 O GLY A 2 -15.353 5.220 22.569 1.00 62.12 O ATOM 0 H GLY A 2 -15.531 8.626 23.221 1.00 34.42 H new ATOM 0 HA2 GLY A 2 -13.563 7.917 22.298 1.00 30.11 H new ATOM 0 HA3 GLY A 2 -13.234 6.895 23.683 1.00 30.11 H new ATOM 27 N SER A 3 -13.768 5.731 21.016 1.00 13.22 N ATOM 28 CA SER A 3 -14.000 4.540 20.162 1.00 4.11 C ATOM 29 C SER A 3 -13.432 3.272 20.835 1.00 32.42 C ATOM 30 O SER A 3 -12.310 3.286 21.354 1.00 50.25 O ATOM 31 CB SER A 3 -13.373 4.734 18.757 1.00 12.32 C ATOM 32 OG SER A 3 -11.958 4.928 18.809 1.00 45.13 O ATOM 0 H SER A 3 -13.056 6.364 20.652 1.00 13.22 H new ATOM 0 HA SER A 3 -15.076 4.417 20.040 1.00 4.11 H new ATOM 0 HB2 SER A 3 -13.594 3.862 18.141 1.00 12.32 H new ATOM 0 HB3 SER A 3 -13.836 5.593 18.272 1.00 12.32 H new ATOM 0 HG SER A 3 -11.610 5.044 17.900 1.00 45.13 H new ATOM 38 N HIS A 4 -14.213 2.184 20.815 1.00 25.33 N ATOM 39 CA HIS A 4 -13.895 0.944 21.562 1.00 51.25 C ATOM 40 C HIS A 4 -12.750 0.117 20.920 1.00 73.43 C ATOM 41 O HIS A 4 -12.407 0.290 19.744 1.00 62.14 O ATOM 42 CB HIS A 4 -15.178 0.095 21.720 1.00 41.33 C ATOM 43 CG HIS A 4 -16.210 0.738 22.617 1.00 30.35 C ATOM 44 ND1 HIS A 4 -16.289 0.485 23.970 1.00 73.53 N ATOM 45 CD2 HIS A 4 -17.174 1.659 22.359 1.00 3.40 C ATOM 46 CE1 HIS A 4 -17.249 1.211 24.499 1.00 42.01 C ATOM 47 NE2 HIS A 4 -17.801 1.933 23.548 1.00 23.22 N ATOM 0 H HIS A 4 -15.082 2.131 20.284 1.00 25.33 H new ATOM 0 HA HIS A 4 -13.526 1.239 22.544 1.00 51.25 H new ATOM 0 HB2 HIS A 4 -15.616 -0.076 20.737 1.00 41.33 H new ATOM 0 HB3 HIS A 4 -14.912 -0.882 22.125 1.00 41.33 H new ATOM 0 HD2 HIS A 4 -17.404 2.094 21.398 1.00 3.40 H new ATOM 0 HE1 HIS A 4 -17.536 1.214 25.540 1.00 42.01 H new ATOM 0 HE2 HIS A 4 -18.571 2.590 23.674 1.00 23.22 H new ATOM 56 N GLN A 5 -12.189 -0.804 21.727 1.00 13.24 N ATOM 57 CA GLN A 5 -11.019 -1.628 21.351 1.00 3.14 C ATOM 58 C GLN A 5 -11.357 -2.602 20.198 1.00 44.34 C ATOM 59 O GLN A 5 -10.544 -2.807 19.297 1.00 31.20 O ATOM 60 CB GLN A 5 -10.472 -2.421 22.587 1.00 12.44 C ATOM 61 CG GLN A 5 -9.796 -1.560 23.699 1.00 53.04 C ATOM 62 CD GLN A 5 -10.752 -0.917 24.726 1.00 35.33 C ATOM 63 OE1 GLN A 5 -11.901 -0.613 24.448 1.00 25.52 O ATOM 64 NE2 GLN A 5 -10.267 -0.693 25.934 1.00 31.10 N ATOM 0 H GLN A 5 -12.536 -1.000 22.666 1.00 13.24 H new ATOM 0 HA GLN A 5 -10.243 -0.947 21.001 1.00 3.14 H new ATOM 0 HB2 GLN A 5 -11.297 -2.975 23.034 1.00 12.44 H new ATOM 0 HB3 GLN A 5 -9.749 -3.156 22.233 1.00 12.44 H new ATOM 0 HG2 GLN A 5 -9.085 -2.188 24.236 1.00 53.04 H new ATOM 0 HG3 GLN A 5 -9.222 -0.767 23.219 1.00 53.04 H new ATOM 0 HE21 GLN A 5 -9.305 -0.952 26.153 1.00 31.10 H new ATOM 0 HE22 GLN A 5 -10.854 -0.261 26.647 1.00 31.10 H new ATOM 73 N GLU A 6 -12.572 -3.178 20.236 1.00 33.43 N ATOM 74 CA GLU A 6 -13.048 -4.135 19.205 1.00 22.43 C ATOM 75 C GLU A 6 -13.210 -3.468 17.816 1.00 1.13 C ATOM 76 O GLU A 6 -12.981 -4.114 16.792 1.00 15.12 O ATOM 77 CB GLU A 6 -14.365 -4.803 19.676 1.00 72.31 C ATOM 78 CG GLU A 6 -14.178 -5.699 20.923 1.00 3.44 C ATOM 79 CD GLU A 6 -15.483 -6.314 21.462 1.00 34.45 C ATOM 80 OE1 GLU A 6 -15.930 -7.356 20.934 1.00 64.24 O ATOM 81 OE2 GLU A 6 -16.058 -5.765 22.430 1.00 61.22 O ATOM 0 H GLU A 6 -13.252 -2.999 20.975 1.00 33.43 H new ATOM 0 HA GLU A 6 -12.288 -4.907 19.083 1.00 22.43 H new ATOM 0 HB2 GLU A 6 -15.099 -4.028 19.899 1.00 72.31 H new ATOM 0 HB3 GLU A 6 -14.772 -5.403 18.862 1.00 72.31 H new ATOM 0 HG2 GLU A 6 -13.485 -6.504 20.677 1.00 3.44 H new ATOM 0 HG3 GLU A 6 -13.714 -5.109 21.714 1.00 3.44 H new ATOM 88 N TYR A 7 -13.580 -2.170 17.803 1.00 50.11 N ATOM 89 CA TYR A 7 -13.605 -1.351 16.566 1.00 24.40 C ATOM 90 C TYR A 7 -12.192 -1.267 15.933 1.00 72.13 C ATOM 91 O TYR A 7 -12.029 -1.467 14.730 1.00 61.30 O ATOM 92 CB TYR A 7 -14.152 0.072 16.878 1.00 25.41 C ATOM 93 CG TYR A 7 -14.205 1.044 15.677 1.00 20.02 C ATOM 94 CD1 TYR A 7 -14.951 0.741 14.534 1.00 43.21 C ATOM 95 CD2 TYR A 7 -13.523 2.265 15.697 1.00 24.52 C ATOM 96 CE1 TYR A 7 -15.008 1.614 13.460 1.00 35.12 C ATOM 97 CE2 TYR A 7 -13.578 3.138 14.624 1.00 30.15 C ATOM 98 CZ TYR A 7 -14.323 2.810 13.511 1.00 32.45 C ATOM 99 OH TYR A 7 -14.382 3.681 12.440 1.00 20.23 O ATOM 0 H TYR A 7 -13.868 -1.662 18.639 1.00 50.11 H new ATOM 0 HA TYR A 7 -14.268 -1.830 15.846 1.00 24.40 H new ATOM 0 HB2 TYR A 7 -15.157 -0.026 17.288 1.00 25.41 H new ATOM 0 HB3 TYR A 7 -13.533 0.518 17.656 1.00 25.41 H new ATOM 0 HD1 TYR A 7 -15.493 -0.192 14.488 1.00 43.21 H new ATOM 0 HD2 TYR A 7 -12.942 2.532 16.567 1.00 24.52 H new ATOM 0 HE1 TYR A 7 -15.587 1.359 12.585 1.00 35.12 H new ATOM 0 HE2 TYR A 7 -13.039 4.073 14.659 1.00 30.15 H new ATOM 0 HH TYR A 7 -13.846 4.477 12.636 1.00 20.23 H new ATOM 109 N ILE A 8 -11.182 -1.010 16.782 1.00 75.22 N ATOM 110 CA ILE A 8 -9.757 -0.906 16.376 1.00 54.12 C ATOM 111 C ILE A 8 -9.222 -2.257 15.816 1.00 52.03 C ATOM 112 O ILE A 8 -8.483 -2.283 14.823 1.00 20.44 O ATOM 113 CB ILE A 8 -8.878 -0.431 17.599 1.00 40.21 C ATOM 114 CG1 ILE A 8 -9.412 0.941 18.146 1.00 72.14 C ATOM 115 CG2 ILE A 8 -7.369 -0.349 17.233 1.00 5.44 C ATOM 116 CD1 ILE A 8 -8.754 1.436 19.427 1.00 0.04 C ATOM 0 H ILE A 8 -11.327 -0.866 17.781 1.00 75.22 H new ATOM 0 HA ILE A 8 -9.688 -0.167 15.578 1.00 54.12 H new ATOM 0 HB ILE A 8 -8.966 -1.177 18.388 1.00 40.21 H new ATOM 0 HG12 ILE A 8 -9.277 1.698 17.373 1.00 72.14 H new ATOM 0 HG13 ILE A 8 -10.484 0.850 18.320 1.00 72.14 H new ATOM 0 HG21 ILE A 8 -6.801 -0.018 18.103 1.00 5.44 H new ATOM 0 HG22 ILE A 8 -7.016 -1.332 16.922 1.00 5.44 H new ATOM 0 HG23 ILE A 8 -7.230 0.361 16.418 1.00 5.44 H new ATOM 0 HD11 ILE A 8 -9.195 2.389 19.718 1.00 0.04 H new ATOM 0 HD12 ILE A 8 -8.910 0.706 20.222 1.00 0.04 H new ATOM 0 HD13 ILE A 8 -7.685 1.567 19.260 1.00 0.04 H new ATOM 128 N LYS A 9 -9.627 -3.368 16.467 1.00 5.12 N ATOM 129 CA LYS A 9 -9.282 -4.749 16.035 1.00 41.02 C ATOM 130 C LYS A 9 -9.842 -5.049 14.615 1.00 12.43 C ATOM 131 O LYS A 9 -9.175 -5.694 13.791 1.00 14.51 O ATOM 132 CB LYS A 9 -9.841 -5.780 17.061 1.00 32.42 C ATOM 133 CG LYS A 9 -9.280 -5.637 18.501 1.00 11.51 C ATOM 134 CD LYS A 9 -9.987 -6.556 19.541 1.00 33.24 C ATOM 135 CE LYS A 9 -9.778 -8.058 19.276 1.00 34.13 C ATOM 136 NZ LYS A 9 -10.419 -8.908 20.321 1.00 31.11 N ATOM 0 H LYS A 9 -10.203 -3.338 17.308 1.00 5.12 H new ATOM 0 HA LYS A 9 -8.196 -4.833 15.994 1.00 41.02 H new ATOM 0 HB2 LYS A 9 -10.926 -5.683 17.098 1.00 32.42 H new ATOM 0 HB3 LYS A 9 -9.623 -6.785 16.700 1.00 32.42 H new ATOM 0 HG2 LYS A 9 -8.215 -5.867 18.491 1.00 11.51 H new ATOM 0 HG3 LYS A 9 -9.379 -4.599 18.819 1.00 11.51 H new ATOM 0 HD2 LYS A 9 -9.616 -6.316 20.537 1.00 33.24 H new ATOM 0 HD3 LYS A 9 -11.055 -6.340 19.538 1.00 33.24 H new ATOM 0 HE2 LYS A 9 -10.189 -8.314 18.299 1.00 34.13 H new ATOM 0 HE3 LYS A 9 -8.710 -8.274 19.239 1.00 34.13 H new ATOM 0 HZ1 LYS A 9 -10.253 -9.911 20.102 1.00 31.11 H new ATOM 0 HZ2 LYS A 9 -10.009 -8.684 21.250 1.00 31.11 H new ATOM 0 HZ3 LYS A 9 -11.442 -8.723 20.340 1.00 31.11 H new ATOM 150 N LYS A 10 -11.068 -4.555 14.349 1.00 15.53 N ATOM 151 CA LYS A 10 -11.734 -4.703 13.039 1.00 62.11 C ATOM 152 C LYS A 10 -11.032 -3.871 11.939 1.00 44.03 C ATOM 153 O LYS A 10 -10.762 -4.395 10.869 1.00 15.42 O ATOM 154 CB LYS A 10 -13.230 -4.313 13.145 1.00 74.33 C ATOM 155 CG LYS A 10 -14.069 -5.258 14.039 1.00 54.15 C ATOM 156 CD LYS A 10 -15.543 -4.820 14.149 1.00 60.50 C ATOM 157 CE LYS A 10 -16.369 -5.722 15.079 1.00 35.32 C ATOM 158 NZ LYS A 10 -17.792 -5.288 15.145 1.00 51.24 N ATOM 0 H LYS A 10 -11.623 -4.043 15.035 1.00 15.53 H new ATOM 0 HA LYS A 10 -11.662 -5.752 12.751 1.00 62.11 H new ATOM 0 HB2 LYS A 10 -13.303 -3.299 13.538 1.00 74.33 H new ATOM 0 HB3 LYS A 10 -13.662 -4.299 12.144 1.00 74.33 H new ATOM 0 HG2 LYS A 10 -14.024 -6.269 13.634 1.00 54.15 H new ATOM 0 HG3 LYS A 10 -13.629 -5.294 15.036 1.00 54.15 H new ATOM 0 HD2 LYS A 10 -15.585 -3.794 14.515 1.00 60.50 H new ATOM 0 HD3 LYS A 10 -15.992 -4.823 13.156 1.00 60.50 H new ATOM 0 HE2 LYS A 10 -16.319 -6.752 14.726 1.00 35.32 H new ATOM 0 HE3 LYS A 10 -15.937 -5.706 16.080 1.00 35.32 H new ATOM 0 HZ1 LYS A 10 -18.318 -5.920 15.782 1.00 51.24 H new ATOM 0 HZ2 LYS A 10 -17.841 -4.314 15.505 1.00 51.24 H new ATOM 0 HZ3 LYS A 10 -18.211 -5.327 14.194 1.00 51.24 H new ATOM 172 N VAL A 11 -10.731 -2.581 12.231 1.00 2.04 N ATOM 173 CA VAL A 11 -9.980 -1.673 11.308 1.00 35.24 C ATOM 174 C VAL A 11 -8.596 -2.271 10.912 1.00 1.14 C ATOM 175 O VAL A 11 -8.149 -2.138 9.762 1.00 14.03 O ATOM 176 CB VAL A 11 -9.794 -0.231 11.947 1.00 31.52 C ATOM 177 CG1 VAL A 11 -8.968 0.717 11.037 1.00 34.31 C ATOM 178 CG2 VAL A 11 -11.166 0.406 12.291 1.00 62.35 C ATOM 0 H VAL A 11 -10.998 -2.135 13.109 1.00 2.04 H new ATOM 0 HA VAL A 11 -10.577 -1.575 10.401 1.00 35.24 H new ATOM 0 HB VAL A 11 -9.229 -0.367 12.869 1.00 31.52 H new ATOM 0 HG11 VAL A 11 -8.870 1.690 11.519 1.00 34.31 H new ATOM 0 HG12 VAL A 11 -7.978 0.292 10.872 1.00 34.31 H new ATOM 0 HG13 VAL A 11 -9.476 0.836 10.080 1.00 34.31 H new ATOM 0 HG21 VAL A 11 -11.010 1.393 12.727 1.00 62.35 H new ATOM 0 HG22 VAL A 11 -11.761 0.501 11.383 1.00 62.35 H new ATOM 0 HG23 VAL A 11 -11.692 -0.227 13.005 1.00 62.35 H new ATOM 188 N THR A 12 -7.952 -2.957 11.872 1.00 3.32 N ATOM 189 CA THR A 12 -6.681 -3.683 11.634 1.00 74.30 C ATOM 190 C THR A 12 -6.893 -4.887 10.670 1.00 2.30 C ATOM 191 O THR A 12 -5.995 -5.243 9.907 1.00 62.32 O ATOM 192 CB THR A 12 -6.034 -4.174 12.983 1.00 11.13 C ATOM 193 OG1 THR A 12 -5.864 -3.059 13.878 1.00 14.55 O ATOM 194 CG2 THR A 12 -4.659 -4.851 12.773 1.00 20.41 C ATOM 0 H THR A 12 -8.291 -3.027 12.831 1.00 3.32 H new ATOM 0 HA THR A 12 -5.993 -2.980 11.164 1.00 74.30 H new ATOM 0 HB THR A 12 -6.714 -4.914 13.406 1.00 11.13 H new ATOM 0 HG1 THR A 12 -6.739 -2.773 14.214 1.00 14.55 H new ATOM 0 HG21 THR A 12 -4.259 -5.170 13.736 1.00 20.41 H new ATOM 0 HG22 THR A 12 -4.776 -5.719 12.124 1.00 20.41 H new ATOM 0 HG23 THR A 12 -3.971 -4.142 12.311 1.00 20.41 H new ATOM 202 N ASP A 13 -8.073 -5.529 10.724 1.00 13.44 N ATOM 203 CA ASP A 13 -8.443 -6.600 9.761 1.00 23.35 C ATOM 204 C ASP A 13 -8.856 -6.046 8.371 1.00 45.15 C ATOM 205 O ASP A 13 -8.644 -6.715 7.349 1.00 21.42 O ATOM 206 CB ASP A 13 -9.535 -7.532 10.349 1.00 12.03 C ATOM 207 CG ASP A 13 -9.026 -8.426 11.496 1.00 51.33 C ATOM 208 OD1 ASP A 13 -7.830 -8.800 11.496 1.00 35.03 O ATOM 209 OD2 ASP A 13 -9.822 -8.795 12.377 1.00 53.32 O ATOM 0 H ASP A 13 -8.791 -5.331 11.421 1.00 13.44 H new ATOM 0 HA ASP A 13 -7.544 -7.194 9.597 1.00 23.35 H new ATOM 0 HB2 ASP A 13 -10.363 -6.924 10.713 1.00 12.03 H new ATOM 0 HB3 ASP A 13 -9.929 -8.164 9.553 1.00 12.03 H new ATOM 214 N GLU A 14 -9.444 -4.835 8.337 1.00 31.51 N ATOM 215 CA GLU A 14 -9.782 -4.135 7.068 1.00 22.21 C ATOM 216 C GLU A 14 -8.487 -3.730 6.319 1.00 10.32 C ATOM 217 O GLU A 14 -8.463 -3.622 5.087 1.00 72.31 O ATOM 218 CB GLU A 14 -10.677 -2.893 7.356 1.00 21.14 C ATOM 219 CG GLU A 14 -11.925 -3.177 8.219 1.00 25.23 C ATOM 220 CD GLU A 14 -12.905 -4.210 7.621 1.00 24.24 C ATOM 221 OE1 GLU A 14 -12.740 -5.430 7.864 1.00 2.24 O ATOM 222 OE2 GLU A 14 -13.859 -3.802 6.921 1.00 33.22 O ATOM 0 H GLU A 14 -9.699 -4.313 9.175 1.00 31.51 H new ATOM 0 HA GLU A 14 -10.345 -4.814 6.428 1.00 22.21 H new ATOM 0 HB2 GLU A 14 -10.073 -2.136 7.855 1.00 21.14 H new ATOM 0 HB3 GLU A 14 -11.000 -2.468 6.406 1.00 21.14 H new ATOM 0 HG2 GLU A 14 -11.600 -3.530 9.198 1.00 25.23 H new ATOM 0 HG3 GLU A 14 -12.459 -2.241 8.379 1.00 25.23 H new ATOM 229 N LEU A 15 -7.415 -3.514 7.108 1.00 44.22 N ATOM 230 CA LEU A 15 -6.041 -3.363 6.605 1.00 53.31 C ATOM 231 C LEU A 15 -5.578 -4.621 5.822 1.00 61.42 C ATOM 232 O LEU A 15 -4.983 -4.497 4.756 1.00 13.20 O ATOM 233 CB LEU A 15 -5.063 -3.134 7.781 1.00 33.25 C ATOM 234 CG LEU A 15 -3.546 -3.004 7.395 1.00 65.21 C ATOM 235 CD1 LEU A 15 -3.140 -1.546 7.081 1.00 54.41 C ATOM 236 CD2 LEU A 15 -2.648 -3.650 8.470 1.00 15.33 C ATOM 0 H LEU A 15 -7.483 -3.439 8.123 1.00 44.22 H new ATOM 0 HA LEU A 15 -6.037 -2.504 5.934 1.00 53.31 H new ATOM 0 HB2 LEU A 15 -5.363 -2.228 8.307 1.00 33.25 H new ATOM 0 HB3 LEU A 15 -5.170 -3.961 8.484 1.00 33.25 H new ATOM 0 HG LEU A 15 -3.394 -3.557 6.468 1.00 65.21 H new ATOM 0 HD11 LEU A 15 -2.082 -1.511 6.820 1.00 54.41 H new ATOM 0 HD12 LEU A 15 -3.733 -1.175 6.245 1.00 54.41 H new ATOM 0 HD13 LEU A 15 -3.319 -0.922 7.957 1.00 54.41 H new ATOM 0 HD21 LEU A 15 -1.602 -3.547 8.180 1.00 15.33 H new ATOM 0 HD22 LEU A 15 -2.810 -3.153 9.426 1.00 15.33 H new ATOM 0 HD23 LEU A 15 -2.896 -4.707 8.564 1.00 15.33 H new ATOM 248 N LYS A 16 -5.851 -5.831 6.372 1.00 73.34 N ATOM 249 CA LYS A 16 -5.366 -7.104 5.766 1.00 34.13 C ATOM 250 C LYS A 16 -5.975 -7.314 4.360 1.00 25.24 C ATOM 251 O LYS A 16 -5.281 -7.715 3.421 1.00 41.03 O ATOM 252 CB LYS A 16 -5.697 -8.363 6.624 1.00 23.13 C ATOM 253 CG LYS A 16 -5.587 -8.246 8.152 1.00 65.03 C ATOM 254 CD LYS A 16 -4.210 -7.789 8.674 1.00 21.22 C ATOM 255 CE LYS A 16 -4.026 -8.117 10.172 1.00 32.40 C ATOM 256 NZ LYS A 16 -5.201 -7.750 11.008 1.00 1.33 N ATOM 0 H LYS A 16 -6.398 -5.955 7.224 1.00 73.34 H new ATOM 0 HA LYS A 16 -4.282 -7.000 5.711 1.00 34.13 H new ATOM 0 HB2 LYS A 16 -6.715 -8.671 6.385 1.00 23.13 H new ATOM 0 HB3 LYS A 16 -5.037 -9.169 6.303 1.00 23.13 H new ATOM 0 HG2 LYS A 16 -6.343 -7.543 8.503 1.00 65.03 H new ATOM 0 HG3 LYS A 16 -5.823 -9.214 8.593 1.00 65.03 H new ATOM 0 HD2 LYS A 16 -3.423 -8.274 8.096 1.00 21.22 H new ATOM 0 HD3 LYS A 16 -4.102 -6.715 8.521 1.00 21.22 H new ATOM 0 HE2 LYS A 16 -3.831 -9.184 10.281 1.00 32.40 H new ATOM 0 HE3 LYS A 16 -3.146 -7.593 10.545 1.00 32.40 H new ATOM 0 HZ1 LYS A 16 -4.896 -7.606 11.992 1.00 1.33 H new ATOM 0 HZ2 LYS A 16 -5.625 -6.873 10.645 1.00 1.33 H new ATOM 0 HZ3 LYS A 16 -5.905 -8.515 10.973 1.00 1.33 H new ATOM 270 N GLU A 17 -7.296 -7.050 4.261 1.00 4.24 N ATOM 271 CA GLU A 17 -8.048 -7.060 2.983 1.00 11.44 C ATOM 272 C GLU A 17 -7.417 -6.112 1.964 1.00 42.54 C ATOM 273 O GLU A 17 -7.289 -6.437 0.785 1.00 53.44 O ATOM 274 CB GLU A 17 -9.529 -6.650 3.232 1.00 21.34 C ATOM 275 CG GLU A 17 -10.332 -7.618 4.120 1.00 54.40 C ATOM 276 CD GLU A 17 -10.459 -9.032 3.518 1.00 14.11 C ATOM 277 OE1 GLU A 17 -11.216 -9.201 2.536 1.00 55.45 O ATOM 278 OE2 GLU A 17 -9.819 -9.980 4.026 1.00 55.43 O ATOM 0 H GLU A 17 -7.876 -6.822 5.069 1.00 4.24 H new ATOM 0 HA GLU A 17 -8.012 -8.072 2.580 1.00 11.44 H new ATOM 0 HB2 GLU A 17 -9.544 -5.662 3.692 1.00 21.34 H new ATOM 0 HB3 GLU A 17 -10.032 -6.562 2.269 1.00 21.34 H new ATOM 0 HG2 GLU A 17 -9.852 -7.688 5.096 1.00 54.40 H new ATOM 0 HG3 GLU A 17 -11.329 -7.209 4.283 1.00 54.40 H new ATOM 285 N LEU A 18 -6.999 -4.955 2.463 1.00 73.13 N ATOM 286 CA LEU A 18 -6.432 -3.882 1.652 1.00 12.12 C ATOM 287 C LEU A 18 -5.050 -4.283 1.073 1.00 22.24 C ATOM 288 O LEU A 18 -4.787 -4.065 -0.109 1.00 3.42 O ATOM 289 CB LEU A 18 -6.364 -2.600 2.526 1.00 4.03 C ATOM 290 CG LEU A 18 -6.453 -1.243 1.770 1.00 33.22 C ATOM 291 CD1 LEU A 18 -7.594 -1.267 0.729 1.00 53.41 C ATOM 292 CD2 LEU A 18 -6.640 -0.078 2.767 1.00 72.12 C ATOM 0 H LEU A 18 -7.045 -4.732 3.457 1.00 73.13 H new ATOM 0 HA LEU A 18 -7.066 -3.687 0.787 1.00 12.12 H new ATOM 0 HB2 LEU A 18 -7.174 -2.639 3.254 1.00 4.03 H new ATOM 0 HB3 LEU A 18 -5.430 -2.618 3.087 1.00 4.03 H new ATOM 0 HG LEU A 18 -5.516 -1.087 1.236 1.00 33.22 H new ATOM 0 HD11 LEU A 18 -7.636 -0.308 0.213 1.00 53.41 H new ATOM 0 HD12 LEU A 18 -7.409 -2.060 0.005 1.00 53.41 H new ATOM 0 HD13 LEU A 18 -8.543 -1.450 1.233 1.00 53.41 H new ATOM 0 HD21 LEU A 18 -6.700 0.863 2.220 1.00 72.12 H new ATOM 0 HD22 LEU A 18 -7.559 -0.228 3.333 1.00 72.12 H new ATOM 0 HD23 LEU A 18 -5.793 -0.046 3.452 1.00 72.12 H new ATOM 304 N ILE A 19 -4.196 -4.893 1.924 1.00 20.11 N ATOM 305 CA ILE A 19 -2.879 -5.454 1.516 1.00 31.44 C ATOM 306 C ILE A 19 -3.077 -6.547 0.433 1.00 44.15 C ATOM 307 O ILE A 19 -2.384 -6.567 -0.580 1.00 21.23 O ATOM 308 CB ILE A 19 -2.117 -6.078 2.762 1.00 14.34 C ATOM 309 CG1 ILE A 19 -1.919 -5.017 3.895 1.00 64.40 C ATOM 310 CG2 ILE A 19 -0.750 -6.701 2.355 1.00 0.34 C ATOM 311 CD1 ILE A 19 -1.406 -5.581 5.219 1.00 12.11 C ATOM 0 H ILE A 19 -4.397 -5.013 2.917 1.00 20.11 H new ATOM 0 HA ILE A 19 -2.278 -4.641 1.109 1.00 31.44 H new ATOM 0 HB ILE A 19 -2.746 -6.881 3.147 1.00 14.34 H new ATOM 0 HG12 ILE A 19 -1.220 -4.258 3.544 1.00 64.40 H new ATOM 0 HG13 ILE A 19 -2.870 -4.516 4.074 1.00 64.40 H new ATOM 0 HG21 ILE A 19 -0.262 -7.116 3.237 1.00 0.34 H new ATOM 0 HG22 ILE A 19 -0.914 -7.493 1.624 1.00 0.34 H new ATOM 0 HG23 ILE A 19 -0.115 -5.931 1.918 1.00 0.34 H new ATOM 0 HD11 ILE A 19 -1.300 -4.772 5.942 1.00 12.11 H new ATOM 0 HD12 ILE A 19 -2.114 -6.318 5.599 1.00 12.11 H new ATOM 0 HD13 ILE A 19 -0.438 -6.056 5.061 1.00 12.11 H new ATOM 323 N GLN A 20 -4.068 -7.427 0.674 1.00 4.30 N ATOM 324 CA GLN A 20 -4.431 -8.544 -0.234 1.00 70.13 C ATOM 325 C GLN A 20 -4.840 -8.037 -1.640 1.00 2.32 C ATOM 326 O GLN A 20 -4.407 -8.593 -2.661 1.00 12.34 O ATOM 327 CB GLN A 20 -5.593 -9.354 0.408 1.00 31.22 C ATOM 328 CG GLN A 20 -6.084 -10.568 -0.407 1.00 65.31 C ATOM 329 CD GLN A 20 -7.235 -11.319 0.275 1.00 30.42 C ATOM 330 OE1 GLN A 20 -7.018 -12.231 1.065 1.00 30.32 O ATOM 331 NE2 GLN A 20 -8.466 -10.938 -0.017 1.00 20.42 N ATOM 0 H GLN A 20 -4.648 -7.386 1.512 1.00 4.30 H new ATOM 0 HA GLN A 20 -3.557 -9.181 -0.368 1.00 70.13 H new ATOM 0 HB2 GLN A 20 -5.271 -9.703 1.389 1.00 31.22 H new ATOM 0 HB3 GLN A 20 -6.436 -8.682 0.570 1.00 31.22 H new ATOM 0 HG2 GLN A 20 -6.410 -10.231 -1.391 1.00 65.31 H new ATOM 0 HG3 GLN A 20 -5.252 -11.254 -0.564 1.00 65.31 H new ATOM 0 HE21 GLN A 20 -8.621 -10.176 -0.678 1.00 20.42 H new ATOM 0 HE22 GLN A 20 -9.261 -11.405 0.418 1.00 20.42 H new ATOM 340 N ASN A 21 -5.686 -6.985 -1.677 1.00 34.15 N ATOM 341 CA ASN A 21 -6.118 -6.352 -2.941 1.00 75.45 C ATOM 342 C ASN A 21 -4.936 -5.710 -3.687 1.00 65.12 C ATOM 343 O ASN A 21 -4.712 -6.014 -4.853 1.00 22.11 O ATOM 344 CB ASN A 21 -7.231 -5.294 -2.706 1.00 25.42 C ATOM 345 CG ASN A 21 -8.592 -5.919 -2.396 1.00 71.32 C ATOM 346 OD1 ASN A 21 -9.023 -5.992 -1.257 1.00 10.10 O ATOM 347 ND2 ASN A 21 -9.253 -6.431 -3.417 1.00 44.44 N ATOM 0 H ASN A 21 -6.084 -6.555 -0.842 1.00 34.15 H new ATOM 0 HA ASN A 21 -6.528 -7.149 -3.561 1.00 75.45 H new ATOM 0 HB2 ASN A 21 -6.939 -4.644 -1.881 1.00 25.42 H new ATOM 0 HB3 ASN A 21 -7.319 -4.664 -3.591 1.00 25.42 H new ATOM 0 HD21 ASN A 21 -10.145 -6.901 -3.263 1.00 44.44 H new ATOM 0 HD22 ASN A 21 -8.872 -6.357 -4.360 1.00 44.44 H new ATOM 354 N VAL A 22 -4.180 -4.841 -2.985 1.00 53.44 N ATOM 355 CA VAL A 22 -3.029 -4.108 -3.563 1.00 21.04 C ATOM 356 C VAL A 22 -1.983 -5.063 -4.178 1.00 52.12 C ATOM 357 O VAL A 22 -1.589 -4.869 -5.316 1.00 4.13 O ATOM 358 CB VAL A 22 -2.366 -3.161 -2.490 1.00 71.32 C ATOM 359 CG1 VAL A 22 -1.028 -2.555 -2.966 1.00 54.10 C ATOM 360 CG2 VAL A 22 -3.337 -2.034 -2.097 1.00 1.44 C ATOM 0 H VAL A 22 -4.348 -4.626 -2.002 1.00 53.44 H new ATOM 0 HA VAL A 22 -3.416 -3.490 -4.373 1.00 21.04 H new ATOM 0 HB VAL A 22 -2.147 -3.782 -1.622 1.00 71.32 H new ATOM 0 HG11 VAL A 22 -0.621 -1.913 -2.185 1.00 54.10 H new ATOM 0 HG12 VAL A 22 -0.322 -3.357 -3.182 1.00 54.10 H new ATOM 0 HG13 VAL A 22 -1.196 -1.967 -3.868 1.00 54.10 H new ATOM 0 HG21 VAL A 22 -2.865 -1.389 -1.356 1.00 1.44 H new ATOM 0 HG22 VAL A 22 -3.590 -1.447 -2.980 1.00 1.44 H new ATOM 0 HG23 VAL A 22 -4.245 -2.466 -1.676 1.00 1.44 H new ATOM 370 N ASN A 23 -1.580 -6.106 -3.428 1.00 63.21 N ATOM 371 CA ASN A 23 -0.652 -7.160 -3.925 1.00 42.24 C ATOM 372 C ASN A 23 -1.147 -7.788 -5.255 1.00 4.33 C ATOM 373 O ASN A 23 -0.382 -7.892 -6.218 1.00 71.34 O ATOM 374 CB ASN A 23 -0.478 -8.263 -2.851 1.00 40.45 C ATOM 375 CG ASN A 23 0.344 -7.810 -1.645 1.00 23.12 C ATOM 376 OD1 ASN A 23 1.258 -7.001 -1.762 1.00 32.31 O ATOM 377 ND2 ASN A 23 0.030 -8.328 -0.475 1.00 62.34 N ATOM 0 H ASN A 23 -1.882 -6.249 -2.464 1.00 63.21 H new ATOM 0 HA ASN A 23 0.310 -6.686 -4.122 1.00 42.24 H new ATOM 0 HB2 ASN A 23 -1.462 -8.587 -2.510 1.00 40.45 H new ATOM 0 HB3 ASN A 23 0.003 -9.129 -3.305 1.00 40.45 H new ATOM 0 HD21 ASN A 23 0.552 -8.058 0.359 1.00 62.34 H new ATOM 0 HD22 ASN A 23 -0.735 -8.999 -0.403 1.00 62.34 H new ATOM 384 N ASP A 24 -2.442 -8.158 -5.294 1.00 22.34 N ATOM 385 CA ASP A 24 -3.089 -8.759 -6.487 1.00 62.52 C ATOM 386 C ASP A 24 -3.117 -7.760 -7.682 1.00 23.31 C ATOM 387 O ASP A 24 -2.899 -8.145 -8.837 1.00 62.21 O ATOM 388 CB ASP A 24 -4.525 -9.209 -6.111 1.00 43.54 C ATOM 389 CG ASP A 24 -5.217 -10.057 -7.194 1.00 33.00 C ATOM 390 OD1 ASP A 24 -5.027 -11.295 -7.199 1.00 3.32 O ATOM 391 OD2 ASP A 24 -5.947 -9.496 -8.039 1.00 74.45 O ATOM 0 H ASP A 24 -3.074 -8.050 -4.500 1.00 22.34 H new ATOM 0 HA ASP A 24 -2.508 -9.624 -6.806 1.00 62.52 H new ATOM 0 HB2 ASP A 24 -4.485 -9.783 -5.185 1.00 43.54 H new ATOM 0 HB3 ASP A 24 -5.132 -8.326 -5.912 1.00 43.54 H new ATOM 396 N ASP A 25 -3.362 -6.475 -7.367 1.00 44.22 N ATOM 397 CA ASP A 25 -3.380 -5.379 -8.355 1.00 54.31 C ATOM 398 C ASP A 25 -1.979 -5.144 -8.982 1.00 14.51 C ATOM 399 O ASP A 25 -1.854 -4.968 -10.195 1.00 22.43 O ATOM 400 CB ASP A 25 -3.913 -4.062 -7.706 1.00 20.23 C ATOM 401 CG ASP A 25 -5.432 -4.062 -7.441 1.00 51.53 C ATOM 402 OD1 ASP A 25 -6.210 -4.297 -8.395 1.00 64.13 O ATOM 403 OD2 ASP A 25 -5.862 -3.798 -6.300 1.00 3.22 O ATOM 0 H ASP A 25 -3.554 -6.165 -6.414 1.00 44.22 H new ATOM 0 HA ASP A 25 -4.055 -5.676 -9.158 1.00 54.31 H new ATOM 0 HB2 ASP A 25 -3.390 -3.896 -6.764 1.00 20.23 H new ATOM 0 HB3 ASP A 25 -3.669 -3.223 -8.358 1.00 20.23 H new ATOM 408 N ILE A 26 -0.936 -5.154 -8.139 1.00 14.44 N ATOM 409 CA ILE A 26 0.467 -4.959 -8.576 1.00 64.13 C ATOM 410 C ILE A 26 0.935 -6.131 -9.492 1.00 51.21 C ATOM 411 O ILE A 26 1.702 -5.928 -10.437 1.00 14.23 O ATOM 412 CB ILE A 26 1.429 -4.823 -7.338 1.00 4.44 C ATOM 413 CG1 ILE A 26 1.010 -3.643 -6.406 1.00 3.21 C ATOM 414 CG2 ILE A 26 2.890 -4.635 -7.779 1.00 44.51 C ATOM 415 CD1 ILE A 26 1.715 -3.640 -5.058 1.00 32.14 C ATOM 0 H ILE A 26 -1.034 -5.297 -7.134 1.00 14.44 H new ATOM 0 HA ILE A 26 0.508 -4.033 -9.150 1.00 64.13 H new ATOM 0 HB ILE A 26 1.346 -5.754 -6.778 1.00 4.44 H new ATOM 0 HG12 ILE A 26 1.216 -2.701 -6.914 1.00 3.21 H new ATOM 0 HG13 ILE A 26 -0.067 -3.688 -6.242 1.00 3.21 H new ATOM 0 HG21 ILE A 26 3.527 -4.544 -6.899 1.00 44.51 H new ATOM 0 HG22 ILE A 26 3.206 -5.496 -8.368 1.00 44.51 H new ATOM 0 HG23 ILE A 26 2.974 -3.731 -8.383 1.00 44.51 H new ATOM 0 HD11 ILE A 26 1.370 -2.790 -4.469 1.00 32.14 H new ATOM 0 HD12 ILE A 26 1.489 -4.565 -4.527 1.00 32.14 H new ATOM 0 HD13 ILE A 26 2.792 -3.563 -5.211 1.00 32.14 H new ATOM 427 N LYS A 27 0.443 -7.352 -9.199 1.00 33.22 N ATOM 428 CA LYS A 27 0.668 -8.549 -10.050 1.00 45.00 C ATOM 429 C LYS A 27 0.071 -8.363 -11.471 1.00 2.22 C ATOM 430 O LYS A 27 0.637 -8.824 -12.472 1.00 33.21 O ATOM 431 CB LYS A 27 0.045 -9.799 -9.384 1.00 52.24 C ATOM 432 CG LYS A 27 0.701 -10.240 -8.057 1.00 50.42 C ATOM 433 CD LYS A 27 -0.087 -11.370 -7.327 1.00 35.41 C ATOM 434 CE LYS A 27 -0.042 -12.749 -8.039 1.00 1.11 C ATOM 435 NZ LYS A 27 -0.765 -12.784 -9.347 1.00 13.02 N ATOM 0 H LYS A 27 -0.120 -7.541 -8.370 1.00 33.22 H new ATOM 0 HA LYS A 27 1.745 -8.684 -10.151 1.00 45.00 H new ATOM 0 HB2 LYS A 27 -1.011 -9.603 -9.200 1.00 52.24 H new ATOM 0 HB3 LYS A 27 0.097 -10.629 -10.089 1.00 52.24 H new ATOM 0 HG2 LYS A 27 1.715 -10.585 -8.258 1.00 50.42 H new ATOM 0 HG3 LYS A 27 0.783 -9.378 -7.396 1.00 50.42 H new ATOM 0 HD2 LYS A 27 0.313 -11.482 -6.319 1.00 35.41 H new ATOM 0 HD3 LYS A 27 -1.128 -11.062 -7.224 1.00 35.41 H new ATOM 0 HE2 LYS A 27 0.999 -13.027 -8.204 1.00 1.11 H new ATOM 0 HE3 LYS A 27 -0.472 -13.501 -7.378 1.00 1.11 H new ATOM 0 HZ1 LYS A 27 -1.234 -13.705 -9.460 1.00 13.02 H new ATOM 0 HZ2 LYS A 27 -1.478 -12.027 -9.370 1.00 13.02 H new ATOM 0 HZ3 LYS A 27 -0.086 -12.644 -10.123 1.00 13.02 H new ATOM 449 N GLU A 28 -1.092 -7.691 -11.535 1.00 14.54 N ATOM 450 CA GLU A 28 -1.744 -7.319 -12.810 1.00 63.11 C ATOM 451 C GLU A 28 -0.987 -6.172 -13.530 1.00 51.14 C ATOM 452 O GLU A 28 -1.125 -5.997 -14.745 1.00 31.33 O ATOM 453 CB GLU A 28 -3.234 -6.963 -12.582 1.00 10.51 C ATOM 454 CG GLU A 28 -4.085 -8.109 -11.987 1.00 42.13 C ATOM 455 CD GLU A 28 -4.063 -9.406 -12.826 1.00 14.31 C ATOM 456 OE1 GLU A 28 -4.779 -9.482 -13.849 1.00 10.34 O ATOM 457 OE2 GLU A 28 -3.322 -10.353 -12.478 1.00 4.21 O ATOM 0 H GLU A 28 -1.608 -7.390 -10.708 1.00 14.54 H new ATOM 0 HA GLU A 28 -1.704 -8.187 -13.469 1.00 63.11 H new ATOM 0 HB2 GLU A 28 -3.291 -6.102 -11.916 1.00 10.51 H new ATOM 0 HB3 GLU A 28 -3.671 -6.659 -13.533 1.00 10.51 H new ATOM 0 HG2 GLU A 28 -3.725 -8.332 -10.982 1.00 42.13 H new ATOM 0 HG3 GLU A 28 -5.116 -7.769 -11.888 1.00 42.13 H new ATOM 464 N VAL A 29 -0.230 -5.361 -12.769 1.00 22.22 N ATOM 465 CA VAL A 29 0.714 -4.385 -13.361 1.00 74.31 C ATOM 466 C VAL A 29 1.997 -5.096 -13.906 1.00 14.12 C ATOM 467 O VAL A 29 2.599 -4.634 -14.866 1.00 23.12 O ATOM 468 CB VAL A 29 1.141 -3.250 -12.357 1.00 72.52 C ATOM 469 CG1 VAL A 29 2.047 -2.222 -13.055 1.00 32.10 C ATOM 470 CG2 VAL A 29 -0.071 -2.540 -11.715 1.00 4.31 C ATOM 0 H VAL A 29 -0.250 -5.359 -11.749 1.00 22.22 H new ATOM 0 HA VAL A 29 0.173 -3.917 -14.183 1.00 74.31 H new ATOM 0 HB VAL A 29 1.696 -3.734 -11.553 1.00 72.52 H new ATOM 0 HG11 VAL A 29 2.331 -1.446 -12.344 1.00 32.10 H new ATOM 0 HG12 VAL A 29 2.943 -2.720 -13.427 1.00 32.10 H new ATOM 0 HG13 VAL A 29 1.510 -1.771 -13.889 1.00 32.10 H new ATOM 0 HG21 VAL A 29 0.280 -1.767 -11.032 1.00 4.31 H new ATOM 0 HG22 VAL A 29 -0.681 -2.085 -12.495 1.00 4.31 H new ATOM 0 HG23 VAL A 29 -0.669 -3.267 -11.164 1.00 4.31 H new ATOM 480 N GLU A 30 2.412 -6.225 -13.301 1.00 12.44 N ATOM 481 CA GLU A 30 3.593 -6.999 -13.792 1.00 44.43 C ATOM 482 C GLU A 30 3.407 -7.480 -15.263 1.00 30.04 C ATOM 483 O GLU A 30 4.380 -7.611 -16.006 1.00 64.11 O ATOM 484 CB GLU A 30 3.906 -8.203 -12.866 1.00 15.43 C ATOM 485 CG GLU A 30 4.351 -7.822 -11.440 1.00 12.52 C ATOM 486 CD GLU A 30 4.783 -9.037 -10.599 1.00 3.41 C ATOM 487 OE1 GLU A 30 3.906 -9.734 -10.045 1.00 64.43 O ATOM 488 OE2 GLU A 30 6.001 -9.311 -10.509 1.00 53.34 O ATOM 0 H GLU A 30 1.960 -6.627 -12.480 1.00 12.44 H new ATOM 0 HA GLU A 30 4.443 -6.317 -13.770 1.00 44.43 H new ATOM 0 HB2 GLU A 30 3.018 -8.832 -12.799 1.00 15.43 H new ATOM 0 HB3 GLU A 30 4.689 -8.805 -13.328 1.00 15.43 H new ATOM 0 HG2 GLU A 30 5.179 -7.116 -11.500 1.00 12.52 H new ATOM 0 HG3 GLU A 30 3.532 -7.310 -10.935 1.00 12.52 H new ATOM 495 N LYS A 31 2.148 -7.721 -15.670 1.00 33.32 N ATOM 496 CA LYS A 31 1.799 -8.066 -17.074 1.00 33.25 C ATOM 497 C LYS A 31 1.479 -6.790 -17.918 1.00 63.23 C ATOM 498 O LYS A 31 1.692 -6.776 -19.134 1.00 22.33 O ATOM 499 CB LYS A 31 0.610 -9.074 -17.090 1.00 3.15 C ATOM 500 CG LYS A 31 -0.710 -8.522 -16.514 1.00 50.01 C ATOM 501 CD LYS A 31 -1.817 -9.593 -16.352 1.00 2.33 C ATOM 502 CE LYS A 31 -1.466 -10.668 -15.308 1.00 42.33 C ATOM 503 NZ LYS A 31 -2.596 -11.607 -15.059 1.00 4.04 N ATOM 0 H LYS A 31 1.343 -7.684 -15.045 1.00 33.32 H new ATOM 0 HA LYS A 31 2.664 -8.540 -17.539 1.00 33.25 H new ATOM 0 HB2 LYS A 31 0.437 -9.394 -18.117 1.00 3.15 H new ATOM 0 HB3 LYS A 31 0.895 -9.961 -16.524 1.00 3.15 H new ATOM 0 HG2 LYS A 31 -0.511 -8.069 -15.543 1.00 50.01 H new ATOM 0 HG3 LYS A 31 -1.077 -7.729 -17.166 1.00 50.01 H new ATOM 0 HD2 LYS A 31 -2.748 -9.105 -16.064 1.00 2.33 H new ATOM 0 HD3 LYS A 31 -1.994 -10.073 -17.314 1.00 2.33 H new ATOM 0 HE2 LYS A 31 -0.597 -11.231 -15.648 1.00 42.33 H new ATOM 0 HE3 LYS A 31 -1.186 -10.184 -14.372 1.00 42.33 H new ATOM 0 HZ1 LYS A 31 -3.025 -11.397 -14.135 1.00 4.04 H new ATOM 0 HZ2 LYS A 31 -3.311 -11.496 -15.806 1.00 4.04 H new ATOM 0 HZ3 LYS A 31 -2.242 -12.585 -15.062 1.00 4.04 H new ATOM 517 N ASN A 32 0.994 -5.710 -17.246 1.00 32.15 N ATOM 518 CA ASN A 32 0.626 -4.409 -17.893 1.00 65.23 C ATOM 519 C ASN A 32 1.311 -3.211 -17.149 1.00 51.03 C ATOM 520 O ASN A 32 0.641 -2.466 -16.418 1.00 64.15 O ATOM 521 CB ASN A 32 -0.925 -4.249 -17.890 1.00 53.22 C ATOM 522 CG ASN A 32 -1.657 -5.354 -18.662 1.00 2.41 C ATOM 523 OD1 ASN A 32 -1.224 -5.792 -19.721 1.00 50.13 O ATOM 524 ND2 ASN A 32 -2.760 -5.837 -18.124 1.00 3.42 N ATOM 0 H ASN A 32 0.845 -5.712 -16.237 1.00 32.15 H new ATOM 0 HA ASN A 32 0.980 -4.408 -18.924 1.00 65.23 H new ATOM 0 HB2 ASN A 32 -1.279 -4.241 -16.859 1.00 53.22 H new ATOM 0 HB3 ASN A 32 -1.183 -3.283 -18.323 1.00 53.22 H new ATOM 0 HD21 ASN A 32 -3.268 -6.588 -18.590 1.00 3.42 H new ATOM 0 HD22 ASN A 32 -3.105 -5.459 -17.242 1.00 3.42 H new ATOM 531 N PRO A 33 2.675 -3.027 -17.307 1.00 23.11 N ATOM 532 CA PRO A 33 3.489 -2.087 -16.463 1.00 30.15 C ATOM 533 C PRO A 33 3.063 -0.596 -16.512 1.00 71.24 C ATOM 534 O PRO A 33 2.855 0.037 -15.469 1.00 12.14 O ATOM 535 CB PRO A 33 4.937 -2.280 -17.007 1.00 11.01 C ATOM 536 CG PRO A 33 4.914 -3.627 -17.663 1.00 35.32 C ATOM 537 CD PRO A 33 3.543 -3.728 -18.290 1.00 43.15 C ATOM 0 HA PRO A 33 3.363 -2.324 -15.407 1.00 30.15 H new ATOM 0 HB2 PRO A 33 5.202 -1.497 -17.717 1.00 11.01 H new ATOM 0 HB3 PRO A 33 5.672 -2.243 -16.203 1.00 11.01 H new ATOM 0 HG2 PRO A 33 5.700 -3.715 -18.414 1.00 35.32 H new ATOM 0 HG3 PRO A 33 5.076 -4.423 -16.937 1.00 35.32 H new ATOM 0 HD2 PRO A 33 3.511 -3.251 -19.270 1.00 43.15 H new ATOM 0 HD3 PRO A 33 3.238 -4.765 -18.430 1.00 43.15 H new ATOM 545 N GLU A 34 2.924 -0.052 -17.725 1.00 23.32 N ATOM 546 CA GLU A 34 2.682 1.392 -17.944 1.00 5.12 C ATOM 547 C GLU A 34 1.172 1.773 -17.829 1.00 44.32 C ATOM 548 O GLU A 34 0.787 2.903 -18.159 1.00 14.24 O ATOM 549 CB GLU A 34 3.239 1.771 -19.347 1.00 5.30 C ATOM 550 CG GLU A 34 3.513 3.283 -19.551 1.00 20.44 C ATOM 551 CD GLU A 34 3.325 3.749 -21.002 1.00 24.01 C ATOM 552 OE1 GLU A 34 2.162 3.841 -21.450 1.00 23.20 O ATOM 553 OE2 GLU A 34 4.327 4.020 -21.702 1.00 53.22 O ATOM 0 H GLU A 34 2.975 -0.594 -18.588 1.00 23.32 H new ATOM 0 HA GLU A 34 3.194 1.953 -17.162 1.00 5.12 H new ATOM 0 HB2 GLU A 34 4.166 1.222 -19.515 1.00 5.30 H new ATOM 0 HB3 GLU A 34 2.530 1.439 -20.106 1.00 5.30 H new ATOM 0 HG2 GLU A 34 2.847 3.855 -18.905 1.00 20.44 H new ATOM 0 HG3 GLU A 34 4.532 3.505 -19.235 1.00 20.44 H new ATOM 560 N ASP A 35 0.314 0.841 -17.352 1.00 41.51 N ATOM 561 CA ASP A 35 -1.133 1.110 -17.196 1.00 42.42 C ATOM 562 C ASP A 35 -1.368 2.081 -16.001 1.00 73.14 C ATOM 563 O ASP A 35 -1.429 1.664 -14.836 1.00 64.20 O ATOM 564 CB ASP A 35 -1.934 -0.212 -17.030 1.00 33.42 C ATOM 565 CG ASP A 35 -3.425 -0.045 -17.390 1.00 51.22 C ATOM 566 OD1 ASP A 35 -4.173 0.615 -16.631 1.00 51.42 O ATOM 567 OD2 ASP A 35 -3.851 -0.534 -18.457 1.00 44.34 O ATOM 0 H ASP A 35 0.597 -0.098 -17.070 1.00 41.51 H new ATOM 0 HA ASP A 35 -1.500 1.592 -18.102 1.00 42.42 H new ATOM 0 HB2 ASP A 35 -1.494 -0.982 -17.663 1.00 33.42 H new ATOM 0 HB3 ASP A 35 -1.848 -0.559 -16.000 1.00 33.42 H new ATOM 572 N MET A 36 -1.491 3.379 -16.329 1.00 34.44 N ATOM 573 CA MET A 36 -1.581 4.479 -15.343 1.00 14.30 C ATOM 574 C MET A 36 -2.922 4.496 -14.592 1.00 62.14 C ATOM 575 O MET A 36 -2.985 4.909 -13.434 1.00 13.11 O ATOM 576 CB MET A 36 -1.336 5.826 -16.061 1.00 42.35 C ATOM 577 CG MET A 36 0.045 5.973 -16.728 1.00 4.11 C ATOM 578 SD MET A 36 1.405 6.144 -15.545 1.00 12.02 S ATOM 579 CE MET A 36 1.858 4.450 -15.167 1.00 52.52 C ATOM 0 H MET A 36 -1.531 3.701 -17.296 1.00 34.44 H new ATOM 0 HA MET A 36 -0.813 4.315 -14.588 1.00 14.30 H new ATOM 0 HB2 MET A 36 -2.105 5.959 -16.822 1.00 42.35 H new ATOM 0 HB3 MET A 36 -1.460 6.632 -15.338 1.00 42.35 H new ATOM 0 HG2 MET A 36 0.230 5.103 -17.358 1.00 4.11 H new ATOM 0 HG3 MET A 36 0.032 6.844 -17.383 1.00 4.11 H new ATOM 0 HE1 MET A 36 1.904 4.318 -14.086 1.00 52.52 H new ATOM 0 HE2 MET A 36 1.113 3.772 -15.584 1.00 52.52 H new ATOM 0 HE3 MET A 36 2.833 4.229 -15.601 1.00 52.52 H new ATOM 589 N GLU A 37 -3.986 4.053 -15.274 1.00 54.44 N ATOM 590 CA GLU A 37 -5.335 3.933 -14.683 1.00 33.32 C ATOM 591 C GLU A 37 -5.386 2.790 -13.628 1.00 4.13 C ATOM 592 O GLU A 37 -6.149 2.854 -12.656 1.00 11.23 O ATOM 593 CB GLU A 37 -6.379 3.694 -15.802 1.00 54.12 C ATOM 594 CG GLU A 37 -7.850 3.712 -15.331 1.00 54.30 C ATOM 595 CD GLU A 37 -8.852 3.395 -16.453 1.00 32.51 C ATOM 596 OE1 GLU A 37 -9.169 2.201 -16.659 1.00 21.01 O ATOM 597 OE2 GLU A 37 -9.305 4.334 -17.151 1.00 50.31 O ATOM 0 H GLU A 37 -3.941 3.766 -16.252 1.00 54.44 H new ATOM 0 HA GLU A 37 -5.573 4.865 -14.170 1.00 33.32 H new ATOM 0 HB2 GLU A 37 -6.249 4.457 -16.570 1.00 54.12 H new ATOM 0 HB3 GLU A 37 -6.174 2.732 -16.271 1.00 54.12 H new ATOM 0 HG2 GLU A 37 -7.975 2.988 -14.526 1.00 54.30 H new ATOM 0 HG3 GLU A 37 -8.079 4.693 -14.915 1.00 54.30 H new ATOM 604 N TYR A 38 -4.582 1.731 -13.844 1.00 23.41 N ATOM 605 CA TYR A 38 -4.458 0.614 -12.876 1.00 2.20 C ATOM 606 C TYR A 38 -3.611 1.025 -11.643 1.00 2.41 C ATOM 607 O TYR A 38 -3.916 0.629 -10.512 1.00 65.24 O ATOM 608 CB TYR A 38 -3.885 -0.660 -13.564 1.00 24.42 C ATOM 609 CG TYR A 38 -4.473 -1.956 -12.991 1.00 20.33 C ATOM 610 CD1 TYR A 38 -3.920 -2.565 -11.874 1.00 73.14 C ATOM 611 CD2 TYR A 38 -5.623 -2.535 -13.547 1.00 3.42 C ATOM 612 CE1 TYR A 38 -4.477 -3.700 -11.343 1.00 22.05 C ATOM 613 CE2 TYR A 38 -6.182 -3.674 -13.005 1.00 52.40 C ATOM 614 CZ TYR A 38 -5.602 -4.250 -11.901 1.00 73.33 C ATOM 615 OH TYR A 38 -6.156 -5.383 -11.345 1.00 33.20 O ATOM 0 H TYR A 38 -4.007 1.622 -14.679 1.00 23.41 H new ATOM 0 HA TYR A 38 -5.458 0.373 -12.515 1.00 2.20 H new ATOM 0 HB2 TYR A 38 -4.090 -0.614 -14.634 1.00 24.42 H new ATOM 0 HB3 TYR A 38 -2.801 -0.675 -13.448 1.00 24.42 H new ATOM 0 HD1 TYR A 38 -3.039 -2.140 -11.416 1.00 73.14 H new ATOM 0 HD2 TYR A 38 -6.079 -2.081 -14.415 1.00 3.42 H new ATOM 0 HE1 TYR A 38 -4.026 -4.164 -10.478 1.00 22.05 H new ATOM 0 HE2 TYR A 38 -7.067 -4.109 -13.445 1.00 52.40 H new ATOM 0 HH TYR A 38 -6.279 -5.248 -10.382 1.00 33.20 H new ATOM 625 N TRP A 39 -2.540 1.814 -11.877 1.00 75.44 N ATOM 626 CA TRP A 39 -1.744 2.439 -10.789 1.00 41.34 C ATOM 627 C TRP A 39 -2.585 3.468 -9.984 1.00 54.32 C ATOM 628 O TRP A 39 -2.364 3.646 -8.789 1.00 50.35 O ATOM 629 CB TRP A 39 -0.449 3.102 -11.346 1.00 11.00 C ATOM 630 CG TRP A 39 0.720 2.151 -11.535 1.00 33.35 C ATOM 631 CD1 TRP A 39 1.342 1.824 -12.708 1.00 20.31 C ATOM 632 CD2 TRP A 39 1.404 1.402 -10.503 1.00 50.20 C ATOM 633 NE1 TRP A 39 2.373 0.952 -12.470 1.00 2.21 N ATOM 634 CE2 TRP A 39 2.425 0.669 -11.131 1.00 4.50 C ATOM 635 CE3 TRP A 39 1.257 1.284 -9.114 1.00 54.53 C ATOM 636 CZ2 TRP A 39 3.291 -0.169 -10.426 1.00 32.44 C ATOM 637 CZ3 TRP A 39 2.115 0.450 -8.415 1.00 14.10 C ATOM 638 CH2 TRP A 39 3.122 -0.269 -9.075 1.00 33.33 C ATOM 0 H TRP A 39 -2.203 2.036 -12.814 1.00 75.44 H new ATOM 0 HA TRP A 39 -1.450 1.642 -10.106 1.00 41.34 H new ATOM 0 HB2 TRP A 39 -0.679 3.568 -12.304 1.00 11.00 H new ATOM 0 HB3 TRP A 39 -0.145 3.900 -10.668 1.00 11.00 H new ATOM 0 HD1 TRP A 39 1.062 2.199 -13.681 1.00 20.31 H new ATOM 0 HE1 TRP A 39 3.002 0.574 -13.178 1.00 2.21 H new ATOM 0 HE3 TRP A 39 0.486 1.835 -8.596 1.00 54.53 H new ATOM 0 HZ2 TRP A 39 4.069 -0.720 -10.933 1.00 32.44 H new ATOM 0 HZ3 TRP A 39 2.006 0.352 -7.345 1.00 14.10 H new ATOM 0 HH2 TRP A 39 3.775 -0.913 -8.505 1.00 33.33 H new ATOM 649 N ASN A 40 -3.554 4.118 -10.665 1.00 42.02 N ATOM 650 CA ASN A 40 -4.552 5.019 -10.050 1.00 74.23 C ATOM 651 C ASN A 40 -5.403 4.265 -8.993 1.00 71.14 C ATOM 652 O ASN A 40 -5.653 4.791 -7.902 1.00 13.02 O ATOM 653 CB ASN A 40 -5.412 5.608 -11.209 1.00 63.34 C ATOM 654 CG ASN A 40 -6.795 6.147 -10.844 1.00 45.14 C ATOM 655 OD1 ASN A 40 -7.028 6.710 -9.783 1.00 24.12 O ATOM 656 ND2 ASN A 40 -7.730 5.966 -11.745 1.00 23.23 N ATOM 0 H ASN A 40 -3.666 4.029 -11.675 1.00 42.02 H new ATOM 0 HA ASN A 40 -4.070 5.832 -9.507 1.00 74.23 H new ATOM 0 HB2 ASN A 40 -4.846 6.415 -11.674 1.00 63.34 H new ATOM 0 HB3 ASN A 40 -5.540 4.832 -11.964 1.00 63.34 H new ATOM 0 HD21 ASN A 40 -8.678 6.298 -11.570 1.00 23.23 H new ATOM 0 HD22 ASN A 40 -7.509 5.493 -12.621 1.00 23.23 H new ATOM 663 N LYS A 41 -5.817 3.032 -9.337 1.00 33.42 N ATOM 664 CA LYS A 41 -6.535 2.121 -8.414 1.00 73.42 C ATOM 665 C LYS A 41 -5.711 1.840 -7.132 1.00 61.32 C ATOM 666 O LYS A 41 -6.188 2.066 -6.016 1.00 1.21 O ATOM 667 CB LYS A 41 -6.848 0.781 -9.132 1.00 33.31 C ATOM 668 CG LYS A 41 -7.855 0.885 -10.293 1.00 71.12 C ATOM 669 CD LYS A 41 -9.274 1.342 -9.823 1.00 64.25 C ATOM 670 CE LYS A 41 -10.416 0.580 -10.521 1.00 72.52 C ATOM 671 NZ LYS A 41 -10.356 -0.877 -10.217 1.00 54.32 N ATOM 0 H LYS A 41 -5.665 2.634 -10.264 1.00 33.42 H new ATOM 0 HA LYS A 41 -7.463 2.611 -8.120 1.00 73.42 H new ATOM 0 HB2 LYS A 41 -5.916 0.365 -9.515 1.00 33.31 H new ATOM 0 HB3 LYS A 41 -7.234 0.074 -8.398 1.00 33.31 H new ATOM 0 HG2 LYS A 41 -7.478 1.590 -11.033 1.00 71.12 H new ATOM 0 HG3 LYS A 41 -7.935 -0.083 -10.787 1.00 71.12 H new ATOM 0 HD2 LYS A 41 -9.356 1.201 -8.745 1.00 64.25 H new ATOM 0 HD3 LYS A 41 -9.387 2.409 -10.014 1.00 64.25 H new ATOM 0 HE2 LYS A 41 -11.376 0.982 -10.198 1.00 72.52 H new ATOM 0 HE3 LYS A 41 -10.353 0.732 -11.598 1.00 72.52 H new ATOM 0 HZ1 LYS A 41 -11.301 -1.295 -10.334 1.00 54.32 H new ATOM 0 HZ2 LYS A 41 -9.690 -1.340 -10.867 1.00 54.32 H new ATOM 0 HZ3 LYS A 41 -10.035 -1.014 -9.237 1.00 54.32 H new ATOM 685 N ILE A 42 -4.461 1.376 -7.335 1.00 74.15 N ATOM 686 CA ILE A 42 -3.506 1.045 -6.244 1.00 51.12 C ATOM 687 C ILE A 42 -3.228 2.272 -5.336 1.00 22.12 C ATOM 688 O ILE A 42 -3.151 2.151 -4.110 1.00 53.22 O ATOM 689 CB ILE A 42 -2.153 0.501 -6.852 1.00 62.54 C ATOM 690 CG1 ILE A 42 -2.436 -0.748 -7.751 1.00 42.21 C ATOM 691 CG2 ILE A 42 -1.102 0.168 -5.752 1.00 13.42 C ATOM 692 CD1 ILE A 42 -1.232 -1.310 -8.487 1.00 70.01 C ATOM 0 H ILE A 42 -4.078 1.217 -8.267 1.00 74.15 H new ATOM 0 HA ILE A 42 -3.961 0.271 -5.627 1.00 51.12 H new ATOM 0 HB ILE A 42 -1.723 1.293 -7.465 1.00 62.54 H new ATOM 0 HG12 ILE A 42 -2.858 -1.535 -7.126 1.00 42.21 H new ATOM 0 HG13 ILE A 42 -3.196 -0.481 -8.485 1.00 42.21 H new ATOM 0 HG21 ILE A 42 -0.190 -0.202 -6.220 1.00 13.42 H new ATOM 0 HG22 ILE A 42 -0.877 1.068 -5.180 1.00 13.42 H new ATOM 0 HG23 ILE A 42 -1.503 -0.595 -5.085 1.00 13.42 H new ATOM 0 HD11 ILE A 42 -1.538 -2.172 -9.080 1.00 70.01 H new ATOM 0 HD12 ILE A 42 -0.818 -0.546 -9.145 1.00 70.01 H new ATOM 0 HD13 ILE A 42 -0.475 -1.616 -7.765 1.00 70.01 H new ATOM 704 N TYR A 43 -3.122 3.449 -5.973 1.00 54.32 N ATOM 705 CA TYR A 43 -2.840 4.742 -5.304 1.00 60.42 C ATOM 706 C TYR A 43 -3.964 5.091 -4.277 1.00 55.03 C ATOM 707 O TYR A 43 -3.682 5.511 -3.149 1.00 33.44 O ATOM 708 CB TYR A 43 -2.712 5.849 -6.400 1.00 51.50 C ATOM 709 CG TYR A 43 -1.868 7.098 -6.036 1.00 55.24 C ATOM 710 CD1 TYR A 43 -1.841 7.633 -4.745 1.00 50.51 C ATOM 711 CD2 TYR A 43 -1.104 7.747 -7.014 1.00 40.32 C ATOM 712 CE1 TYR A 43 -1.088 8.753 -4.447 1.00 11.32 C ATOM 713 CE2 TYR A 43 -0.351 8.862 -6.711 1.00 75.15 C ATOM 714 CZ TYR A 43 -0.350 9.363 -5.430 1.00 71.22 C ATOM 715 OH TYR A 43 0.399 10.477 -5.132 1.00 32.22 O ATOM 0 H TYR A 43 -3.231 3.537 -6.983 1.00 54.32 H new ATOM 0 HA TYR A 43 -1.906 4.675 -4.746 1.00 60.42 H new ATOM 0 HB2 TYR A 43 -2.280 5.396 -7.292 1.00 51.50 H new ATOM 0 HB3 TYR A 43 -3.715 6.182 -6.665 1.00 51.50 H new ATOM 0 HD1 TYR A 43 -2.420 7.162 -3.965 1.00 50.51 H new ATOM 0 HD2 TYR A 43 -1.105 7.367 -8.025 1.00 40.32 H new ATOM 0 HE1 TYR A 43 -1.080 9.148 -3.442 1.00 11.32 H new ATOM 0 HE2 TYR A 43 0.238 9.342 -7.479 1.00 75.15 H new ATOM 0 HH TYR A 43 0.450 11.057 -5.920 1.00 32.22 H new ATOM 725 N ARG A 44 -5.231 4.902 -4.698 1.00 43.02 N ATOM 726 CA ARG A 44 -6.432 5.149 -3.851 1.00 42.14 C ATOM 727 C ARG A 44 -6.497 4.196 -2.623 1.00 33.44 C ATOM 728 O ARG A 44 -7.030 4.556 -1.565 1.00 23.22 O ATOM 729 CB ARG A 44 -7.717 4.994 -4.709 1.00 11.33 C ATOM 730 CG ARG A 44 -7.861 6.019 -5.857 1.00 31.31 C ATOM 731 CD ARG A 44 -9.129 5.803 -6.707 1.00 70.23 C ATOM 732 NE ARG A 44 -9.216 6.775 -7.812 1.00 24.24 N ATOM 733 CZ ARG A 44 -10.325 7.220 -8.372 1.00 41.23 C ATOM 734 NH1 ARG A 44 -11.498 6.837 -7.969 1.00 34.25 N ATOM 735 NH2 ARG A 44 -10.246 8.056 -9.358 1.00 52.02 N ATOM 0 H ARG A 44 -5.458 4.573 -5.636 1.00 43.02 H new ATOM 0 HA ARG A 44 -6.359 6.166 -3.467 1.00 42.14 H new ATOM 0 HB2 ARG A 44 -7.734 3.990 -5.134 1.00 11.33 H new ATOM 0 HB3 ARG A 44 -8.585 5.078 -4.055 1.00 11.33 H new ATOM 0 HG2 ARG A 44 -7.879 7.025 -5.437 1.00 31.31 H new ATOM 0 HG3 ARG A 44 -6.984 5.959 -6.502 1.00 31.31 H new ATOM 0 HD2 ARG A 44 -9.128 4.791 -7.112 1.00 70.23 H new ATOM 0 HD3 ARG A 44 -10.012 5.892 -6.073 1.00 70.23 H new ATOM 0 HE ARG A 44 -8.336 7.138 -8.178 1.00 24.24 H new ATOM 0 HH11 ARG A 44 -11.581 6.174 -7.199 1.00 34.25 H new ATOM 0 HH12 ARG A 44 -12.337 7.199 -8.423 1.00 34.25 H new ATOM 0 HH21 ARG A 44 -9.333 8.364 -9.694 1.00 52.02 H new ATOM 0 HH22 ARG A 44 -11.096 8.407 -9.799 1.00 52.02 H new ATOM 749 N LEU A 45 -5.947 2.985 -2.786 1.00 15.03 N ATOM 750 CA LEU A 45 -5.898 1.963 -1.716 1.00 44.11 C ATOM 751 C LEU A 45 -4.791 2.290 -0.677 1.00 34.01 C ATOM 752 O LEU A 45 -5.007 2.163 0.535 1.00 1.04 O ATOM 753 CB LEU A 45 -5.666 0.572 -2.348 1.00 15.00 C ATOM 754 CG LEU A 45 -6.696 0.137 -3.442 1.00 21.10 C ATOM 755 CD1 LEU A 45 -6.253 -1.162 -4.157 1.00 73.24 C ATOM 756 CD2 LEU A 45 -8.120 -0.009 -2.856 1.00 72.42 C ATOM 0 H LEU A 45 -5.522 2.680 -3.662 1.00 15.03 H new ATOM 0 HA LEU A 45 -6.850 1.962 -1.185 1.00 44.11 H new ATOM 0 HB2 LEU A 45 -4.669 0.557 -2.789 1.00 15.00 H new ATOM 0 HB3 LEU A 45 -5.674 -0.173 -1.552 1.00 15.00 H new ATOM 0 HG LEU A 45 -6.725 0.931 -4.188 1.00 21.10 H new ATOM 0 HD11 LEU A 45 -6.993 -1.433 -4.910 1.00 73.24 H new ATOM 0 HD12 LEU A 45 -5.288 -1.002 -4.638 1.00 73.24 H new ATOM 0 HD13 LEU A 45 -6.166 -1.967 -3.428 1.00 73.24 H new ATOM 0 HD21 LEU A 45 -8.809 -0.312 -3.645 1.00 72.42 H new ATOM 0 HD22 LEU A 45 -8.114 -0.764 -2.069 1.00 72.42 H new ATOM 0 HD23 LEU A 45 -8.442 0.946 -2.440 1.00 72.42 H new ATOM 768 N VAL A 46 -3.607 2.720 -1.173 1.00 71.21 N ATOM 769 CA VAL A 46 -2.473 3.161 -0.314 1.00 54.14 C ATOM 770 C VAL A 46 -2.828 4.473 0.439 1.00 41.03 C ATOM 771 O VAL A 46 -2.366 4.690 1.564 1.00 3.23 O ATOM 772 CB VAL A 46 -1.141 3.338 -1.148 1.00 43.41 C ATOM 773 CG1 VAL A 46 0.044 3.810 -0.261 1.00 33.12 C ATOM 774 CG2 VAL A 46 -0.774 2.027 -1.887 1.00 73.15 C ATOM 0 H VAL A 46 -3.408 2.772 -2.172 1.00 71.21 H new ATOM 0 HA VAL A 46 -2.298 2.376 0.422 1.00 54.14 H new ATOM 0 HB VAL A 46 -1.328 4.117 -1.887 1.00 43.41 H new ATOM 0 HG11 VAL A 46 0.938 3.918 -0.875 1.00 33.12 H new ATOM 0 HG12 VAL A 46 -0.202 4.769 0.194 1.00 33.12 H new ATOM 0 HG13 VAL A 46 0.229 3.074 0.521 1.00 33.12 H new ATOM 0 HG21 VAL A 46 0.146 2.174 -2.454 1.00 73.15 H new ATOM 0 HG22 VAL A 46 -0.629 1.228 -1.160 1.00 73.15 H new ATOM 0 HG23 VAL A 46 -1.580 1.755 -2.568 1.00 73.15 H new ATOM 784 N HIS A 47 -3.671 5.324 -0.195 1.00 73.11 N ATOM 785 CA HIS A 47 -4.305 6.500 0.469 1.00 3.33 C ATOM 786 C HIS A 47 -5.016 6.084 1.785 1.00 23.13 C ATOM 787 O HIS A 47 -4.880 6.744 2.819 1.00 42.13 O ATOM 788 CB HIS A 47 -5.353 7.185 -0.476 1.00 42.14 C ATOM 789 CG HIS A 47 -4.860 8.362 -1.277 1.00 13.20 C ATOM 790 ND1 HIS A 47 -4.531 8.296 -2.612 1.00 63.22 N ATOM 791 CD2 HIS A 47 -4.713 9.668 -0.930 1.00 3.04 C ATOM 792 CE1 HIS A 47 -4.201 9.496 -3.040 1.00 23.23 C ATOM 793 NE2 HIS A 47 -4.305 10.341 -2.047 1.00 3.50 N ATOM 0 H HIS A 47 -3.932 5.220 -1.175 1.00 73.11 H new ATOM 0 HA HIS A 47 -3.506 7.206 0.697 1.00 3.33 H new ATOM 0 HB2 HIS A 47 -5.731 6.434 -1.169 1.00 42.14 H new ATOM 0 HB3 HIS A 47 -6.197 7.513 0.130 1.00 42.14 H new ATOM 0 HD1 HIS A 47 -4.541 7.449 -3.181 1.00 63.22 H new ATOM 0 HD2 HIS A 47 -4.886 10.094 0.047 1.00 3.04 H new ATOM 0 HE1 HIS A 47 -3.895 9.743 -4.046 1.00 23.23 H new ATOM 802 N THR A 48 -5.779 4.981 1.712 1.00 4.54 N ATOM 803 CA THR A 48 -6.580 4.484 2.844 1.00 74.12 C ATOM 804 C THR A 48 -5.693 3.828 3.930 1.00 55.30 C ATOM 805 O THR A 48 -5.969 3.994 5.115 1.00 45.41 O ATOM 806 CB THR A 48 -7.696 3.499 2.362 1.00 14.05 C ATOM 807 OG1 THR A 48 -8.507 4.142 1.362 1.00 3.43 O ATOM 808 CG2 THR A 48 -8.604 3.021 3.522 1.00 1.33 C ATOM 0 H THR A 48 -5.858 4.410 0.870 1.00 4.54 H new ATOM 0 HA THR A 48 -7.067 5.348 3.296 1.00 74.12 H new ATOM 0 HB THR A 48 -7.198 2.622 1.948 1.00 14.05 H new ATOM 0 HG1 THR A 48 -7.995 4.226 0.530 1.00 3.43 H new ATOM 0 HG21 THR A 48 -9.361 2.340 3.134 1.00 1.33 H new ATOM 0 HG22 THR A 48 -8.000 2.505 4.268 1.00 1.33 H new ATOM 0 HG23 THR A 48 -9.091 3.881 3.981 1.00 1.33 H new ATOM 816 N MET A 49 -4.621 3.103 3.527 1.00 71.14 N ATOM 817 CA MET A 49 -3.650 2.509 4.493 1.00 52.22 C ATOM 818 C MET A 49 -2.936 3.611 5.303 1.00 33.40 C ATOM 819 O MET A 49 -2.853 3.543 6.527 1.00 64.34 O ATOM 820 CB MET A 49 -2.569 1.654 3.786 1.00 11.54 C ATOM 821 CG MET A 49 -3.091 0.589 2.855 1.00 62.23 C ATOM 822 SD MET A 49 -1.769 -0.390 2.142 1.00 32.20 S ATOM 823 CE MET A 49 -2.737 -1.639 1.327 1.00 24.44 C ATOM 0 H MET A 49 -4.403 2.914 2.549 1.00 71.14 H new ATOM 0 HA MET A 49 -4.233 1.868 5.154 1.00 52.22 H new ATOM 0 HB2 MET A 49 -1.917 2.319 3.220 1.00 11.54 H new ATOM 0 HB3 MET A 49 -1.953 1.176 4.548 1.00 11.54 H new ATOM 0 HG2 MET A 49 -3.773 -0.065 3.399 1.00 62.23 H new ATOM 0 HG3 MET A 49 -3.667 1.057 2.056 1.00 62.23 H new ATOM 0 HE1 MET A 49 -2.078 -2.302 0.766 1.00 24.44 H new ATOM 0 HE2 MET A 49 -3.286 -2.217 2.071 1.00 24.44 H new ATOM 0 HE3 MET A 49 -3.442 -1.165 0.644 1.00 24.44 H new ATOM 833 N LYS A 50 -2.366 4.582 4.562 1.00 73.34 N ATOM 834 CA LYS A 50 -1.760 5.813 5.107 1.00 31.10 C ATOM 835 C LYS A 50 -2.698 6.522 6.108 1.00 24.02 C ATOM 836 O LYS A 50 -2.268 6.937 7.181 1.00 42.12 O ATOM 837 CB LYS A 50 -1.414 6.757 3.931 1.00 43.42 C ATOM 838 CG LYS A 50 -0.598 8.010 4.315 1.00 4.42 C ATOM 839 CD LYS A 50 -0.196 8.851 3.076 1.00 22.24 C ATOM 840 CE LYS A 50 0.624 10.097 3.437 1.00 53.53 C ATOM 841 NZ LYS A 50 -0.103 11.011 4.364 1.00 24.42 N ATOM 0 H LYS A 50 -2.313 4.531 3.545 1.00 73.34 H new ATOM 0 HA LYS A 50 -0.856 5.545 5.654 1.00 31.10 H new ATOM 0 HB2 LYS A 50 -0.854 6.193 3.185 1.00 43.42 H new ATOM 0 HB3 LYS A 50 -2.342 7.078 3.458 1.00 43.42 H new ATOM 0 HG2 LYS A 50 -1.183 8.627 4.997 1.00 4.42 H new ATOM 0 HG3 LYS A 50 0.300 7.706 4.852 1.00 4.42 H new ATOM 0 HD2 LYS A 50 0.382 8.228 2.393 1.00 22.24 H new ATOM 0 HD3 LYS A 50 -1.097 9.157 2.544 1.00 22.24 H new ATOM 0 HE2 LYS A 50 1.563 9.789 3.898 1.00 53.53 H new ATOM 0 HE3 LYS A 50 0.879 10.637 2.525 1.00 53.53 H new ATOM 0 HZ1 LYS A 50 -0.103 11.975 3.973 1.00 24.42 H new ATOM 0 HZ2 LYS A 50 -1.084 10.683 4.476 1.00 24.42 H new ATOM 0 HZ3 LYS A 50 0.369 11.013 5.290 1.00 24.42 H new ATOM 855 N GLU A 51 -3.985 6.621 5.750 1.00 24.21 N ATOM 856 CA GLU A 51 -5.028 7.178 6.628 1.00 54.12 C ATOM 857 C GLU A 51 -5.216 6.330 7.925 1.00 10.11 C ATOM 858 O GLU A 51 -5.330 6.889 9.024 1.00 22.12 O ATOM 859 CB GLU A 51 -6.354 7.277 5.834 1.00 31.25 C ATOM 860 CG GLU A 51 -7.518 7.911 6.609 1.00 10.30 C ATOM 861 CD GLU A 51 -8.828 7.971 5.807 1.00 24.25 C ATOM 862 OE1 GLU A 51 -9.011 8.927 5.015 1.00 12.33 O ATOM 863 OE2 GLU A 51 -9.671 7.053 5.946 1.00 50.13 O ATOM 0 H GLU A 51 -4.335 6.317 4.842 1.00 24.21 H new ATOM 0 HA GLU A 51 -4.717 8.172 6.950 1.00 54.12 H new ATOM 0 HB2 GLU A 51 -6.178 7.859 4.929 1.00 31.25 H new ATOM 0 HB3 GLU A 51 -6.648 6.276 5.517 1.00 31.25 H new ATOM 0 HG2 GLU A 51 -7.687 7.343 7.524 1.00 10.30 H new ATOM 0 HG3 GLU A 51 -7.238 8.921 6.908 1.00 10.30 H new ATOM 870 N ILE A 52 -5.223 4.979 7.777 1.00 52.33 N ATOM 871 CA ILE A 52 -5.364 4.023 8.915 1.00 73.41 C ATOM 872 C ILE A 52 -4.194 4.174 9.930 1.00 12.31 C ATOM 873 O ILE A 52 -4.418 4.273 11.139 1.00 15.24 O ATOM 874 CB ILE A 52 -5.458 2.515 8.401 1.00 22.43 C ATOM 875 CG1 ILE A 52 -6.796 2.273 7.617 1.00 34.02 C ATOM 876 CG2 ILE A 52 -5.312 1.480 9.555 1.00 42.13 C ATOM 877 CD1 ILE A 52 -6.923 0.900 6.957 1.00 5.23 C ATOM 0 H ILE A 52 -5.132 4.520 6.871 1.00 52.33 H new ATOM 0 HA ILE A 52 -6.295 4.268 9.426 1.00 73.41 H new ATOM 0 HB ILE A 52 -4.617 2.364 7.724 1.00 22.43 H new ATOM 0 HG12 ILE A 52 -7.631 2.407 8.305 1.00 34.02 H new ATOM 0 HG13 ILE A 52 -6.891 3.039 6.847 1.00 34.02 H new ATOM 0 HG21 ILE A 52 -5.384 0.471 9.150 1.00 42.13 H new ATOM 0 HG22 ILE A 52 -4.344 1.609 10.039 1.00 42.13 H new ATOM 0 HG23 ILE A 52 -6.106 1.635 10.285 1.00 42.13 H new ATOM 0 HD11 ILE A 52 -7.881 0.831 6.441 1.00 5.23 H new ATOM 0 HD12 ILE A 52 -6.114 0.765 6.239 1.00 5.23 H new ATOM 0 HD13 ILE A 52 -6.865 0.123 7.719 1.00 5.23 H new ATOM 889 N THR A 53 -2.947 4.202 9.426 1.00 1.34 N ATOM 890 CA THR A 53 -1.749 4.323 10.284 1.00 10.32 C ATOM 891 C THR A 53 -1.628 5.726 10.943 1.00 31.12 C ATOM 892 O THR A 53 -1.204 5.826 12.094 1.00 34.34 O ATOM 893 CB THR A 53 -0.425 3.957 9.525 1.00 35.44 C ATOM 894 OG1 THR A 53 0.688 4.129 10.378 1.00 52.54 O ATOM 895 CG2 THR A 53 -0.188 4.779 8.263 1.00 2.23 C ATOM 0 H THR A 53 -2.740 4.143 8.429 1.00 1.34 H new ATOM 0 HA THR A 53 -1.887 3.592 11.081 1.00 10.32 H new ATOM 0 HB THR A 53 -0.541 2.916 9.223 1.00 35.44 H new ATOM 0 HG1 THR A 53 1.031 5.042 10.288 1.00 52.54 H new ATOM 0 HG21 THR A 53 0.746 4.467 7.796 1.00 2.23 H new ATOM 0 HG22 THR A 53 -1.012 4.623 7.567 1.00 2.23 H new ATOM 0 HG23 THR A 53 -0.128 5.836 8.523 1.00 2.23 H new ATOM 903 N GLU A 54 -2.032 6.798 10.225 1.00 24.30 N ATOM 904 CA GLU A 54 -1.958 8.191 10.753 1.00 30.11 C ATOM 905 C GLU A 54 -2.986 8.454 11.884 1.00 24.25 C ATOM 906 O GLU A 54 -2.684 9.197 12.826 1.00 0.40 O ATOM 907 CB GLU A 54 -2.114 9.244 9.616 1.00 63.32 C ATOM 908 CG GLU A 54 -0.903 9.331 8.663 1.00 24.45 C ATOM 909 CD GLU A 54 -1.056 10.398 7.560 1.00 50.05 C ATOM 910 OE1 GLU A 54 -1.831 10.172 6.607 1.00 23.14 O ATOM 911 OE2 GLU A 54 -0.410 11.468 7.641 1.00 51.21 O ATOM 0 H GLU A 54 -2.412 6.732 9.281 1.00 24.30 H new ATOM 0 HA GLU A 54 -0.964 8.299 11.187 1.00 30.11 H new ATOM 0 HB2 GLU A 54 -3.004 9.004 9.034 1.00 63.32 H new ATOM 0 HB3 GLU A 54 -2.281 10.224 10.064 1.00 63.32 H new ATOM 0 HG2 GLU A 54 -0.008 9.550 9.246 1.00 24.45 H new ATOM 0 HG3 GLU A 54 -0.749 8.358 8.196 1.00 24.45 H new ATOM 918 N THR A 55 -4.189 7.839 11.801 1.00 65.14 N ATOM 919 CA THR A 55 -5.204 7.943 12.894 1.00 51.33 C ATOM 920 C THR A 55 -4.800 7.085 14.126 1.00 73.44 C ATOM 921 O THR A 55 -5.255 7.335 15.246 1.00 61.40 O ATOM 922 CB THR A 55 -6.659 7.585 12.418 1.00 42.52 C ATOM 923 OG1 THR A 55 -7.599 7.859 13.474 1.00 1.51 O ATOM 924 CG2 THR A 55 -6.816 6.122 11.967 1.00 44.34 C ATOM 0 H THR A 55 -4.484 7.273 11.006 1.00 65.14 H new ATOM 0 HA THR A 55 -5.220 8.991 13.192 1.00 51.33 H new ATOM 0 HB THR A 55 -6.859 8.209 11.547 1.00 42.52 H new ATOM 0 HG1 THR A 55 -8.504 7.636 13.172 1.00 1.51 H new ATOM 0 HG21 THR A 55 -7.845 5.947 11.652 1.00 44.34 H new ATOM 0 HG22 THR A 55 -6.143 5.924 11.133 1.00 44.34 H new ATOM 0 HG23 THR A 55 -6.572 5.458 12.796 1.00 44.34 H new ATOM 932 N MET A 56 -3.928 6.075 13.897 1.00 4.15 N ATOM 933 CA MET A 56 -3.284 5.280 14.978 1.00 20.42 C ATOM 934 C MET A 56 -1.988 5.965 15.511 1.00 43.44 C ATOM 935 O MET A 56 -1.454 5.562 16.550 1.00 63.12 O ATOM 936 CB MET A 56 -2.986 3.838 14.469 1.00 44.25 C ATOM 937 CG MET A 56 -4.246 3.014 14.150 1.00 34.35 C ATOM 938 SD MET A 56 -3.867 1.338 13.573 1.00 5.25 S ATOM 939 CE MET A 56 -5.516 0.633 13.412 1.00 62.21 C ATOM 0 H MET A 56 -3.649 5.786 12.959 1.00 4.15 H new ATOM 0 HA MET A 56 -3.979 5.224 15.816 1.00 20.42 H new ATOM 0 HB2 MET A 56 -2.369 3.900 13.573 1.00 44.25 H new ATOM 0 HB3 MET A 56 -2.401 3.311 15.223 1.00 44.25 H new ATOM 0 HG2 MET A 56 -4.869 2.953 15.042 1.00 34.35 H new ATOM 0 HG3 MET A 56 -4.829 3.532 13.388 1.00 34.35 H new ATOM 0 HE1 MET A 56 -5.439 -0.397 13.064 1.00 62.21 H new ATOM 0 HE2 MET A 56 -6.016 0.653 14.380 1.00 62.21 H new ATOM 0 HE3 MET A 56 -6.092 1.216 12.694 1.00 62.21 H new ATOM 949 N GLY A 57 -1.495 6.991 14.786 1.00 33.54 N ATOM 950 CA GLY A 57 -0.351 7.816 15.232 1.00 43.44 C ATOM 951 C GLY A 57 1.032 7.256 14.869 1.00 64.15 C ATOM 952 O GLY A 57 2.033 7.600 15.508 1.00 12.45 O ATOM 0 H GLY A 57 -1.875 7.270 13.881 1.00 33.54 H new ATOM 0 HA2 GLY A 57 -0.449 8.811 14.798 1.00 43.44 H new ATOM 0 HA3 GLY A 57 -0.407 7.933 16.314 1.00 43.44 H new ATOM 956 N PHE A 58 1.088 6.383 13.855 1.00 2.51 N ATOM 957 CA PHE A 58 2.345 5.802 13.344 1.00 65.43 C ATOM 958 C PHE A 58 2.843 6.586 12.101 1.00 51.11 C ATOM 959 O PHE A 58 2.494 6.261 10.957 1.00 24.25 O ATOM 960 CB PHE A 58 2.127 4.308 12.994 1.00 30.15 C ATOM 961 CG PHE A 58 1.866 3.384 14.183 1.00 61.44 C ATOM 962 CD1 PHE A 58 2.912 2.954 14.998 1.00 65.13 C ATOM 963 CD2 PHE A 58 0.575 2.943 14.475 1.00 65.12 C ATOM 964 CE1 PHE A 58 2.671 2.107 16.068 1.00 23.44 C ATOM 965 CE2 PHE A 58 0.336 2.097 15.540 1.00 23.13 C ATOM 966 CZ PHE A 58 1.384 1.682 16.341 1.00 10.32 C ATOM 0 H PHE A 58 0.259 6.055 13.360 1.00 2.51 H new ATOM 0 HA PHE A 58 3.109 5.876 14.118 1.00 65.43 H new ATOM 0 HB2 PHE A 58 1.284 4.233 12.307 1.00 30.15 H new ATOM 0 HB3 PHE A 58 3.006 3.946 12.461 1.00 30.15 H new ATOM 0 HD1 PHE A 58 3.920 3.284 14.794 1.00 65.13 H new ATOM 0 HD2 PHE A 58 -0.250 3.268 13.859 1.00 65.12 H new ATOM 0 HE1 PHE A 58 3.490 1.778 16.690 1.00 23.44 H new ATOM 0 HE2 PHE A 58 -0.669 1.760 15.747 1.00 23.13 H new ATOM 0 HZ PHE A 58 1.197 1.027 17.179 1.00 10.32 H new ATOM 976 N SER A 59 3.645 7.635 12.343 1.00 63.14 N ATOM 977 CA SER A 59 4.244 8.464 11.263 1.00 14.33 C ATOM 978 C SER A 59 5.353 7.697 10.504 1.00 11.20 C ATOM 979 O SER A 59 5.639 7.996 9.343 1.00 2.02 O ATOM 980 CB SER A 59 4.799 9.783 11.849 1.00 44.24 C ATOM 981 OG SER A 59 3.780 10.537 12.494 1.00 10.24 O ATOM 0 H SER A 59 3.900 7.938 13.283 1.00 63.14 H new ATOM 0 HA SER A 59 3.458 8.698 10.545 1.00 14.33 H new ATOM 0 HB2 SER A 59 5.594 9.560 12.561 1.00 44.24 H new ATOM 0 HB3 SER A 59 5.243 10.378 11.051 1.00 44.24 H new ATOM 0 HG SER A 59 4.163 11.363 12.855 1.00 10.24 H new ATOM 987 N SER A 60 5.963 6.708 11.182 1.00 31.42 N ATOM 988 CA SER A 60 6.996 5.822 10.597 1.00 21.32 C ATOM 989 C SER A 60 6.401 4.886 9.515 1.00 72.43 C ATOM 990 O SER A 60 6.991 4.708 8.444 1.00 33.53 O ATOM 991 CB SER A 60 7.670 4.984 11.711 1.00 31.12 C ATOM 992 OG SER A 60 8.263 5.820 12.701 1.00 24.52 O ATOM 0 H SER A 60 5.754 6.497 12.158 1.00 31.42 H new ATOM 0 HA SER A 60 7.742 6.454 10.116 1.00 21.32 H new ATOM 0 HB2 SER A 60 6.930 4.333 12.177 1.00 31.12 H new ATOM 0 HB3 SER A 60 8.432 4.339 11.273 1.00 31.12 H new ATOM 0 HG SER A 60 8.679 5.264 13.392 1.00 24.52 H new ATOM 998 N VAL A 61 5.223 4.290 9.808 1.00 53.33 N ATOM 999 CA VAL A 61 4.496 3.428 8.841 1.00 3.22 C ATOM 1000 C VAL A 61 3.909 4.290 7.689 1.00 10.22 C ATOM 1001 O VAL A 61 3.940 3.887 6.521 1.00 31.31 O ATOM 1002 CB VAL A 61 3.344 2.603 9.530 1.00 61.23 C ATOM 1003 CG1 VAL A 61 2.680 1.605 8.543 1.00 75.43 C ATOM 1004 CG2 VAL A 61 3.832 1.879 10.809 1.00 31.25 C ATOM 0 H VAL A 61 4.753 4.389 10.708 1.00 53.33 H new ATOM 0 HA VAL A 61 5.217 2.717 8.437 1.00 3.22 H new ATOM 0 HB VAL A 61 2.584 3.323 9.833 1.00 61.23 H new ATOM 0 HG11 VAL A 61 1.891 1.056 9.057 1.00 75.43 H new ATOM 0 HG12 VAL A 61 2.253 2.153 7.703 1.00 75.43 H new ATOM 0 HG13 VAL A 61 3.429 0.904 8.175 1.00 75.43 H new ATOM 0 HG21 VAL A 61 3.005 1.323 11.250 1.00 31.25 H new ATOM 0 HG22 VAL A 61 4.637 1.190 10.552 1.00 31.25 H new ATOM 0 HG23 VAL A 61 4.199 2.614 11.526 1.00 31.25 H new ATOM 1014 N ALA A 62 3.392 5.490 8.046 1.00 64.42 N ATOM 1015 CA ALA A 62 2.908 6.491 7.062 1.00 33.30 C ATOM 1016 C ALA A 62 4.027 6.935 6.099 1.00 2.22 C ATOM 1017 O ALA A 62 3.755 7.240 4.948 1.00 32.33 O ATOM 1018 CB ALA A 62 2.323 7.721 7.765 1.00 54.00 C ATOM 0 H ALA A 62 3.299 5.791 9.016 1.00 64.42 H new ATOM 0 HA ALA A 62 2.124 6.004 6.481 1.00 33.30 H new ATOM 0 HB1 ALA A 62 1.977 8.436 7.019 1.00 54.00 H new ATOM 0 HB2 ALA A 62 1.485 7.417 8.393 1.00 54.00 H new ATOM 0 HB3 ALA A 62 3.090 8.185 8.384 1.00 54.00 H new ATOM 1024 N LYS A 63 5.275 6.979 6.613 1.00 0.53 N ATOM 1025 CA LYS A 63 6.484 7.309 5.823 1.00 74.34 C ATOM 1026 C LYS A 63 6.800 6.206 4.783 1.00 12.44 C ATOM 1027 O LYS A 63 7.145 6.516 3.637 1.00 55.24 O ATOM 1028 CB LYS A 63 7.693 7.519 6.769 1.00 55.03 C ATOM 1029 CG LYS A 63 9.030 7.852 6.062 1.00 15.13 C ATOM 1030 CD LYS A 63 10.215 7.920 7.049 1.00 71.44 C ATOM 1031 CE LYS A 63 11.566 8.157 6.351 1.00 34.21 C ATOM 1032 NZ LYS A 63 12.700 8.128 7.312 1.00 71.45 N ATOM 0 H LYS A 63 5.475 6.785 7.594 1.00 0.53 H new ATOM 0 HA LYS A 63 6.290 8.232 5.278 1.00 74.34 H new ATOM 0 HB2 LYS A 63 7.456 8.326 7.463 1.00 55.03 H new ATOM 0 HB3 LYS A 63 7.830 6.616 7.364 1.00 55.03 H new ATOM 0 HG2 LYS A 63 9.235 7.097 5.303 1.00 15.13 H new ATOM 0 HG3 LYS A 63 8.936 8.807 5.544 1.00 15.13 H new ATOM 0 HD2 LYS A 63 10.038 8.721 7.767 1.00 71.44 H new ATOM 0 HD3 LYS A 63 10.263 6.990 7.615 1.00 71.44 H new ATOM 0 HE2 LYS A 63 11.718 7.395 5.587 1.00 34.21 H new ATOM 0 HE3 LYS A 63 11.547 9.120 5.841 1.00 34.21 H new ATOM 0 HZ1 LYS A 63 13.591 8.292 6.802 1.00 71.45 H new ATOM 0 HZ2 LYS A 63 12.568 8.872 8.027 1.00 71.45 H new ATOM 0 HZ3 LYS A 63 12.734 7.200 7.780 1.00 71.45 H new ATOM 1046 N VAL A 64 6.668 4.924 5.198 1.00 62.34 N ATOM 1047 CA VAL A 64 6.813 3.759 4.280 1.00 34.01 C ATOM 1048 C VAL A 64 5.784 3.855 3.126 1.00 43.33 C ATOM 1049 O VAL A 64 6.114 3.638 1.966 1.00 1.54 O ATOM 1050 CB VAL A 64 6.634 2.378 5.034 1.00 22.30 C ATOM 1051 CG1 VAL A 64 6.795 1.166 4.074 1.00 51.13 C ATOM 1052 CG2 VAL A 64 7.614 2.260 6.227 1.00 23.22 C ATOM 0 H VAL A 64 6.461 4.666 6.163 1.00 62.34 H new ATOM 0 HA VAL A 64 7.826 3.792 3.878 1.00 34.01 H new ATOM 0 HB VAL A 64 5.615 2.359 5.422 1.00 22.30 H new ATOM 0 HG11 VAL A 64 6.665 0.239 4.633 1.00 51.13 H new ATOM 0 HG12 VAL A 64 6.044 1.224 3.286 1.00 51.13 H new ATOM 0 HG13 VAL A 64 7.790 1.184 3.629 1.00 51.13 H new ATOM 0 HG21 VAL A 64 7.467 1.302 6.725 1.00 23.22 H new ATOM 0 HG22 VAL A 64 8.639 2.327 5.864 1.00 23.22 H new ATOM 0 HG23 VAL A 64 7.426 3.068 6.934 1.00 23.22 H new ATOM 1062 N LEU A 65 4.542 4.218 3.475 1.00 24.10 N ATOM 1063 CA LEU A 65 3.452 4.398 2.497 1.00 62.44 C ATOM 1064 C LEU A 65 3.617 5.697 1.685 1.00 73.41 C ATOM 1065 O LEU A 65 3.222 5.754 0.533 1.00 50.42 O ATOM 1066 CB LEU A 65 2.080 4.348 3.216 1.00 63.54 C ATOM 1067 CG LEU A 65 1.837 3.049 4.046 1.00 33.31 C ATOM 1068 CD1 LEU A 65 0.456 3.011 4.677 1.00 13.24 C ATOM 1069 CD2 LEU A 65 2.143 1.777 3.211 1.00 23.44 C ATOM 0 H LEU A 65 4.262 4.395 4.440 1.00 24.10 H new ATOM 0 HA LEU A 65 3.499 3.577 1.782 1.00 62.44 H new ATOM 0 HB2 LEU A 65 1.999 5.209 3.879 1.00 63.54 H new ATOM 0 HB3 LEU A 65 1.289 4.443 2.472 1.00 63.54 H new ATOM 0 HG LEU A 65 2.543 3.064 4.876 1.00 33.31 H new ATOM 0 HD11 LEU A 65 0.340 2.087 5.243 1.00 13.24 H new ATOM 0 HD12 LEU A 65 0.338 3.863 5.346 1.00 13.24 H new ATOM 0 HD13 LEU A 65 -0.302 3.056 3.895 1.00 13.24 H new ATOM 0 HD21 LEU A 65 1.963 0.891 3.819 1.00 23.44 H new ATOM 0 HD22 LEU A 65 1.496 1.753 2.334 1.00 23.44 H new ATOM 0 HD23 LEU A 65 3.185 1.793 2.892 1.00 23.44 H new ATOM 1081 N HIS A 66 4.251 6.711 2.295 1.00 53.44 N ATOM 1082 CA HIS A 66 4.523 8.017 1.654 1.00 33.51 C ATOM 1083 C HIS A 66 5.524 7.861 0.482 1.00 50.15 C ATOM 1084 O HIS A 66 5.493 8.644 -0.480 1.00 62.34 O ATOM 1085 CB HIS A 66 5.036 9.032 2.709 1.00 1.11 C ATOM 1086 CG HIS A 66 5.158 10.457 2.226 1.00 14.33 C ATOM 1087 ND1 HIS A 66 6.277 10.957 1.592 1.00 70.42 N ATOM 1088 CD2 HIS A 66 4.286 11.488 2.300 1.00 10.40 C ATOM 1089 CE1 HIS A 66 6.084 12.226 1.299 1.00 72.22 C ATOM 1090 NE2 HIS A 66 4.887 12.576 1.719 1.00 13.00 N ATOM 0 H HIS A 66 4.594 6.652 3.254 1.00 53.44 H new ATOM 0 HA HIS A 66 3.593 8.403 1.236 1.00 33.51 H new ATOM 0 HB2 HIS A 66 4.362 9.012 3.566 1.00 1.11 H new ATOM 0 HB3 HIS A 66 6.012 8.701 3.063 1.00 1.11 H new ATOM 0 HD2 HIS A 66 3.298 11.460 2.736 1.00 10.40 H new ATOM 0 HE1 HIS A 66 6.790 12.872 0.798 1.00 72.22 H new ATOM 0 HE2 HIS A 66 4.474 13.504 1.628 1.00 13.00 H new ATOM 1099 N THR A 67 6.414 6.837 0.571 1.00 64.02 N ATOM 1100 CA THR A 67 7.354 6.520 -0.535 1.00 32.40 C ATOM 1101 C THR A 67 6.581 5.904 -1.716 1.00 24.40 C ATOM 1102 O THR A 67 6.899 6.173 -2.869 1.00 74.31 O ATOM 1103 CB THR A 67 8.511 5.532 -0.133 1.00 43.43 C ATOM 1104 OG1 THR A 67 8.009 4.199 0.049 1.00 11.15 O ATOM 1105 CG2 THR A 67 9.235 5.966 1.147 1.00 4.01 C ATOM 0 H THR A 67 6.499 6.227 1.384 1.00 64.02 H new ATOM 0 HA THR A 67 7.819 7.468 -0.806 1.00 32.40 H new ATOM 0 HB THR A 67 9.225 5.552 -0.956 1.00 43.43 H new ATOM 0 HG1 THR A 67 7.348 4.194 0.772 1.00 11.15 H new ATOM 0 HG21 THR A 67 10.023 5.250 1.380 1.00 4.01 H new ATOM 0 HG22 THR A 67 9.673 6.953 1.000 1.00 4.01 H new ATOM 0 HG23 THR A 67 8.524 6.003 1.972 1.00 4.01 H new ATOM 1113 N ILE A 68 5.543 5.094 -1.391 1.00 13.33 N ATOM 1114 CA ILE A 68 4.693 4.401 -2.393 1.00 63.50 C ATOM 1115 C ILE A 68 3.812 5.421 -3.151 1.00 1.45 C ATOM 1116 O ILE A 68 3.650 5.333 -4.364 1.00 32.40 O ATOM 1117 CB ILE A 68 3.755 3.309 -1.729 1.00 45.30 C ATOM 1118 CG1 ILE A 68 4.518 2.470 -0.649 1.00 2.21 C ATOM 1119 CG2 ILE A 68 3.111 2.388 -2.797 1.00 20.11 C ATOM 1120 CD1 ILE A 68 5.837 1.876 -1.094 1.00 14.53 C ATOM 0 H ILE A 68 5.271 4.902 -0.427 1.00 13.33 H new ATOM 0 HA ILE A 68 5.369 3.899 -3.085 1.00 63.50 H new ATOM 0 HB ILE A 68 2.951 3.843 -1.222 1.00 45.30 H new ATOM 0 HG12 ILE A 68 4.700 3.106 0.217 1.00 2.21 H new ATOM 0 HG13 ILE A 68 3.868 1.660 -0.318 1.00 2.21 H new ATOM 0 HG21 ILE A 68 2.475 1.652 -2.306 1.00 20.11 H new ATOM 0 HG22 ILE A 68 2.511 2.988 -3.481 1.00 20.11 H new ATOM 0 HG23 ILE A 68 3.894 1.876 -3.356 1.00 20.11 H new ATOM 0 HD11 ILE A 68 6.280 1.316 -0.270 1.00 14.53 H new ATOM 0 HD12 ILE A 68 5.669 1.207 -1.938 1.00 14.53 H new ATOM 0 HD13 ILE A 68 6.514 2.676 -1.394 1.00 14.53 H new ATOM 1132 N MET A 69 3.259 6.384 -2.393 1.00 40.51 N ATOM 1133 CA MET A 69 2.457 7.510 -2.931 1.00 52.11 C ATOM 1134 C MET A 69 3.268 8.291 -3.988 1.00 54.34 C ATOM 1135 O MET A 69 2.794 8.524 -5.093 1.00 34.33 O ATOM 1136 CB MET A 69 2.039 8.456 -1.768 1.00 2.34 C ATOM 1137 CG MET A 69 1.227 7.779 -0.653 1.00 32.14 C ATOM 1138 SD MET A 69 -0.533 7.611 -1.017 1.00 51.35 S ATOM 1139 CE MET A 69 -1.103 9.282 -0.708 1.00 61.25 C ATOM 0 H MET A 69 3.354 6.408 -1.378 1.00 40.51 H new ATOM 0 HA MET A 69 1.562 7.112 -3.409 1.00 52.11 H new ATOM 0 HB2 MET A 69 2.937 8.892 -1.331 1.00 2.34 H new ATOM 0 HB3 MET A 69 1.453 9.278 -2.179 1.00 2.34 H new ATOM 0 HG2 MET A 69 1.644 6.790 -0.465 1.00 32.14 H new ATOM 0 HG3 MET A 69 1.343 8.354 0.266 1.00 32.14 H new ATOM 0 HE1 MET A 69 -1.640 9.314 0.240 1.00 61.25 H new ATOM 0 HE2 MET A 69 -0.247 9.956 -0.663 1.00 61.25 H new ATOM 0 HE3 MET A 69 -1.769 9.594 -1.513 1.00 61.25 H new ATOM 1149 N ASN A 70 4.521 8.629 -3.630 1.00 2.44 N ATOM 1150 CA ASN A 70 5.466 9.356 -4.517 1.00 33.42 C ATOM 1151 C ASN A 70 5.911 8.489 -5.719 1.00 40.51 C ATOM 1152 O ASN A 70 6.093 8.993 -6.832 1.00 32.03 O ATOM 1153 CB ASN A 70 6.712 9.777 -3.706 1.00 1.24 C ATOM 1154 CG ASN A 70 7.616 10.766 -4.457 1.00 24.31 C ATOM 1155 OD1 ASN A 70 8.597 10.386 -5.095 1.00 73.51 O ATOM 1156 ND2 ASN A 70 7.259 12.039 -4.430 1.00 72.43 N ATOM 0 H ASN A 70 4.914 8.407 -2.715 1.00 2.44 H new ATOM 0 HA ASN A 70 4.949 10.233 -4.906 1.00 33.42 H new ATOM 0 HB2 ASN A 70 6.391 10.229 -2.767 1.00 1.24 H new ATOM 0 HB3 ASN A 70 7.289 8.888 -3.451 1.00 1.24 H new ATOM 0 HD21 ASN A 70 7.801 12.732 -4.946 1.00 72.43 H new ATOM 0 HD22 ASN A 70 6.441 12.328 -3.893 1.00 72.43 H new ATOM 1163 N LEU A 71 6.098 7.189 -5.452 1.00 65.24 N ATOM 1164 CA LEU A 71 6.586 6.195 -6.434 1.00 24.43 C ATOM 1165 C LEU A 71 5.597 6.083 -7.623 1.00 72.44 C ATOM 1166 O LEU A 71 5.986 6.194 -8.794 1.00 3.23 O ATOM 1167 CB LEU A 71 6.775 4.829 -5.683 1.00 31.34 C ATOM 1168 CG LEU A 71 7.625 3.714 -6.376 1.00 32.15 C ATOM 1169 CD1 LEU A 71 8.136 2.667 -5.344 1.00 0.11 C ATOM 1170 CD2 LEU A 71 6.840 3.000 -7.500 1.00 50.35 C ATOM 0 H LEU A 71 5.913 6.786 -4.533 1.00 65.24 H new ATOM 0 HA LEU A 71 7.543 6.501 -6.857 1.00 24.43 H new ATOM 0 HB2 LEU A 71 7.230 5.041 -4.716 1.00 31.34 H new ATOM 0 HB3 LEU A 71 5.785 4.418 -5.486 1.00 31.34 H new ATOM 0 HG LEU A 71 8.483 4.214 -6.826 1.00 32.15 H new ATOM 0 HD11 LEU A 71 8.723 1.906 -5.858 1.00 0.11 H new ATOM 0 HD12 LEU A 71 8.758 3.164 -4.599 1.00 0.11 H new ATOM 0 HD13 LEU A 71 7.285 2.197 -4.851 1.00 0.11 H new ATOM 0 HD21 LEU A 71 7.469 2.234 -7.953 1.00 50.35 H new ATOM 0 HD22 LEU A 71 5.947 2.536 -7.082 1.00 50.35 H new ATOM 0 HD23 LEU A 71 6.549 3.726 -8.259 1.00 50.35 H new ATOM 1182 N VAL A 72 4.321 5.879 -7.280 1.00 30.43 N ATOM 1183 CA VAL A 72 3.213 5.792 -8.245 1.00 54.20 C ATOM 1184 C VAL A 72 2.932 7.170 -8.910 1.00 2.24 C ATOM 1185 O VAL A 72 2.713 7.247 -10.123 1.00 64.00 O ATOM 1186 CB VAL A 72 1.910 5.253 -7.546 1.00 14.35 C ATOM 1187 CG1 VAL A 72 0.764 5.086 -8.561 1.00 21.52 C ATOM 1188 CG2 VAL A 72 2.181 3.923 -6.796 1.00 71.44 C ATOM 0 H VAL A 72 4.022 5.768 -6.311 1.00 30.43 H new ATOM 0 HA VAL A 72 3.510 5.092 -9.026 1.00 54.20 H new ATOM 0 HB VAL A 72 1.603 5.995 -6.809 1.00 14.35 H new ATOM 0 HG11 VAL A 72 -0.123 4.712 -8.050 1.00 21.52 H new ATOM 0 HG12 VAL A 72 0.540 6.050 -9.019 1.00 21.52 H new ATOM 0 HG13 VAL A 72 1.063 4.378 -9.334 1.00 21.52 H new ATOM 0 HG21 VAL A 72 1.261 3.577 -6.324 1.00 71.44 H new ATOM 0 HG22 VAL A 72 2.531 3.171 -7.503 1.00 71.44 H new ATOM 0 HG23 VAL A 72 2.942 4.084 -6.032 1.00 71.44 H new ATOM 1198 N ASP A 73 2.967 8.251 -8.097 1.00 22.31 N ATOM 1199 CA ASP A 73 2.765 9.656 -8.566 1.00 31.12 C ATOM 1200 C ASP A 73 3.778 10.035 -9.680 1.00 25.45 C ATOM 1201 O ASP A 73 3.435 10.733 -10.643 1.00 53.14 O ATOM 1202 CB ASP A 73 2.912 10.622 -7.357 1.00 50.10 C ATOM 1203 CG ASP A 73 2.477 12.069 -7.643 1.00 2.52 C ATOM 1204 OD1 ASP A 73 1.282 12.394 -7.449 1.00 34.15 O ATOM 1205 OD2 ASP A 73 3.320 12.892 -8.061 1.00 5.21 O ATOM 0 H ASP A 73 3.136 8.181 -7.094 1.00 22.31 H new ATOM 0 HA ASP A 73 1.764 9.740 -8.990 1.00 31.12 H new ATOM 0 HB2 ASP A 73 2.322 10.236 -6.525 1.00 50.10 H new ATOM 0 HB3 ASP A 73 3.953 10.626 -7.035 1.00 50.10 H new ATOM 1210 N LYS A 74 5.017 9.544 -9.519 1.00 63.42 N ATOM 1211 CA LYS A 74 6.126 9.760 -10.470 1.00 63.23 C ATOM 1212 C LYS A 74 5.874 9.024 -11.815 1.00 60.00 C ATOM 1213 O LYS A 74 6.281 9.498 -12.870 1.00 31.33 O ATOM 1214 CB LYS A 74 7.450 9.297 -9.826 1.00 44.02 C ATOM 1215 CG LYS A 74 8.705 9.778 -10.576 1.00 11.44 C ATOM 1216 CD LYS A 74 10.018 9.339 -9.909 1.00 60.44 C ATOM 1217 CE LYS A 74 10.212 9.922 -8.497 1.00 55.15 C ATOM 1218 NZ LYS A 74 11.523 9.533 -7.915 1.00 33.10 N ATOM 0 H LYS A 74 5.283 8.977 -8.714 1.00 63.42 H new ATOM 0 HA LYS A 74 6.190 10.824 -10.696 1.00 63.23 H new ATOM 0 HB2 LYS A 74 7.490 9.660 -8.799 1.00 44.02 H new ATOM 0 HB3 LYS A 74 7.460 8.208 -9.780 1.00 44.02 H new ATOM 0 HG2 LYS A 74 8.679 9.396 -11.596 1.00 11.44 H new ATOM 0 HG3 LYS A 74 8.685 10.866 -10.642 1.00 11.44 H new ATOM 0 HD2 LYS A 74 10.041 8.251 -9.851 1.00 60.44 H new ATOM 0 HD3 LYS A 74 10.855 9.643 -10.537 1.00 60.44 H new ATOM 0 HE2 LYS A 74 10.141 11.009 -8.540 1.00 55.15 H new ATOM 0 HE3 LYS A 74 9.409 9.576 -7.847 1.00 55.15 H new ATOM 0 HZ1 LYS A 74 11.617 9.944 -6.964 1.00 33.10 H new ATOM 0 HZ2 LYS A 74 11.581 8.497 -7.851 1.00 33.10 H new ATOM 0 HZ3 LYS A 74 12.291 9.885 -8.522 1.00 33.10 H new ATOM 1232 N MET A 75 5.192 7.869 -11.755 1.00 14.35 N ATOM 1233 CA MET A 75 4.833 7.074 -12.958 1.00 22.01 C ATOM 1234 C MET A 75 3.797 7.800 -13.863 1.00 11.35 C ATOM 1235 O MET A 75 3.866 7.689 -15.091 1.00 51.41 O ATOM 1236 CB MET A 75 4.273 5.694 -12.537 1.00 45.24 C ATOM 1237 CG MET A 75 5.268 4.778 -11.818 1.00 73.44 C ATOM 1238 SD MET A 75 4.501 3.204 -11.386 1.00 2.35 S ATOM 1239 CE MET A 75 5.900 2.206 -10.895 1.00 40.31 C ATOM 0 H MET A 75 4.872 7.455 -10.880 1.00 14.35 H new ATOM 0 HA MET A 75 5.747 6.946 -13.539 1.00 22.01 H new ATOM 0 HB2 MET A 75 3.413 5.852 -11.886 1.00 45.24 H new ATOM 0 HB3 MET A 75 3.909 5.181 -13.427 1.00 45.24 H new ATOM 0 HG2 MET A 75 6.133 4.602 -12.457 1.00 73.44 H new ATOM 0 HG3 MET A 75 5.633 5.269 -10.916 1.00 73.44 H new ATOM 0 HE1 MET A 75 5.757 1.183 -11.244 1.00 40.31 H new ATOM 0 HE2 MET A 75 6.810 2.615 -11.333 1.00 40.31 H new ATOM 0 HE3 MET A 75 5.987 2.210 -9.808 1.00 40.31 H new ATOM 1249 N LEU A 76 2.851 8.535 -13.226 1.00 4.23 N ATOM 1250 CA LEU A 76 1.704 9.218 -13.909 1.00 1.14 C ATOM 1251 C LEU A 76 2.099 10.126 -15.119 1.00 63.45 C ATOM 1252 O LEU A 76 1.278 10.333 -16.017 1.00 11.41 O ATOM 1253 CB LEU A 76 0.862 10.048 -12.871 1.00 14.11 C ATOM 1254 CG LEU A 76 -0.419 9.357 -12.275 1.00 41.22 C ATOM 1255 CD1 LEU A 76 -1.407 8.936 -13.387 1.00 42.53 C ATOM 1256 CD2 LEU A 76 -0.061 8.163 -11.365 1.00 15.31 C ATOM 0 H LEU A 76 2.856 8.676 -12.216 1.00 4.23 H new ATOM 0 HA LEU A 76 1.107 8.410 -14.332 1.00 1.14 H new ATOM 0 HB2 LEU A 76 1.517 10.319 -12.043 1.00 14.11 H new ATOM 0 HB3 LEU A 76 0.554 10.977 -13.351 1.00 14.11 H new ATOM 0 HG LEU A 76 -0.918 10.100 -11.652 1.00 41.22 H new ATOM 0 HD11 LEU A 76 -2.280 8.462 -12.938 1.00 42.53 H new ATOM 0 HD12 LEU A 76 -1.720 9.817 -13.948 1.00 42.53 H new ATOM 0 HD13 LEU A 76 -0.918 8.232 -14.061 1.00 42.53 H new ATOM 0 HD21 LEU A 76 -0.975 7.716 -10.975 1.00 15.31 H new ATOM 0 HD22 LEU A 76 0.490 7.419 -11.941 1.00 15.31 H new ATOM 0 HD23 LEU A 76 0.556 8.510 -10.536 1.00 15.31 H new ATOM 1268 N ASN A 77 3.322 10.685 -15.135 1.00 73.04 N ATOM 1269 CA ASN A 77 3.782 11.576 -16.247 1.00 14.33 C ATOM 1270 C ASN A 77 4.370 10.774 -17.443 1.00 22.40 C ATOM 1271 O ASN A 77 4.590 9.561 -17.356 1.00 72.41 O ATOM 1272 CB ASN A 77 4.818 12.611 -15.736 1.00 22.05 C ATOM 1273 CG ASN A 77 6.008 11.964 -15.058 1.00 72.11 C ATOM 1274 OD1 ASN A 77 6.862 11.410 -15.722 1.00 43.21 O ATOM 1275 ND2 ASN A 77 6.102 12.065 -13.751 1.00 52.33 N ATOM 0 H ASN A 77 4.016 10.545 -14.401 1.00 73.04 H new ATOM 0 HA ASN A 77 2.900 12.105 -16.609 1.00 14.33 H new ATOM 0 HB2 ASN A 77 5.167 13.214 -16.575 1.00 22.05 H new ATOM 0 HB3 ASN A 77 4.331 13.290 -15.036 1.00 22.05 H new ATOM 0 HD21 ASN A 77 6.909 11.672 -13.266 1.00 52.33 H new ATOM 0 HD22 ASN A 77 5.368 12.536 -13.222 1.00 52.33 H new ATOM 1282 N SER A 78 4.635 11.489 -18.555 1.00 24.03 N ATOM 1283 CA SER A 78 5.230 10.910 -19.785 1.00 53.13 C ATOM 1284 C SER A 78 6.769 10.740 -19.668 1.00 74.31 C ATOM 1285 O SER A 78 7.365 9.939 -20.399 1.00 35.34 O ATOM 1286 CB SER A 78 4.897 11.821 -20.997 1.00 53.35 C ATOM 1287 OG SER A 78 5.468 11.336 -22.206 1.00 31.41 O ATOM 0 H SER A 78 4.443 12.488 -18.629 1.00 24.03 H new ATOM 0 HA SER A 78 4.801 9.918 -19.926 1.00 53.13 H new ATOM 0 HB2 SER A 78 3.815 11.891 -21.110 1.00 53.35 H new ATOM 0 HB3 SER A 78 5.263 12.829 -20.803 1.00 53.35 H new ATOM 0 HG SER A 78 5.233 11.937 -22.943 1.00 31.41 H new ATOM 1293 N GLU A 79 7.403 11.482 -18.740 1.00 43.32 N ATOM 1294 CA GLU A 79 8.886 11.602 -18.678 1.00 13.05 C ATOM 1295 C GLU A 79 9.553 10.468 -17.839 1.00 3.30 C ATOM 1296 O GLU A 79 10.783 10.312 -17.857 1.00 52.14 O ATOM 1297 CB GLU A 79 9.271 13.022 -18.147 1.00 75.15 C ATOM 1298 CG GLU A 79 9.305 13.200 -16.617 1.00 64.35 C ATOM 1299 CD GLU A 79 9.783 14.595 -16.187 1.00 52.32 C ATOM 1300 OE1 GLU A 79 11.010 14.846 -16.222 1.00 21.32 O ATOM 1301 OE2 GLU A 79 8.942 15.454 -15.844 1.00 52.32 O ATOM 0 H GLU A 79 6.916 12.012 -18.017 1.00 43.32 H new ATOM 0 HA GLU A 79 9.276 11.480 -19.689 1.00 13.05 H new ATOM 0 HB2 GLU A 79 10.254 13.278 -18.542 1.00 75.15 H new ATOM 0 HB3 GLU A 79 8.564 13.743 -18.558 1.00 75.15 H new ATOM 0 HG2 GLU A 79 8.308 13.023 -16.214 1.00 64.35 H new ATOM 0 HG3 GLU A 79 9.963 12.447 -16.183 1.00 64.35 H new ATOM 1308 N ILE A 80 8.736 9.683 -17.109 1.00 62.42 N ATOM 1309 CA ILE A 80 9.208 8.563 -16.248 1.00 23.11 C ATOM 1310 C ILE A 80 8.627 7.216 -16.742 1.00 21.54 C ATOM 1311 O ILE A 80 7.407 7.078 -16.903 1.00 52.30 O ATOM 1312 CB ILE A 80 8.774 8.809 -14.755 1.00 1.14 C ATOM 1313 CG1 ILE A 80 9.281 10.208 -14.247 1.00 53.11 C ATOM 1314 CG2 ILE A 80 9.224 7.658 -13.817 1.00 1.32 C ATOM 1315 CD1 ILE A 80 10.744 10.286 -13.829 1.00 35.21 C ATOM 0 H ILE A 80 7.723 9.803 -17.095 1.00 62.42 H new ATOM 0 HA ILE A 80 10.296 8.520 -16.306 1.00 23.11 H new ATOM 0 HB ILE A 80 7.684 8.819 -14.729 1.00 1.14 H new ATOM 0 HG12 ILE A 80 9.111 10.940 -15.036 1.00 53.11 H new ATOM 0 HG13 ILE A 80 8.666 10.507 -13.398 1.00 53.11 H new ATOM 0 HG21 ILE A 80 8.902 7.872 -12.798 1.00 1.32 H new ATOM 0 HG22 ILE A 80 8.776 6.721 -14.150 1.00 1.32 H new ATOM 0 HG23 ILE A 80 10.310 7.571 -13.844 1.00 1.32 H new ATOM 0 HD11 ILE A 80 10.974 11.299 -13.498 1.00 35.21 H new ATOM 0 HD12 ILE A 80 10.927 9.587 -13.013 1.00 35.21 H new ATOM 0 HD13 ILE A 80 11.379 10.028 -14.677 1.00 35.21 H new ATOM 1327 N LYS A 81 9.508 6.226 -16.980 1.00 51.04 N ATOM 1328 CA LYS A 81 9.104 4.861 -17.408 1.00 40.53 C ATOM 1329 C LYS A 81 9.034 3.898 -16.206 1.00 4.41 C ATOM 1330 O LYS A 81 9.732 4.082 -15.208 1.00 61.52 O ATOM 1331 CB LYS A 81 10.069 4.327 -18.496 1.00 65.22 C ATOM 1332 CG LYS A 81 10.011 5.134 -19.811 1.00 4.14 C ATOM 1333 CD LYS A 81 11.019 4.642 -20.870 1.00 22.20 C ATOM 1334 CE LYS A 81 10.989 5.499 -22.148 1.00 52.34 C ATOM 1335 NZ LYS A 81 11.999 5.053 -23.146 1.00 15.42 N ATOM 0 H LYS A 81 10.517 6.343 -16.883 1.00 51.04 H new ATOM 0 HA LYS A 81 8.104 4.921 -17.838 1.00 40.53 H new ATOM 0 HB2 LYS A 81 11.088 4.347 -18.110 1.00 65.22 H new ATOM 0 HB3 LYS A 81 9.828 3.285 -18.706 1.00 65.22 H new ATOM 0 HG2 LYS A 81 9.003 5.074 -20.222 1.00 4.14 H new ATOM 0 HG3 LYS A 81 10.205 6.184 -19.594 1.00 4.14 H new ATOM 0 HD2 LYS A 81 12.024 4.659 -20.447 1.00 22.20 H new ATOM 0 HD3 LYS A 81 10.798 3.606 -21.125 1.00 22.20 H new ATOM 0 HE2 LYS A 81 9.995 5.451 -22.593 1.00 52.34 H new ATOM 0 HE3 LYS A 81 11.172 6.542 -21.889 1.00 52.34 H new ATOM 0 HZ1 LYS A 81 11.943 5.658 -23.990 1.00 15.42 H new ATOM 0 HZ2 LYS A 81 12.950 5.123 -22.732 1.00 15.42 H new ATOM 0 HZ3 LYS A 81 11.810 4.066 -23.414 1.00 15.42 H new ATOM 1349 N ILE A 82 8.189 2.861 -16.334 1.00 1.02 N ATOM 1350 CA ILE A 82 7.834 1.943 -15.237 1.00 14.12 C ATOM 1351 C ILE A 82 8.711 0.672 -15.302 1.00 62.01 C ATOM 1352 O ILE A 82 8.589 -0.134 -16.234 1.00 33.23 O ATOM 1353 CB ILE A 82 6.284 1.577 -15.275 1.00 13.41 C ATOM 1354 CG1 ILE A 82 5.371 2.827 -15.008 1.00 54.14 C ATOM 1355 CG2 ILE A 82 5.937 0.460 -14.261 1.00 72.00 C ATOM 1356 CD1 ILE A 82 5.316 3.861 -16.120 1.00 65.24 C ATOM 0 H ILE A 82 7.727 2.633 -17.214 1.00 1.02 H new ATOM 0 HA ILE A 82 8.027 2.445 -14.289 1.00 14.12 H new ATOM 0 HB ILE A 82 6.085 1.216 -16.284 1.00 13.41 H new ATOM 0 HG12 ILE A 82 4.357 2.477 -14.814 1.00 54.14 H new ATOM 0 HG13 ILE A 82 5.718 3.318 -14.099 1.00 54.14 H new ATOM 0 HG21 ILE A 82 4.871 0.237 -14.316 1.00 72.00 H new ATOM 0 HG22 ILE A 82 6.508 -0.438 -14.499 1.00 72.00 H new ATOM 0 HG23 ILE A 82 6.187 0.793 -13.254 1.00 72.00 H new ATOM 0 HD11 ILE A 82 4.657 4.677 -15.825 1.00 65.24 H new ATOM 0 HD12 ILE A 82 6.317 4.251 -16.304 1.00 65.24 H new ATOM 0 HD13 ILE A 82 4.935 3.397 -17.030 1.00 65.24 H new ATOM 1368 N THR A 83 9.607 0.527 -14.308 1.00 55.22 N ATOM 1369 CA THR A 83 10.544 -0.612 -14.215 1.00 74.44 C ATOM 1370 C THR A 83 9.824 -1.877 -13.679 1.00 13.10 C ATOM 1371 O THR A 83 9.174 -1.812 -12.635 1.00 52.54 O ATOM 1372 CB THR A 83 11.762 -0.269 -13.280 1.00 1.53 C ATOM 1373 OG1 THR A 83 12.436 0.912 -13.746 1.00 55.30 O ATOM 1374 CG2 THR A 83 12.779 -1.429 -13.162 1.00 54.43 C ATOM 0 H THR A 83 9.703 1.197 -13.545 1.00 55.22 H new ATOM 0 HA THR A 83 10.916 -0.811 -15.220 1.00 74.44 H new ATOM 0 HB THR A 83 11.347 -0.097 -12.287 1.00 1.53 H new ATOM 0 HG1 THR A 83 13.190 1.114 -13.153 1.00 55.30 H new ATOM 0 HG21 THR A 83 13.596 -1.131 -12.504 1.00 54.43 H new ATOM 0 HG22 THR A 83 12.283 -2.308 -12.750 1.00 54.43 H new ATOM 0 HG23 THR A 83 13.176 -1.666 -14.149 1.00 54.43 H new ATOM 1382 N SER A 84 9.987 -3.021 -14.374 1.00 61.12 N ATOM 1383 CA SER A 84 9.279 -4.294 -14.054 1.00 2.13 C ATOM 1384 C SER A 84 9.619 -4.845 -12.643 1.00 63.55 C ATOM 1385 O SER A 84 8.732 -5.280 -11.901 1.00 4.42 O ATOM 1386 CB SER A 84 9.611 -5.361 -15.116 1.00 22.11 C ATOM 1387 OG SER A 84 11.005 -5.629 -15.164 1.00 62.15 O ATOM 0 H SER A 84 10.613 -3.096 -15.176 1.00 61.12 H new ATOM 0 HA SER A 84 8.213 -4.067 -14.060 1.00 2.13 H new ATOM 0 HB2 SER A 84 9.070 -6.280 -14.892 1.00 22.11 H new ATOM 0 HB3 SER A 84 9.270 -5.021 -16.094 1.00 22.11 H new ATOM 0 HG SER A 84 11.184 -6.310 -15.845 1.00 62.15 H new ATOM 1393 N ASP A 85 10.910 -4.819 -12.291 1.00 12.44 N ATOM 1394 CA ASP A 85 11.395 -5.313 -10.980 1.00 20.20 C ATOM 1395 C ASP A 85 11.078 -4.316 -9.837 1.00 64.42 C ATOM 1396 O ASP A 85 11.057 -4.692 -8.659 1.00 3.11 O ATOM 1397 CB ASP A 85 12.906 -5.590 -11.053 1.00 15.22 C ATOM 1398 CG ASP A 85 13.267 -6.565 -12.186 1.00 72.11 C ATOM 1399 OD1 ASP A 85 13.416 -6.111 -13.343 1.00 43.01 O ATOM 1400 OD2 ASP A 85 13.363 -7.788 -11.937 1.00 22.55 O ATOM 0 H ASP A 85 11.649 -4.460 -12.895 1.00 12.44 H new ATOM 0 HA ASP A 85 10.870 -6.241 -10.754 1.00 20.20 H new ATOM 0 HB2 ASP A 85 13.438 -4.651 -11.202 1.00 15.22 H new ATOM 0 HB3 ASP A 85 13.244 -6.001 -10.102 1.00 15.22 H new ATOM 1405 N LEU A 86 10.845 -3.042 -10.198 1.00 4.23 N ATOM 1406 CA LEU A 86 10.377 -2.014 -9.243 1.00 52.44 C ATOM 1407 C LEU A 86 8.891 -2.233 -8.879 1.00 32.43 C ATOM 1408 O LEU A 86 8.482 -1.971 -7.747 1.00 71.42 O ATOM 1409 CB LEU A 86 10.564 -0.590 -9.816 1.00 33.25 C ATOM 1410 CG LEU A 86 10.067 0.577 -8.899 1.00 10.14 C ATOM 1411 CD1 LEU A 86 11.017 0.822 -7.712 1.00 25.13 C ATOM 1412 CD2 LEU A 86 9.812 1.868 -9.708 1.00 23.31 C ATOM 0 H LEU A 86 10.973 -2.695 -11.149 1.00 4.23 H new ATOM 0 HA LEU A 86 10.982 -2.111 -8.342 1.00 52.44 H new ATOM 0 HB2 LEU A 86 11.623 -0.438 -10.026 1.00 33.25 H new ATOM 0 HB3 LEU A 86 10.038 -0.529 -10.769 1.00 33.25 H new ATOM 0 HG LEU A 86 9.111 0.267 -8.478 1.00 10.14 H new ATOM 0 HD11 LEU A 86 10.634 1.640 -7.102 1.00 25.13 H new ATOM 0 HD12 LEU A 86 11.083 -0.082 -7.106 1.00 25.13 H new ATOM 0 HD13 LEU A 86 12.007 1.081 -8.086 1.00 25.13 H new ATOM 0 HD21 LEU A 86 9.468 2.656 -9.037 1.00 23.31 H new ATOM 0 HD22 LEU A 86 10.736 2.182 -10.193 1.00 23.31 H new ATOM 0 HD23 LEU A 86 9.051 1.679 -10.465 1.00 23.31 H new ATOM 1424 N ILE A 87 8.096 -2.707 -9.856 1.00 63.22 N ATOM 1425 CA ILE A 87 6.709 -3.170 -9.616 1.00 31.12 C ATOM 1426 C ILE A 87 6.719 -4.289 -8.538 1.00 74.13 C ATOM 1427 O ILE A 87 5.924 -4.279 -7.596 1.00 32.12 O ATOM 1428 CB ILE A 87 6.060 -3.709 -10.948 1.00 20.30 C ATOM 1429 CG1 ILE A 87 6.101 -2.635 -12.075 1.00 50.30 C ATOM 1430 CG2 ILE A 87 4.613 -4.203 -10.739 1.00 2.21 C ATOM 1431 CD1 ILE A 87 5.645 -3.135 -13.436 1.00 31.41 C ATOM 0 H ILE A 87 8.391 -2.781 -10.830 1.00 63.22 H new ATOM 0 HA ILE A 87 6.113 -2.328 -9.264 1.00 31.12 H new ATOM 0 HB ILE A 87 6.661 -4.564 -11.257 1.00 20.30 H new ATOM 0 HG12 ILE A 87 5.473 -1.794 -11.781 1.00 50.30 H new ATOM 0 HG13 ILE A 87 7.120 -2.257 -12.163 1.00 50.30 H new ATOM 0 HG21 ILE A 87 4.211 -4.564 -11.686 1.00 2.21 H new ATOM 0 HG22 ILE A 87 4.607 -5.013 -10.010 1.00 2.21 H new ATOM 0 HG23 ILE A 87 3.997 -3.381 -10.373 1.00 2.21 H new ATOM 0 HD11 ILE A 87 5.705 -2.323 -14.161 1.00 31.41 H new ATOM 0 HD12 ILE A 87 6.287 -3.956 -13.756 1.00 31.41 H new ATOM 0 HD13 ILE A 87 4.615 -3.485 -13.369 1.00 31.41 H new ATOM 1443 N ASP A 88 7.708 -5.201 -8.656 1.00 52.32 N ATOM 1444 CA ASP A 88 7.911 -6.301 -7.689 1.00 44.11 C ATOM 1445 C ASP A 88 8.328 -5.741 -6.300 1.00 62.42 C ATOM 1446 O ASP A 88 8.021 -6.333 -5.255 1.00 64.44 O ATOM 1447 CB ASP A 88 9.006 -7.251 -8.227 1.00 4.20 C ATOM 1448 CG ASP A 88 9.034 -8.626 -7.532 1.00 30.45 C ATOM 1449 OD1 ASP A 88 8.334 -9.551 -7.991 1.00 42.14 O ATOM 1450 OD2 ASP A 88 9.740 -8.780 -6.512 1.00 31.43 O ATOM 0 H ASP A 88 8.384 -5.196 -9.420 1.00 52.32 H new ATOM 0 HA ASP A 88 6.975 -6.847 -7.568 1.00 44.11 H new ATOM 0 HB2 ASP A 88 8.853 -7.398 -9.296 1.00 4.20 H new ATOM 0 HB3 ASP A 88 9.979 -6.774 -8.107 1.00 4.20 H new ATOM 1455 N LYS A 89 9.041 -4.590 -6.321 1.00 45.22 N ATOM 1456 CA LYS A 89 9.519 -3.905 -5.104 1.00 24.23 C ATOM 1457 C LYS A 89 8.338 -3.322 -4.295 1.00 71.25 C ATOM 1458 O LYS A 89 8.353 -3.354 -3.066 1.00 44.32 O ATOM 1459 CB LYS A 89 10.518 -2.773 -5.475 1.00 24.31 C ATOM 1460 CG LYS A 89 11.361 -2.236 -4.292 1.00 61.30 C ATOM 1461 CD LYS A 89 12.355 -1.124 -4.715 1.00 25.11 C ATOM 1462 CE LYS A 89 13.312 -1.564 -5.839 1.00 73.05 C ATOM 1463 NZ LYS A 89 14.295 -0.503 -6.183 1.00 2.23 N ATOM 0 H LYS A 89 9.299 -4.113 -7.185 1.00 45.22 H new ATOM 0 HA LYS A 89 10.030 -4.641 -4.484 1.00 24.23 H new ATOM 0 HB2 LYS A 89 11.194 -3.143 -6.246 1.00 24.31 H new ATOM 0 HB3 LYS A 89 9.960 -1.944 -5.911 1.00 24.31 H new ATOM 0 HG2 LYS A 89 10.693 -1.846 -3.524 1.00 61.30 H new ATOM 0 HG3 LYS A 89 11.915 -3.061 -3.844 1.00 61.30 H new ATOM 0 HD2 LYS A 89 11.794 -0.250 -5.045 1.00 25.11 H new ATOM 0 HD3 LYS A 89 12.940 -0.818 -3.847 1.00 25.11 H new ATOM 0 HE2 LYS A 89 13.844 -2.464 -5.530 1.00 73.05 H new ATOM 0 HE3 LYS A 89 12.734 -1.824 -6.726 1.00 73.05 H new ATOM 0 HZ1 LYS A 89 14.919 -0.841 -6.943 1.00 2.23 H new ATOM 0 HZ2 LYS A 89 13.790 0.348 -6.503 1.00 2.23 H new ATOM 0 HZ3 LYS A 89 14.865 -0.273 -5.344 1.00 2.23 H new ATOM 1477 N VAL A 90 7.312 -2.803 -5.014 1.00 61.54 N ATOM 1478 CA VAL A 90 6.084 -2.248 -4.391 1.00 42.45 C ATOM 1479 C VAL A 90 5.331 -3.354 -3.594 1.00 20.52 C ATOM 1480 O VAL A 90 4.815 -3.100 -2.503 1.00 2.33 O ATOM 1481 CB VAL A 90 5.111 -1.586 -5.452 1.00 45.43 C ATOM 1482 CG1 VAL A 90 3.962 -0.808 -4.763 1.00 14.11 C ATOM 1483 CG2 VAL A 90 5.874 -0.662 -6.434 1.00 5.34 C ATOM 0 H VAL A 90 7.311 -2.757 -6.033 1.00 61.54 H new ATOM 0 HA VAL A 90 6.404 -1.461 -3.708 1.00 42.45 H new ATOM 0 HB VAL A 90 4.674 -2.402 -6.028 1.00 45.43 H new ATOM 0 HG11 VAL A 90 3.315 -0.368 -5.521 1.00 14.11 H new ATOM 0 HG12 VAL A 90 3.381 -1.491 -4.142 1.00 14.11 H new ATOM 0 HG13 VAL A 90 4.380 -0.018 -4.140 1.00 14.11 H new ATOM 0 HG21 VAL A 90 5.171 -0.228 -7.145 1.00 5.34 H new ATOM 0 HG22 VAL A 90 6.365 0.135 -5.876 1.00 5.34 H new ATOM 0 HG23 VAL A 90 6.623 -1.243 -6.972 1.00 5.34 H new ATOM 1493 N LYS A 91 5.305 -4.593 -4.148 1.00 23.13 N ATOM 1494 CA LYS A 91 4.797 -5.791 -3.423 1.00 3.55 C ATOM 1495 C LYS A 91 5.599 -6.059 -2.127 1.00 5.12 C ATOM 1496 O LYS A 91 5.007 -6.344 -1.087 1.00 34.35 O ATOM 1497 CB LYS A 91 4.838 -7.064 -4.316 1.00 34.44 C ATOM 1498 CG LYS A 91 3.768 -7.123 -5.417 1.00 72.20 C ATOM 1499 CD LYS A 91 3.685 -8.491 -6.150 1.00 65.33 C ATOM 1500 CE LYS A 91 4.952 -8.855 -6.957 1.00 72.13 C ATOM 1501 NZ LYS A 91 6.110 -9.264 -6.109 1.00 63.54 N ATOM 0 H LYS A 91 5.630 -4.791 -5.095 1.00 23.13 H new ATOM 0 HA LYS A 91 3.762 -5.572 -3.162 1.00 3.55 H new ATOM 0 HB2 LYS A 91 5.821 -7.130 -4.782 1.00 34.44 H new ATOM 0 HB3 LYS A 91 4.729 -7.941 -3.677 1.00 34.44 H new ATOM 0 HG2 LYS A 91 2.796 -6.900 -4.976 1.00 72.20 H new ATOM 0 HG3 LYS A 91 3.973 -6.342 -6.150 1.00 72.20 H new ATOM 0 HD2 LYS A 91 3.499 -9.274 -5.415 1.00 65.33 H new ATOM 0 HD3 LYS A 91 2.829 -8.478 -6.825 1.00 65.33 H new ATOM 0 HE2 LYS A 91 4.713 -9.666 -7.645 1.00 72.13 H new ATOM 0 HE3 LYS A 91 5.243 -7.998 -7.564 1.00 72.13 H new ATOM 0 HZ1 LYS A 91 6.564 -10.104 -6.522 1.00 63.54 H new ATOM 0 HZ2 LYS A 91 6.799 -8.486 -6.063 1.00 63.54 H new ATOM 0 HZ3 LYS A 91 5.776 -9.488 -5.150 1.00 63.54 H new ATOM 1515 N LYS A 92 6.943 -5.956 -2.214 1.00 53.42 N ATOM 1516 CA LYS A 92 7.851 -6.195 -1.069 1.00 32.01 C ATOM 1517 C LYS A 92 7.622 -5.173 0.080 1.00 43.24 C ATOM 1518 O LYS A 92 7.809 -5.485 1.263 1.00 1.21 O ATOM 1519 CB LYS A 92 9.322 -6.180 -1.548 1.00 72.01 C ATOM 1520 CG LYS A 92 10.362 -6.453 -0.439 1.00 55.44 C ATOM 1521 CD LYS A 92 10.207 -7.858 0.201 1.00 30.25 C ATOM 1522 CE LYS A 92 11.174 -8.086 1.377 1.00 61.20 C ATOM 1523 NZ LYS A 92 10.984 -7.098 2.472 1.00 52.20 N ATOM 0 H LYS A 92 7.428 -5.706 -3.076 1.00 53.42 H new ATOM 0 HA LYS A 92 7.625 -7.180 -0.660 1.00 32.01 H new ATOM 0 HB2 LYS A 92 9.442 -6.927 -2.333 1.00 72.01 H new ATOM 0 HB3 LYS A 92 9.535 -5.209 -1.996 1.00 72.01 H new ATOM 0 HG2 LYS A 92 11.364 -6.358 -0.856 1.00 55.44 H new ATOM 0 HG3 LYS A 92 10.266 -5.693 0.337 1.00 55.44 H new ATOM 0 HD2 LYS A 92 9.182 -7.983 0.550 1.00 30.25 H new ATOM 0 HD3 LYS A 92 10.380 -8.620 -0.559 1.00 30.25 H new ATOM 0 HE2 LYS A 92 11.030 -9.092 1.771 1.00 61.20 H new ATOM 0 HE3 LYS A 92 12.201 -8.029 1.015 1.00 61.20 H new ATOM 0 HZ1 LYS A 92 11.507 -7.410 3.315 1.00 52.20 H new ATOM 0 HZ2 LYS A 92 11.340 -6.169 2.167 1.00 52.20 H new ATOM 0 HZ3 LYS A 92 9.972 -7.023 2.700 1.00 52.20 H new ATOM 1537 N LYS A 93 7.222 -3.955 -0.296 1.00 71.42 N ATOM 1538 CA LYS A 93 6.810 -2.904 0.656 1.00 34.21 C ATOM 1539 C LYS A 93 5.538 -3.319 1.443 1.00 32.53 C ATOM 1540 O LYS A 93 5.445 -3.060 2.639 1.00 0.12 O ATOM 1541 CB LYS A 93 6.569 -1.573 -0.096 1.00 40.04 C ATOM 1542 CG LYS A 93 7.772 -1.072 -0.932 1.00 11.43 C ATOM 1543 CD LYS A 93 8.994 -0.646 -0.086 1.00 15.32 C ATOM 1544 CE LYS A 93 10.165 -0.163 -0.967 1.00 52.14 C ATOM 1545 NZ LYS A 93 11.325 0.301 -0.161 1.00 15.05 N ATOM 0 H LYS A 93 7.172 -3.663 -1.272 1.00 71.42 H new ATOM 0 HA LYS A 93 7.615 -2.766 1.377 1.00 34.21 H new ATOM 0 HB2 LYS A 93 5.711 -1.696 -0.757 1.00 40.04 H new ATOM 0 HB3 LYS A 93 6.304 -0.805 0.630 1.00 40.04 H new ATOM 0 HG2 LYS A 93 8.077 -1.861 -1.620 1.00 11.43 H new ATOM 0 HG3 LYS A 93 7.451 -0.226 -1.540 1.00 11.43 H new ATOM 0 HD2 LYS A 93 8.702 0.151 0.598 1.00 15.32 H new ATOM 0 HD3 LYS A 93 9.323 -1.486 0.526 1.00 15.32 H new ATOM 0 HE2 LYS A 93 10.482 -0.974 -1.622 1.00 52.14 H new ATOM 0 HE3 LYS A 93 9.823 0.649 -1.608 1.00 52.14 H new ATOM 0 HZ1 LYS A 93 12.086 0.615 -0.797 1.00 15.05 H new ATOM 0 HZ2 LYS A 93 11.031 1.093 0.446 1.00 15.05 H new ATOM 0 HZ3 LYS A 93 11.670 -0.480 0.432 1.00 15.05 H new ATOM 1559 N LEU A 94 4.576 -3.979 0.758 1.00 22.00 N ATOM 1560 CA LEU A 94 3.336 -4.513 1.395 1.00 5.33 C ATOM 1561 C LEU A 94 3.612 -5.799 2.216 1.00 55.21 C ATOM 1562 O LEU A 94 2.900 -6.083 3.190 1.00 12.03 O ATOM 1563 CB LEU A 94 2.226 -4.758 0.334 1.00 54.25 C ATOM 1564 CG LEU A 94 1.355 -3.530 -0.075 1.00 63.32 C ATOM 1565 CD1 LEU A 94 0.621 -2.948 1.147 1.00 74.35 C ATOM 1566 CD2 LEU A 94 2.184 -2.448 -0.801 1.00 45.43 C ATOM 0 H LEU A 94 4.630 -4.159 -0.245 1.00 22.00 H new ATOM 0 HA LEU A 94 2.981 -3.755 2.093 1.00 5.33 H new ATOM 0 HB2 LEU A 94 2.698 -5.153 -0.565 1.00 54.25 H new ATOM 0 HB3 LEU A 94 1.561 -5.534 0.712 1.00 54.25 H new ATOM 0 HG LEU A 94 0.606 -3.883 -0.784 1.00 63.32 H new ATOM 0 HD11 LEU A 94 0.020 -2.093 0.837 1.00 74.35 H new ATOM 0 HD12 LEU A 94 -0.028 -3.710 1.579 1.00 74.35 H new ATOM 0 HD13 LEU A 94 1.350 -2.628 1.891 1.00 74.35 H new ATOM 0 HD21 LEU A 94 1.537 -1.612 -1.067 1.00 45.43 H new ATOM 0 HD22 LEU A 94 2.979 -2.097 -0.143 1.00 45.43 H new ATOM 0 HD23 LEU A 94 2.621 -2.871 -1.705 1.00 45.43 H new ATOM 1578 N ASP A 95 4.641 -6.570 1.811 1.00 52.21 N ATOM 1579 CA ASP A 95 5.205 -7.663 2.637 1.00 52.20 C ATOM 1580 C ASP A 95 5.723 -7.099 3.979 1.00 32.22 C ATOM 1581 O ASP A 95 5.539 -7.703 5.034 1.00 52.44 O ATOM 1582 CB ASP A 95 6.367 -8.370 1.887 1.00 11.21 C ATOM 1583 CG ASP A 95 5.893 -9.285 0.746 1.00 43.21 C ATOM 1584 OD1 ASP A 95 5.257 -10.319 1.037 1.00 51.40 O ATOM 1585 OD2 ASP A 95 6.171 -9.003 -0.436 1.00 34.34 O ATOM 0 H ASP A 95 5.104 -6.456 0.909 1.00 52.21 H new ATOM 0 HA ASP A 95 4.416 -8.390 2.830 1.00 52.20 H new ATOM 0 HB2 ASP A 95 7.040 -7.615 1.481 1.00 11.21 H new ATOM 0 HB3 ASP A 95 6.943 -8.960 2.600 1.00 11.21 H new ATOM 1590 N MET A 96 6.361 -5.922 3.891 1.00 1.31 N ATOM 1591 CA MET A 96 6.896 -5.173 5.044 1.00 54.11 C ATOM 1592 C MET A 96 5.766 -4.568 5.920 1.00 44.13 C ATOM 1593 O MET A 96 5.927 -4.464 7.135 1.00 2.43 O ATOM 1594 CB MET A 96 7.874 -4.082 4.520 1.00 41.02 C ATOM 1595 CG MET A 96 8.330 -3.036 5.550 1.00 23.42 C ATOM 1596 SD MET A 96 9.689 -2.008 4.945 1.00 74.11 S ATOM 1597 CE MET A 96 10.066 -1.020 6.397 1.00 14.35 C ATOM 0 H MET A 96 6.524 -5.453 3.000 1.00 1.31 H new ATOM 0 HA MET A 96 7.439 -5.858 5.695 1.00 54.11 H new ATOM 0 HB2 MET A 96 8.758 -4.577 4.119 1.00 41.02 H new ATOM 0 HB3 MET A 96 7.396 -3.562 3.690 1.00 41.02 H new ATOM 0 HG2 MET A 96 7.486 -2.398 5.812 1.00 23.42 H new ATOM 0 HG3 MET A 96 8.642 -3.543 6.463 1.00 23.42 H new ATOM 0 HE1 MET A 96 10.886 -0.339 6.171 1.00 14.35 H new ATOM 0 HE2 MET A 96 9.186 -0.445 6.684 1.00 14.35 H new ATOM 0 HE3 MET A 96 10.355 -1.676 7.218 1.00 14.35 H new ATOM 1607 N VAL A 97 4.626 -4.182 5.307 1.00 21.33 N ATOM 1608 CA VAL A 97 3.433 -3.702 6.064 1.00 63.22 C ATOM 1609 C VAL A 97 2.878 -4.834 6.966 1.00 15.23 C ATOM 1610 O VAL A 97 2.551 -4.613 8.136 1.00 14.54 O ATOM 1611 CB VAL A 97 2.292 -3.175 5.105 1.00 74.11 C ATOM 1612 CG1 VAL A 97 1.062 -2.643 5.893 1.00 34.32 C ATOM 1613 CG2 VAL A 97 2.837 -2.094 4.145 1.00 54.52 C ATOM 0 H VAL A 97 4.500 -4.191 4.295 1.00 21.33 H new ATOM 0 HA VAL A 97 3.759 -2.866 6.683 1.00 63.22 H new ATOM 0 HB VAL A 97 1.952 -4.026 4.514 1.00 74.11 H new ATOM 0 HG11 VAL A 97 0.305 -2.292 5.192 1.00 34.32 H new ATOM 0 HG12 VAL A 97 0.647 -3.444 6.504 1.00 34.32 H new ATOM 0 HG13 VAL A 97 1.371 -1.819 6.536 1.00 34.32 H new ATOM 0 HG21 VAL A 97 2.034 -1.746 3.495 1.00 54.52 H new ATOM 0 HG22 VAL A 97 3.224 -1.255 4.724 1.00 54.52 H new ATOM 0 HG23 VAL A 97 3.638 -2.517 3.538 1.00 54.52 H new ATOM 1623 N THR A 98 2.815 -6.048 6.396 1.00 64.43 N ATOM 1624 CA THR A 98 2.359 -7.263 7.107 1.00 35.00 C ATOM 1625 C THR A 98 3.396 -7.715 8.185 1.00 73.15 C ATOM 1626 O THR A 98 3.030 -8.027 9.324 1.00 53.41 O ATOM 1627 CB THR A 98 2.104 -8.435 6.087 1.00 12.24 C ATOM 1628 OG1 THR A 98 1.167 -8.018 5.071 1.00 21.03 O ATOM 1629 CG2 THR A 98 1.564 -9.705 6.770 1.00 14.02 C ATOM 0 H THR A 98 3.079 -6.220 5.426 1.00 64.43 H new ATOM 0 HA THR A 98 1.425 -7.018 7.613 1.00 35.00 H new ATOM 0 HB THR A 98 3.069 -8.675 5.641 1.00 12.24 H new ATOM 0 HG1 THR A 98 1.618 -7.426 4.433 1.00 21.03 H new ATOM 0 HG21 THR A 98 1.406 -10.481 6.021 1.00 14.02 H new ATOM 0 HG22 THR A 98 2.285 -10.055 7.509 1.00 14.02 H new ATOM 0 HG23 THR A 98 0.619 -9.479 7.264 1.00 14.02 H new ATOM 1637 N ARG A 99 4.692 -7.731 7.804 1.00 45.22 N ATOM 1638 CA ARG A 99 5.799 -8.213 8.678 1.00 22.11 C ATOM 1639 C ARG A 99 6.133 -7.247 9.843 1.00 31.02 C ATOM 1640 O ARG A 99 6.580 -7.700 10.889 1.00 14.22 O ATOM 1641 CB ARG A 99 7.087 -8.539 7.836 1.00 55.32 C ATOM 1642 CG ARG A 99 7.418 -10.050 7.718 1.00 11.25 C ATOM 1643 CD ARG A 99 7.689 -10.709 9.095 1.00 11.34 C ATOM 1644 NE ARG A 99 7.964 -12.155 8.990 1.00 71.42 N ATOM 1645 CZ ARG A 99 7.946 -13.019 9.992 1.00 64.33 C ATOM 1646 NH1 ARG A 99 7.697 -12.651 11.209 1.00 75.22 N ATOM 1647 NH2 ARG A 99 8.194 -14.268 9.761 1.00 41.44 N ATOM 0 H ARG A 99 5.006 -7.413 6.887 1.00 45.22 H new ATOM 0 HA ARG A 99 5.436 -9.132 9.138 1.00 22.11 H new ATOM 0 HB2 ARG A 99 6.963 -8.129 6.834 1.00 55.32 H new ATOM 0 HB3 ARG A 99 7.938 -8.028 8.287 1.00 55.32 H new ATOM 0 HG2 ARG A 99 6.589 -10.563 7.230 1.00 11.25 H new ATOM 0 HG3 ARG A 99 8.292 -10.178 7.079 1.00 11.25 H new ATOM 0 HD2 ARG A 99 8.538 -10.215 9.569 1.00 11.34 H new ATOM 0 HD3 ARG A 99 6.827 -10.553 9.744 1.00 11.34 H new ATOM 0 HE ARG A 99 8.187 -12.520 8.064 1.00 71.42 H new ATOM 0 HH11 ARG A 99 7.507 -11.671 11.417 1.00 75.22 H new ATOM 0 HH12 ARG A 99 7.690 -13.342 11.959 1.00 75.22 H new ATOM 0 HH21 ARG A 99 8.401 -14.580 8.812 1.00 41.44 H new ATOM 0 HH22 ARG A 99 8.182 -14.941 10.528 1.00 41.44 H new ATOM 1661 N GLU A 100 5.961 -5.930 9.651 1.00 5.34 N ATOM 1662 CA GLU A 100 6.180 -4.938 10.739 1.00 73.42 C ATOM 1663 C GLU A 100 4.988 -4.956 11.726 1.00 53.14 C ATOM 1664 O GLU A 100 5.151 -4.782 12.940 1.00 52.10 O ATOM 1665 CB GLU A 100 6.415 -3.511 10.161 1.00 42.05 C ATOM 1666 CG GLU A 100 6.982 -2.491 11.176 1.00 20.45 C ATOM 1667 CD GLU A 100 8.326 -2.937 11.796 1.00 60.22 C ATOM 1668 OE1 GLU A 100 9.331 -3.034 11.055 1.00 34.01 O ATOM 1669 OE2 GLU A 100 8.382 -3.241 13.012 1.00 13.53 O ATOM 0 H GLU A 100 5.673 -5.520 8.763 1.00 5.34 H new ATOM 0 HA GLU A 100 7.081 -5.218 11.285 1.00 73.42 H new ATOM 0 HB2 GLU A 100 7.101 -3.583 9.317 1.00 42.05 H new ATOM 0 HB3 GLU A 100 5.470 -3.130 9.772 1.00 42.05 H new ATOM 0 HG2 GLU A 100 7.119 -1.530 10.679 1.00 20.45 H new ATOM 0 HG3 GLU A 100 6.254 -2.337 11.973 1.00 20.45 H new ATOM 1676 N LEU A 101 3.790 -5.203 11.170 1.00 53.13 N ATOM 1677 CA LEU A 101 2.553 -5.453 11.939 1.00 64.20 C ATOM 1678 C LEU A 101 2.670 -6.743 12.805 1.00 63.23 C ATOM 1679 O LEU A 101 2.066 -6.838 13.883 1.00 42.30 O ATOM 1680 CB LEU A 101 1.385 -5.588 10.937 1.00 62.21 C ATOM 1681 CG LEU A 101 -0.037 -5.840 11.525 1.00 41.54 C ATOM 1682 CD1 LEU A 101 -0.577 -4.611 12.294 1.00 42.44 C ATOM 1683 CD2 LEU A 101 -1.002 -6.278 10.409 1.00 71.54 C ATOM 0 H LEU A 101 3.649 -5.236 10.160 1.00 53.13 H new ATOM 0 HA LEU A 101 2.379 -4.622 12.622 1.00 64.20 H new ATOM 0 HB2 LEU A 101 1.346 -4.677 10.340 1.00 62.21 H new ATOM 0 HB3 LEU A 101 1.618 -6.406 10.256 1.00 62.21 H new ATOM 0 HG LEU A 101 0.040 -6.648 12.253 1.00 41.54 H new ATOM 0 HD11 LEU A 101 -1.570 -4.834 12.685 1.00 42.44 H new ATOM 0 HD12 LEU A 101 0.094 -4.375 13.120 1.00 42.44 H new ATOM 0 HD13 LEU A 101 -0.636 -3.757 11.619 1.00 42.44 H new ATOM 0 HD21 LEU A 101 -1.992 -6.451 10.831 1.00 71.54 H new ATOM 0 HD22 LEU A 101 -1.062 -5.496 9.652 1.00 71.54 H new ATOM 0 HD23 LEU A 101 -0.636 -7.198 9.952 1.00 71.54 H new ATOM 1695 N ASP A 102 3.448 -7.727 12.305 1.00 53.02 N ATOM 1696 CA ASP A 102 3.758 -8.984 13.030 1.00 14.41 C ATOM 1697 C ASP A 102 4.425 -8.710 14.404 1.00 35.23 C ATOM 1698 O ASP A 102 4.114 -9.395 15.372 1.00 14.41 O ATOM 1699 CB ASP A 102 4.654 -9.895 12.149 1.00 22.34 C ATOM 1700 CG ASP A 102 5.164 -11.160 12.871 1.00 63.31 C ATOM 1701 OD1 ASP A 102 4.392 -12.135 13.006 1.00 65.32 O ATOM 1702 OD2 ASP A 102 6.337 -11.179 13.315 1.00 51.22 O ATOM 0 H ASP A 102 3.882 -7.674 11.383 1.00 53.02 H new ATOM 0 HA ASP A 102 2.818 -9.498 13.231 1.00 14.41 H new ATOM 0 HB2 ASP A 102 4.091 -10.195 11.265 1.00 22.34 H new ATOM 0 HB3 ASP A 102 5.510 -9.318 11.801 1.00 22.34 H new ATOM 1707 N LYS A 103 5.307 -7.686 14.473 1.00 24.52 N ATOM 1708 CA LYS A 103 6.014 -7.280 15.731 1.00 20.53 C ATOM 1709 C LYS A 103 5.016 -6.949 16.878 1.00 24.22 C ATOM 1710 O LYS A 103 5.282 -7.242 18.052 1.00 50.10 O ATOM 1711 CB LYS A 103 6.938 -6.044 15.480 1.00 32.45 C ATOM 1712 CG LYS A 103 8.305 -6.331 14.808 1.00 62.25 C ATOM 1713 CD LYS A 103 8.211 -6.974 13.407 1.00 53.11 C ATOM 1714 CE LYS A 103 9.557 -6.992 12.654 1.00 14.22 C ATOM 1715 NZ LYS A 103 10.015 -5.620 12.292 1.00 71.41 N ATOM 0 H LYS A 103 5.555 -7.113 13.666 1.00 24.52 H new ATOM 0 HA LYS A 103 6.621 -8.132 16.036 1.00 20.53 H new ATOM 0 HB2 LYS A 103 6.395 -5.332 14.859 1.00 32.45 H new ATOM 0 HB3 LYS A 103 7.123 -5.556 16.437 1.00 32.45 H new ATOM 0 HG2 LYS A 103 8.859 -5.396 14.727 1.00 62.25 H new ATOM 0 HG3 LYS A 103 8.883 -6.989 15.457 1.00 62.25 H new ATOM 0 HD2 LYS A 103 7.845 -7.996 13.507 1.00 53.11 H new ATOM 0 HD3 LYS A 103 7.477 -6.429 12.813 1.00 53.11 H new ATOM 0 HE2 LYS A 103 10.313 -7.474 13.274 1.00 14.22 H new ATOM 0 HE3 LYS A 103 9.458 -7.591 11.749 1.00 14.22 H new ATOM 0 HZ1 LYS A 103 11.049 -5.563 12.386 1.00 71.41 H new ATOM 0 HZ2 LYS A 103 9.745 -5.412 11.310 1.00 71.41 H new ATOM 0 HZ3 LYS A 103 9.571 -4.927 12.928 1.00 71.41 H new ATOM 1729 N LYS A 104 3.873 -6.341 16.502 1.00 65.12 N ATOM 1730 CA LYS A 104 2.794 -5.963 17.441 1.00 41.43 C ATOM 1731 C LYS A 104 2.201 -7.188 18.189 1.00 63.14 C ATOM 1732 O LYS A 104 2.021 -7.155 19.411 1.00 1.12 O ATOM 1733 CB LYS A 104 1.676 -5.211 16.692 1.00 44.41 C ATOM 1734 CG LYS A 104 2.108 -3.823 16.177 1.00 73.34 C ATOM 1735 CD LYS A 104 0.954 -3.020 15.539 1.00 13.04 C ATOM 1736 CE LYS A 104 -0.253 -2.834 16.480 1.00 11.42 C ATOM 1737 NZ LYS A 104 -1.368 -2.086 15.837 1.00 52.11 N ATOM 0 H LYS A 104 3.670 -6.096 15.533 1.00 65.12 H new ATOM 0 HA LYS A 104 3.238 -5.309 18.192 1.00 41.43 H new ATOM 0 HB2 LYS A 104 1.344 -5.816 15.848 1.00 44.41 H new ATOM 0 HB3 LYS A 104 0.820 -5.093 17.356 1.00 44.41 H new ATOM 0 HG2 LYS A 104 2.525 -3.250 17.005 1.00 73.34 H new ATOM 0 HG3 LYS A 104 2.904 -3.948 15.443 1.00 73.34 H new ATOM 0 HD2 LYS A 104 1.325 -2.040 15.238 1.00 13.04 H new ATOM 0 HD3 LYS A 104 0.624 -3.528 14.633 1.00 13.04 H new ATOM 0 HE2 LYS A 104 -0.613 -3.811 16.801 1.00 11.42 H new ATOM 0 HE3 LYS A 104 0.068 -2.302 17.376 1.00 11.42 H new ATOM 0 HZ1 LYS A 104 -2.154 -1.988 16.511 1.00 52.11 H new ATOM 0 HZ2 LYS A 104 -1.035 -1.142 15.554 1.00 52.11 H new ATOM 0 HZ3 LYS A 104 -1.695 -2.604 14.997 1.00 52.11 H new ATOM 1751 N VAL A 105 1.895 -8.263 17.435 1.00 63.23 N ATOM 1752 CA VAL A 105 1.295 -9.506 17.994 1.00 54.50 C ATOM 1753 C VAL A 105 2.393 -10.503 18.482 1.00 50.25 C ATOM 1754 O VAL A 105 2.121 -11.409 19.275 1.00 10.41 O ATOM 1755 CB VAL A 105 0.326 -10.181 16.936 1.00 74.42 C ATOM 1756 CG1 VAL A 105 1.086 -10.686 15.684 1.00 25.31 C ATOM 1757 CG2 VAL A 105 -0.540 -11.304 17.572 1.00 74.24 C ATOM 0 H VAL A 105 2.053 -8.301 16.428 1.00 63.23 H new ATOM 0 HA VAL A 105 0.703 -9.231 18.867 1.00 54.50 H new ATOM 0 HB VAL A 105 -0.356 -9.400 16.600 1.00 74.42 H new ATOM 0 HG11 VAL A 105 0.380 -11.140 14.989 1.00 25.31 H new ATOM 0 HG12 VAL A 105 1.585 -9.847 15.198 1.00 25.31 H new ATOM 0 HG13 VAL A 105 1.828 -11.426 15.983 1.00 25.31 H new ATOM 0 HG21 VAL A 105 -1.189 -11.738 16.811 1.00 74.24 H new ATOM 0 HG22 VAL A 105 0.110 -12.078 17.980 1.00 74.24 H new ATOM 0 HG23 VAL A 105 -1.150 -10.884 18.372 1.00 74.24 H new ATOM 1767 N SER A 106 3.641 -10.305 18.010 1.00 22.44 N ATOM 1768 CA SER A 106 4.816 -11.123 18.416 1.00 63.31 C ATOM 1769 C SER A 106 5.314 -10.731 19.824 1.00 42.22 C ATOM 1770 O SER A 106 5.818 -11.572 20.577 1.00 70.50 O ATOM 1771 CB SER A 106 5.969 -10.967 17.392 1.00 30.44 C ATOM 1772 OG SER A 106 7.082 -11.799 17.704 1.00 75.35 O ATOM 0 H SER A 106 3.869 -9.574 17.336 1.00 22.44 H new ATOM 0 HA SER A 106 4.497 -12.165 18.441 1.00 63.31 H new ATOM 0 HB2 SER A 106 5.603 -11.212 16.395 1.00 30.44 H new ATOM 0 HB3 SER A 106 6.292 -9.926 17.366 1.00 30.44 H new ATOM 0 HG SER A 106 7.633 -11.922 16.903 1.00 75.35 H new ATOM 1778 N GLY A 107 5.183 -9.430 20.158 1.00 51.40 N ATOM 1779 CA GLY A 107 5.573 -8.901 21.477 1.00 61.12 C ATOM 1780 C GLY A 107 6.873 -8.094 21.443 1.00 11.41 C ATOM 1781 O GLY A 107 7.014 -7.097 22.166 1.00 61.32 O ATOM 0 H GLY A 107 4.807 -8.724 19.525 1.00 51.40 H new ATOM 0 HA2 GLY A 107 4.771 -8.270 21.860 1.00 61.12 H new ATOM 0 HA3 GLY A 107 5.686 -9.731 22.175 1.00 61.12 H new ATOM 1785 N SER A 108 7.832 -8.538 20.607 1.00 70.23 N ATOM 1786 CA SER A 108 9.151 -7.877 20.448 1.00 32.35 C ATOM 1787 C SER A 108 9.816 -8.286 19.108 1.00 33.34 C ATOM 1788 O SER A 108 9.271 -9.103 18.349 1.00 71.53 O ATOM 1789 CB SER A 108 10.077 -8.220 21.652 1.00 45.23 C ATOM 1790 OG SER A 108 11.274 -7.450 21.642 1.00 43.41 O ATOM 0 H SER A 108 7.718 -9.365 20.021 1.00 70.23 H new ATOM 0 HA SER A 108 8.995 -6.798 20.429 1.00 32.35 H new ATOM 0 HB2 SER A 108 9.540 -8.043 22.584 1.00 45.23 H new ATOM 0 HB3 SER A 108 10.328 -9.280 21.625 1.00 45.23 H new ATOM 0 HG SER A 108 11.826 -7.694 22.414 1.00 43.41 H new ATOM 1796 N TYR A 109 10.993 -7.695 18.818 1.00 12.24 N ATOM 1797 CA TYR A 109 11.757 -7.958 17.578 1.00 2.22 C ATOM 1798 C TYR A 109 12.667 -9.203 17.729 1.00 14.34 C ATOM 1799 O TYR A 109 13.707 -9.146 18.393 1.00 1.54 O ATOM 1800 CB TYR A 109 12.616 -6.713 17.202 1.00 75.32 C ATOM 1801 CG TYR A 109 11.803 -5.473 16.784 1.00 62.24 C ATOM 1802 CD1 TYR A 109 11.110 -4.700 17.724 1.00 70.24 C ATOM 1803 CD2 TYR A 109 11.737 -5.070 15.447 1.00 72.33 C ATOM 1804 CE1 TYR A 109 10.378 -3.591 17.342 1.00 13.25 C ATOM 1805 CE2 TYR A 109 11.007 -3.961 15.067 1.00 10.25 C ATOM 1806 CZ TYR A 109 10.335 -3.223 16.015 1.00 40.45 C ATOM 1807 OH TYR A 109 9.605 -2.114 15.633 1.00 31.22 O ATOM 0 H TYR A 109 11.443 -7.021 19.437 1.00 12.24 H new ATOM 0 HA TYR A 109 11.042 -8.157 16.780 1.00 2.22 H new ATOM 0 HB2 TYR A 109 13.242 -6.450 18.054 1.00 75.32 H new ATOM 0 HB3 TYR A 109 13.286 -6.984 16.386 1.00 75.32 H new ATOM 0 HD1 TYR A 109 11.148 -4.976 18.768 1.00 70.24 H new ATOM 0 HD2 TYR A 109 12.267 -5.637 14.696 1.00 72.33 H new ATOM 0 HE1 TYR A 109 9.842 -3.015 18.082 1.00 13.25 H new ATOM 0 HE2 TYR A 109 10.963 -3.673 14.027 1.00 10.25 H new ATOM 0 HH TYR A 109 9.152 -2.297 14.784 1.00 31.22 H new ATOM 1817 N LEU A 110 12.244 -10.337 17.142 1.00 71.13 N ATOM 1818 CA LEU A 110 13.104 -11.541 17.002 1.00 25.42 C ATOM 1819 C LEU A 110 14.068 -11.347 15.799 1.00 71.12 C ATOM 1820 O LEU A 110 15.236 -11.736 15.853 1.00 43.22 O ATOM 1821 CB LEU A 110 12.247 -12.840 16.861 1.00 53.23 C ATOM 1822 CG LEU A 110 11.489 -13.333 18.148 1.00 44.22 C ATOM 1823 CD1 LEU A 110 12.468 -13.575 19.323 1.00 61.51 C ATOM 1824 CD2 LEU A 110 10.340 -12.376 18.555 1.00 64.55 C ATOM 0 H LEU A 110 11.308 -10.451 16.753 1.00 71.13 H new ATOM 0 HA LEU A 110 13.699 -11.663 17.907 1.00 25.42 H new ATOM 0 HB2 LEU A 110 11.510 -12.677 16.074 1.00 53.23 H new ATOM 0 HB3 LEU A 110 12.901 -13.644 16.523 1.00 53.23 H new ATOM 0 HG LEU A 110 11.029 -14.289 17.897 1.00 44.22 H new ATOM 0 HD11 LEU A 110 11.911 -13.915 20.196 1.00 61.51 H new ATOM 0 HD12 LEU A 110 13.197 -14.334 19.039 1.00 61.51 H new ATOM 0 HD13 LEU A 110 12.986 -12.646 19.562 1.00 61.51 H new ATOM 0 HD21 LEU A 110 9.847 -12.759 19.449 1.00 64.55 H new ATOM 0 HD22 LEU A 110 10.747 -11.386 18.761 1.00 64.55 H new ATOM 0 HD23 LEU A 110 9.617 -12.309 17.742 1.00 64.55 H new ATOM 1836 N VAL A 111 13.547 -10.756 14.706 1.00 41.22 N ATOM 1837 CA VAL A 111 14.371 -10.104 13.655 1.00 65.44 C ATOM 1838 C VAL A 111 14.019 -8.583 13.615 1.00 44.33 C ATOM 1839 O VAL A 111 12.855 -8.217 13.843 1.00 51.43 O ATOM 1840 CB VAL A 111 14.195 -10.755 12.218 1.00 32.43 C ATOM 1841 CG1 VAL A 111 14.580 -12.256 12.228 1.00 64.31 C ATOM 1842 CG2 VAL A 111 12.768 -10.549 11.647 1.00 11.23 C ATOM 0 H VAL A 111 12.545 -10.714 14.522 1.00 41.22 H new ATOM 0 HA VAL A 111 15.418 -10.251 13.918 1.00 65.44 H new ATOM 0 HB VAL A 111 14.882 -10.233 11.552 1.00 32.43 H new ATOM 0 HG11 VAL A 111 14.448 -12.672 11.229 1.00 64.31 H new ATOM 0 HG12 VAL A 111 15.622 -12.362 12.531 1.00 64.31 H new ATOM 0 HG13 VAL A 111 13.941 -12.791 12.931 1.00 64.31 H new ATOM 0 HG21 VAL A 111 12.699 -11.013 10.663 1.00 11.23 H new ATOM 0 HG22 VAL A 111 12.039 -11.007 12.315 1.00 11.23 H new ATOM 0 HG23 VAL A 111 12.561 -9.482 11.561 1.00 11.23 H new ATOM 1852 N PRO A 112 15.015 -7.662 13.369 1.00 23.33 N ATOM 1853 CA PRO A 112 14.751 -6.194 13.317 1.00 32.44 C ATOM 1854 C PRO A 112 13.883 -5.768 12.099 1.00 22.55 C ATOM 1855 O PRO A 112 12.854 -5.095 12.252 1.00 11.14 O ATOM 1856 CB PRO A 112 16.180 -5.561 13.237 1.00 70.05 C ATOM 1857 CG PRO A 112 17.125 -6.670 13.612 1.00 21.44 C ATOM 1858 CD PRO A 112 16.459 -7.952 13.165 1.00 21.11 C ATOM 0 HA PRO A 112 14.176 -5.864 14.182 1.00 32.44 H new ATOM 0 HB2 PRO A 112 16.389 -5.187 12.235 1.00 70.05 H new ATOM 0 HB3 PRO A 112 16.275 -4.716 13.919 1.00 70.05 H new ATOM 0 HG2 PRO A 112 18.091 -6.541 13.124 1.00 21.44 H new ATOM 0 HG3 PRO A 112 17.309 -6.680 14.686 1.00 21.44 H new ATOM 0 HD2 PRO A 112 16.682 -8.182 12.123 1.00 21.11 H new ATOM 0 HD3 PRO A 112 16.788 -8.806 13.757 1.00 21.11 H new ATOM 1866 N ARG A 113 14.303 -6.209 10.898 1.00 34.35 N ATOM 1867 CA ARG A 113 13.754 -5.728 9.606 1.00 25.10 C ATOM 1868 C ARG A 113 14.118 -6.717 8.446 1.00 3.32 C ATOM 1869 O ARG A 113 15.328 -6.915 8.172 1.00 36.70 O ATOM 1870 CB ARG A 113 14.301 -4.292 9.323 1.00 3.33 C ATOM 1871 CG ARG A 113 13.915 -3.674 7.938 1.00 73.25 C ATOM 1872 CD ARG A 113 15.140 -3.129 7.179 1.00 60.45 C ATOM 1873 NE ARG A 113 16.146 -4.191 6.957 1.00 12.22 N ATOM 1874 CZ ARG A 113 17.440 -4.013 6.812 1.00 75.12 C ATOM 1875 NH1 ARG A 113 17.971 -2.833 6.815 1.00 4.03 N ATOM 1876 NH2 ARG A 113 18.206 -5.039 6.658 1.00 14.45 N ATOM 1877 OXT ARG A 113 13.194 -7.274 7.805 1.00 36.70 O ATOM 0 H ARG A 113 15.035 -6.911 10.791 1.00 34.35 H new ATOM 0 HA ARG A 113 12.666 -5.687 9.664 1.00 25.10 H new ATOM 0 HB2 ARG A 113 13.943 -3.626 10.108 1.00 3.33 H new ATOM 0 HB3 ARG A 113 15.388 -4.317 9.398 1.00 3.33 H new ATOM 0 HG2 ARG A 113 13.421 -4.432 7.330 1.00 73.25 H new ATOM 0 HG3 ARG A 113 13.196 -2.869 8.090 1.00 73.25 H new ATOM 0 HD2 ARG A 113 14.824 -2.717 6.220 1.00 60.45 H new ATOM 0 HD3 ARG A 113 15.588 -2.312 7.745 1.00 60.45 H new ATOM 0 HE ARG A 113 15.803 -5.151 6.912 1.00 12.22 H new ATOM 0 HH11 ARG A 113 17.382 -2.009 6.932 1.00 4.03 H new ATOM 0 HH12 ARG A 113 18.979 -2.727 6.700 1.00 4.03 H new ATOM 0 HH21 ARG A 113 17.806 -5.977 6.650 1.00 14.45 H new ATOM 0 HH22 ARG A 113 19.212 -4.912 6.545 1.00 14.45 H new TER 1891 ARG A 113