USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 617 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 35 SER OG : rot 180:sc= -0.0307 USER MOD Set 1.2: A 36 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 18 THR OG1 : rot -79:sc= 1.02 USER MOD Set 2.2: A 20 ASN : amide:sc= 0.0275 K(o=1.1,f=-1.1!) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 33:sc= 0.235 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl -168:sc= -0.0378 (180deg=-0.27) USER MOD Single : A 4 LYS NZ :NH3+ 138:sc= -0.696 (180deg=-2.8!) USER MOD Single : A 5 ASN : amide:sc= -0.501 K(o=-0.5,f=-1.3) USER MOD Single : A 8 LYS NZ :NH3+ 134:sc= 0.424 (180deg=-0.676) 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 29 CYS SG : rot -148:sc= -3.13! USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 176:sc=-0.00513 (180deg=-0.0352) USER MOD Single : A 38 THR OG1 : rot 160:sc= 0.763 USER MOD Single : A 41 TYR OH : rot -169:sc= 0.554 USER MOD Single : A 45 LYS NZ :NH3+ -159:sc= 0.589 (180deg=0.171) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 51 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 52 GLN : amide:sc= -1.22 K(o=-1.2,f=-3.6!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 59 GLN : amide:sc= -0.208 K(o=-0.21,f=-3.3!) USER MOD Single : A 61 MET CE :methyl -150:sc= 0 (180deg=-0.383) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= -0.0678 (180deg=-0.0678) USER MOD Single : A 67 SER OG : rot -46:sc= 0.429 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -2.67! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.135 -14.319 18.905 1.00 21.52 N ATOM 2 CA SER A 1 3.992 -12.873 18.583 1.00 21.42 C ATOM 3 C SER A 1 5.373 -12.173 18.576 1.00 55.44 C ATOM 4 O SER A 1 6.067 -12.137 19.603 1.00 72.53 O ATOM 5 CB SER A 1 3.032 -12.191 19.595 1.00 1.01 C ATOM 6 OG SER A 1 3.474 -12.359 20.935 1.00 41.32 O ATOM 0 H1 SER A 1 3.197 -14.769 18.904 1.00 21.52 H new ATOM 0 H2 SER A 1 4.739 -14.775 18.192 1.00 21.52 H new ATOM 0 H3 SER A 1 4.569 -14.424 19.844 1.00 21.52 H new ATOM 0 HA SER A 1 3.565 -12.780 17.585 1.00 21.42 H new ATOM 0 HB2 SER A 1 2.959 -11.128 19.367 1.00 1.01 H new ATOM 0 HB3 SER A 1 2.032 -12.610 19.487 1.00 1.01 H new ATOM 0 HG SER A 1 4.454 -12.378 20.956 1.00 41.32 H new ATOM 14 N HIS A 2 5.786 -11.651 17.403 1.00 71.45 N ATOM 15 CA HIS A 2 7.040 -10.870 17.236 1.00 22.23 C ATOM 16 C HIS A 2 6.804 -9.666 16.297 1.00 65.31 C ATOM 17 O HIS A 2 7.043 -8.512 16.686 1.00 40.04 O ATOM 18 CB HIS A 2 8.198 -11.765 16.678 1.00 72.41 C ATOM 19 CG HIS A 2 8.781 -12.734 17.683 1.00 15.24 C ATOM 20 ND1 HIS A 2 9.633 -12.334 18.693 1.00 10.43 N ATOM 21 CD2 HIS A 2 8.636 -14.076 17.836 1.00 61.41 C ATOM 22 CE1 HIS A 2 9.978 -13.374 19.418 1.00 12.42 C ATOM 23 NE2 HIS A 2 9.392 -14.441 18.922 1.00 63.12 N ATOM 0 H HIS A 2 5.259 -11.757 16.536 1.00 71.45 H new ATOM 0 HA HIS A 2 7.336 -10.504 18.219 1.00 22.23 H new ATOM 0 HB2 HIS A 2 7.825 -12.329 15.823 1.00 72.41 H new ATOM 0 HB3 HIS A 2 8.995 -11.119 16.311 1.00 72.41 H new ATOM 0 HD2 HIS A 2 8.039 -14.732 17.220 1.00 61.41 H new ATOM 0 HE1 HIS A 2 10.633 -13.355 20.277 1.00 12.42 H new ATOM 0 HE2 HIS A 2 9.484 -15.389 19.286 1.00 63.12 H new ATOM 32 N MET A 3 6.338 -9.964 15.055 1.00 24.34 N ATOM 33 CA MET A 3 6.159 -8.965 13.959 1.00 54.24 C ATOM 34 C MET A 3 7.530 -8.286 13.599 1.00 32.42 C ATOM 35 O MET A 3 8.589 -8.741 14.055 1.00 33.14 O ATOM 36 CB MET A 3 5.057 -7.915 14.358 1.00 62.25 C ATOM 37 CG MET A 3 4.355 -7.192 13.190 1.00 35.24 C ATOM 38 SD MET A 3 3.246 -5.865 13.744 1.00 75.54 S ATOM 39 CE MET A 3 2.089 -6.740 14.807 1.00 34.23 C ATOM 0 H MET A 3 6.073 -10.910 14.781 1.00 24.34 H new ATOM 0 HA MET A 3 5.813 -9.475 13.060 1.00 54.24 H new ATOM 0 HB2 MET A 3 4.298 -8.423 14.953 1.00 62.25 H new ATOM 0 HB3 MET A 3 5.516 -7.164 15.001 1.00 62.25 H new ATOM 0 HG2 MET A 3 5.109 -6.774 12.523 1.00 35.24 H new ATOM 0 HG3 MET A 3 3.784 -7.918 12.611 1.00 35.24 H new ATOM 0 HE1 MET A 3 1.243 -6.092 15.036 1.00 34.23 H new ATOM 0 HE2 MET A 3 1.733 -7.635 14.298 1.00 34.23 H new ATOM 0 HE3 MET A 3 2.589 -7.024 15.733 1.00 34.23 H new ATOM 49 N LYS A 4 7.511 -7.271 12.699 1.00 71.31 N ATOM 50 CA LYS A 4 8.671 -6.350 12.446 1.00 12.33 C ATOM 51 C LYS A 4 9.883 -7.047 11.730 1.00 54.32 C ATOM 52 O LYS A 4 10.892 -6.405 11.420 1.00 32.13 O ATOM 53 CB LYS A 4 9.107 -5.661 13.791 1.00 71.24 C ATOM 54 CG LYS A 4 10.086 -4.469 13.659 1.00 72.32 C ATOM 55 CD LYS A 4 10.540 -3.872 15.025 1.00 12.14 C ATOM 56 CE LYS A 4 9.432 -3.091 15.776 1.00 65.43 C ATOM 57 NZ LYS A 4 8.368 -3.963 16.346 1.00 43.13 N ATOM 0 H LYS A 4 6.696 -7.060 12.123 1.00 71.31 H new ATOM 0 HA LYS A 4 8.330 -5.587 11.746 1.00 12.33 H new ATOM 0 HB2 LYS A 4 8.211 -5.314 14.305 1.00 71.24 H new ATOM 0 HB3 LYS A 4 9.568 -6.415 14.429 1.00 71.24 H new ATOM 0 HG2 LYS A 4 10.967 -4.794 13.105 1.00 72.32 H new ATOM 0 HG3 LYS A 4 9.611 -3.684 13.070 1.00 72.32 H new ATOM 0 HD2 LYS A 4 10.894 -4.682 15.663 1.00 12.14 H new ATOM 0 HD3 LYS A 4 11.386 -3.207 14.855 1.00 12.14 H new ATOM 0 HE2 LYS A 4 9.888 -2.515 16.581 1.00 65.43 H new ATOM 0 HE3 LYS A 4 8.976 -2.376 15.091 1.00 65.43 H new ATOM 0 HZ1 LYS A 4 8.121 -3.631 17.300 1.00 43.13 H new ATOM 0 HZ2 LYS A 4 7.526 -3.926 15.737 1.00 43.13 H new ATOM 0 HZ3 LYS A 4 8.714 -4.942 16.400 1.00 43.13 H new ATOM 71 N ASN A 5 9.768 -8.356 11.451 1.00 1.03 N ATOM 72 CA ASN A 5 10.830 -9.151 10.785 1.00 3.12 C ATOM 73 C ASN A 5 10.869 -8.898 9.249 1.00 73.33 C ATOM 74 O ASN A 5 9.995 -8.210 8.700 1.00 11.40 O ATOM 75 CB ASN A 5 10.652 -10.658 11.107 1.00 62.35 C ATOM 76 CG ASN A 5 9.256 -11.188 10.776 1.00 71.51 C ATOM 77 OD1 ASN A 5 8.982 -11.625 9.665 1.00 32.44 O ATOM 78 ND2 ASN A 5 8.356 -11.136 11.738 1.00 61.21 N ATOM 0 H ASN A 5 8.936 -8.900 11.679 1.00 1.03 H new ATOM 0 HA ASN A 5 11.792 -8.824 11.180 1.00 3.12 H new ATOM 0 HB2 ASN A 5 11.392 -11.231 10.549 1.00 62.35 H new ATOM 0 HB3 ASN A 5 10.854 -10.822 12.166 1.00 62.35 H new ATOM 0 HD21 ASN A 5 7.406 -11.464 11.566 1.00 61.21 H new ATOM 0 HD22 ASN A 5 8.610 -10.767 12.655 1.00 61.21 H new ATOM 85 N VAL A 6 11.881 -9.500 8.581 1.00 45.11 N ATOM 86 CA VAL A 6 12.256 -9.201 7.172 1.00 54.14 C ATOM 87 C VAL A 6 12.697 -7.713 7.055 1.00 41.23 C ATOM 88 O VAL A 6 11.940 -6.842 6.601 1.00 64.44 O ATOM 89 CB VAL A 6 11.126 -9.572 6.117 1.00 21.45 C ATOM 90 CG1 VAL A 6 11.608 -9.354 4.657 1.00 52.34 C ATOM 91 CG2 VAL A 6 10.624 -11.029 6.315 1.00 0.15 C ATOM 0 H VAL A 6 12.469 -10.216 9.007 1.00 45.11 H new ATOM 0 HA VAL A 6 13.096 -9.846 6.915 1.00 54.14 H new ATOM 0 HB VAL A 6 10.290 -8.896 6.296 1.00 21.45 H new ATOM 0 HG11 VAL A 6 10.807 -9.619 3.966 1.00 52.34 H new ATOM 0 HG12 VAL A 6 11.878 -8.308 4.515 1.00 52.34 H new ATOM 0 HG13 VAL A 6 12.477 -9.983 4.463 1.00 52.34 H new ATOM 0 HG21 VAL A 6 9.852 -11.251 5.578 1.00 0.15 H new ATOM 0 HG22 VAL A 6 11.457 -11.721 6.188 1.00 0.15 H new ATOM 0 HG23 VAL A 6 10.211 -11.138 7.318 1.00 0.15 H new ATOM 101 N ILE A 7 13.922 -7.440 7.542 1.00 34.02 N ATOM 102 CA ILE A 7 14.467 -6.074 7.650 1.00 45.43 C ATOM 103 C ILE A 7 14.949 -5.595 6.258 1.00 11.50 C ATOM 104 O ILE A 7 16.006 -6.014 5.762 1.00 31.42 O ATOM 105 CB ILE A 7 15.638 -5.962 8.721 1.00 70.20 C ATOM 106 CG1 ILE A 7 15.156 -6.341 10.179 1.00 61.12 C ATOM 107 CG2 ILE A 7 16.262 -4.536 8.716 1.00 51.34 C ATOM 108 CD1 ILE A 7 14.871 -7.819 10.431 1.00 41.24 C ATOM 0 H ILE A 7 14.563 -8.162 7.872 1.00 34.02 H new ATOM 0 HA ILE A 7 13.665 -5.427 8.004 1.00 45.43 H new ATOM 0 HB ILE A 7 16.400 -6.684 8.429 1.00 70.20 H new ATOM 0 HG12 ILE A 7 15.917 -6.013 10.887 1.00 61.12 H new ATOM 0 HG13 ILE A 7 14.251 -5.775 10.399 1.00 61.12 H new ATOM 0 HG21 ILE A 7 17.060 -4.485 9.457 1.00 51.34 H new ATOM 0 HG22 ILE A 7 16.670 -4.321 7.728 1.00 51.34 H new ATOM 0 HG23 ILE A 7 15.494 -3.802 8.959 1.00 51.34 H new ATOM 0 HD11 ILE A 7 14.549 -7.957 11.463 1.00 41.24 H new ATOM 0 HD12 ILE A 7 14.084 -8.158 9.757 1.00 41.24 H new ATOM 0 HD13 ILE A 7 15.776 -8.400 10.253 1.00 41.24 H new ATOM 120 N LYS A 8 14.127 -4.748 5.619 1.00 34.41 N ATOM 121 CA LYS A 8 14.434 -4.144 4.310 1.00 33.01 C ATOM 122 C LYS A 8 14.373 -2.600 4.403 1.00 32.10 C ATOM 123 O LYS A 8 13.488 -2.030 5.060 1.00 13.41 O ATOM 124 CB LYS A 8 13.465 -4.691 3.226 1.00 32.21 C ATOM 125 CG LYS A 8 11.964 -4.491 3.537 1.00 2.22 C ATOM 126 CD LYS A 8 11.046 -5.003 2.401 1.00 14.42 C ATOM 127 CE LYS A 8 9.565 -4.731 2.683 1.00 41.21 C ATOM 128 NZ LYS A 8 9.298 -3.286 2.883 1.00 22.42 N ATOM 0 H LYS A 8 13.225 -4.460 5.997 1.00 34.41 H new ATOM 0 HA LYS A 8 15.448 -4.418 4.019 1.00 33.01 H new ATOM 0 HB2 LYS A 8 13.693 -4.206 2.277 1.00 32.21 H new ATOM 0 HB3 LYS A 8 13.655 -5.756 3.093 1.00 32.21 H new ATOM 0 HG2 LYS A 8 11.716 -5.012 4.462 1.00 2.22 H new ATOM 0 HG3 LYS A 8 11.770 -3.432 3.706 1.00 2.22 H new ATOM 0 HD2 LYS A 8 11.329 -4.523 1.464 1.00 14.42 H new ATOM 0 HD3 LYS A 8 11.198 -6.074 2.269 1.00 14.42 H new ATOM 0 HE2 LYS A 8 8.963 -5.100 1.852 1.00 41.21 H new ATOM 0 HE3 LYS A 8 9.257 -5.284 3.570 1.00 41.21 H new ATOM 0 HZ1 LYS A 8 8.457 -3.009 2.337 1.00 22.42 H new ATOM 0 HZ2 LYS A 8 9.131 -3.100 3.893 1.00 22.42 H new ATOM 0 HZ3 LYS A 8 10.118 -2.734 2.560 1.00 22.42 H new ATOM 142 N LYS A 9 15.342 -1.945 3.752 1.00 61.01 N ATOM 143 CA LYS A 9 15.519 -0.474 3.764 1.00 51.30 C ATOM 144 C LYS A 9 16.196 -0.018 2.451 1.00 4.23 C ATOM 145 O LYS A 9 16.850 -0.828 1.773 1.00 14.43 O ATOM 146 CB LYS A 9 16.344 -0.044 5.020 1.00 1.04 C ATOM 147 CG LYS A 9 17.638 -0.862 5.244 1.00 52.32 C ATOM 148 CD LYS A 9 18.331 -0.561 6.592 1.00 31.35 C ATOM 149 CE LYS A 9 19.531 -1.494 6.853 1.00 22.24 C ATOM 150 NZ LYS A 9 20.195 -1.207 8.152 1.00 53.54 N ATOM 0 H LYS A 9 16.043 -2.426 3.188 1.00 61.01 H new ATOM 0 HA LYS A 9 14.545 0.012 3.826 1.00 51.30 H new ATOM 0 HB2 LYS A 9 16.606 1.010 4.924 1.00 1.04 H new ATOM 0 HB3 LYS A 9 15.713 -0.136 5.904 1.00 1.04 H new ATOM 0 HG2 LYS A 9 17.400 -1.925 5.196 1.00 52.32 H new ATOM 0 HG3 LYS A 9 18.335 -0.655 4.432 1.00 52.32 H new ATOM 0 HD2 LYS A 9 18.670 0.475 6.601 1.00 31.35 H new ATOM 0 HD3 LYS A 9 17.608 -0.667 7.401 1.00 31.35 H new ATOM 0 HE2 LYS A 9 19.192 -2.530 6.841 1.00 22.24 H new ATOM 0 HE3 LYS A 9 20.255 -1.386 6.045 1.00 22.24 H new ATOM 0 HZ1 LYS A 9 20.995 -1.858 8.284 1.00 53.54 H new ATOM 0 HZ2 LYS A 9 20.542 -0.227 8.155 1.00 53.54 H new ATOM 0 HZ3 LYS A 9 19.513 -1.335 8.926 1.00 53.54 H new ATOM 164 N LYS A 10 16.031 1.282 2.118 1.00 31.42 N ATOM 165 CA LYS A 10 16.416 1.880 0.804 1.00 62.21 C ATOM 166 C LYS A 10 15.558 1.306 -0.369 1.00 44.13 C ATOM 167 O LYS A 10 14.551 0.615 -0.154 1.00 63.12 O ATOM 168 CB LYS A 10 17.946 1.721 0.504 1.00 64.20 C ATOM 169 CG LYS A 10 18.891 2.343 1.558 1.00 60.32 C ATOM 170 CD LYS A 10 20.385 2.255 1.147 1.00 41.32 C ATOM 171 CE LYS A 10 20.853 0.811 0.867 1.00 51.42 C ATOM 172 NZ LYS A 10 22.286 0.757 0.475 1.00 21.12 N ATOM 0 H LYS A 10 15.621 1.962 2.759 1.00 31.42 H new ATOM 0 HA LYS A 10 16.208 2.947 0.881 1.00 62.21 H new ATOM 0 HB2 LYS A 10 18.174 0.659 0.416 1.00 64.20 H new ATOM 0 HB3 LYS A 10 18.159 2.174 -0.464 1.00 64.20 H new ATOM 0 HG2 LYS A 10 18.621 3.388 1.711 1.00 60.32 H new ATOM 0 HG3 LYS A 10 18.750 1.835 2.512 1.00 60.32 H new ATOM 0 HD2 LYS A 10 20.547 2.862 0.256 1.00 41.32 H new ATOM 0 HD3 LYS A 10 20.999 2.682 1.940 1.00 41.32 H new ATOM 0 HE2 LYS A 10 20.697 0.200 1.756 1.00 51.42 H new ATOM 0 HE3 LYS A 10 20.243 0.380 0.073 1.00 51.42 H new ATOM 0 HZ1 LYS A 10 22.560 -0.230 0.296 1.00 21.12 H new ATOM 0 HZ2 LYS A 10 22.431 1.319 -0.388 1.00 21.12 H new ATOM 0 HZ3 LYS A 10 22.871 1.145 1.243 1.00 21.12 H new ATOM 186 N GLY A 11 15.957 1.626 -1.617 1.00 1.53 N ATOM 187 CA GLY A 11 15.278 1.123 -2.826 1.00 24.42 C ATOM 188 C GLY A 11 14.788 2.245 -3.742 1.00 51.23 C ATOM 189 O GLY A 11 14.797 3.422 -3.357 1.00 23.14 O ATOM 0 H GLY A 11 16.752 2.235 -1.813 1.00 1.53 H new ATOM 0 HA2 GLY A 11 15.962 0.481 -3.380 1.00 24.42 H new ATOM 0 HA3 GLY A 11 14.430 0.505 -2.530 1.00 24.42 H new ATOM 193 N GLU A 12 14.355 1.882 -4.959 1.00 10.11 N ATOM 194 CA GLU A 12 13.882 2.852 -5.969 1.00 24.14 C ATOM 195 C GLU A 12 12.369 3.159 -5.819 1.00 34.00 C ATOM 196 O GLU A 12 11.514 2.385 -6.271 1.00 12.14 O ATOM 197 CB GLU A 12 14.210 2.320 -7.392 1.00 53.11 C ATOM 198 CG GLU A 12 15.721 2.199 -7.684 1.00 62.32 C ATOM 199 CD GLU A 12 16.462 3.551 -7.643 1.00 72.53 C ATOM 200 OE1 GLU A 12 16.339 4.337 -8.611 1.00 53.24 O ATOM 201 OE2 GLU A 12 17.163 3.837 -6.645 1.00 74.14 O ATOM 0 H GLU A 12 14.321 0.912 -5.274 1.00 10.11 H new ATOM 0 HA GLU A 12 14.405 3.795 -5.809 1.00 24.14 H new ATOM 0 HB2 GLU A 12 13.746 1.342 -7.519 1.00 53.11 H new ATOM 0 HB3 GLU A 12 13.760 2.984 -8.130 1.00 53.11 H new ATOM 0 HG2 GLU A 12 16.171 1.524 -6.956 1.00 62.32 H new ATOM 0 HG3 GLU A 12 15.859 1.747 -8.666 1.00 62.32 H new ATOM 208 N ILE A 13 12.054 4.275 -5.125 1.00 0.20 N ATOM 209 CA ILE A 13 10.687 4.836 -5.068 1.00 5.15 C ATOM 210 C ILE A 13 10.713 6.258 -5.684 1.00 62.05 C ATOM 211 O ILE A 13 11.469 7.121 -5.225 1.00 13.40 O ATOM 212 CB ILE A 13 10.070 4.928 -3.604 1.00 24.42 C ATOM 213 CG1 ILE A 13 10.315 3.632 -2.740 1.00 65.54 C ATOM 214 CG2 ILE A 13 8.549 5.226 -3.690 1.00 71.34 C ATOM 215 CD1 ILE A 13 11.686 3.527 -2.085 1.00 3.41 C ATOM 0 H ILE A 13 12.738 4.810 -4.590 1.00 0.20 H new ATOM 0 HA ILE A 13 10.050 4.150 -5.625 1.00 5.15 H new ATOM 0 HB ILE A 13 10.587 5.743 -3.098 1.00 24.42 H new ATOM 0 HG12 ILE A 13 9.555 3.588 -1.960 1.00 65.54 H new ATOM 0 HG13 ILE A 13 10.169 2.760 -3.377 1.00 65.54 H new ATOM 0 HG21 ILE A 13 8.133 5.288 -2.684 1.00 71.34 H new ATOM 0 HG22 ILE A 13 8.392 6.173 -4.206 1.00 71.34 H new ATOM 0 HG23 ILE A 13 8.052 4.427 -4.240 1.00 71.34 H new ATOM 0 HD11 ILE A 13 11.747 2.599 -1.516 1.00 3.41 H new ATOM 0 HD12 ILE A 13 12.458 3.532 -2.854 1.00 3.41 H new ATOM 0 HD13 ILE A 13 11.835 4.374 -1.415 1.00 3.41 H new ATOM 227 N ILE A 14 9.898 6.487 -6.725 1.00 63.21 N ATOM 228 CA ILE A 14 9.804 7.810 -7.406 1.00 24.34 C ATOM 229 C ILE A 14 8.885 8.801 -6.635 1.00 50.33 C ATOM 230 O ILE A 14 9.002 10.025 -6.777 1.00 11.41 O ATOM 231 CB ILE A 14 9.309 7.650 -8.894 1.00 22.12 C ATOM 232 CG1 ILE A 14 7.894 6.978 -8.946 1.00 53.32 C ATOM 233 CG2 ILE A 14 10.343 6.845 -9.727 1.00 43.44 C ATOM 234 CD1 ILE A 14 7.290 6.853 -10.336 1.00 10.42 C ATOM 0 H ILE A 14 9.286 5.775 -7.124 1.00 63.21 H new ATOM 0 HA ILE A 14 10.810 8.231 -7.416 1.00 24.34 H new ATOM 0 HB ILE A 14 9.218 8.643 -9.334 1.00 22.12 H new ATOM 0 HG12 ILE A 14 7.965 5.983 -8.507 1.00 53.32 H new ATOM 0 HG13 ILE A 14 7.212 7.554 -8.321 1.00 53.32 H new ATOM 0 HG21 ILE A 14 9.985 6.744 -10.752 1.00 43.44 H new ATOM 0 HG22 ILE A 14 11.298 7.370 -9.726 1.00 43.44 H new ATOM 0 HG23 ILE A 14 10.472 5.855 -9.289 1.00 43.44 H new ATOM 0 HD11 ILE A 14 6.312 6.376 -10.266 1.00 10.42 H new ATOM 0 HD12 ILE A 14 7.180 7.844 -10.775 1.00 10.42 H new ATOM 0 HD13 ILE A 14 7.944 6.249 -10.964 1.00 10.42 H new ATOM 246 N ILE A 15 7.985 8.239 -5.817 1.00 24.51 N ATOM 247 CA ILE A 15 7.047 8.999 -4.955 1.00 3.25 C ATOM 248 C ILE A 15 7.651 9.146 -3.524 1.00 3.24 C ATOM 249 O ILE A 15 8.508 8.345 -3.126 1.00 14.03 O ATOM 250 CB ILE A 15 5.653 8.255 -4.868 1.00 52.20 C ATOM 251 CG1 ILE A 15 5.132 7.839 -6.286 1.00 22.45 C ATOM 252 CG2 ILE A 15 4.593 9.118 -4.132 1.00 50.23 C ATOM 253 CD1 ILE A 15 3.902 6.934 -6.275 1.00 65.45 C ATOM 0 H ILE A 15 7.880 7.228 -5.728 1.00 24.51 H new ATOM 0 HA ILE A 15 6.893 9.987 -5.390 1.00 3.25 H new ATOM 0 HB ILE A 15 5.814 7.346 -4.288 1.00 52.20 H new ATOM 0 HG12 ILE A 15 4.897 8.741 -6.851 1.00 22.45 H new ATOM 0 HG13 ILE A 15 5.936 7.330 -6.818 1.00 22.45 H new ATOM 0 HG21 ILE A 15 3.648 8.576 -4.091 1.00 50.23 H new ATOM 0 HG22 ILE A 15 4.935 9.329 -3.119 1.00 50.23 H new ATOM 0 HG23 ILE A 15 4.450 10.056 -4.669 1.00 50.23 H new ATOM 0 HD11 ILE A 15 3.614 6.699 -7.300 1.00 65.45 H new ATOM 0 HD12 ILE A 15 4.134 6.012 -5.742 1.00 65.45 H new ATOM 0 HD13 ILE A 15 3.079 7.445 -5.775 1.00 65.45 H new ATOM 265 N LEU A 16 7.222 10.163 -2.754 1.00 23.43 N ATOM 266 CA LEU A 16 7.667 10.337 -1.353 1.00 30.03 C ATOM 267 C LEU A 16 6.902 9.359 -0.405 1.00 52.22 C ATOM 268 O LEU A 16 5.796 9.655 0.065 1.00 42.40 O ATOM 269 CB LEU A 16 7.498 11.820 -0.913 1.00 43.14 C ATOM 270 CG LEU A 16 8.104 12.201 0.477 1.00 2.21 C ATOM 271 CD1 LEU A 16 9.630 11.947 0.512 1.00 31.15 C ATOM 272 CD2 LEU A 16 7.778 13.669 0.844 1.00 62.22 C ATOM 0 H LEU A 16 6.569 10.877 -3.075 1.00 23.43 H new ATOM 0 HA LEU A 16 8.727 10.090 -1.286 1.00 30.03 H new ATOM 0 HB2 LEU A 16 7.954 12.456 -1.671 1.00 43.14 H new ATOM 0 HB3 LEU A 16 6.433 12.054 -0.898 1.00 43.14 H new ATOM 0 HG LEU A 16 7.642 11.558 1.226 1.00 2.21 H new ATOM 0 HD11 LEU A 16 10.022 12.222 1.491 1.00 31.15 H new ATOM 0 HD12 LEU A 16 9.828 10.892 0.325 1.00 31.15 H new ATOM 0 HD13 LEU A 16 10.117 12.549 -0.255 1.00 31.15 H new ATOM 0 HD21 LEU A 16 8.212 13.906 1.815 1.00 62.22 H new ATOM 0 HD22 LEU A 16 8.195 14.334 0.088 1.00 62.22 H new ATOM 0 HD23 LEU A 16 6.697 13.802 0.887 1.00 62.22 H new ATOM 284 N TRP A 17 7.491 8.165 -0.202 1.00 30.14 N ATOM 285 CA TRP A 17 6.994 7.122 0.740 1.00 42.34 C ATOM 286 C TRP A 17 8.048 6.858 1.845 1.00 70.45 C ATOM 287 O TRP A 17 9.254 6.939 1.582 1.00 25.12 O ATOM 288 CB TRP A 17 6.698 5.795 -0.022 1.00 11.54 C ATOM 289 CG TRP A 17 5.426 5.825 -0.843 1.00 2.05 C ATOM 290 CD1 TRP A 17 5.295 6.023 -2.184 1.00 25.43 C ATOM 291 CD2 TRP A 17 4.101 5.645 -0.343 1.00 54.43 C ATOM 292 NE1 TRP A 17 3.970 5.975 -2.543 1.00 14.53 N ATOM 293 CE2 TRP A 17 3.219 5.743 -1.426 1.00 1.25 C ATOM 294 CE3 TRP A 17 3.587 5.403 0.924 1.00 33.01 C ATOM 295 CZ2 TRP A 17 1.844 5.612 -1.275 1.00 43.34 C ATOM 296 CZ3 TRP A 17 2.226 5.276 1.078 1.00 0.12 C ATOM 297 CH2 TRP A 17 1.361 5.378 -0.016 1.00 71.33 C ATOM 0 H TRP A 17 8.341 7.885 -0.692 1.00 30.14 H new ATOM 0 HA TRP A 17 6.072 7.483 1.196 1.00 42.34 H new ATOM 0 HB2 TRP A 17 7.538 5.571 -0.680 1.00 11.54 H new ATOM 0 HB3 TRP A 17 6.633 4.981 0.700 1.00 11.54 H new ATOM 0 HD1 TRP A 17 6.114 6.193 -2.867 1.00 25.43 H new ATOM 0 HE1 TRP A 17 3.607 6.093 -3.489 1.00 14.53 H new ATOM 0 HE3 TRP A 17 4.246 5.316 1.775 1.00 33.01 H new ATOM 0 HZ2 TRP A 17 1.179 5.692 -2.122 1.00 43.34 H new ATOM 0 HZ3 TRP A 17 1.818 5.094 2.061 1.00 0.12 H new ATOM 0 HH2 TRP A 17 0.297 5.271 0.135 1.00 71.33 H new ATOM 308 N THR A 18 7.594 6.543 3.078 1.00 33.00 N ATOM 309 CA THR A 18 8.503 6.120 4.185 1.00 71.51 C ATOM 310 C THR A 18 8.449 4.590 4.352 1.00 12.41 C ATOM 311 O THR A 18 7.530 3.943 3.845 1.00 71.54 O ATOM 312 CB THR A 18 8.134 6.784 5.564 1.00 13.44 C ATOM 313 OG1 THR A 18 6.962 6.161 6.133 1.00 3.45 O ATOM 314 CG2 THR A 18 7.890 8.296 5.421 1.00 4.31 C ATOM 0 H THR A 18 6.608 6.571 3.339 1.00 33.00 H new ATOM 0 HA THR A 18 9.504 6.449 3.908 1.00 71.51 H new ATOM 0 HB THR A 18 8.985 6.634 6.229 1.00 13.44 H new ATOM 0 HG1 THR A 18 6.160 6.508 5.690 1.00 3.45 H new ATOM 0 HG21 THR A 18 7.638 8.718 6.394 1.00 4.31 H new ATOM 0 HG22 THR A 18 8.792 8.776 5.040 1.00 4.31 H new ATOM 0 HG23 THR A 18 7.067 8.468 4.727 1.00 4.31 H new ATOM 322 N ARG A 19 9.419 4.026 5.098 1.00 53.32 N ATOM 323 CA ARG A 19 9.470 2.572 5.403 1.00 12.43 C ATOM 324 C ARG A 19 8.283 2.144 6.310 1.00 34.33 C ATOM 325 O ARG A 19 7.921 0.967 6.361 1.00 14.20 O ATOM 326 CB ARG A 19 10.828 2.226 6.084 1.00 42.22 C ATOM 327 CG ARG A 19 10.978 2.741 7.543 1.00 3.52 C ATOM 328 CD ARG A 19 12.435 2.716 8.044 1.00 75.22 C ATOM 329 NE ARG A 19 13.267 3.682 7.307 1.00 35.01 N ATOM 330 CZ ARG A 19 14.576 3.780 7.370 1.00 44.45 C ATOM 331 NH1 ARG A 19 15.282 2.985 8.105 1.00 71.12 N ATOM 332 NH2 ARG A 19 15.171 4.689 6.676 1.00 31.44 N ATOM 0 H ARG A 19 10.188 4.557 5.507 1.00 53.32 H new ATOM 0 HA ARG A 19 9.386 2.020 4.467 1.00 12.43 H new ATOM 0 HB2 ARG A 19 10.954 1.143 6.082 1.00 42.22 H new ATOM 0 HB3 ARG A 19 11.636 2.642 5.482 1.00 42.22 H new ATOM 0 HG2 ARG A 19 10.596 3.760 7.604 1.00 3.52 H new ATOM 0 HG3 ARG A 19 10.362 2.130 8.203 1.00 3.52 H new ATOM 0 HD2 ARG A 19 12.460 2.948 9.109 1.00 75.22 H new ATOM 0 HD3 ARG A 19 12.846 1.713 7.926 1.00 75.22 H new ATOM 0 HE ARG A 19 12.783 4.335 6.691 1.00 35.01 H new ATOM 0 HH11 ARG A 19 14.824 2.258 8.655 1.00 71.12 H new ATOM 0 HH12 ARG A 19 16.297 3.084 8.135 1.00 71.12 H new ATOM 0 HH21 ARG A 19 14.626 5.320 6.088 1.00 31.44 H new ATOM 0 HH22 ARG A 19 16.186 4.777 6.715 1.00 31.44 H new ATOM 346 N ASN A 20 7.698 3.130 7.022 1.00 55.30 N ATOM 347 CA ASN A 20 6.558 2.928 7.934 1.00 54.33 C ATOM 348 C ASN A 20 5.256 2.740 7.123 1.00 22.22 C ATOM 349 O ASN A 20 4.540 1.757 7.311 1.00 63.54 O ATOM 350 CB ASN A 20 6.434 4.152 8.885 1.00 62.12 C ATOM 351 CG ASN A 20 7.760 4.511 9.566 1.00 22.05 C ATOM 352 OD1 ASN A 20 8.687 4.997 8.922 1.00 60.33 O ATOM 353 ND2 ASN A 20 7.862 4.319 10.866 1.00 2.13 N ATOM 0 H ASN A 20 8.010 4.100 6.977 1.00 55.30 H new ATOM 0 HA ASN A 20 6.724 2.030 8.529 1.00 54.33 H new ATOM 0 HB2 ASN A 20 6.077 5.012 8.318 1.00 62.12 H new ATOM 0 HB3 ASN A 20 5.685 3.940 9.648 1.00 62.12 H new ATOM 0 HD21 ASN A 20 8.721 4.575 11.354 1.00 2.13 H new ATOM 0 HD22 ASN A 20 7.082 3.914 11.384 1.00 2.13 H new ATOM 360 N ASP A 21 5.001 3.673 6.175 1.00 54.41 N ATOM 361 CA ASP A 21 3.826 3.608 5.266 1.00 15.42 C ATOM 362 C ASP A 21 3.908 2.358 4.359 1.00 3.15 C ATOM 363 O ASP A 21 2.913 1.670 4.136 1.00 14.24 O ATOM 364 CB ASP A 21 3.749 4.870 4.375 1.00 41.22 C ATOM 365 CG ASP A 21 3.725 6.196 5.149 1.00 3.34 C ATOM 366 OD1 ASP A 21 2.864 6.371 6.031 1.00 74.04 O ATOM 367 OD2 ASP A 21 4.570 7.071 4.870 1.00 44.34 O ATOM 0 H ASP A 21 5.597 4.486 6.018 1.00 54.41 H new ATOM 0 HA ASP A 21 2.932 3.550 5.887 1.00 15.42 H new ATOM 0 HB2 ASP A 21 4.604 4.874 3.699 1.00 41.22 H new ATOM 0 HB3 ASP A 21 2.853 4.809 3.757 1.00 41.22 H new ATOM 372 N ASP A 22 5.128 2.106 3.857 1.00 24.12 N ATOM 373 CA ASP A 22 5.482 0.925 3.030 1.00 52.24 C ATOM 374 C ASP A 22 5.087 -0.401 3.741 1.00 61.01 C ATOM 375 O ASP A 22 4.425 -1.274 3.162 1.00 2.12 O ATOM 376 CB ASP A 22 7.016 0.979 2.783 1.00 53.23 C ATOM 377 CG ASP A 22 7.576 -0.081 1.823 1.00 3.43 C ATOM 378 OD1 ASP A 22 7.654 -1.268 2.203 1.00 63.01 O ATOM 379 OD2 ASP A 22 7.960 0.271 0.687 1.00 23.03 O ATOM 0 H ASP A 22 5.920 2.729 4.015 1.00 24.12 H new ATOM 0 HA ASP A 22 4.937 0.949 2.087 1.00 52.24 H new ATOM 0 HB2 ASP A 22 7.268 1.965 2.392 1.00 53.23 H new ATOM 0 HB3 ASP A 22 7.523 0.877 3.742 1.00 53.23 H new ATOM 384 N ARG A 23 5.511 -0.520 5.017 1.00 45.42 N ATOM 385 CA ARG A 23 5.261 -1.716 5.853 1.00 62.23 C ATOM 386 C ARG A 23 3.762 -1.843 6.257 1.00 62.34 C ATOM 387 O ARG A 23 3.267 -2.955 6.455 1.00 13.45 O ATOM 388 CB ARG A 23 6.273 -1.731 7.076 1.00 62.23 C ATOM 389 CG ARG A 23 5.706 -2.021 8.501 1.00 43.41 C ATOM 390 CD ARG A 23 5.172 -0.760 9.214 1.00 51.35 C ATOM 391 NE ARG A 23 4.523 -1.066 10.500 1.00 65.32 N ATOM 392 CZ ARG A 23 3.290 -1.514 10.648 1.00 21.42 C ATOM 393 NH1 ARG A 23 2.564 -1.843 9.621 1.00 63.40 N ATOM 394 NH2 ARG A 23 2.806 -1.670 11.830 1.00 4.21 N ATOM 0 H ARG A 23 6.037 0.210 5.498 1.00 45.42 H new ATOM 0 HA ARG A 23 5.457 -2.616 5.269 1.00 62.23 H new ATOM 0 HB2 ARG A 23 7.039 -2.477 6.865 1.00 62.23 H new ATOM 0 HB3 ARG A 23 6.772 -0.762 7.107 1.00 62.23 H new ATOM 0 HG2 ARG A 23 4.902 -2.753 8.423 1.00 43.41 H new ATOM 0 HG3 ARG A 23 6.489 -2.471 9.111 1.00 43.41 H new ATOM 0 HD2 ARG A 23 5.996 -0.067 9.383 1.00 51.35 H new ATOM 0 HD3 ARG A 23 4.459 -0.254 8.563 1.00 51.35 H new ATOM 0 HE ARG A 23 5.072 -0.920 11.347 1.00 65.32 H new ATOM 0 HH11 ARG A 23 2.945 -1.757 8.679 1.00 63.40 H new ATOM 0 HH12 ARG A 23 1.614 -2.187 9.758 1.00 63.40 H new ATOM 0 HH21 ARG A 23 3.374 -1.448 12.647 1.00 4.21 H new ATOM 0 HH22 ARG A 23 1.854 -2.016 11.950 1.00 4.21 H new ATOM 408 N VAL A 24 3.051 -0.702 6.371 1.00 1.44 N ATOM 409 CA VAL A 24 1.585 -0.690 6.618 1.00 44.25 C ATOM 410 C VAL A 24 0.810 -1.213 5.381 1.00 4.11 C ATOM 411 O VAL A 24 -0.147 -1.982 5.538 1.00 0.42 O ATOM 412 CB VAL A 24 1.062 0.743 7.031 1.00 54.42 C ATOM 413 CG1 VAL A 24 -0.488 0.823 7.063 1.00 53.22 C ATOM 414 CG2 VAL A 24 1.643 1.182 8.398 1.00 44.03 C ATOM 0 H VAL A 24 3.465 0.227 6.296 1.00 1.44 H new ATOM 0 HA VAL A 24 1.399 -1.360 7.457 1.00 44.25 H new ATOM 0 HB VAL A 24 1.413 1.429 6.260 1.00 54.42 H new ATOM 0 HG11 VAL A 24 -0.795 1.828 7.352 1.00 53.22 H new ATOM 0 HG12 VAL A 24 -0.885 0.593 6.074 1.00 53.22 H new ATOM 0 HG13 VAL A 24 -0.875 0.104 7.785 1.00 53.22 H new ATOM 0 HG21 VAL A 24 1.264 2.172 8.653 1.00 44.03 H new ATOM 0 HG22 VAL A 24 1.344 0.469 9.166 1.00 44.03 H new ATOM 0 HG23 VAL A 24 2.731 1.215 8.337 1.00 44.03 H new ATOM 424 N ILE A 25 1.250 -0.810 4.162 1.00 20.33 N ATOM 425 CA ILE A 25 0.657 -1.307 2.893 1.00 73.02 C ATOM 426 C ILE A 25 0.737 -2.847 2.832 1.00 50.34 C ATOM 427 O ILE A 25 -0.287 -3.509 2.820 1.00 2.14 O ATOM 428 CB ILE A 25 1.360 -0.680 1.617 1.00 3.20 C ATOM 429 CG1 ILE A 25 1.038 0.844 1.493 1.00 32.41 C ATOM 430 CG2 ILE A 25 0.967 -1.421 0.305 1.00 61.10 C ATOM 431 CD1 ILE A 25 1.820 1.576 0.409 1.00 71.03 C ATOM 0 H ILE A 25 2.011 -0.144 4.031 1.00 20.33 H new ATOM 0 HA ILE A 25 -0.387 -0.994 2.882 1.00 73.02 H new ATOM 0 HB ILE A 25 2.434 -0.804 1.757 1.00 3.20 H new ATOM 0 HG12 ILE A 25 -0.027 0.961 1.295 1.00 32.41 H new ATOM 0 HG13 ILE A 25 1.238 1.323 2.452 1.00 32.41 H new ATOM 0 HG21 ILE A 25 1.473 -0.956 -0.541 1.00 61.10 H new ATOM 0 HG22 ILE A 25 1.264 -2.467 0.375 1.00 61.10 H new ATOM 0 HG23 ILE A 25 -0.112 -1.359 0.161 1.00 61.10 H new ATOM 0 HD11 ILE A 25 1.530 2.627 0.398 1.00 71.03 H new ATOM 0 HD12 ILE A 25 2.888 1.496 0.614 1.00 71.03 H new ATOM 0 HD13 ILE A 25 1.602 1.129 -0.561 1.00 71.03 H new ATOM 443 N LEU A 26 1.963 -3.396 2.897 1.00 33.21 N ATOM 444 CA LEU A 26 2.199 -4.857 2.774 1.00 45.43 C ATOM 445 C LEU A 26 1.471 -5.676 3.864 1.00 12.11 C ATOM 446 O LEU A 26 1.012 -6.785 3.598 1.00 23.31 O ATOM 447 CB LEU A 26 3.720 -5.161 2.803 1.00 61.23 C ATOM 448 CG LEU A 26 4.529 -4.684 1.562 1.00 51.23 C ATOM 449 CD1 LEU A 26 6.033 -4.979 1.733 1.00 51.52 C ATOM 450 CD2 LEU A 26 3.977 -5.315 0.258 1.00 51.44 C ATOM 0 H LEU A 26 2.814 -2.851 3.035 1.00 33.21 H new ATOM 0 HA LEU A 26 1.782 -5.164 1.815 1.00 45.43 H new ATOM 0 HB2 LEU A 26 4.147 -4.697 3.692 1.00 61.23 H new ATOM 0 HB3 LEU A 26 3.854 -6.237 2.909 1.00 61.23 H new ATOM 0 HG LEU A 26 4.410 -3.603 1.482 1.00 51.23 H new ATOM 0 HD11 LEU A 26 6.574 -4.635 0.851 1.00 51.52 H new ATOM 0 HD12 LEU A 26 6.408 -4.459 2.614 1.00 51.52 H new ATOM 0 HD13 LEU A 26 6.182 -6.052 1.854 1.00 51.52 H new ATOM 0 HD21 LEU A 26 4.562 -4.964 -0.592 1.00 51.44 H new ATOM 0 HD22 LEU A 26 4.046 -6.401 0.322 1.00 51.44 H new ATOM 0 HD23 LEU A 26 2.935 -5.025 0.126 1.00 51.44 H new ATOM 462 N LEU A 27 1.357 -5.104 5.072 1.00 35.05 N ATOM 463 CA LEU A 27 0.765 -5.793 6.241 1.00 14.10 C ATOM 464 C LEU A 27 -0.785 -5.863 6.160 1.00 23.44 C ATOM 465 O LEU A 27 -1.369 -6.952 6.218 1.00 52.25 O ATOM 466 CB LEU A 27 1.224 -5.084 7.541 1.00 44.24 C ATOM 467 CG LEU A 27 0.790 -5.729 8.893 1.00 74.10 C ATOM 468 CD1 LEU A 27 1.246 -7.204 8.991 1.00 65.44 C ATOM 469 CD2 LEU A 27 1.328 -4.897 10.080 1.00 71.10 C ATOM 0 H LEU A 27 1.670 -4.154 5.271 1.00 35.05 H new ATOM 0 HA LEU A 27 1.119 -6.824 6.245 1.00 14.10 H new ATOM 0 HB2 LEU A 27 2.312 -5.025 7.528 1.00 44.24 H new ATOM 0 HB3 LEU A 27 0.849 -4.061 7.519 1.00 44.24 H new ATOM 0 HG LEU A 27 -0.299 -5.727 8.935 1.00 74.10 H new ATOM 0 HD11 LEU A 27 0.926 -7.621 9.946 1.00 65.44 H new ATOM 0 HD12 LEU A 27 0.801 -7.777 8.178 1.00 65.44 H new ATOM 0 HD13 LEU A 27 2.332 -7.255 8.919 1.00 65.44 H new ATOM 0 HD21 LEU A 27 1.018 -5.358 11.018 1.00 71.10 H new ATOM 0 HD22 LEU A 27 2.417 -4.861 10.036 1.00 71.10 H new ATOM 0 HD23 LEU A 27 0.929 -3.884 10.025 1.00 71.10 H new ATOM 481 N GLU A 28 -1.446 -4.697 6.042 1.00 74.22 N ATOM 482 CA GLU A 28 -2.932 -4.615 6.031 1.00 31.24 C ATOM 483 C GLU A 28 -3.547 -5.021 4.671 1.00 13.10 C ATOM 484 O GLU A 28 -4.740 -5.350 4.606 1.00 72.50 O ATOM 485 CB GLU A 28 -3.420 -3.213 6.471 1.00 15.50 C ATOM 486 CG GLU A 28 -2.847 -2.756 7.829 1.00 54.33 C ATOM 487 CD GLU A 28 -3.614 -1.588 8.476 1.00 11.33 C ATOM 488 OE1 GLU A 28 -3.494 -0.438 8.005 1.00 63.12 O ATOM 489 OE2 GLU A 28 -4.345 -1.819 9.462 1.00 2.32 O ATOM 0 H GLU A 28 -0.981 -3.794 5.952 1.00 74.22 H new ATOM 0 HA GLU A 28 -3.286 -5.344 6.760 1.00 31.24 H new ATOM 0 HB2 GLU A 28 -3.145 -2.486 5.707 1.00 15.50 H new ATOM 0 HB3 GLU A 28 -4.508 -3.218 6.529 1.00 15.50 H new ATOM 0 HG2 GLU A 28 -2.850 -3.603 8.515 1.00 54.33 H new ATOM 0 HG3 GLU A 28 -1.807 -2.461 7.691 1.00 54.33 H new ATOM 496 N CYS A 29 -2.736 -5.011 3.595 1.00 25.22 N ATOM 497 CA CYS A 29 -3.188 -5.442 2.247 1.00 63.11 C ATOM 498 C CYS A 29 -3.399 -6.969 2.199 1.00 31.32 C ATOM 499 O CYS A 29 -4.464 -7.435 1.797 1.00 32.14 O ATOM 500 CB CYS A 29 -2.199 -4.996 1.151 1.00 23.32 C ATOM 501 SG CYS A 29 -2.740 -5.286 -0.542 1.00 52.41 S ATOM 0 H CYS A 29 -1.762 -4.710 3.628 1.00 25.22 H new ATOM 0 HA CYS A 29 -4.144 -4.956 2.051 1.00 63.11 H new ATOM 0 HB2 CYS A 29 -2.002 -3.931 1.274 1.00 23.32 H new ATOM 0 HB3 CYS A 29 -1.253 -5.515 1.306 1.00 23.32 H new ATOM 0 HG CYS A 29 -1.707 -5.533 -1.292 1.00 52.41 H new ATOM 507 N GLN A 30 -2.384 -7.737 2.645 1.00 63.31 N ATOM 508 CA GLN A 30 -2.485 -9.217 2.769 1.00 54.54 C ATOM 509 C GLN A 30 -3.502 -9.631 3.868 1.00 31.03 C ATOM 510 O GLN A 30 -4.092 -10.712 3.798 1.00 55.34 O ATOM 511 CB GLN A 30 -1.089 -9.833 3.065 1.00 71.52 C ATOM 512 CG GLN A 30 -0.481 -9.395 4.413 1.00 34.40 C ATOM 513 CD GLN A 30 0.919 -9.941 4.699 1.00 1.01 C ATOM 514 OE1 GLN A 30 1.699 -10.215 3.792 1.00 12.31 O ATOM 515 NE2 GLN A 30 1.258 -10.080 5.968 1.00 54.50 N ATOM 0 H GLN A 30 -1.479 -7.361 2.928 1.00 63.31 H new ATOM 0 HA GLN A 30 -2.849 -9.604 1.817 1.00 54.54 H new ATOM 0 HB2 GLN A 30 -1.173 -10.920 3.052 1.00 71.52 H new ATOM 0 HB3 GLN A 30 -0.404 -9.557 2.263 1.00 71.52 H new ATOM 0 HG2 GLN A 30 -0.442 -8.306 4.440 1.00 34.40 H new ATOM 0 HG3 GLN A 30 -1.148 -9.710 5.215 1.00 34.40 H new ATOM 0 HE21 GLN A 30 0.591 -9.845 6.703 1.00 54.50 H new ATOM 0 HE22 GLN A 30 2.187 -10.422 6.213 1.00 54.50 H new ATOM 524 N LYS A 31 -3.679 -8.755 4.883 1.00 24.40 N ATOM 525 CA LYS A 31 -4.657 -8.950 5.980 1.00 34.34 C ATOM 526 C LYS A 31 -6.112 -8.924 5.441 1.00 14.24 C ATOM 527 O LYS A 31 -6.909 -9.822 5.724 1.00 43.20 O ATOM 528 CB LYS A 31 -4.462 -7.845 7.056 1.00 43.53 C ATOM 529 CG LYS A 31 -5.345 -7.965 8.321 1.00 53.23 C ATOM 530 CD LYS A 31 -5.004 -9.203 9.184 1.00 25.31 C ATOM 531 CE LYS A 31 -5.808 -9.245 10.499 1.00 23.45 C ATOM 532 NZ LYS A 31 -5.451 -10.424 11.329 1.00 53.02 N ATOM 0 H LYS A 31 -3.146 -7.889 4.965 1.00 24.40 H new ATOM 0 HA LYS A 31 -4.483 -9.928 6.430 1.00 34.34 H new ATOM 0 HB2 LYS A 31 -3.417 -7.848 7.365 1.00 43.53 H new ATOM 0 HB3 LYS A 31 -4.655 -6.877 6.593 1.00 43.53 H new ATOM 0 HG2 LYS A 31 -5.228 -7.065 8.925 1.00 53.23 H new ATOM 0 HG3 LYS A 31 -6.392 -8.015 8.022 1.00 53.23 H new ATOM 0 HD2 LYS A 31 -5.204 -10.108 8.610 1.00 25.31 H new ATOM 0 HD3 LYS A 31 -3.938 -9.200 9.413 1.00 25.31 H new ATOM 0 HE2 LYS A 31 -5.624 -8.333 11.066 1.00 23.45 H new ATOM 0 HE3 LYS A 31 -6.874 -9.270 10.272 1.00 23.45 H new ATOM 0 HZ1 LYS A 31 -6.013 -10.416 12.204 1.00 53.02 H new ATOM 0 HZ2 LYS A 31 -5.650 -11.296 10.798 1.00 53.02 H new ATOM 0 HZ3 LYS A 31 -4.439 -10.387 11.567 1.00 53.02 H new ATOM 546 N ARG A 32 -6.432 -7.880 4.648 1.00 53.21 N ATOM 547 CA ARG A 32 -7.804 -7.653 4.117 1.00 71.13 C ATOM 548 C ARG A 32 -7.961 -8.112 2.642 1.00 55.21 C ATOM 549 O ARG A 32 -8.982 -7.819 2.006 1.00 71.02 O ATOM 550 CB ARG A 32 -8.178 -6.152 4.263 1.00 54.44 C ATOM 551 CG ARG A 32 -8.142 -5.638 5.721 1.00 43.51 C ATOM 552 CD ARG A 32 -8.750 -4.231 5.881 1.00 55.31 C ATOM 553 NE ARG A 32 -10.171 -4.187 5.470 1.00 24.34 N ATOM 554 CZ ARG A 32 -11.194 -4.657 6.163 1.00 24.51 C ATOM 555 NH1 ARG A 32 -11.041 -5.179 7.342 1.00 53.02 N ATOM 556 NH2 ARG A 32 -12.383 -4.583 5.666 1.00 15.33 N ATOM 0 H ARG A 32 -5.757 -7.173 4.356 1.00 53.21 H new ATOM 0 HA ARG A 32 -8.488 -8.264 4.706 1.00 71.13 H new ATOM 0 HB2 ARG A 32 -7.492 -5.556 3.661 1.00 54.44 H new ATOM 0 HB3 ARG A 32 -9.177 -5.995 3.857 1.00 54.44 H new ATOM 0 HG2 ARG A 32 -8.683 -6.336 6.360 1.00 43.51 H new ATOM 0 HG3 ARG A 32 -7.109 -5.623 6.069 1.00 43.51 H new ATOM 0 HD2 ARG A 32 -8.664 -3.916 6.921 1.00 55.31 H new ATOM 0 HD3 ARG A 32 -8.179 -3.520 5.284 1.00 55.31 H new ATOM 0 HE ARG A 32 -10.380 -3.755 4.570 1.00 24.34 H new ATOM 0 HH11 ARG A 32 -10.111 -5.235 7.758 1.00 53.02 H new ATOM 0 HH12 ARG A 32 -11.850 -5.533 7.852 1.00 53.02 H new ATOM 0 HH21 ARG A 32 -12.526 -4.165 4.747 1.00 15.33 H new ATOM 0 HH22 ARG A 32 -13.179 -4.943 6.193 1.00 15.33 H new ATOM 570 N GLY A 33 -6.966 -8.855 2.117 1.00 61.23 N ATOM 571 CA GLY A 33 -7.000 -9.374 0.736 1.00 2.25 C ATOM 572 C GLY A 33 -6.613 -8.301 -0.305 1.00 54.44 C ATOM 573 O GLY A 33 -7.383 -7.352 -0.496 1.00 45.53 O ATOM 0 H GLY A 33 -6.124 -9.110 2.633 1.00 61.23 H new ATOM 0 HA2 GLY A 33 -6.319 -10.221 0.652 1.00 2.25 H new ATOM 0 HA3 GLY A 33 -8.000 -9.747 0.515 1.00 2.25 H new ATOM 577 N PRO A 34 -5.419 -8.413 -0.992 1.00 52.24 N ATOM 578 CA PRO A 34 -4.901 -7.359 -1.920 1.00 35.11 C ATOM 579 C PRO A 34 -5.878 -7.013 -3.081 1.00 4.54 C ATOM 580 O PRO A 34 -5.960 -7.737 -4.085 1.00 4.44 O ATOM 581 CB PRO A 34 -3.555 -7.954 -2.434 1.00 13.55 C ATOM 582 CG PRO A 34 -3.649 -9.426 -2.162 1.00 44.05 C ATOM 583 CD PRO A 34 -4.483 -9.564 -0.911 1.00 52.15 C ATOM 0 HA PRO A 34 -4.779 -6.401 -1.414 1.00 35.11 H new ATOM 0 HB2 PRO A 34 -3.418 -7.758 -3.497 1.00 13.55 H new ATOM 0 HB3 PRO A 34 -2.705 -7.511 -1.916 1.00 13.55 H new ATOM 0 HG2 PRO A 34 -4.111 -9.949 -2.999 1.00 44.05 H new ATOM 0 HG3 PRO A 34 -2.660 -9.861 -2.022 1.00 44.05 H new ATOM 0 HD2 PRO A 34 -5.016 -10.514 -0.886 1.00 52.15 H new ATOM 0 HD3 PRO A 34 -3.869 -9.520 -0.012 1.00 52.15 H new ATOM 591 N SER A 35 -6.628 -5.904 -2.915 1.00 74.23 N ATOM 592 CA SER A 35 -7.713 -5.510 -3.846 1.00 43.41 C ATOM 593 C SER A 35 -8.021 -3.993 -3.770 1.00 4.44 C ATOM 594 O SER A 35 -7.480 -3.281 -2.916 1.00 35.44 O ATOM 595 CB SER A 35 -8.987 -6.345 -3.548 1.00 24.32 C ATOM 596 OG SER A 35 -9.998 -6.128 -4.524 1.00 1.54 O ATOM 0 H SER A 35 -6.502 -5.257 -2.137 1.00 74.23 H new ATOM 0 HA SER A 35 -7.376 -5.715 -4.862 1.00 43.41 H new ATOM 0 HB2 SER A 35 -8.730 -7.404 -3.520 1.00 24.32 H new ATOM 0 HB3 SER A 35 -9.371 -6.084 -2.562 1.00 24.32 H new ATOM 0 HG SER A 35 -10.785 -6.670 -4.306 1.00 1.54 H new ATOM 602 N SER A 36 -8.912 -3.527 -4.671 1.00 73.14 N ATOM 603 CA SER A 36 -9.280 -2.093 -4.839 1.00 53.05 C ATOM 604 C SER A 36 -9.785 -1.423 -3.536 1.00 45.04 C ATOM 605 O SER A 36 -9.298 -0.353 -3.147 1.00 50.44 O ATOM 606 CB SER A 36 -10.355 -1.972 -5.943 1.00 13.35 C ATOM 607 OG SER A 36 -11.492 -2.779 -5.649 1.00 54.22 O ATOM 0 H SER A 36 -9.408 -4.142 -5.316 1.00 73.14 H new ATOM 0 HA SER A 36 -8.370 -1.562 -5.120 1.00 53.05 H new ATOM 0 HB2 SER A 36 -10.661 -0.931 -6.043 1.00 13.35 H new ATOM 0 HB3 SER A 36 -9.931 -2.273 -6.901 1.00 13.35 H new ATOM 0 HG SER A 36 -12.156 -2.681 -6.363 1.00 54.22 H new ATOM 613 N LYS A 37 -10.749 -2.073 -2.866 1.00 54.33 N ATOM 614 CA LYS A 37 -11.361 -1.554 -1.612 1.00 54.10 C ATOM 615 C LYS A 37 -10.381 -1.573 -0.409 1.00 24.34 C ATOM 616 O LYS A 37 -10.627 -0.918 0.613 1.00 31.15 O ATOM 617 CB LYS A 37 -12.646 -2.356 -1.284 1.00 13.03 C ATOM 618 CG LYS A 37 -13.769 -2.209 -2.340 1.00 44.25 C ATOM 619 CD LYS A 37 -15.060 -2.994 -1.988 1.00 5.33 C ATOM 620 CE LYS A 37 -15.681 -2.569 -0.639 1.00 15.44 C ATOM 621 NZ LYS A 37 -15.940 -1.103 -0.564 1.00 13.11 N ATOM 0 H LYS A 37 -11.131 -2.969 -3.168 1.00 54.33 H new ATOM 0 HA LYS A 37 -11.615 -0.508 -1.784 1.00 54.10 H new ATOM 0 HB2 LYS A 37 -12.389 -3.411 -1.187 1.00 13.03 H new ATOM 0 HB3 LYS A 37 -13.027 -2.031 -0.316 1.00 13.03 H new ATOM 0 HG2 LYS A 37 -14.015 -1.153 -2.452 1.00 44.25 H new ATOM 0 HG3 LYS A 37 -13.396 -2.553 -3.305 1.00 44.25 H new ATOM 0 HD2 LYS A 37 -15.794 -2.848 -2.781 1.00 5.33 H new ATOM 0 HD3 LYS A 37 -14.833 -4.060 -1.956 1.00 5.33 H new ATOM 0 HE2 LYS A 37 -16.616 -3.108 -0.488 1.00 15.44 H new ATOM 0 HE3 LYS A 37 -15.012 -2.858 0.172 1.00 15.44 H new ATOM 0 HZ1 LYS A 37 -16.418 -0.880 0.332 1.00 13.11 H new ATOM 0 HZ2 LYS A 37 -15.038 -0.588 -0.612 1.00 13.11 H new ATOM 0 HZ3 LYS A 37 -16.545 -0.816 -1.360 1.00 13.11 H new ATOM 635 N THR A 38 -9.271 -2.315 -0.552 1.00 32.35 N ATOM 636 CA THR A 38 -8.206 -2.394 0.470 1.00 24.33 C ATOM 637 C THR A 38 -7.189 -1.248 0.253 1.00 4.33 C ATOM 638 O THR A 38 -6.640 -0.701 1.213 1.00 15.24 O ATOM 639 CB THR A 38 -7.479 -3.781 0.424 1.00 54.23 C ATOM 640 OG1 THR A 38 -8.452 -4.842 0.485 1.00 55.45 O ATOM 641 CG2 THR A 38 -6.471 -3.950 1.575 1.00 60.34 C ATOM 0 H THR A 38 -9.083 -2.880 -1.380 1.00 32.35 H new ATOM 0 HA THR A 38 -8.664 -2.290 1.454 1.00 24.33 H new ATOM 0 HB THR A 38 -6.925 -3.826 -0.513 1.00 54.23 H new ATOM 0 HG1 THR A 38 -8.054 -5.670 0.144 1.00 55.45 H new ATOM 0 HG21 THR A 38 -5.993 -4.927 1.500 1.00 60.34 H new ATOM 0 HG22 THR A 38 -5.713 -3.169 1.512 1.00 60.34 H new ATOM 0 HG23 THR A 38 -6.992 -3.874 2.529 1.00 60.34 H new ATOM 649 N PHE A 39 -6.962 -0.880 -1.027 1.00 52.32 N ATOM 650 CA PHE A 39 -6.132 0.293 -1.401 1.00 13.24 C ATOM 651 C PHE A 39 -6.808 1.610 -0.955 1.00 73.20 C ATOM 652 O PHE A 39 -6.132 2.564 -0.564 1.00 12.22 O ATOM 653 CB PHE A 39 -5.883 0.327 -2.934 1.00 72.22 C ATOM 654 CG PHE A 39 -5.152 -0.891 -3.503 1.00 14.55 C ATOM 655 CD1 PHE A 39 -4.100 -1.490 -2.807 1.00 64.23 C ATOM 656 CD2 PHE A 39 -5.510 -1.431 -4.742 1.00 62.21 C ATOM 657 CE1 PHE A 39 -3.441 -2.585 -3.326 1.00 0.11 C ATOM 658 CE2 PHE A 39 -4.847 -2.530 -5.261 1.00 11.01 C ATOM 659 CZ PHE A 39 -3.814 -3.106 -4.552 1.00 43.04 C ATOM 0 H PHE A 39 -7.345 -1.382 -1.828 1.00 52.32 H new ATOM 0 HA PHE A 39 -5.174 0.197 -0.889 1.00 13.24 H new ATOM 0 HB2 PHE A 39 -6.844 0.423 -3.440 1.00 72.22 H new ATOM 0 HB3 PHE A 39 -5.306 1.221 -3.172 1.00 72.22 H new ATOM 0 HD1 PHE A 39 -3.798 -1.091 -1.850 1.00 64.23 H new ATOM 0 HD2 PHE A 39 -6.317 -0.984 -5.303 1.00 62.21 H new ATOM 0 HE1 PHE A 39 -2.631 -3.037 -2.773 1.00 0.11 H new ATOM 0 HE2 PHE A 39 -5.138 -2.935 -6.219 1.00 11.01 H new ATOM 0 HZ PHE A 39 -3.296 -3.964 -4.954 1.00 43.04 H new ATOM 669 N ALA A 40 -8.153 1.637 -1.033 1.00 55.52 N ATOM 670 CA ALA A 40 -8.977 2.773 -0.554 1.00 35.31 C ATOM 671 C ALA A 40 -8.899 2.931 0.989 1.00 34.02 C ATOM 672 O ALA A 40 -8.914 4.054 1.513 1.00 23.42 O ATOM 673 CB ALA A 40 -10.432 2.587 -1.009 1.00 23.13 C ATOM 0 H ALA A 40 -8.702 0.874 -1.429 1.00 55.52 H new ATOM 0 HA ALA A 40 -8.579 3.689 -0.990 1.00 35.31 H new ATOM 0 HB1 ALA A 40 -11.034 3.424 -0.655 1.00 23.13 H new ATOM 0 HB2 ALA A 40 -10.471 2.547 -2.098 1.00 23.13 H new ATOM 0 HB3 ALA A 40 -10.826 1.657 -0.598 1.00 23.13 H new ATOM 679 N TYR A 41 -8.833 1.788 1.703 1.00 62.02 N ATOM 680 CA TYR A 41 -8.601 1.753 3.169 1.00 30.33 C ATOM 681 C TYR A 41 -7.208 2.338 3.532 1.00 71.23 C ATOM 682 O TYR A 41 -7.102 3.275 4.331 1.00 50.23 O ATOM 683 CB TYR A 41 -8.748 0.291 3.692 1.00 5.13 C ATOM 684 CG TYR A 41 -8.267 0.073 5.135 1.00 3.44 C ATOM 685 CD1 TYR A 41 -8.865 0.750 6.204 1.00 53.43 C ATOM 686 CD2 TYR A 41 -7.205 -0.791 5.430 1.00 51.45 C ATOM 687 CE1 TYR A 41 -8.425 0.574 7.501 1.00 10.34 C ATOM 688 CE2 TYR A 41 -6.767 -0.971 6.728 1.00 33.31 C ATOM 689 CZ TYR A 41 -7.380 -0.284 7.760 1.00 4.20 C ATOM 690 OH TYR A 41 -6.939 -0.459 9.056 1.00 3.02 O ATOM 0 H TYR A 41 -8.938 0.864 1.284 1.00 62.02 H new ATOM 0 HA TYR A 41 -9.351 2.377 3.655 1.00 30.33 H new ATOM 0 HB2 TYR A 41 -9.796 -0.001 3.625 1.00 5.13 H new ATOM 0 HB3 TYR A 41 -8.190 -0.374 3.033 1.00 5.13 H new ATOM 0 HD1 TYR A 41 -9.687 1.423 6.011 1.00 53.43 H new ATOM 0 HD2 TYR A 41 -6.719 -1.327 4.628 1.00 51.45 H new ATOM 0 HE1 TYR A 41 -8.900 1.108 8.311 1.00 10.34 H new ATOM 0 HE2 TYR A 41 -5.949 -1.645 6.936 1.00 33.31 H new ATOM 0 HH TYR A 41 -6.093 -0.953 9.050 1.00 3.02 H new ATOM 700 N LEU A 42 -6.160 1.763 2.920 1.00 71.23 N ATOM 701 CA LEU A 42 -4.745 2.187 3.109 1.00 23.15 C ATOM 702 C LEU A 42 -4.493 3.646 2.648 1.00 62.22 C ATOM 703 O LEU A 42 -3.537 4.281 3.098 1.00 54.13 O ATOM 704 CB LEU A 42 -3.818 1.207 2.358 1.00 14.12 C ATOM 705 CG LEU A 42 -3.766 -0.242 2.935 1.00 14.23 C ATOM 706 CD1 LEU A 42 -3.084 -1.222 1.954 1.00 1.21 C ATOM 707 CD2 LEU A 42 -3.068 -0.255 4.314 1.00 75.05 C ATOM 0 H LEU A 42 -6.262 0.982 2.272 1.00 71.23 H new ATOM 0 HA LEU A 42 -4.526 2.162 4.176 1.00 23.15 H new ATOM 0 HB2 LEU A 42 -4.140 1.154 1.318 1.00 14.12 H new ATOM 0 HB3 LEU A 42 -2.808 1.616 2.359 1.00 14.12 H new ATOM 0 HG LEU A 42 -4.792 -0.583 3.069 1.00 14.23 H new ATOM 0 HD11 LEU A 42 -3.067 -2.221 2.391 1.00 1.21 H new ATOM 0 HD12 LEU A 42 -3.641 -1.245 1.017 1.00 1.21 H new ATOM 0 HD13 LEU A 42 -2.063 -0.892 1.761 1.00 1.21 H new ATOM 0 HD21 LEU A 42 -3.042 -1.274 4.699 1.00 75.05 H new ATOM 0 HD22 LEU A 42 -2.050 0.120 4.210 1.00 75.05 H new ATOM 0 HD23 LEU A 42 -3.619 0.381 5.007 1.00 75.05 H new ATOM 719 N ALA A 43 -5.349 4.154 1.745 1.00 70.43 N ATOM 720 CA ALA A 43 -5.327 5.571 1.308 1.00 55.02 C ATOM 721 C ALA A 43 -5.660 6.523 2.475 1.00 11.42 C ATOM 722 O ALA A 43 -4.865 7.396 2.828 1.00 4.03 O ATOM 723 CB ALA A 43 -6.313 5.778 0.153 1.00 20.41 C ATOM 0 H ALA A 43 -6.077 3.599 1.295 1.00 70.43 H new ATOM 0 HA ALA A 43 -4.319 5.805 0.965 1.00 55.02 H new ATOM 0 HB1 ALA A 43 -6.291 6.821 -0.162 1.00 20.41 H new ATOM 0 HB2 ALA A 43 -6.031 5.140 -0.685 1.00 20.41 H new ATOM 0 HB3 ALA A 43 -7.319 5.520 0.483 1.00 20.41 H new ATOM 729 N ALA A 44 -6.847 6.320 3.079 1.00 54.40 N ATOM 730 CA ALA A 44 -7.317 7.125 4.235 1.00 62.11 C ATOM 731 C ALA A 44 -6.435 6.895 5.489 1.00 61.33 C ATOM 732 O ALA A 44 -6.264 7.793 6.320 1.00 22.23 O ATOM 733 CB ALA A 44 -8.786 6.798 4.542 1.00 35.32 C ATOM 0 H ALA A 44 -7.507 5.600 2.786 1.00 54.40 H new ATOM 0 HA ALA A 44 -7.234 8.178 3.966 1.00 62.11 H new ATOM 0 HB1 ALA A 44 -9.121 7.393 5.391 1.00 35.32 H new ATOM 0 HB2 ALA A 44 -9.400 7.029 3.672 1.00 35.32 H new ATOM 0 HB3 ALA A 44 -8.881 5.739 4.781 1.00 35.32 H new ATOM 739 N LYS A 45 -5.879 5.673 5.599 1.00 43.14 N ATOM 740 CA LYS A 45 -4.972 5.281 6.697 1.00 33.33 C ATOM 741 C LYS A 45 -3.615 6.028 6.617 1.00 65.42 C ATOM 742 O LYS A 45 -3.090 6.488 7.638 1.00 41.43 O ATOM 743 CB LYS A 45 -4.736 3.741 6.668 1.00 21.32 C ATOM 744 CG LYS A 45 -3.805 3.159 7.782 1.00 40.33 C ATOM 745 CD LYS A 45 -4.497 2.951 9.164 1.00 31.32 C ATOM 746 CE LYS A 45 -4.753 4.247 9.965 1.00 12.13 C ATOM 747 NZ LYS A 45 -3.497 5.016 10.214 1.00 75.24 N ATOM 0 H LYS A 45 -6.047 4.926 4.925 1.00 43.14 H new ATOM 0 HA LYS A 45 -5.448 5.560 7.637 1.00 33.33 H new ATOM 0 HB2 LYS A 45 -5.704 3.246 6.739 1.00 21.32 H new ATOM 0 HB3 LYS A 45 -4.314 3.478 5.698 1.00 21.32 H new ATOM 0 HG2 LYS A 45 -3.408 2.203 7.442 1.00 40.33 H new ATOM 0 HG3 LYS A 45 -2.955 3.829 7.913 1.00 40.33 H new ATOM 0 HD2 LYS A 45 -5.450 2.446 9.005 1.00 31.32 H new ATOM 0 HD3 LYS A 45 -3.880 2.285 9.767 1.00 31.32 H new ATOM 0 HE2 LYS A 45 -5.459 4.874 9.421 1.00 12.13 H new ATOM 0 HE3 LYS A 45 -5.218 3.997 10.918 1.00 12.13 H new ATOM 0 HZ1 LYS A 45 -3.636 5.655 11.022 1.00 75.24 H new ATOM 0 HZ2 LYS A 45 -2.721 4.356 10.424 1.00 75.24 H new ATOM 0 HZ3 LYS A 45 -3.258 5.573 9.369 1.00 75.24 H new ATOM 761 N LEU A 46 -3.061 6.137 5.393 1.00 13.12 N ATOM 762 CA LEU A 46 -1.720 6.734 5.149 1.00 55.11 C ATOM 763 C LEU A 46 -1.797 8.160 4.554 1.00 45.13 C ATOM 764 O LEU A 46 -0.777 8.678 4.075 1.00 2.10 O ATOM 765 CB LEU A 46 -0.903 5.796 4.218 1.00 74.22 C ATOM 766 CG LEU A 46 -0.665 4.358 4.780 1.00 45.22 C ATOM 767 CD1 LEU A 46 0.069 3.474 3.758 1.00 10.53 C ATOM 768 CD2 LEU A 46 0.087 4.410 6.129 1.00 14.12 C ATOM 0 H LEU A 46 -3.525 5.816 4.543 1.00 13.12 H new ATOM 0 HA LEU A 46 -1.220 6.832 6.113 1.00 55.11 H new ATOM 0 HB2 LEU A 46 -1.421 5.716 3.262 1.00 74.22 H new ATOM 0 HB3 LEU A 46 0.064 6.258 4.019 1.00 74.22 H new ATOM 0 HG LEU A 46 -1.639 3.903 4.962 1.00 45.22 H new ATOM 0 HD11 LEU A 46 0.220 2.480 4.179 1.00 10.53 H new ATOM 0 HD12 LEU A 46 -0.527 3.397 2.849 1.00 10.53 H new ATOM 0 HD13 LEU A 46 1.036 3.918 3.521 1.00 10.53 H new ATOM 0 HD21 LEU A 46 0.240 3.396 6.499 1.00 14.12 H new ATOM 0 HD22 LEU A 46 1.053 4.895 5.989 1.00 14.12 H new ATOM 0 HD23 LEU A 46 -0.501 4.975 6.852 1.00 14.12 H new ATOM 780 N ASP A 47 -3.004 8.775 4.584 1.00 64.23 N ATOM 781 CA ASP A 47 -3.237 10.183 4.142 1.00 41.33 C ATOM 782 C ASP A 47 -2.962 10.387 2.605 1.00 74.03 C ATOM 783 O ASP A 47 -2.853 11.513 2.118 1.00 53.43 O ATOM 784 CB ASP A 47 -2.399 11.154 5.047 1.00 70.35 C ATOM 785 CG ASP A 47 -2.707 12.648 4.844 1.00 45.03 C ATOM 786 OD1 ASP A 47 -3.829 13.078 5.183 1.00 74.32 O ATOM 787 OD2 ASP A 47 -1.836 13.387 4.325 1.00 21.23 O ATOM 0 H ASP A 47 -3.850 8.312 4.916 1.00 64.23 H new ATOM 0 HA ASP A 47 -4.293 10.420 4.269 1.00 41.33 H new ATOM 0 HB2 ASP A 47 -2.577 10.899 6.092 1.00 70.35 H new ATOM 0 HB3 ASP A 47 -1.340 10.986 4.853 1.00 70.35 H new ATOM 792 N LYS A 48 -2.894 9.277 1.841 1.00 30.32 N ATOM 793 CA LYS A 48 -2.608 9.294 0.379 1.00 45.33 C ATOM 794 C LYS A 48 -3.863 8.960 -0.461 1.00 34.33 C ATOM 795 O LYS A 48 -4.971 8.846 0.069 1.00 71.15 O ATOM 796 CB LYS A 48 -1.450 8.301 0.051 1.00 74.45 C ATOM 797 CG LYS A 48 -0.071 8.694 0.640 1.00 34.41 C ATOM 798 CD LYS A 48 0.386 10.105 0.194 1.00 10.33 C ATOM 799 CE LYS A 48 1.799 10.464 0.677 1.00 43.52 C ATOM 800 NZ LYS A 48 2.155 11.874 0.377 1.00 33.41 N ATOM 0 H LYS A 48 -3.035 8.339 2.215 1.00 30.32 H new ATOM 0 HA LYS A 48 -2.302 10.306 0.112 1.00 45.33 H new ATOM 0 HB2 LYS A 48 -1.721 7.313 0.424 1.00 74.45 H new ATOM 0 HB3 LYS A 48 -1.357 8.218 -1.032 1.00 74.45 H new ATOM 0 HG2 LYS A 48 -0.122 8.659 1.728 1.00 34.41 H new ATOM 0 HG3 LYS A 48 0.674 7.960 0.332 1.00 34.41 H new ATOM 0 HD2 LYS A 48 0.355 10.163 -0.894 1.00 10.33 H new ATOM 0 HD3 LYS A 48 -0.319 10.845 0.573 1.00 10.33 H new ATOM 0 HE2 LYS A 48 1.867 10.295 1.752 1.00 43.52 H new ATOM 0 HE3 LYS A 48 2.522 9.800 0.203 1.00 43.52 H new ATOM 0 HZ1 LYS A 48 3.117 12.070 0.721 1.00 33.41 H new ATOM 0 HZ2 LYS A 48 2.116 12.031 -0.650 1.00 33.41 H new ATOM 0 HZ3 LYS A 48 1.482 12.510 0.850 1.00 33.41 H new ATOM 814 N ASN A 49 -3.674 8.852 -1.790 1.00 21.25 N ATOM 815 CA ASN A 49 -4.749 8.466 -2.737 1.00 64.00 C ATOM 816 C ASN A 49 -4.751 6.923 -2.946 1.00 3.24 C ATOM 817 O ASN A 49 -3.692 6.296 -2.814 1.00 73.21 O ATOM 818 CB ASN A 49 -4.548 9.196 -4.096 1.00 24.02 C ATOM 819 CG ASN A 49 -4.241 10.688 -3.930 1.00 31.13 C ATOM 820 OD1 ASN A 49 -3.089 11.111 -3.975 1.00 72.42 O ATOM 821 ND2 ASN A 49 -5.253 11.487 -3.681 1.00 20.11 N ATOM 0 H ASN A 49 -2.776 9.028 -2.241 1.00 21.25 H new ATOM 0 HA ASN A 49 -5.712 8.761 -2.320 1.00 64.00 H new ATOM 0 HB2 ASN A 49 -3.733 8.721 -4.641 1.00 24.02 H new ATOM 0 HB3 ASN A 49 -5.447 9.080 -4.702 1.00 24.02 H new ATOM 0 HD21 ASN A 49 -5.090 12.481 -3.520 1.00 20.11 H new ATOM 0 HD22 ASN A 49 -6.202 11.114 -3.648 1.00 20.11 H new ATOM 828 N PRO A 50 -5.936 6.279 -3.255 1.00 3.10 N ATOM 829 CA PRO A 50 -6.006 4.819 -3.583 1.00 54.22 C ATOM 830 C PRO A 50 -5.027 4.387 -4.702 1.00 5.12 C ATOM 831 O PRO A 50 -4.475 3.281 -4.660 1.00 52.44 O ATOM 832 CB PRO A 50 -7.473 4.627 -4.031 1.00 35.42 C ATOM 833 CG PRO A 50 -8.227 5.694 -3.293 1.00 33.13 C ATOM 834 CD PRO A 50 -7.299 6.892 -3.250 1.00 54.35 C ATOM 0 HA PRO A 50 -5.716 4.205 -2.730 1.00 54.22 H new ATOM 0 HB2 PRO A 50 -7.578 4.740 -5.110 1.00 35.42 H new ATOM 0 HB3 PRO A 50 -7.840 3.632 -3.777 1.00 35.42 H new ATOM 0 HG2 PRO A 50 -9.160 5.938 -3.802 1.00 33.13 H new ATOM 0 HG3 PRO A 50 -8.489 5.365 -2.288 1.00 33.13 H new ATOM 0 HD2 PRO A 50 -7.448 7.546 -4.109 1.00 54.35 H new ATOM 0 HD3 PRO A 50 -7.464 7.496 -2.358 1.00 54.35 H new ATOM 842 N ASN A 51 -4.822 5.286 -5.690 1.00 4.43 N ATOM 843 CA ASN A 51 -3.861 5.070 -6.795 1.00 44.42 C ATOM 844 C ASN A 51 -2.406 4.999 -6.244 1.00 63.30 C ATOM 845 O ASN A 51 -1.671 4.088 -6.593 1.00 73.31 O ATOM 846 CB ASN A 51 -3.990 6.202 -7.865 1.00 14.34 C ATOM 847 CG ASN A 51 -3.476 5.843 -9.282 1.00 3.44 C ATOM 848 OD1 ASN A 51 -2.421 5.060 -9.404 1.00 25.41 O flip ATOM 849 ND2 ASN A 51 -4.013 6.314 -10.279 1.00 72.02 N flip ATOM 0 H ASN A 51 -5.315 6.177 -5.744 1.00 4.43 H new ATOM 0 HA ASN A 51 -4.094 4.119 -7.274 1.00 44.42 H new ATOM 0 HB2 ASN A 51 -5.039 6.489 -7.940 1.00 14.34 H new ATOM 0 HB3 ASN A 51 -3.445 7.077 -7.511 1.00 14.34 H new ATOM 0 HD21 ASN A 51 -4.828 6.919 -10.181 1.00 72.02 H new ATOM 0 HD22 ASN A 51 -3.644 6.101 -11.206 1.00 72.02 H new ATOM 856 N GLN A 52 -2.036 5.959 -5.360 1.00 12.24 N ATOM 857 CA GLN A 52 -0.677 6.034 -4.733 1.00 2.34 C ATOM 858 C GLN A 52 -0.292 4.712 -4.021 1.00 13.00 C ATOM 859 O GLN A 52 0.823 4.192 -4.188 1.00 13.42 O ATOM 860 CB GLN A 52 -0.631 7.191 -3.694 1.00 31.01 C ATOM 861 CG GLN A 52 -0.853 8.609 -4.261 1.00 12.21 C ATOM 862 CD GLN A 52 0.295 9.126 -5.127 1.00 73.22 C ATOM 863 OE1 GLN A 52 1.449 8.774 -4.936 1.00 31.14 O ATOM 864 NE2 GLN A 52 -0.002 10.022 -6.044 1.00 22.42 N ATOM 0 H GLN A 52 -2.663 6.704 -5.057 1.00 12.24 H new ATOM 0 HA GLN A 52 0.036 6.215 -5.537 1.00 2.34 H new ATOM 0 HB2 GLN A 52 -1.388 7.001 -2.933 1.00 31.01 H new ATOM 0 HB3 GLN A 52 0.337 7.167 -3.194 1.00 31.01 H new ATOM 0 HG2 GLN A 52 -1.769 8.612 -4.852 1.00 12.21 H new ATOM 0 HG3 GLN A 52 -1.007 9.299 -3.432 1.00 12.21 H new ATOM 0 HE21 GLN A 52 -0.972 10.302 -6.188 1.00 22.42 H new ATOM 0 HE22 GLN A 52 0.738 10.436 -6.611 1.00 22.42 H new ATOM 873 N VAL A 53 -1.242 4.190 -3.227 1.00 54.02 N ATOM 874 CA VAL A 53 -1.072 2.934 -2.467 1.00 4.13 C ATOM 875 C VAL A 53 -0.936 1.722 -3.415 1.00 63.43 C ATOM 876 O VAL A 53 -0.054 0.877 -3.228 1.00 33.25 O ATOM 877 CB VAL A 53 -2.276 2.713 -1.482 1.00 64.35 C ATOM 878 CG1 VAL A 53 -2.203 1.327 -0.791 1.00 65.32 C ATOM 879 CG2 VAL A 53 -2.340 3.857 -0.436 1.00 51.43 C ATOM 0 H VAL A 53 -2.154 4.627 -3.092 1.00 54.02 H new ATOM 0 HA VAL A 53 -0.153 3.021 -1.887 1.00 4.13 H new ATOM 0 HB VAL A 53 -3.195 2.732 -2.068 1.00 64.35 H new ATOM 0 HG11 VAL A 53 -3.052 1.211 -0.118 1.00 65.32 H new ATOM 0 HG12 VAL A 53 -2.229 0.542 -1.547 1.00 65.32 H new ATOM 0 HG13 VAL A 53 -1.276 1.252 -0.222 1.00 65.32 H new ATOM 0 HG21 VAL A 53 -3.180 3.687 0.238 1.00 51.43 H new ATOM 0 HG22 VAL A 53 -1.413 3.878 0.137 1.00 51.43 H new ATOM 0 HG23 VAL A 53 -2.472 4.811 -0.947 1.00 51.43 H new ATOM 889 N SER A 54 -1.817 1.670 -4.434 1.00 3.13 N ATOM 890 CA SER A 54 -1.799 0.614 -5.473 1.00 62.01 C ATOM 891 C SER A 54 -0.443 0.570 -6.217 1.00 71.31 C ATOM 892 O SER A 54 0.119 -0.498 -6.422 1.00 4.50 O ATOM 893 CB SER A 54 -2.948 0.833 -6.487 1.00 54.14 C ATOM 894 OG SER A 54 -2.993 -0.206 -7.459 1.00 32.11 O ATOM 0 H SER A 54 -2.561 2.356 -4.562 1.00 3.13 H new ATOM 0 HA SER A 54 -1.940 -0.342 -4.970 1.00 62.01 H new ATOM 0 HB2 SER A 54 -3.899 0.877 -5.956 1.00 54.14 H new ATOM 0 HB3 SER A 54 -2.816 1.793 -6.986 1.00 54.14 H new ATOM 0 HG SER A 54 -3.730 -0.039 -8.083 1.00 32.11 H new ATOM 900 N GLU A 55 0.087 1.755 -6.567 1.00 1.01 N ATOM 901 CA GLU A 55 1.388 1.896 -7.265 1.00 4.54 C ATOM 902 C GLU A 55 2.550 1.349 -6.416 1.00 60.20 C ATOM 903 O GLU A 55 3.284 0.464 -6.866 1.00 13.42 O ATOM 904 CB GLU A 55 1.649 3.383 -7.635 1.00 31.44 C ATOM 905 CG GLU A 55 0.672 3.955 -8.679 1.00 52.51 C ATOM 906 CD GLU A 55 0.907 5.442 -8.983 1.00 24.34 C ATOM 907 OE1 GLU A 55 0.386 6.298 -8.237 1.00 1.15 O ATOM 908 OE2 GLU A 55 1.612 5.757 -9.971 1.00 72.14 O ATOM 0 H GLU A 55 -0.371 2.646 -6.376 1.00 1.01 H new ATOM 0 HA GLU A 55 1.335 1.305 -8.180 1.00 4.54 H new ATOM 0 HB2 GLU A 55 1.590 3.987 -6.729 1.00 31.44 H new ATOM 0 HB3 GLU A 55 2.666 3.478 -8.015 1.00 31.44 H new ATOM 0 HG2 GLU A 55 0.764 3.384 -9.603 1.00 52.51 H new ATOM 0 HG3 GLU A 55 -0.349 3.822 -8.322 1.00 52.51 H new ATOM 915 N ARG A 56 2.670 1.841 -5.164 1.00 71.13 N ATOM 916 CA ARG A 56 3.753 1.430 -4.245 1.00 71.23 C ATOM 917 C ARG A 56 3.692 -0.091 -3.932 1.00 43.40 C ATOM 918 O ARG A 56 4.728 -0.753 -3.859 1.00 62.23 O ATOM 919 CB ARG A 56 3.723 2.256 -2.926 1.00 70.32 C ATOM 920 CG ARG A 56 4.904 1.941 -1.969 1.00 73.33 C ATOM 921 CD ARG A 56 6.289 2.196 -2.625 1.00 1.22 C ATOM 922 NE ARG A 56 7.358 1.403 -1.994 1.00 25.42 N ATOM 923 CZ ARG A 56 8.307 0.743 -2.637 1.00 45.43 C ATOM 924 NH1 ARG A 56 8.371 0.735 -3.936 1.00 63.52 N ATOM 925 NH2 ARG A 56 9.183 0.078 -1.962 1.00 75.42 N ATOM 0 H ARG A 56 2.027 2.526 -4.766 1.00 71.13 H new ATOM 0 HA ARG A 56 4.695 1.633 -4.754 1.00 71.23 H new ATOM 0 HB2 ARG A 56 3.739 3.318 -3.172 1.00 70.32 H new ATOM 0 HB3 ARG A 56 2.784 2.063 -2.407 1.00 70.32 H new ATOM 0 HG2 ARG A 56 4.813 2.553 -1.072 1.00 73.33 H new ATOM 0 HG3 ARG A 56 4.842 0.900 -1.652 1.00 73.33 H new ATOM 0 HD2 ARG A 56 6.237 1.953 -3.686 1.00 1.22 H new ATOM 0 HD3 ARG A 56 6.534 3.256 -2.552 1.00 1.22 H new ATOM 0 HE ARG A 56 7.367 1.359 -0.975 1.00 25.42 H new ATOM 0 HH11 ARG A 56 7.679 1.246 -4.484 1.00 63.52 H new ATOM 0 HH12 ARG A 56 9.113 0.218 -4.407 1.00 63.52 H new ATOM 0 HH21 ARG A 56 9.139 0.065 -0.943 1.00 75.42 H new ATOM 0 HH22 ARG A 56 9.919 -0.435 -2.447 1.00 75.42 H new ATOM 939 N PHE A 57 2.465 -0.615 -3.781 1.00 51.45 N ATOM 940 CA PHE A 57 2.203 -2.060 -3.586 1.00 65.20 C ATOM 941 C PHE A 57 2.816 -2.923 -4.719 1.00 74.43 C ATOM 942 O PHE A 57 3.550 -3.876 -4.461 1.00 63.22 O ATOM 943 CB PHE A 57 0.671 -2.309 -3.508 1.00 74.14 C ATOM 944 CG PHE A 57 0.265 -3.786 -3.530 1.00 74.42 C ATOM 945 CD1 PHE A 57 0.670 -4.640 -2.516 1.00 3.11 C ATOM 946 CD2 PHE A 57 -0.507 -4.320 -4.565 1.00 64.21 C ATOM 947 CE1 PHE A 57 0.328 -5.974 -2.527 1.00 1.15 C ATOM 948 CE2 PHE A 57 -0.852 -5.658 -4.573 1.00 51.23 C ATOM 949 CZ PHE A 57 -0.432 -6.483 -3.554 1.00 22.41 C ATOM 0 H PHE A 57 1.617 -0.048 -3.790 1.00 51.45 H new ATOM 0 HA PHE A 57 2.679 -2.358 -2.652 1.00 65.20 H new ATOM 0 HB2 PHE A 57 0.288 -1.854 -2.595 1.00 74.14 H new ATOM 0 HB3 PHE A 57 0.190 -1.801 -4.344 1.00 74.14 H new ATOM 0 HD1 PHE A 57 1.265 -4.252 -1.702 1.00 3.11 H new ATOM 0 HD2 PHE A 57 -0.838 -3.679 -5.369 1.00 64.21 H new ATOM 0 HE1 PHE A 57 0.657 -6.622 -1.728 1.00 1.15 H new ATOM 0 HE2 PHE A 57 -1.451 -6.057 -5.378 1.00 51.23 H new ATOM 0 HZ PHE A 57 -0.699 -7.529 -3.561 1.00 22.41 H new ATOM 959 N GLN A 58 2.493 -2.565 -5.963 1.00 32.12 N ATOM 960 CA GLN A 58 2.906 -3.330 -7.164 1.00 75.50 C ATOM 961 C GLN A 58 4.411 -3.148 -7.483 1.00 32.31 C ATOM 962 O GLN A 58 5.027 -4.010 -8.123 1.00 41.31 O ATOM 963 CB GLN A 58 2.004 -2.931 -8.353 1.00 71.11 C ATOM 964 CG GLN A 58 0.498 -3.087 -8.041 1.00 40.44 C ATOM 965 CD GLN A 58 -0.427 -2.691 -9.201 1.00 51.22 C ATOM 966 OE1 GLN A 58 -0.096 -1.844 -10.028 1.00 73.32 O ATOM 967 NE2 GLN A 58 -1.607 -3.275 -9.259 1.00 62.44 N ATOM 0 H GLN A 58 1.937 -1.737 -6.177 1.00 32.12 H new ATOM 0 HA GLN A 58 2.776 -4.394 -6.966 1.00 75.50 H new ATOM 0 HB2 GLN A 58 2.208 -1.896 -8.627 1.00 71.11 H new ATOM 0 HB3 GLN A 58 2.257 -3.545 -9.217 1.00 71.11 H new ATOM 0 HG2 GLN A 58 0.300 -4.124 -7.770 1.00 40.44 H new ATOM 0 HG3 GLN A 58 0.253 -2.478 -7.171 1.00 40.44 H new ATOM 0 HE21 GLN A 58 -1.864 -3.976 -8.564 1.00 62.44 H new ATOM 0 HE22 GLN A 58 -2.263 -3.026 -9.999 1.00 62.44 H new ATOM 976 N GLN A 59 4.993 -2.019 -7.025 1.00 32.10 N ATOM 977 CA GLN A 59 6.457 -1.795 -7.059 1.00 44.45 C ATOM 978 C GLN A 59 7.153 -2.757 -6.069 1.00 51.33 C ATOM 979 O GLN A 59 8.159 -3.374 -6.393 1.00 35.15 O ATOM 980 CB GLN A 59 6.805 -0.316 -6.712 1.00 60.31 C ATOM 981 CG GLN A 59 6.307 0.747 -7.726 1.00 3.44 C ATOM 982 CD GLN A 59 7.047 0.764 -9.077 1.00 25.32 C ATOM 983 OE1 GLN A 59 7.560 -0.243 -9.559 1.00 5.01 O ATOM 984 NE2 GLN A 59 7.084 1.915 -9.717 1.00 63.23 N ATOM 0 H GLN A 59 4.468 -1.242 -6.624 1.00 32.10 H new ATOM 0 HA GLN A 59 6.816 -1.995 -8.069 1.00 44.45 H new ATOM 0 HB2 GLN A 59 6.385 -0.083 -5.734 1.00 60.31 H new ATOM 0 HB3 GLN A 59 7.888 -0.228 -6.623 1.00 60.31 H new ATOM 0 HG2 GLN A 59 5.247 0.578 -7.913 1.00 3.44 H new ATOM 0 HG3 GLN A 59 6.397 1.732 -7.268 1.00 3.44 H new ATOM 0 HE21 GLN A 59 6.654 2.742 -9.304 1.00 63.23 H new ATOM 0 HE22 GLN A 59 7.543 1.979 -10.626 1.00 63.23 H new ATOM 993 N LEU A 60 6.561 -2.882 -4.871 1.00 3.31 N ATOM 994 CA LEU A 60 7.013 -3.811 -3.810 1.00 45.11 C ATOM 995 C LEU A 60 6.969 -5.289 -4.267 1.00 15.24 C ATOM 996 O LEU A 60 7.930 -6.032 -4.049 1.00 44.54 O ATOM 997 CB LEU A 60 6.147 -3.585 -2.538 1.00 51.23 C ATOM 998 CG LEU A 60 6.608 -2.400 -1.633 1.00 22.30 C ATOM 999 CD1 LEU A 60 5.479 -1.892 -0.706 1.00 45.11 C ATOM 1000 CD2 LEU A 60 7.866 -2.807 -0.822 1.00 1.13 C ATOM 0 H LEU A 60 5.743 -2.335 -4.603 1.00 3.31 H new ATOM 0 HA LEU A 60 8.057 -3.597 -3.583 1.00 45.11 H new ATOM 0 HB2 LEU A 60 5.116 -3.410 -2.844 1.00 51.23 H new ATOM 0 HB3 LEU A 60 6.152 -4.500 -1.945 1.00 51.23 H new ATOM 0 HG LEU A 60 6.866 -1.566 -2.286 1.00 22.30 H new ATOM 0 HD11 LEU A 60 5.851 -1.068 -0.097 1.00 45.11 H new ATOM 0 HD12 LEU A 60 4.640 -1.547 -1.310 1.00 45.11 H new ATOM 0 HD13 LEU A 60 5.149 -2.703 -0.056 1.00 45.11 H new ATOM 0 HD21 LEU A 60 8.179 -1.973 -0.194 1.00 1.13 H new ATOM 0 HD22 LEU A 60 7.632 -3.666 -0.194 1.00 1.13 H new ATOM 0 HD23 LEU A 60 8.672 -3.068 -1.508 1.00 1.13 H new ATOM 1012 N MET A 61 5.855 -5.691 -4.914 1.00 43.30 N ATOM 1013 CA MET A 61 5.699 -7.045 -5.511 1.00 40.02 C ATOM 1014 C MET A 61 6.817 -7.320 -6.550 1.00 32.42 C ATOM 1015 O MET A 61 7.422 -8.403 -6.571 1.00 52.11 O ATOM 1016 CB MET A 61 4.313 -7.182 -6.197 1.00 63.23 C ATOM 1017 CG MET A 61 3.080 -7.044 -5.283 1.00 64.41 C ATOM 1018 SD MET A 61 2.893 -8.403 -4.097 1.00 14.33 S ATOM 1019 CE MET A 61 3.684 -7.768 -2.617 1.00 14.12 C ATOM 0 H MET A 61 5.038 -5.093 -5.040 1.00 43.30 H new ATOM 0 HA MET A 61 5.775 -7.775 -4.706 1.00 40.02 H new ATOM 0 HB2 MET A 61 4.244 -6.428 -6.981 1.00 63.23 H new ATOM 0 HB3 MET A 61 4.269 -8.155 -6.686 1.00 63.23 H new ATOM 0 HG2 MET A 61 3.148 -6.104 -4.736 1.00 64.41 H new ATOM 0 HG3 MET A 61 2.185 -6.989 -5.902 1.00 64.41 H new ATOM 0 HE1 MET A 61 4.106 -8.595 -2.047 1.00 14.12 H new ATOM 0 HE2 MET A 61 4.479 -7.077 -2.897 1.00 14.12 H new ATOM 0 HE3 MET A 61 2.948 -7.245 -2.007 1.00 14.12 H new ATOM 1029 N LYS A 62 7.086 -6.302 -7.388 1.00 11.10 N ATOM 1030 CA LYS A 62 8.139 -6.344 -8.425 1.00 60.34 C ATOM 1031 C LYS A 62 9.559 -6.453 -7.803 1.00 5.00 C ATOM 1032 O LYS A 62 10.449 -7.066 -8.390 1.00 33.24 O ATOM 1033 CB LYS A 62 8.030 -5.088 -9.337 1.00 24.13 C ATOM 1034 CG LYS A 62 8.924 -5.064 -10.620 1.00 52.32 C ATOM 1035 CD LYS A 62 8.404 -5.969 -11.784 1.00 4.14 C ATOM 1036 CE LYS A 62 8.805 -7.456 -11.668 1.00 54.24 C ATOM 1037 NZ LYS A 62 8.194 -8.281 -12.744 1.00 54.20 N ATOM 0 H LYS A 62 6.576 -5.419 -7.366 1.00 11.10 H new ATOM 0 HA LYS A 62 7.985 -7.239 -9.028 1.00 60.34 H new ATOM 0 HB2 LYS A 62 6.990 -4.983 -9.646 1.00 24.13 H new ATOM 0 HB3 LYS A 62 8.274 -4.211 -8.737 1.00 24.13 H new ATOM 0 HG2 LYS A 62 8.997 -4.037 -10.979 1.00 52.32 H new ATOM 0 HG3 LYS A 62 9.932 -5.380 -10.352 1.00 52.32 H new ATOM 0 HD2 LYS A 62 7.317 -5.901 -11.822 1.00 4.14 H new ATOM 0 HD3 LYS A 62 8.781 -5.577 -12.728 1.00 4.14 H new ATOM 0 HE2 LYS A 62 9.890 -7.544 -11.715 1.00 54.24 H new ATOM 0 HE3 LYS A 62 8.496 -7.841 -10.696 1.00 54.24 H new ATOM 0 HZ1 LYS A 62 8.488 -9.272 -12.631 1.00 54.20 H new ATOM 0 HZ2 LYS A 62 7.158 -8.218 -12.684 1.00 54.20 H new ATOM 0 HZ3 LYS A 62 8.509 -7.931 -13.671 1.00 54.20 H new ATOM 1051 N LEU A 63 9.742 -5.862 -6.601 1.00 54.42 N ATOM 1052 CA LEU A 63 11.010 -5.953 -5.832 1.00 71.34 C ATOM 1053 C LEU A 63 11.206 -7.363 -5.212 1.00 44.42 C ATOM 1054 O LEU A 63 12.336 -7.866 -5.139 1.00 15.01 O ATOM 1055 CB LEU A 63 11.069 -4.854 -4.725 1.00 75.11 C ATOM 1056 CG LEU A 63 11.083 -3.369 -5.234 1.00 24.50 C ATOM 1057 CD1 LEU A 63 11.073 -2.365 -4.057 1.00 53.31 C ATOM 1058 CD2 LEU A 63 12.270 -3.104 -6.193 1.00 50.11 C ATOM 0 H LEU A 63 9.021 -5.311 -6.136 1.00 54.42 H new ATOM 0 HA LEU A 63 11.828 -5.784 -6.533 1.00 71.34 H new ATOM 0 HB2 LEU A 63 10.211 -4.984 -4.065 1.00 75.11 H new ATOM 0 HB3 LEU A 63 11.962 -5.020 -4.123 1.00 75.11 H new ATOM 0 HG LEU A 63 10.166 -3.215 -5.803 1.00 24.50 H new ATOM 0 HD11 LEU A 63 11.083 -1.347 -4.447 1.00 53.31 H new ATOM 0 HD12 LEU A 63 10.175 -2.515 -3.458 1.00 53.31 H new ATOM 0 HD13 LEU A 63 11.954 -2.524 -3.435 1.00 53.31 H new ATOM 0 HD21 LEU A 63 12.246 -2.066 -6.524 1.00 50.11 H new ATOM 0 HD22 LEU A 63 13.208 -3.297 -5.673 1.00 50.11 H new ATOM 0 HD23 LEU A 63 12.193 -3.762 -7.058 1.00 50.11 H new ATOM 1070 N PHE A 64 10.101 -8.005 -4.770 1.00 23.30 N ATOM 1071 CA PHE A 64 10.134 -9.415 -4.289 1.00 40.31 C ATOM 1072 C PHE A 64 10.498 -10.394 -5.440 1.00 72.31 C ATOM 1073 O PHE A 64 11.061 -11.469 -5.204 1.00 2.43 O ATOM 1074 CB PHE A 64 8.780 -9.818 -3.633 1.00 24.23 C ATOM 1075 CG PHE A 64 8.496 -9.130 -2.294 1.00 4.13 C ATOM 1076 CD1 PHE A 64 9.361 -9.303 -1.211 1.00 64.23 C ATOM 1077 CD2 PHE A 64 7.375 -8.321 -2.110 1.00 52.24 C ATOM 1078 CE1 PHE A 64 9.117 -8.683 0.002 1.00 54.23 C ATOM 1079 CE2 PHE A 64 7.129 -7.704 -0.896 1.00 54.02 C ATOM 1080 CZ PHE A 64 8.003 -7.884 0.160 1.00 53.25 C ATOM 0 H PHE A 64 9.176 -7.576 -4.734 1.00 23.30 H new ATOM 0 HA PHE A 64 10.912 -9.483 -3.529 1.00 40.31 H new ATOM 0 HB2 PHE A 64 7.971 -9.586 -4.326 1.00 24.23 H new ATOM 0 HB3 PHE A 64 8.770 -10.897 -3.482 1.00 24.23 H new ATOM 0 HD1 PHE A 64 10.233 -9.930 -1.322 1.00 64.23 H new ATOM 0 HD2 PHE A 64 6.687 -8.173 -2.929 1.00 52.24 H new ATOM 0 HE1 PHE A 64 9.800 -8.825 0.827 1.00 54.23 H new ATOM 0 HE2 PHE A 64 6.255 -7.082 -0.774 1.00 54.02 H new ATOM 0 HZ PHE A 64 7.814 -7.400 1.107 1.00 53.25 H new ATOM 1090 N GLU A 65 10.169 -10.002 -6.682 1.00 44.13 N ATOM 1091 CA GLU A 65 10.560 -10.741 -7.908 1.00 32.42 C ATOM 1092 C GLU A 65 12.026 -10.428 -8.315 1.00 33.24 C ATOM 1093 O GLU A 65 12.782 -11.330 -8.702 1.00 2.31 O ATOM 1094 CB GLU A 65 9.578 -10.383 -9.055 1.00 3.32 C ATOM 1095 CG GLU A 65 8.114 -10.812 -8.787 1.00 2.32 C ATOM 1096 CD GLU A 65 7.113 -10.266 -9.822 1.00 0.24 C ATOM 1097 OE1 GLU A 65 6.936 -10.894 -10.888 1.00 52.20 O ATOM 1098 OE2 GLU A 65 6.505 -9.201 -9.576 1.00 43.01 O ATOM 0 H GLU A 65 9.623 -9.162 -6.871 1.00 44.13 H new ATOM 0 HA GLU A 65 10.505 -11.811 -7.707 1.00 32.42 H new ATOM 0 HB2 GLU A 65 9.606 -9.306 -9.221 1.00 3.32 H new ATOM 0 HB3 GLU A 65 9.922 -10.856 -9.975 1.00 3.32 H new ATOM 0 HG2 GLU A 65 8.059 -11.901 -8.779 1.00 2.32 H new ATOM 0 HG3 GLU A 65 7.820 -10.471 -7.794 1.00 2.32 H new ATOM 1105 N LYS A 66 12.411 -9.137 -8.211 1.00 11.14 N ATOM 1106 CA LYS A 66 13.764 -8.641 -8.564 1.00 54.14 C ATOM 1107 C LYS A 66 14.001 -7.215 -7.990 1.00 34.52 C ATOM 1108 O LYS A 66 13.383 -6.244 -8.434 1.00 25.25 O ATOM 1109 CB LYS A 66 13.980 -8.650 -10.110 1.00 40.11 C ATOM 1110 CG LYS A 66 15.361 -8.109 -10.565 1.00 60.51 C ATOM 1111 CD LYS A 66 15.602 -8.254 -12.088 1.00 24.05 C ATOM 1112 CE LYS A 66 14.535 -7.551 -12.946 1.00 14.01 C ATOM 1113 NZ LYS A 66 14.432 -6.101 -12.649 1.00 52.43 N ATOM 0 H LYS A 66 11.788 -8.402 -7.877 1.00 11.14 H new ATOM 0 HA LYS A 66 14.492 -9.317 -8.115 1.00 54.14 H new ATOM 0 HB2 LYS A 66 13.864 -9.670 -10.475 1.00 40.11 H new ATOM 0 HB3 LYS A 66 13.197 -8.053 -10.578 1.00 40.11 H new ATOM 0 HG2 LYS A 66 15.441 -7.057 -10.290 1.00 60.51 H new ATOM 0 HG3 LYS A 66 16.147 -8.640 -10.027 1.00 60.51 H new ATOM 0 HD2 LYS A 66 16.582 -7.845 -12.334 1.00 24.05 H new ATOM 0 HD3 LYS A 66 15.625 -9.313 -12.345 1.00 24.05 H new ATOM 0 HE2 LYS A 66 14.774 -7.686 -14.001 1.00 14.01 H new ATOM 0 HE3 LYS A 66 13.567 -8.023 -12.776 1.00 14.01 H new ATOM 0 HZ1 LYS A 66 13.700 -5.674 -13.252 1.00 52.43 H new ATOM 0 HZ2 LYS A 66 14.177 -5.969 -11.649 1.00 52.43 H new ATOM 0 HZ3 LYS A 66 15.346 -5.642 -12.837 1.00 52.43 H new ATOM 1127 N SER A 67 14.896 -7.110 -6.986 1.00 70.34 N ATOM 1128 CA SER A 67 15.272 -5.825 -6.340 1.00 15.32 C ATOM 1129 C SER A 67 16.801 -5.584 -6.419 1.00 4.10 C ATOM 1130 O SER A 67 17.363 -4.845 -5.599 1.00 43.31 O ATOM 1131 CB SER A 67 14.797 -5.830 -4.860 1.00 12.43 C ATOM 1132 OG SER A 67 14.929 -4.552 -4.249 1.00 10.23 O ATOM 0 H SER A 67 15.384 -7.916 -6.595 1.00 70.34 H new ATOM 0 HA SER A 67 14.782 -5.010 -6.874 1.00 15.32 H new ATOM 0 HB2 SER A 67 13.755 -6.146 -4.816 1.00 12.43 H new ATOM 0 HB3 SER A 67 15.376 -6.562 -4.297 1.00 12.43 H new ATOM 0 HG SER A 67 15.809 -4.177 -4.461 1.00 10.23 H new ATOM 1138 N LYS A 68 17.469 -6.201 -7.425 1.00 14.40 N ATOM 1139 CA LYS A 68 18.931 -6.029 -7.656 1.00 44.21 C ATOM 1140 C LYS A 68 19.299 -4.538 -7.895 1.00 11.22 C ATOM 1141 O LYS A 68 20.285 -4.030 -7.351 1.00 25.02 O ATOM 1142 CB LYS A 68 19.402 -6.906 -8.852 1.00 63.14 C ATOM 1143 CG LYS A 68 20.932 -6.875 -9.092 1.00 3.24 C ATOM 1144 CD LYS A 68 21.384 -7.779 -10.263 1.00 2.55 C ATOM 1145 CE LYS A 68 22.910 -7.739 -10.486 1.00 23.21 C ATOM 1146 NZ LYS A 68 23.339 -8.619 -11.606 1.00 0.24 N ATOM 0 H LYS A 68 17.019 -6.826 -8.094 1.00 14.40 H new ATOM 0 HA LYS A 68 19.449 -6.358 -6.755 1.00 44.21 H new ATOM 0 HB2 LYS A 68 19.093 -7.937 -8.677 1.00 63.14 H new ATOM 0 HB3 LYS A 68 18.896 -6.570 -9.757 1.00 63.14 H new ATOM 0 HG2 LYS A 68 21.241 -5.849 -9.293 1.00 3.24 H new ATOM 0 HG3 LYS A 68 21.442 -7.189 -8.181 1.00 3.24 H new ATOM 0 HD2 LYS A 68 21.076 -8.806 -10.065 1.00 2.55 H new ATOM 0 HD3 LYS A 68 20.878 -7.465 -11.176 1.00 2.55 H new ATOM 0 HE2 LYS A 68 23.218 -6.714 -10.693 1.00 23.21 H new ATOM 0 HE3 LYS A 68 23.417 -8.045 -9.571 1.00 23.21 H new ATOM 0 HZ1 LYS A 68 24.371 -8.560 -11.718 1.00 0.24 H new ATOM 0 HZ2 LYS A 68 23.069 -9.602 -11.398 1.00 0.24 H new ATOM 0 HZ3 LYS A 68 22.877 -8.312 -12.486 1.00 0.24 H new ATOM 1160 N CYS A 69 18.469 -3.855 -8.697 1.00 2.21 N ATOM 1161 CA CYS A 69 18.591 -2.404 -8.960 1.00 62.32 C ATOM 1162 C CYS A 69 17.183 -1.818 -9.230 1.00 42.05 C ATOM 1163 O CYS A 69 16.577 -1.205 -8.343 1.00 40.42 O ATOM 1164 CB CYS A 69 19.560 -2.151 -10.139 1.00 2.32 C ATOM 1165 SG CYS A 69 19.890 -0.413 -10.482 1.00 42.31 S ATOM 0 H CYS A 69 17.688 -4.292 -9.187 1.00 2.21 H new ATOM 0 HA CYS A 69 19.010 -1.900 -8.089 1.00 62.32 H new ATOM 0 HB2 CYS A 69 20.505 -2.652 -9.929 1.00 2.32 H new ATOM 0 HB3 CYS A 69 19.147 -2.613 -11.036 1.00 2.32 H new ATOM 0 HG CYS A 69 20.713 -0.317 -11.484 1.00 42.31 H new ATOM 1171 N ARG A 70 16.662 -2.029 -10.462 1.00 63.45 N ATOM 1172 CA ARG A 70 15.228 -1.831 -10.799 1.00 4.10 C ATOM 1173 C ARG A 70 14.687 -3.142 -11.453 1.00 52.03 C ATOM 1174 O ARG A 70 14.837 -3.312 -12.692 1.00 37.82 O ATOM 1175 CB ARG A 70 14.987 -0.597 -11.748 1.00 61.24 C ATOM 1176 CG ARG A 70 15.425 0.794 -11.205 1.00 3.10 C ATOM 1177 CD ARG A 70 16.931 1.081 -11.380 1.00 61.31 C ATOM 1178 NE ARG A 70 17.319 2.383 -10.803 1.00 64.42 N ATOM 1179 CZ ARG A 70 18.505 2.947 -10.907 1.00 42.03 C ATOM 1180 NH1 ARG A 70 19.471 2.390 -11.564 1.00 45.14 N ATOM 1181 NH2 ARG A 70 18.715 4.074 -10.336 1.00 43.13 N ATOM 1182 OXT ARG A 70 14.173 -4.021 -10.724 1.00 37.82 O ATOM 0 H ARG A 70 17.224 -2.342 -11.254 1.00 63.45 H new ATOM 0 HA ARG A 70 14.688 -1.612 -9.878 1.00 4.10 H new ATOM 0 HB2 ARG A 70 15.514 -0.779 -12.684 1.00 61.24 H new ATOM 0 HB3 ARG A 70 13.924 -0.551 -11.985 1.00 61.24 H new ATOM 0 HG2 ARG A 70 14.854 1.570 -11.716 1.00 3.10 H new ATOM 0 HG3 ARG A 70 15.173 0.857 -10.147 1.00 3.10 H new ATOM 0 HD2 ARG A 70 17.508 0.288 -10.905 1.00 61.31 H new ATOM 0 HD3 ARG A 70 17.182 1.066 -12.441 1.00 61.31 H new ATOM 0 HE ARG A 70 16.607 2.890 -10.278 1.00 64.42 H new ATOM 0 HH11 ARG A 70 19.325 1.489 -12.019 1.00 45.14 H new ATOM 0 HH12 ARG A 70 20.378 2.852 -11.626 1.00 45.14 H new ATOM 0 HH21 ARG A 70 17.968 4.525 -9.808 1.00 43.13 H new ATOM 0 HH22 ARG A 70 19.629 4.520 -10.409 1.00 43.13 H new TER 1196 ARG A 70