USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 713 hydrogens (8 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 NoAdj-H: B 365 SEP H2 : B 365 SEP N : B 364 ILE C :(H bumps) USER MOD NoAdj-H: B 367 SEP H2 : B 367 SEP N : B 366 ASP C :(H bumps) USER MOD Set 1.1: A 45 LYS NZ :NH3+ 162:sc= 2.2 (180deg=1.75) USER MOD Set 1.2: A 59 MET CE :methyl 154:sc= 0 (180deg=-0.037) USER MOD Set 2.1: A 29 GLN : amide:sc= 0.812 K(o=2.1,f=-1.6) USER MOD Set 2.2: A 91 TYR OH : rot 40:sc= 1.27 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 143:sc= 0.0496 (180deg=-0.792!) USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= 2.39 (180deg=2.18) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -0.118 USER MOD Single : A 35 HIS : no HD1:sc= -0.256 K(o=-0.26,f=-1) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 164:sc= 1.22 (180deg=1.12) USER MOD Single : A 40 MET CE :methyl 149:sc= -0.29 (180deg=-1.59) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -55:sc= -0.597 USER MOD Single : A 43 HIS : no HD1:sc= 0.078 K(o=0.078,f=-1) USER MOD Single : A 46 LYS NZ :NH3+ 145:sc= 1.78 (180deg=0.331!) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= 2.38 (180deg=2.02) USER MOD Single : A 50 SER OG : rot 113:sc= 1.21 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 58:sc= 0.788 USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 55 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.24) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -115:sc= 1.26 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 74 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.46) USER MOD Single : A 75 HIS : no HD1:sc= -0.136 K(o=-0.14,f=-6.5!) USER MOD Single : A 76 THR OG1 : rot -72:sc= 1.3 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.00229 USER MOD Single : B 357 ASN : amide:sc= -0.182 K(o=-0.18,f=-1.3!) USER MOD Single : B 358 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 2.833 5.628 10.280 1.00 10.00 N ATOM 2 CA TYR A 21 2.948 5.179 8.878 1.00 10.00 C ATOM 3 C TYR A 21 1.596 4.691 8.385 1.00 10.00 C ATOM 4 O TYR A 21 0.651 4.585 9.165 1.00 10.00 O ATOM 5 CB TYR A 21 3.969 4.046 8.755 1.00 10.00 C ATOM 6 CG TYR A 21 5.366 4.411 9.204 1.00 10.00 C ATOM 7 CD1 TYR A 21 6.291 4.932 8.309 1.00 10.00 C ATOM 8 CD2 TYR A 21 5.766 4.221 10.521 1.00 10.00 C ATOM 9 CE1 TYR A 21 7.575 5.253 8.715 1.00 10.00 C ATOM 10 CE2 TYR A 21 7.043 4.543 10.934 1.00 10.00 C ATOM 11 CZ TYR A 21 7.943 5.057 10.029 1.00 10.00 C ATOM 12 OH TYR A 21 9.219 5.370 10.441 1.00 10.00 O ATOM 0 HA TYR A 21 3.282 6.021 8.272 1.00 10.00 H new ATOM 0 HB2 TYR A 21 3.622 3.196 9.343 1.00 10.00 H new ATOM 0 HB3 TYR A 21 4.008 3.720 7.716 1.00 10.00 H new ATOM 0 HD1 TYR A 21 6.004 5.089 7.280 1.00 10.00 H new ATOM 0 HD2 TYR A 21 5.065 3.814 11.235 1.00 10.00 H new ATOM 0 HE1 TYR A 21 8.284 5.655 8.006 1.00 10.00 H new ATOM 0 HE2 TYR A 21 7.335 4.392 11.963 1.00 10.00 H new ATOM 0 HH TYR A 21 9.312 5.172 11.396 1.00 10.00 H new ATOM 22 N ILE A 22 1.514 4.390 7.098 1.00 10.00 N ATOM 23 CA ILE A 22 0.280 3.900 6.498 1.00 10.00 C ATOM 24 C ILE A 22 0.468 2.453 6.063 1.00 10.00 C ATOM 25 O ILE A 22 1.378 2.149 5.297 1.00 10.00 O ATOM 26 CB ILE A 22 -0.138 4.743 5.270 1.00 10.00 C ATOM 27 CG1 ILE A 22 0.036 6.244 5.543 1.00 10.00 C ATOM 28 CG2 ILE A 22 -1.579 4.432 4.873 1.00 10.00 C ATOM 29 CD1 ILE A 22 -0.879 6.787 6.622 1.00 10.00 C ATOM 0 H ILE A 22 2.292 4.477 6.444 1.00 10.00 H new ATOM 0 HA ILE A 22 -0.507 3.978 7.248 1.00 10.00 H new ATOM 0 HB ILE A 22 0.516 4.476 4.440 1.00 10.00 H new ATOM 0 HG12 ILE A 22 1.070 6.433 5.830 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -0.144 6.794 4.619 1.00 10.00 H new ATOM 0 HG21 ILE A 22 -1.856 5.034 4.008 1.00 10.00 H new ATOM 0 HG22 ILE A 22 -1.667 3.375 4.623 1.00 10.00 H new ATOM 0 HG23 ILE A 22 -2.244 4.665 5.705 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -0.694 7.853 6.754 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -1.918 6.633 6.330 1.00 10.00 H new ATOM 0 HD13 ILE A 22 -0.685 6.266 7.560 1.00 10.00 H new ATOM 41 N LYS A 23 -0.373 1.559 6.556 1.00 10.00 N ATOM 42 CA LYS A 23 -0.254 0.154 6.204 1.00 10.00 C ATOM 43 C LYS A 23 -1.259 -0.231 5.126 1.00 10.00 C ATOM 44 O LYS A 23 -2.470 -0.213 5.353 1.00 10.00 O ATOM 45 CB LYS A 23 -0.446 -0.716 7.442 1.00 10.00 C ATOM 46 CG LYS A 23 -0.030 -2.165 7.252 1.00 10.00 C ATOM 47 CD LYS A 23 -0.252 -2.983 8.518 1.00 10.00 C ATOM 48 CE LYS A 23 -1.724 -3.303 8.733 1.00 10.00 C ATOM 49 NZ LYS A 23 -2.436 -2.236 9.493 1.00 10.00 N ATOM 0 H LYS A 23 -1.138 1.778 7.194 1.00 10.00 H new ATOM 0 HA LYS A 23 0.747 -0.012 5.805 1.00 10.00 H new ATOM 0 HB2 LYS A 23 0.127 -0.290 8.265 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -1.495 -0.686 7.735 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.598 -2.603 6.431 1.00 10.00 H new ATOM 0 HG3 LYS A 23 1.022 -2.208 6.970 1.00 10.00 H new ATOM 0 HD2 LYS A 23 0.316 -3.911 8.455 1.00 10.00 H new ATOM 0 HD3 LYS A 23 0.130 -2.433 9.378 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -2.208 -3.440 7.766 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -1.812 -4.247 9.270 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -3.400 -2.127 9.118 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -2.484 -2.499 10.498 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -1.922 -1.337 9.394 1.00 10.00 H new ATOM 63 N LEU A 24 -0.745 -0.571 3.956 1.00 10.00 N ATOM 64 CA LEU A 24 -1.581 -0.970 2.838 1.00 10.00 C ATOM 65 C LEU A 24 -1.575 -2.486 2.705 1.00 10.00 C ATOM 66 O LEU A 24 -0.535 -3.127 2.881 1.00 10.00 O ATOM 67 CB LEU A 24 -1.084 -0.331 1.538 1.00 10.00 C ATOM 68 CG LEU A 24 -1.003 1.199 1.539 1.00 10.00 C ATOM 69 CD1 LEU A 24 -0.415 1.700 0.231 1.00 10.00 C ATOM 70 CD2 LEU A 24 -2.379 1.809 1.768 1.00 10.00 C ATOM 0 H LEU A 24 0.255 -0.578 3.756 1.00 10.00 H new ATOM 0 HA LEU A 24 -2.599 -0.628 3.025 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -0.094 -0.729 1.314 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -1.743 -0.641 0.727 1.00 10.00 H new ATOM 0 HG LEU A 24 -0.349 1.507 2.355 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -0.364 2.789 0.248 1.00 10.00 H new ATOM 0 HD12 LEU A 24 0.588 1.292 0.103 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -1.046 1.379 -0.598 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -2.300 2.896 1.765 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -3.054 1.492 0.973 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -2.769 1.476 2.730 1.00 10.00 H new ATOM 82 N LYS A 25 -2.729 -3.059 2.403 1.00 10.00 N ATOM 83 CA LYS A 25 -2.839 -4.501 2.256 1.00 10.00 C ATOM 84 C LYS A 25 -2.865 -4.893 0.786 1.00 10.00 C ATOM 85 O LYS A 25 -3.830 -4.603 0.072 1.00 10.00 O ATOM 86 CB LYS A 25 -4.096 -5.021 2.956 1.00 10.00 C ATOM 87 CG LYS A 25 -4.040 -4.906 4.472 1.00 10.00 C ATOM 88 CD LYS A 25 -5.201 -4.091 5.018 1.00 10.00 C ATOM 89 CE LYS A 25 -6.533 -4.799 4.817 1.00 10.00 C ATOM 90 NZ LYS A 25 -7.656 -4.055 5.448 1.00 10.00 N ATOM 0 H LYS A 25 -3.600 -2.549 2.255 1.00 10.00 H new ATOM 0 HA LYS A 25 -1.964 -4.953 2.723 1.00 10.00 H new ATOM 0 HB2 LYS A 25 -4.961 -4.468 2.590 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -4.247 -6.066 2.684 1.00 10.00 H new ATOM 0 HG2 LYS A 25 -4.056 -5.903 4.913 1.00 10.00 H new ATOM 0 HG3 LYS A 25 -3.099 -4.442 4.767 1.00 10.00 H new ATOM 0 HD2 LYS A 25 -5.046 -3.904 6.081 1.00 10.00 H new ATOM 0 HD3 LYS A 25 -5.227 -3.120 4.524 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -6.727 -4.913 3.750 1.00 10.00 H new ATOM 0 HE3 LYS A 25 -6.479 -5.802 5.240 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 -8.561 -4.440 5.109 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 -7.602 -4.156 6.482 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 -7.591 -3.048 5.195 1.00 10.00 H new ATOM 104 N VAL A 26 -1.795 -5.528 0.334 1.00 10.00 N ATOM 105 CA VAL A 26 -1.703 -5.977 -1.044 1.00 10.00 C ATOM 106 C VAL A 26 -2.305 -7.369 -1.150 1.00 10.00 C ATOM 107 O VAL A 26 -1.890 -8.284 -0.439 1.00 10.00 O ATOM 108 CB VAL A 26 -0.246 -6.005 -1.554 1.00 10.00 C ATOM 109 CG1 VAL A 26 -0.211 -6.155 -3.067 1.00 10.00 C ATOM 110 CG2 VAL A 26 0.507 -4.755 -1.119 1.00 10.00 C ATOM 0 H VAL A 26 -0.977 -5.744 0.904 1.00 10.00 H new ATOM 0 HA VAL A 26 -2.252 -5.270 -1.666 1.00 10.00 H new ATOM 0 HB VAL A 26 0.251 -6.869 -1.112 1.00 10.00 H new ATOM 0 HG11 VAL A 26 0.824 -6.173 -3.407 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -0.702 -7.085 -3.352 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -0.730 -5.315 -3.528 1.00 10.00 H new ATOM 0 HG21 VAL A 26 1.531 -4.799 -1.491 1.00 10.00 H new ATOM 0 HG22 VAL A 26 0.012 -3.872 -1.524 1.00 10.00 H new ATOM 0 HG23 VAL A 26 0.518 -4.697 -0.031 1.00 10.00 H new ATOM 120 N ILE A 27 -3.290 -7.522 -2.018 1.00 10.00 N ATOM 121 CA ILE A 27 -3.956 -8.801 -2.185 1.00 10.00 C ATOM 122 C ILE A 27 -3.317 -9.621 -3.297 1.00 10.00 C ATOM 123 O ILE A 27 -3.384 -9.256 -4.473 1.00 10.00 O ATOM 124 CB ILE A 27 -5.461 -8.620 -2.482 1.00 10.00 C ATOM 125 CG1 ILE A 27 -6.124 -7.782 -1.385 1.00 10.00 C ATOM 126 CG2 ILE A 27 -6.152 -9.969 -2.617 1.00 10.00 C ATOM 127 CD1 ILE A 27 -6.011 -8.379 0.004 1.00 10.00 C ATOM 0 H ILE A 27 -3.646 -6.777 -2.617 1.00 10.00 H new ATOM 0 HA ILE A 27 -3.844 -9.337 -1.243 1.00 10.00 H new ATOM 0 HB ILE A 27 -5.562 -8.092 -3.430 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -5.674 -6.789 -1.380 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -7.179 -7.653 -1.629 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -7.211 -9.816 -2.826 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -5.698 -10.530 -3.434 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -6.043 -10.528 -1.688 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -6.505 -7.725 0.722 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -6.487 -9.360 0.018 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -4.959 -8.482 0.271 1.00 10.00 H new ATOM 139 N GLY A 28 -2.677 -10.715 -2.912 1.00 10.00 N ATOM 140 CA GLY A 28 -2.055 -11.591 -3.882 1.00 10.00 C ATOM 141 C GLY A 28 -3.042 -12.604 -4.421 1.00 10.00 C ATOM 142 O GLY A 28 -4.035 -12.921 -3.761 1.00 10.00 O ATOM 0 H GLY A 28 -2.577 -11.012 -1.941 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -1.653 -10.999 -4.704 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -1.214 -12.109 -3.421 1.00 10.00 H new ATOM 146 N GLN A 29 -2.766 -13.130 -5.609 1.00 10.00 N ATOM 147 CA GLN A 29 -3.650 -14.106 -6.242 1.00 10.00 C ATOM 148 C GLN A 29 -3.709 -15.400 -5.429 1.00 10.00 C ATOM 149 O GLN A 29 -4.668 -16.162 -5.525 1.00 10.00 O ATOM 150 CB GLN A 29 -3.187 -14.388 -7.676 1.00 10.00 C ATOM 151 CG GLN A 29 -4.186 -15.187 -8.504 1.00 10.00 C ATOM 152 CD GLN A 29 -5.549 -14.523 -8.597 1.00 10.00 C ATOM 153 OE1 GLN A 29 -5.668 -13.299 -8.539 1.00 10.00 O ATOM 154 NE2 GLN A 29 -6.589 -15.329 -8.747 1.00 10.00 N ATOM 0 H GLN A 29 -1.936 -12.898 -6.155 1.00 10.00 H new ATOM 0 HA GLN A 29 -4.656 -13.687 -6.276 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -2.992 -13.440 -8.177 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -2.242 -14.931 -7.642 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -3.787 -15.326 -9.509 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -4.301 -16.179 -8.066 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -6.450 -16.338 -8.791 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -7.529 -14.940 -8.819 1.00 10.00 H new ATOM 163 N ASP A 30 -2.689 -15.631 -4.615 1.00 10.00 N ATOM 164 CA ASP A 30 -2.630 -16.827 -3.776 1.00 10.00 C ATOM 165 C ASP A 30 -3.195 -16.543 -2.385 1.00 10.00 C ATOM 166 O ASP A 30 -2.964 -17.300 -1.440 1.00 10.00 O ATOM 167 CB ASP A 30 -1.189 -17.340 -3.665 1.00 10.00 C ATOM 168 CG ASP A 30 -0.242 -16.311 -3.085 1.00 10.00 C ATOM 169 OD1 ASP A 30 0.348 -15.540 -3.866 1.00 10.00 O ATOM 170 OD2 ASP A 30 -0.092 -16.256 -1.849 1.00 10.00 O ATOM 0 H ASP A 30 -1.888 -15.007 -4.515 1.00 10.00 H new ATOM 0 HA ASP A 30 -3.240 -17.598 -4.247 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -1.174 -18.234 -3.041 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -0.836 -17.635 -4.653 1.00 10.00 H new ATOM 175 N SER A 31 -3.949 -15.448 -2.279 1.00 10.00 N ATOM 176 CA SER A 31 -4.570 -15.032 -1.022 1.00 10.00 C ATOM 177 C SER A 31 -3.518 -14.704 0.039 1.00 10.00 C ATOM 178 O SER A 31 -3.621 -15.132 1.190 1.00 10.00 O ATOM 179 CB SER A 31 -5.532 -16.114 -0.508 1.00 10.00 C ATOM 180 OG SER A 31 -6.519 -16.422 -1.482 1.00 10.00 O ATOM 0 H SER A 31 -4.146 -14.825 -3.062 1.00 10.00 H new ATOM 0 HA SER A 31 -5.140 -14.124 -1.220 1.00 10.00 H new ATOM 0 HB2 SER A 31 -4.971 -17.014 -0.256 1.00 10.00 H new ATOM 0 HB3 SER A 31 -6.014 -15.772 0.408 1.00 10.00 H new ATOM 0 HG SER A 31 -7.118 -17.114 -1.133 1.00 10.00 H new ATOM 186 N SER A 32 -2.502 -13.950 -0.361 1.00 10.00 N ATOM 187 CA SER A 32 -1.442 -13.550 0.550 1.00 10.00 C ATOM 188 C SER A 32 -1.775 -12.203 1.175 1.00 10.00 C ATOM 189 O SER A 32 -2.105 -11.249 0.467 1.00 10.00 O ATOM 190 CB SER A 32 -0.117 -13.460 -0.205 1.00 10.00 C ATOM 191 OG SER A 32 -0.321 -13.603 -1.601 1.00 10.00 O ATOM 0 H SER A 32 -2.391 -13.603 -1.314 1.00 10.00 H new ATOM 0 HA SER A 32 -1.352 -14.295 1.341 1.00 10.00 H new ATOM 0 HB2 SER A 32 0.359 -12.502 0.001 1.00 10.00 H new ATOM 0 HB3 SER A 32 0.562 -14.236 0.149 1.00 10.00 H new ATOM 0 HG SER A 32 0.540 -13.541 -2.065 1.00 10.00 H new ATOM 197 N GLU A 33 -1.704 -12.132 2.495 1.00 10.00 N ATOM 198 CA GLU A 33 -1.996 -10.901 3.203 1.00 10.00 C ATOM 199 C GLU A 33 -0.712 -10.096 3.418 1.00 10.00 C ATOM 200 O GLU A 33 -0.029 -10.232 4.435 1.00 10.00 O ATOM 201 CB GLU A 33 -2.692 -11.210 4.531 1.00 10.00 C ATOM 202 CG GLU A 33 -4.063 -11.852 4.355 1.00 10.00 C ATOM 203 CD GLU A 33 -4.122 -13.300 4.820 1.00 10.00 C ATOM 204 OE1 GLU A 33 -5.084 -13.660 5.532 1.00 10.00 O ATOM 205 OE2 GLU A 33 -3.220 -14.092 4.470 1.00 10.00 O ATOM 0 H GLU A 33 -1.446 -12.915 3.096 1.00 10.00 H new ATOM 0 HA GLU A 33 -2.673 -10.294 2.602 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -2.059 -11.875 5.119 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -2.801 -10.287 5.100 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -4.801 -11.271 4.909 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -4.345 -11.805 3.303 1.00 10.00 H new ATOM 212 N ILE A 34 -0.385 -9.265 2.437 1.00 10.00 N ATOM 213 CA ILE A 34 0.823 -8.449 2.483 1.00 10.00 C ATOM 214 C ILE A 34 0.630 -7.190 3.330 1.00 10.00 C ATOM 215 O ILE A 34 -0.324 -6.435 3.133 1.00 10.00 O ATOM 216 CB ILE A 34 1.260 -8.023 1.063 1.00 10.00 C ATOM 217 CG1 ILE A 34 1.262 -9.225 0.104 1.00 10.00 C ATOM 218 CG2 ILE A 34 2.632 -7.362 1.097 1.00 10.00 C ATOM 219 CD1 ILE A 34 2.373 -10.223 0.358 1.00 10.00 C ATOM 0 H ILE A 34 -0.944 -9.137 1.593 1.00 10.00 H new ATOM 0 HA ILE A 34 1.595 -9.069 2.939 1.00 10.00 H new ATOM 0 HB ILE A 34 0.538 -7.296 0.693 1.00 10.00 H new ATOM 0 HG12 ILE A 34 0.304 -9.738 0.181 1.00 10.00 H new ATOM 0 HG13 ILE A 34 1.346 -8.859 -0.919 1.00 10.00 H new ATOM 0 HG21 ILE A 34 2.920 -7.070 0.087 1.00 10.00 H new ATOM 0 HG22 ILE A 34 2.594 -6.478 1.734 1.00 10.00 H new ATOM 0 HG23 ILE A 34 3.365 -8.064 1.495 1.00 10.00 H new ATOM 0 HD11 ILE A 34 2.301 -11.038 -0.362 1.00 10.00 H new ATOM 0 HD12 ILE A 34 3.338 -9.728 0.251 1.00 10.00 H new ATOM 0 HD13 ILE A 34 2.280 -10.622 1.368 1.00 10.00 H new ATOM 231 N HIS A 35 1.543 -6.972 4.267 1.00 10.00 N ATOM 232 CA HIS A 35 1.506 -5.801 5.133 1.00 10.00 C ATOM 233 C HIS A 35 2.555 -4.799 4.664 1.00 10.00 C ATOM 234 O HIS A 35 3.712 -4.848 5.091 1.00 10.00 O ATOM 235 CB HIS A 35 1.788 -6.184 6.594 1.00 10.00 C ATOM 236 CG HIS A 35 0.631 -6.809 7.317 1.00 10.00 C ATOM 237 ND1 HIS A 35 0.333 -6.462 8.613 1.00 10.00 N ATOM 238 CD2 HIS A 35 -0.236 -7.762 6.905 1.00 10.00 C ATOM 239 CE1 HIS A 35 -0.700 -7.208 8.958 1.00 10.00 C ATOM 240 NE2 HIS A 35 -1.081 -8.014 7.958 1.00 10.00 N ATOM 0 H HIS A 35 2.327 -7.599 4.448 1.00 10.00 H new ATOM 0 HA HIS A 35 0.510 -5.362 5.079 1.00 10.00 H new ATOM 0 HB2 HIS A 35 2.629 -6.877 6.617 1.00 10.00 H new ATOM 0 HB3 HIS A 35 2.096 -5.290 7.136 1.00 10.00 H new ATOM 0 HD2 HIS A 35 -0.259 -8.234 5.934 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -1.178 -7.173 9.926 1.00 10.00 H new ATOM 0 HE2 HIS A 35 -1.849 -8.685 7.975 1.00 10.00 H new ATOM 248 N PHE A 36 2.167 -3.909 3.766 1.00 10.00 N ATOM 249 CA PHE A 36 3.097 -2.920 3.250 1.00 10.00 C ATOM 250 C PHE A 36 3.028 -1.635 4.063 1.00 10.00 C ATOM 251 O PHE A 36 2.040 -0.904 4.004 1.00 10.00 O ATOM 252 CB PHE A 36 2.808 -2.625 1.776 1.00 10.00 C ATOM 253 CG PHE A 36 4.048 -2.442 0.940 1.00 10.00 C ATOM 254 CD1 PHE A 36 5.226 -1.980 1.508 1.00 10.00 C ATOM 255 CD2 PHE A 36 4.034 -2.734 -0.415 1.00 10.00 C ATOM 256 CE1 PHE A 36 6.364 -1.816 0.744 1.00 10.00 C ATOM 257 CE2 PHE A 36 5.170 -2.570 -1.184 1.00 10.00 C ATOM 258 CZ PHE A 36 6.336 -2.110 -0.605 1.00 10.00 C ATOM 0 H PHE A 36 1.224 -3.851 3.382 1.00 10.00 H new ATOM 0 HA PHE A 36 4.104 -3.330 3.335 1.00 10.00 H new ATOM 0 HB2 PHE A 36 2.218 -3.442 1.360 1.00 10.00 H new ATOM 0 HB3 PHE A 36 2.198 -1.724 1.708 1.00 10.00 H new ATOM 0 HD1 PHE A 36 5.253 -1.745 2.562 1.00 10.00 H new ATOM 0 HD2 PHE A 36 3.125 -3.094 -0.875 1.00 10.00 H new ATOM 0 HE1 PHE A 36 7.275 -1.458 1.201 1.00 10.00 H new ATOM 0 HE2 PHE A 36 5.146 -2.802 -2.239 1.00 10.00 H new ATOM 0 HZ PHE A 36 7.224 -1.980 -1.206 1.00 10.00 H new ATOM 268 N LYS A 37 4.077 -1.371 4.828 1.00 10.00 N ATOM 269 CA LYS A 37 4.141 -0.169 5.641 1.00 10.00 C ATOM 270 C LYS A 37 4.746 0.967 4.825 1.00 10.00 C ATOM 271 O LYS A 37 5.967 1.073 4.699 1.00 10.00 O ATOM 272 CB LYS A 37 4.965 -0.419 6.907 1.00 10.00 C ATOM 273 CG LYS A 37 4.867 0.701 7.932 1.00 10.00 C ATOM 274 CD LYS A 37 5.739 0.434 9.151 1.00 10.00 C ATOM 275 CE LYS A 37 5.237 -0.758 9.951 1.00 10.00 C ATOM 276 NZ LYS A 37 5.987 -0.930 11.222 1.00 10.00 N ATOM 0 H LYS A 37 4.896 -1.975 4.902 1.00 10.00 H new ATOM 0 HA LYS A 37 3.132 0.109 5.945 1.00 10.00 H new ATOM 0 HB2 LYS A 37 4.634 -1.350 7.367 1.00 10.00 H new ATOM 0 HB3 LYS A 37 6.010 -0.554 6.629 1.00 10.00 H new ATOM 0 HG2 LYS A 37 5.166 1.642 7.471 1.00 10.00 H new ATOM 0 HG3 LYS A 37 3.830 0.816 8.246 1.00 10.00 H new ATOM 0 HD2 LYS A 37 6.765 0.252 8.832 1.00 10.00 H new ATOM 0 HD3 LYS A 37 5.756 1.319 9.788 1.00 10.00 H new ATOM 0 HE2 LYS A 37 4.177 -0.627 10.170 1.00 10.00 H new ATOM 0 HE3 LYS A 37 5.329 -1.663 9.350 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 5.614 -1.753 11.737 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 6.995 -1.080 11.013 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 5.878 -0.077 11.807 1.00 10.00 H new ATOM 290 N VAL A 38 3.887 1.800 4.262 1.00 10.00 N ATOM 291 CA VAL A 38 4.329 2.915 3.444 1.00 10.00 C ATOM 292 C VAL A 38 4.344 4.209 4.251 1.00 10.00 C ATOM 293 O VAL A 38 3.812 4.271 5.364 1.00 10.00 O ATOM 294 CB VAL A 38 3.441 3.088 2.188 1.00 10.00 C ATOM 295 CG1 VAL A 38 3.246 1.755 1.482 1.00 10.00 C ATOM 296 CG2 VAL A 38 2.096 3.703 2.545 1.00 10.00 C ATOM 0 H VAL A 38 2.874 1.724 4.358 1.00 10.00 H new ATOM 0 HA VAL A 38 5.344 2.690 3.115 1.00 10.00 H new ATOM 0 HB VAL A 38 3.953 3.770 1.509 1.00 10.00 H new ATOM 0 HG11 VAL A 38 2.619 1.898 0.602 1.00 10.00 H new ATOM 0 HG12 VAL A 38 4.215 1.360 1.177 1.00 10.00 H new ATOM 0 HG13 VAL A 38 2.764 1.051 2.160 1.00 10.00 H new ATOM 0 HG21 VAL A 38 1.495 3.812 1.642 1.00 10.00 H new ATOM 0 HG22 VAL A 38 1.576 3.056 3.251 1.00 10.00 H new ATOM 0 HG23 VAL A 38 2.252 4.682 2.997 1.00 10.00 H new ATOM 306 N LYS A 39 4.954 5.239 3.691 1.00 10.00 N ATOM 307 CA LYS A 39 5.045 6.522 4.360 1.00 10.00 C ATOM 308 C LYS A 39 4.337 7.595 3.542 1.00 10.00 C ATOM 309 O LYS A 39 4.501 7.670 2.322 1.00 10.00 O ATOM 310 CB LYS A 39 6.514 6.893 4.568 1.00 10.00 C ATOM 311 CG LYS A 39 6.759 7.771 5.783 1.00 10.00 C ATOM 312 CD LYS A 39 8.236 8.054 5.962 1.00 10.00 C ATOM 313 CE LYS A 39 8.490 8.989 7.126 1.00 10.00 C ATOM 314 NZ LYS A 39 9.871 9.537 7.102 1.00 10.00 N ATOM 0 H LYS A 39 5.395 5.210 2.772 1.00 10.00 H new ATOM 0 HA LYS A 39 4.557 6.452 5.332 1.00 10.00 H new ATOM 0 HB2 LYS A 39 7.099 5.979 4.668 1.00 10.00 H new ATOM 0 HB3 LYS A 39 6.878 7.409 3.679 1.00 10.00 H new ATOM 0 HG2 LYS A 39 6.216 8.710 5.672 1.00 10.00 H new ATOM 0 HG3 LYS A 39 6.369 7.280 6.675 1.00 10.00 H new ATOM 0 HD2 LYS A 39 8.769 7.117 6.125 1.00 10.00 H new ATOM 0 HD3 LYS A 39 8.636 8.494 5.048 1.00 10.00 H new ATOM 0 HE2 LYS A 39 7.773 9.809 7.097 1.00 10.00 H new ATOM 0 HE3 LYS A 39 8.327 8.456 8.063 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 9.928 10.361 7.734 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 10.539 8.808 7.423 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 10.113 9.826 6.133 1.00 10.00 H new ATOM 328 N MET A 40 3.554 8.424 4.216 1.00 10.00 N ATOM 329 CA MET A 40 2.811 9.489 3.552 1.00 10.00 C ATOM 330 C MET A 40 3.712 10.693 3.278 1.00 10.00 C ATOM 331 O MET A 40 3.677 11.693 4.001 1.00 10.00 O ATOM 332 CB MET A 40 1.605 9.903 4.399 1.00 10.00 C ATOM 333 CG MET A 40 0.668 10.876 3.700 1.00 10.00 C ATOM 334 SD MET A 40 0.070 10.262 2.112 1.00 10.00 S ATOM 335 CE MET A 40 -0.811 8.789 2.627 1.00 10.00 C ATOM 0 H MET A 40 3.415 8.381 5.226 1.00 10.00 H new ATOM 0 HA MET A 40 2.452 9.111 2.595 1.00 10.00 H new ATOM 0 HB2 MET A 40 1.045 9.010 4.677 1.00 10.00 H new ATOM 0 HB3 MET A 40 1.961 10.357 5.324 1.00 10.00 H new ATOM 0 HG2 MET A 40 -0.184 11.081 4.348 1.00 10.00 H new ATOM 0 HG3 MET A 40 1.186 11.823 3.546 1.00 10.00 H new ATOM 0 HE1 MET A 40 -1.646 8.609 1.950 1.00 10.00 H new ATOM 0 HE2 MET A 40 -0.135 7.934 2.605 1.00 10.00 H new ATOM 0 HE3 MET A 40 -1.189 8.926 3.640 1.00 10.00 H new ATOM 345 N THR A 41 4.537 10.572 2.243 1.00 10.00 N ATOM 346 CA THR A 41 5.455 11.636 1.847 1.00 10.00 C ATOM 347 C THR A 41 6.306 11.185 0.659 1.00 10.00 C ATOM 348 O THR A 41 6.595 11.967 -0.248 1.00 10.00 O ATOM 349 CB THR A 41 6.366 12.089 3.022 1.00 10.00 C ATOM 350 OG1 THR A 41 7.327 13.057 2.575 1.00 10.00 O ATOM 351 CG2 THR A 41 7.084 10.907 3.655 1.00 10.00 C ATOM 0 H THR A 41 4.589 9.739 1.657 1.00 10.00 H new ATOM 0 HA THR A 41 4.852 12.495 1.553 1.00 10.00 H new ATOM 0 HB THR A 41 5.724 12.545 3.775 1.00 10.00 H new ATOM 0 HG1 THR A 41 7.890 13.331 3.329 1.00 10.00 H new ATOM 0 HG21 THR A 41 7.713 11.259 4.473 1.00 10.00 H new ATOM 0 HG22 THR A 41 6.350 10.199 4.040 1.00 10.00 H new ATOM 0 HG23 THR A 41 7.705 10.415 2.906 1.00 10.00 H new ATOM 359 N THR A 42 6.689 9.915 0.664 1.00 10.00 N ATOM 360 CA THR A 42 7.490 9.351 -0.408 1.00 10.00 C ATOM 361 C THR A 42 6.596 8.970 -1.589 1.00 10.00 C ATOM 362 O THR A 42 5.431 8.614 -1.399 1.00 10.00 O ATOM 363 CB THR A 42 8.239 8.110 0.093 1.00 10.00 C ATOM 364 OG1 THR A 42 8.350 8.181 1.519 1.00 10.00 O ATOM 365 CG2 THR A 42 9.626 8.022 -0.533 1.00 10.00 C ATOM 0 H THR A 42 6.455 9.254 1.405 1.00 10.00 H new ATOM 0 HA THR A 42 8.213 10.099 -0.735 1.00 10.00 H new ATOM 0 HB THR A 42 7.683 7.218 -0.195 1.00 10.00 H new ATOM 0 HG1 THR A 42 8.781 9.024 1.772 1.00 10.00 H new ATOM 0 HG21 THR A 42 10.137 7.134 -0.162 1.00 10.00 H new ATOM 0 HG22 THR A 42 9.533 7.961 -1.617 1.00 10.00 H new ATOM 0 HG23 THR A 42 10.202 8.909 -0.268 1.00 10.00 H new ATOM 373 N HIS A 43 7.132 9.054 -2.800 1.00 10.00 N ATOM 374 CA HIS A 43 6.368 8.717 -4.001 1.00 10.00 C ATOM 375 C HIS A 43 6.087 7.218 -4.060 1.00 10.00 C ATOM 376 O HIS A 43 6.853 6.414 -3.523 1.00 10.00 O ATOM 377 CB HIS A 43 7.128 9.151 -5.258 1.00 10.00 C ATOM 378 CG HIS A 43 7.775 10.495 -5.139 1.00 10.00 C ATOM 379 ND1 HIS A 43 9.062 10.621 -4.680 1.00 10.00 N ATOM 380 CD2 HIS A 43 7.279 11.724 -5.418 1.00 10.00 C ATOM 381 CE1 HIS A 43 9.322 11.917 -4.687 1.00 10.00 C ATOM 382 NE2 HIS A 43 8.272 12.625 -5.125 1.00 10.00 N ATOM 0 H HIS A 43 8.091 9.352 -2.980 1.00 10.00 H new ATOM 0 HA HIS A 43 5.418 9.250 -3.957 1.00 10.00 H new ATOM 0 HB2 HIS A 43 7.893 8.408 -5.483 1.00 10.00 H new ATOM 0 HB3 HIS A 43 6.438 9.164 -6.102 1.00 10.00 H new ATOM 0 HD2 HIS A 43 6.294 11.951 -5.797 1.00 10.00 H new ATOM 0 HE1 HIS A 43 10.262 12.350 -4.379 1.00 10.00 H new ATOM 0 HE2 HIS A 43 8.221 13.639 -5.222 1.00 10.00 H new ATOM 390 N LEU A 44 5.003 6.843 -4.735 1.00 10.00 N ATOM 391 CA LEU A 44 4.625 5.439 -4.858 1.00 10.00 C ATOM 392 C LEU A 44 5.609 4.680 -5.742 1.00 10.00 C ATOM 393 O LEU A 44 5.635 3.450 -5.734 1.00 10.00 O ATOM 394 CB LEU A 44 3.204 5.306 -5.409 1.00 10.00 C ATOM 395 CG LEU A 44 2.092 5.531 -4.381 1.00 10.00 C ATOM 396 CD1 LEU A 44 0.738 5.612 -5.064 1.00 10.00 C ATOM 397 CD2 LEU A 44 2.092 4.419 -3.343 1.00 10.00 C ATOM 0 H LEU A 44 4.372 7.492 -5.205 1.00 10.00 H new ATOM 0 HA LEU A 44 4.654 4.999 -3.861 1.00 10.00 H new ATOM 0 HB2 LEU A 44 3.077 6.020 -6.223 1.00 10.00 H new ATOM 0 HB3 LEU A 44 3.087 4.310 -5.837 1.00 10.00 H new ATOM 0 HG LEU A 44 2.282 6.479 -3.877 1.00 10.00 H new ATOM 0 HD11 LEU A 44 -0.038 5.772 -4.316 1.00 10.00 H new ATOM 0 HD12 LEU A 44 0.736 6.441 -5.771 1.00 10.00 H new ATOM 0 HD13 LEU A 44 0.543 4.681 -5.596 1.00 10.00 H new ATOM 0 HD21 LEU A 44 1.295 4.596 -2.621 1.00 10.00 H new ATOM 0 HD22 LEU A 44 1.929 3.461 -3.836 1.00 10.00 H new ATOM 0 HD23 LEU A 44 3.052 4.403 -2.827 1.00 10.00 H new ATOM 409 N LYS A 45 6.415 5.418 -6.500 1.00 10.00 N ATOM 410 CA LYS A 45 7.416 4.808 -7.366 1.00 10.00 C ATOM 411 C LYS A 45 8.380 3.972 -6.536 1.00 10.00 C ATOM 412 O LYS A 45 8.665 2.819 -6.868 1.00 10.00 O ATOM 413 CB LYS A 45 8.193 5.882 -8.132 1.00 10.00 C ATOM 414 CG LYS A 45 9.422 5.338 -8.837 1.00 10.00 C ATOM 415 CD LYS A 45 10.047 6.362 -9.766 1.00 10.00 C ATOM 416 CE LYS A 45 11.266 5.785 -10.468 1.00 10.00 C ATOM 417 NZ LYS A 45 11.063 4.361 -10.851 1.00 10.00 N ATOM 0 H LYS A 45 6.394 6.437 -6.531 1.00 10.00 H new ATOM 0 HA LYS A 45 6.906 4.166 -8.084 1.00 10.00 H new ATOM 0 HB2 LYS A 45 7.534 6.344 -8.867 1.00 10.00 H new ATOM 0 HB3 LYS A 45 8.496 6.667 -7.439 1.00 10.00 H new ATOM 0 HG2 LYS A 45 10.157 5.026 -8.095 1.00 10.00 H new ATOM 0 HG3 LYS A 45 9.149 4.450 -9.408 1.00 10.00 H new ATOM 0 HD2 LYS A 45 9.314 6.683 -10.506 1.00 10.00 H new ATOM 0 HD3 LYS A 45 10.334 7.247 -9.198 1.00 10.00 H new ATOM 0 HE2 LYS A 45 11.484 6.373 -11.359 1.00 10.00 H new ATOM 0 HE3 LYS A 45 12.134 5.865 -9.813 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 11.760 4.094 -11.575 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 11.184 3.756 -10.014 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 10.103 4.237 -11.232 1.00 10.00 H new ATOM 431 N LYS A 46 8.846 4.557 -5.435 1.00 10.00 N ATOM 432 CA LYS A 46 9.778 3.892 -4.532 1.00 10.00 C ATOM 433 C LYS A 46 9.174 2.594 -3.998 1.00 10.00 C ATOM 434 O LYS A 46 9.881 1.619 -3.759 1.00 10.00 O ATOM 435 CB LYS A 46 10.141 4.834 -3.374 1.00 10.00 C ATOM 436 CG LYS A 46 11.090 4.232 -2.347 1.00 10.00 C ATOM 437 CD LYS A 46 12.491 4.025 -2.908 1.00 10.00 C ATOM 438 CE LYS A 46 13.255 5.336 -3.029 1.00 10.00 C ATOM 439 NZ LYS A 46 13.504 5.968 -1.703 1.00 10.00 N ATOM 0 H LYS A 46 8.589 5.501 -5.146 1.00 10.00 H new ATOM 0 HA LYS A 46 10.685 3.642 -5.082 1.00 10.00 H new ATOM 0 HB2 LYS A 46 10.594 5.736 -3.784 1.00 10.00 H new ATOM 0 HB3 LYS A 46 9.224 5.139 -2.869 1.00 10.00 H new ATOM 0 HG2 LYS A 46 11.142 4.886 -1.476 1.00 10.00 H new ATOM 0 HG3 LYS A 46 10.693 3.276 -2.005 1.00 10.00 H new ATOM 0 HD2 LYS A 46 13.043 3.342 -2.263 1.00 10.00 H new ATOM 0 HD3 LYS A 46 12.423 3.553 -3.888 1.00 10.00 H new ATOM 0 HE2 LYS A 46 14.207 5.155 -3.527 1.00 10.00 H new ATOM 0 HE3 LYS A 46 12.692 6.026 -3.658 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 14.429 6.444 -1.713 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 12.758 6.665 -1.505 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 13.499 5.237 -0.964 1.00 10.00 H new ATOM 453 N LEU A 47 7.859 2.585 -3.842 1.00 10.00 N ATOM 454 CA LEU A 47 7.154 1.413 -3.340 1.00 10.00 C ATOM 455 C LEU A 47 7.073 0.332 -4.416 1.00 10.00 C ATOM 456 O LEU A 47 7.238 -0.855 -4.135 1.00 10.00 O ATOM 457 CB LEU A 47 5.740 1.796 -2.875 1.00 10.00 C ATOM 458 CG LEU A 47 5.639 2.427 -1.476 1.00 10.00 C ATOM 459 CD1 LEU A 47 6.250 1.514 -0.430 1.00 10.00 C ATOM 460 CD2 LEU A 47 6.297 3.800 -1.438 1.00 10.00 C ATOM 0 H LEU A 47 7.256 3.379 -4.056 1.00 10.00 H new ATOM 0 HA LEU A 47 7.711 1.019 -2.490 1.00 10.00 H new ATOM 0 HB2 LEU A 47 5.318 2.494 -3.598 1.00 10.00 H new ATOM 0 HB3 LEU A 47 5.118 0.901 -2.894 1.00 10.00 H new ATOM 0 HG LEU A 47 4.581 2.557 -1.247 1.00 10.00 H new ATOM 0 HD11 LEU A 47 6.168 1.980 0.552 1.00 10.00 H new ATOM 0 HD12 LEU A 47 5.721 0.561 -0.425 1.00 10.00 H new ATOM 0 HD13 LEU A 47 7.301 1.344 -0.664 1.00 10.00 H new ATOM 0 HD21 LEU A 47 6.208 4.218 -0.435 1.00 10.00 H new ATOM 0 HD22 LEU A 47 7.351 3.706 -1.700 1.00 10.00 H new ATOM 0 HD23 LEU A 47 5.804 4.460 -2.152 1.00 10.00 H new ATOM 472 N LYS A 48 6.846 0.760 -5.652 1.00 10.00 N ATOM 473 CA LYS A 48 6.729 -0.157 -6.783 1.00 10.00 C ATOM 474 C LYS A 48 8.026 -0.929 -7.024 1.00 10.00 C ATOM 475 O LYS A 48 8.019 -2.160 -7.095 1.00 10.00 O ATOM 476 CB LYS A 48 6.342 0.612 -8.051 1.00 10.00 C ATOM 477 CG LYS A 48 4.967 1.263 -7.979 1.00 10.00 C ATOM 478 CD LYS A 48 4.685 2.118 -9.206 1.00 10.00 C ATOM 479 CE LYS A 48 4.535 1.273 -10.463 1.00 10.00 C ATOM 480 NZ LYS A 48 4.252 2.108 -11.657 1.00 10.00 N ATOM 0 H LYS A 48 6.738 1.744 -5.899 1.00 10.00 H new ATOM 0 HA LYS A 48 5.948 -0.878 -6.540 1.00 10.00 H new ATOM 0 HB2 LYS A 48 7.089 1.383 -8.240 1.00 10.00 H new ATOM 0 HB3 LYS A 48 6.367 -0.071 -8.900 1.00 10.00 H new ATOM 0 HG2 LYS A 48 4.203 0.491 -7.890 1.00 10.00 H new ATOM 0 HG3 LYS A 48 4.903 1.880 -7.083 1.00 10.00 H new ATOM 0 HD2 LYS A 48 3.774 2.695 -9.045 1.00 10.00 H new ATOM 0 HD3 LYS A 48 5.495 2.834 -9.344 1.00 10.00 H new ATOM 0 HE2 LYS A 48 5.448 0.701 -10.628 1.00 10.00 H new ATOM 0 HE3 LYS A 48 3.729 0.553 -10.323 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 4.374 1.536 -12.517 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 3.275 2.460 -11.611 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 4.909 2.914 -11.681 1.00 10.00 H new ATOM 494 N GLU A 49 9.134 -0.207 -7.142 1.00 10.00 N ATOM 495 CA GLU A 49 10.430 -0.834 -7.395 1.00 10.00 C ATOM 496 C GLU A 49 10.857 -1.726 -6.229 1.00 10.00 C ATOM 497 O GLU A 49 11.511 -2.750 -6.433 1.00 10.00 O ATOM 498 CB GLU A 49 11.497 0.226 -7.690 1.00 10.00 C ATOM 499 CG GLU A 49 11.462 1.422 -6.754 1.00 10.00 C ATOM 500 CD GLU A 49 11.878 2.711 -7.438 1.00 10.00 C ATOM 501 OE1 GLU A 49 12.405 3.606 -6.745 1.00 10.00 O ATOM 502 OE2 GLU A 49 11.683 2.831 -8.670 1.00 10.00 O ATOM 0 H GLU A 49 9.164 0.810 -7.067 1.00 10.00 H new ATOM 0 HA GLU A 49 10.325 -1.469 -8.274 1.00 10.00 H new ATOM 0 HB2 GLU A 49 12.481 -0.239 -7.631 1.00 10.00 H new ATOM 0 HB3 GLU A 49 11.371 0.577 -8.714 1.00 10.00 H new ATOM 0 HG2 GLU A 49 10.455 1.536 -6.354 1.00 10.00 H new ATOM 0 HG3 GLU A 49 12.122 1.235 -5.907 1.00 10.00 H new ATOM 509 N SER A 50 10.463 -1.360 -5.012 1.00 10.00 N ATOM 510 CA SER A 50 10.815 -2.146 -3.836 1.00 10.00 C ATOM 511 C SER A 50 10.012 -3.446 -3.788 1.00 10.00 C ATOM 512 O SER A 50 10.519 -4.484 -3.361 1.00 10.00 O ATOM 513 CB SER A 50 10.590 -1.333 -2.561 1.00 10.00 C ATOM 514 OG SER A 50 11.388 -0.159 -2.562 1.00 10.00 O ATOM 0 H SER A 50 9.904 -0.530 -4.816 1.00 10.00 H new ATOM 0 HA SER A 50 11.873 -2.401 -3.904 1.00 10.00 H new ATOM 0 HB2 SER A 50 9.537 -1.062 -2.479 1.00 10.00 H new ATOM 0 HB3 SER A 50 10.832 -1.941 -1.689 1.00 10.00 H new ATOM 0 HG SER A 50 10.810 0.629 -2.629 1.00 10.00 H new ATOM 520 N TYR A 51 8.761 -3.392 -4.244 1.00 10.00 N ATOM 521 CA TYR A 51 7.907 -4.574 -4.257 1.00 10.00 C ATOM 522 C TYR A 51 8.457 -5.608 -5.232 1.00 10.00 C ATOM 523 O TYR A 51 8.394 -6.813 -4.980 1.00 10.00 O ATOM 524 CB TYR A 51 6.470 -4.208 -4.636 1.00 10.00 C ATOM 525 CG TYR A 51 5.469 -5.305 -4.346 1.00 10.00 C ATOM 526 CD1 TYR A 51 5.031 -5.548 -3.049 1.00 10.00 C ATOM 527 CD2 TYR A 51 4.952 -6.093 -5.368 1.00 10.00 C ATOM 528 CE1 TYR A 51 4.111 -6.543 -2.780 1.00 10.00 C ATOM 529 CE2 TYR A 51 4.031 -7.091 -5.105 1.00 10.00 C ATOM 530 CZ TYR A 51 3.614 -7.311 -3.808 1.00 10.00 C ATOM 531 OH TYR A 51 2.695 -8.299 -3.541 1.00 10.00 O ATOM 0 H TYR A 51 8.320 -2.547 -4.607 1.00 10.00 H new ATOM 0 HA TYR A 51 7.898 -4.998 -3.253 1.00 10.00 H new ATOM 0 HB2 TYR A 51 6.178 -3.309 -4.094 1.00 10.00 H new ATOM 0 HB3 TYR A 51 6.434 -3.966 -5.698 1.00 10.00 H new ATOM 0 HD1 TYR A 51 5.417 -4.949 -2.238 1.00 10.00 H new ATOM 0 HD2 TYR A 51 5.275 -5.923 -6.384 1.00 10.00 H new ATOM 0 HE1 TYR A 51 3.783 -6.718 -1.766 1.00 10.00 H new ATOM 0 HE2 TYR A 51 3.640 -7.695 -5.911 1.00 10.00 H new ATOM 0 HH TYR A 51 2.445 -8.747 -4.376 1.00 10.00 H new ATOM 541 N CYS A 52 9.013 -5.126 -6.338 1.00 10.00 N ATOM 542 CA CYS A 52 9.597 -6.002 -7.346 1.00 10.00 C ATOM 543 C CYS A 52 10.759 -6.786 -6.739 1.00 10.00 C ATOM 544 O CYS A 52 10.918 -7.984 -6.986 1.00 10.00 O ATOM 545 CB CYS A 52 10.077 -5.181 -8.545 1.00 10.00 C ATOM 546 SG CYS A 52 8.809 -4.108 -9.264 1.00 10.00 S ATOM 0 H CYS A 52 9.071 -4.132 -6.559 1.00 10.00 H new ATOM 0 HA CYS A 52 8.838 -6.705 -7.690 1.00 10.00 H new ATOM 0 HB2 CYS A 52 10.923 -4.568 -8.236 1.00 10.00 H new ATOM 0 HB3 CYS A 52 10.441 -5.861 -9.315 1.00 10.00 H new ATOM 0 HG CYS A 52 8.360 -3.297 -8.353 1.00 10.00 H new ATOM 552 N GLN A 53 11.547 -6.101 -5.914 1.00 10.00 N ATOM 553 CA GLN A 53 12.688 -6.712 -5.244 1.00 10.00 C ATOM 554 C GLN A 53 12.221 -7.763 -4.244 1.00 10.00 C ATOM 555 O GLN A 53 12.901 -8.763 -4.010 1.00 10.00 O ATOM 556 CB GLN A 53 13.512 -5.647 -4.519 1.00 10.00 C ATOM 557 CG GLN A 53 14.093 -4.591 -5.441 1.00 10.00 C ATOM 558 CD GLN A 53 14.772 -3.463 -4.691 1.00 10.00 C ATOM 559 OE1 GLN A 53 14.344 -3.074 -3.602 1.00 10.00 O ATOM 560 NE2 GLN A 53 15.843 -2.942 -5.264 1.00 10.00 N ATOM 0 H GLN A 53 11.413 -5.114 -5.693 1.00 10.00 H new ATOM 0 HA GLN A 53 13.309 -7.192 -6.000 1.00 10.00 H new ATOM 0 HB2 GLN A 53 12.884 -5.160 -3.774 1.00 10.00 H new ATOM 0 HB3 GLN A 53 14.325 -6.134 -3.981 1.00 10.00 H new ATOM 0 HG2 GLN A 53 14.813 -5.059 -6.113 1.00 10.00 H new ATOM 0 HG3 GLN A 53 13.297 -4.180 -6.062 1.00 10.00 H new ATOM 0 HE21 GLN A 53 16.162 -3.295 -6.166 1.00 10.00 H new ATOM 0 HE22 GLN A 53 16.351 -2.187 -4.804 1.00 10.00 H new ATOM 569 N ARG A 54 11.052 -7.527 -3.663 1.00 10.00 N ATOM 570 CA ARG A 54 10.477 -8.438 -2.683 1.00 10.00 C ATOM 571 C ARG A 54 10.061 -9.749 -3.339 1.00 10.00 C ATOM 572 O ARG A 54 10.252 -10.826 -2.777 1.00 10.00 O ATOM 573 CB ARG A 54 9.261 -7.793 -2.012 1.00 10.00 C ATOM 574 CG ARG A 54 8.811 -8.504 -0.748 1.00 10.00 C ATOM 575 CD ARG A 54 9.817 -8.313 0.371 1.00 10.00 C ATOM 576 NE ARG A 54 9.294 -8.736 1.667 1.00 10.00 N ATOM 577 CZ ARG A 54 9.871 -8.444 2.829 1.00 10.00 C ATOM 578 NH1 ARG A 54 10.976 -7.706 2.859 1.00 10.00 N ATOM 579 NH2 ARG A 54 9.342 -8.887 3.959 1.00 10.00 N ATOM 0 H ARG A 54 10.480 -6.705 -3.856 1.00 10.00 H new ATOM 0 HA ARG A 54 11.237 -8.649 -1.931 1.00 10.00 H new ATOM 0 HB2 ARG A 54 9.498 -6.757 -1.770 1.00 10.00 H new ATOM 0 HB3 ARG A 54 8.434 -7.774 -2.721 1.00 10.00 H new ATOM 0 HG2 ARG A 54 7.839 -8.121 -0.437 1.00 10.00 H new ATOM 0 HG3 ARG A 54 8.684 -9.568 -0.950 1.00 10.00 H new ATOM 0 HD2 ARG A 54 10.720 -8.879 0.144 1.00 10.00 H new ATOM 0 HD3 ARG A 54 10.104 -7.263 0.423 1.00 10.00 H new ATOM 0 HE ARG A 54 8.436 -9.288 1.682 1.00 10.00 H new ATOM 0 HH11 ARG A 54 11.383 -7.362 1.989 1.00 10.00 H new ATOM 0 HH12 ARG A 54 11.417 -7.483 3.752 1.00 10.00 H new ATOM 0 HH21 ARG A 54 8.493 -9.452 3.938 1.00 10.00 H new ATOM 0 HH22 ARG A 54 9.784 -8.664 4.851 1.00 10.00 H new ATOM 593 N GLN A 55 9.503 -9.650 -4.536 1.00 10.00 N ATOM 594 CA GLN A 55 9.049 -10.830 -5.257 1.00 10.00 C ATOM 595 C GLN A 55 10.182 -11.468 -6.053 1.00 10.00 C ATOM 596 O GLN A 55 10.082 -12.621 -6.467 1.00 10.00 O ATOM 597 CB GLN A 55 7.880 -10.475 -6.179 1.00 10.00 C ATOM 598 CG GLN A 55 6.665 -9.937 -5.439 1.00 10.00 C ATOM 599 CD GLN A 55 6.266 -10.801 -4.256 1.00 10.00 C ATOM 600 OE1 GLN A 55 6.734 -10.599 -3.138 1.00 10.00 O ATOM 601 NE2 GLN A 55 5.398 -11.769 -4.491 1.00 10.00 N ATOM 0 H GLN A 55 9.354 -8.769 -5.027 1.00 10.00 H new ATOM 0 HA GLN A 55 8.709 -11.559 -4.522 1.00 10.00 H new ATOM 0 HB2 GLN A 55 8.212 -9.732 -6.904 1.00 10.00 H new ATOM 0 HB3 GLN A 55 7.589 -11.362 -6.742 1.00 10.00 H new ATOM 0 HG2 GLN A 55 6.876 -8.926 -5.090 1.00 10.00 H new ATOM 0 HG3 GLN A 55 5.826 -9.866 -6.131 1.00 10.00 H new ATOM 0 HE21 GLN A 55 5.031 -11.907 -5.432 1.00 10.00 H new ATOM 0 HE22 GLN A 55 5.095 -12.378 -3.731 1.00 10.00 H new ATOM 610 N GLY A 56 11.255 -10.721 -6.260 1.00 10.00 N ATOM 611 CA GLY A 56 12.389 -11.239 -6.999 1.00 10.00 C ATOM 612 C GLY A 56 12.199 -11.131 -8.499 1.00 10.00 C ATOM 613 O GLY A 56 12.591 -12.024 -9.252 1.00 10.00 O ATOM 0 H GLY A 56 11.362 -9.762 -5.929 1.00 10.00 H new ATOM 0 HA2 GLY A 56 13.288 -10.694 -6.709 1.00 10.00 H new ATOM 0 HA3 GLY A 56 12.548 -12.283 -6.730 1.00 10.00 H new ATOM 617 N VAL A 57 11.592 -10.036 -8.930 1.00 10.00 N ATOM 618 CA VAL A 57 11.338 -9.799 -10.344 1.00 10.00 C ATOM 619 C VAL A 57 11.737 -8.376 -10.720 1.00 10.00 C ATOM 620 O VAL A 57 11.789 -7.500 -9.858 1.00 10.00 O ATOM 621 CB VAL A 57 9.848 -10.017 -10.700 1.00 10.00 C ATOM 622 CG1 VAL A 57 9.501 -11.498 -10.691 1.00 10.00 C ATOM 623 CG2 VAL A 57 8.945 -9.250 -9.744 1.00 10.00 C ATOM 0 H VAL A 57 11.263 -9.291 -8.315 1.00 10.00 H new ATOM 0 HA VAL A 57 11.937 -10.515 -10.906 1.00 10.00 H new ATOM 0 HB VAL A 57 9.683 -9.634 -11.707 1.00 10.00 H new ATOM 0 HG11 VAL A 57 8.449 -11.627 -10.944 1.00 10.00 H new ATOM 0 HG12 VAL A 57 10.117 -12.020 -11.423 1.00 10.00 H new ATOM 0 HG13 VAL A 57 9.689 -11.910 -9.699 1.00 10.00 H new ATOM 0 HG21 VAL A 57 7.903 -9.419 -10.014 1.00 10.00 H new ATOM 0 HG22 VAL A 57 9.116 -9.596 -8.725 1.00 10.00 H new ATOM 0 HG23 VAL A 57 9.169 -8.185 -9.808 1.00 10.00 H new ATOM 633 N PRO A 58 12.052 -8.132 -12.001 1.00 10.00 N ATOM 634 CA PRO A 58 12.428 -6.797 -12.473 1.00 10.00 C ATOM 635 C PRO A 58 11.233 -5.848 -12.467 1.00 10.00 C ATOM 636 O PRO A 58 10.093 -6.282 -12.319 1.00 10.00 O ATOM 637 CB PRO A 58 12.912 -7.046 -13.905 1.00 10.00 C ATOM 638 CG PRO A 58 12.227 -8.297 -14.328 1.00 10.00 C ATOM 639 CD PRO A 58 12.079 -9.131 -13.086 1.00 10.00 C ATOM 0 HA PRO A 58 13.181 -6.327 -11.840 1.00 10.00 H new ATOM 0 HB2 PRO A 58 12.654 -6.214 -14.560 1.00 10.00 H new ATOM 0 HB3 PRO A 58 13.996 -7.157 -13.942 1.00 10.00 H new ATOM 0 HG2 PRO A 58 11.254 -8.079 -14.769 1.00 10.00 H new ATOM 0 HG3 PRO A 58 12.809 -8.824 -15.084 1.00 10.00 H new ATOM 0 HD2 PRO A 58 11.165 -9.725 -13.108 1.00 10.00 H new ATOM 0 HD3 PRO A 58 12.909 -9.828 -12.969 1.00 10.00 H new ATOM 647 N MET A 59 11.485 -4.559 -12.629 1.00 10.00 N ATOM 648 CA MET A 59 10.412 -3.577 -12.637 1.00 10.00 C ATOM 649 C MET A 59 9.631 -3.646 -13.948 1.00 10.00 C ATOM 650 O MET A 59 10.087 -4.251 -14.918 1.00 10.00 O ATOM 651 CB MET A 59 10.971 -2.167 -12.425 1.00 10.00 C ATOM 652 CG MET A 59 9.975 -1.213 -11.788 1.00 10.00 C ATOM 653 SD MET A 59 10.596 0.475 -11.677 1.00 10.00 S ATOM 654 CE MET A 59 9.290 1.246 -10.725 1.00 10.00 C ATOM 0 H MET A 59 12.419 -4.169 -12.756 1.00 10.00 H new ATOM 0 HA MET A 59 9.733 -3.807 -11.816 1.00 10.00 H new ATOM 0 HB2 MET A 59 11.859 -2.227 -11.796 1.00 10.00 H new ATOM 0 HB3 MET A 59 11.288 -1.761 -13.386 1.00 10.00 H new ATOM 0 HG2 MET A 59 9.052 -1.218 -12.368 1.00 10.00 H new ATOM 0 HG3 MET A 59 9.725 -1.570 -10.789 1.00 10.00 H new ATOM 0 HE1 MET A 59 9.691 2.104 -10.185 1.00 10.00 H new ATOM 0 HE2 MET A 59 8.498 1.578 -11.396 1.00 10.00 H new ATOM 0 HE3 MET A 59 8.885 0.526 -10.014 1.00 10.00 H new ATOM 664 N ASN A 60 8.436 -3.050 -13.941 1.00 10.00 N ATOM 665 CA ASN A 60 7.548 -3.006 -15.112 1.00 10.00 C ATOM 666 C ASN A 60 6.880 -4.358 -15.355 1.00 10.00 C ATOM 667 O ASN A 60 6.103 -4.519 -16.295 1.00 10.00 O ATOM 668 CB ASN A 60 8.299 -2.542 -16.371 1.00 10.00 C ATOM 669 CG ASN A 60 7.400 -1.815 -17.360 1.00 10.00 C ATOM 670 OD1 ASN A 60 7.185 -0.606 -17.245 1.00 10.00 O ATOM 671 ND2 ASN A 60 6.881 -2.534 -18.343 1.00 10.00 N ATOM 0 H ASN A 60 8.053 -2.581 -13.120 1.00 10.00 H new ATOM 0 HA ASN A 60 6.768 -2.276 -14.896 1.00 10.00 H new ATOM 0 HB2 ASN A 60 9.117 -1.883 -16.079 1.00 10.00 H new ATOM 0 HB3 ASN A 60 8.746 -3.407 -16.861 1.00 10.00 H new ATOM 0 HD21 ASN A 60 6.281 -2.090 -19.038 1.00 10.00 H new ATOM 0 HD22 ASN A 60 7.081 -3.532 -18.406 1.00 10.00 H new ATOM 678 N SER A 61 7.174 -5.332 -14.505 1.00 10.00 N ATOM 679 CA SER A 61 6.581 -6.649 -14.642 1.00 10.00 C ATOM 680 C SER A 61 5.238 -6.694 -13.924 1.00 10.00 C ATOM 681 O SER A 61 4.239 -7.163 -14.471 1.00 10.00 O ATOM 682 CB SER A 61 7.522 -7.716 -14.081 1.00 10.00 C ATOM 683 OG SER A 61 7.832 -7.457 -12.722 1.00 10.00 O ATOM 0 H SER A 61 7.816 -5.233 -13.719 1.00 10.00 H new ATOM 0 HA SER A 61 6.419 -6.854 -15.700 1.00 10.00 H new ATOM 0 HB2 SER A 61 7.058 -8.698 -14.171 1.00 10.00 H new ATOM 0 HB3 SER A 61 8.440 -7.742 -14.668 1.00 10.00 H new ATOM 0 HG SER A 61 8.787 -7.254 -12.637 1.00 10.00 H new ATOM 689 N LEU A 62 5.223 -6.187 -12.700 1.00 10.00 N ATOM 690 CA LEU A 62 4.017 -6.167 -11.895 1.00 10.00 C ATOM 691 C LEU A 62 3.355 -4.797 -11.944 1.00 10.00 C ATOM 692 O LEU A 62 4.006 -3.767 -11.758 1.00 10.00 O ATOM 693 CB LEU A 62 4.339 -6.538 -10.444 1.00 10.00 C ATOM 694 CG LEU A 62 4.962 -7.920 -10.241 1.00 10.00 C ATOM 695 CD1 LEU A 62 5.326 -8.127 -8.781 1.00 10.00 C ATOM 696 CD2 LEU A 62 4.012 -9.009 -10.709 1.00 10.00 C ATOM 0 H LEU A 62 6.040 -5.782 -12.243 1.00 10.00 H new ATOM 0 HA LEU A 62 3.324 -6.902 -12.306 1.00 10.00 H new ATOM 0 HB2 LEU A 62 5.019 -5.789 -10.038 1.00 10.00 H new ATOM 0 HB3 LEU A 62 3.420 -6.484 -9.861 1.00 10.00 H new ATOM 0 HG LEU A 62 5.872 -7.978 -10.838 1.00 10.00 H new ATOM 0 HD11 LEU A 62 5.768 -9.115 -8.653 1.00 10.00 H new ATOM 0 HD12 LEU A 62 6.043 -7.366 -8.473 1.00 10.00 H new ATOM 0 HD13 LEU A 62 4.428 -8.049 -8.168 1.00 10.00 H new ATOM 0 HD21 LEU A 62 4.473 -9.985 -10.556 1.00 10.00 H new ATOM 0 HD22 LEU A 62 3.085 -8.953 -10.139 1.00 10.00 H new ATOM 0 HD23 LEU A 62 3.795 -8.872 -11.768 1.00 10.00 H new ATOM 708 N ARG A 63 2.061 -4.797 -12.202 1.00 10.00 N ATOM 709 CA ARG A 63 1.290 -3.574 -12.263 1.00 10.00 C ATOM 710 C ARG A 63 0.343 -3.501 -11.071 1.00 10.00 C ATOM 711 O ARG A 63 -0.385 -4.453 -10.780 1.00 10.00 O ATOM 712 CB ARG A 63 0.503 -3.481 -13.580 1.00 10.00 C ATOM 713 CG ARG A 63 -0.545 -4.573 -13.764 1.00 10.00 C ATOM 714 CD ARG A 63 -1.364 -4.352 -15.027 1.00 10.00 C ATOM 715 NE ARG A 63 -2.458 -5.317 -15.154 1.00 10.00 N ATOM 716 CZ ARG A 63 -2.759 -5.966 -16.282 1.00 10.00 C ATOM 717 NH1 ARG A 63 -2.044 -5.772 -17.387 1.00 10.00 N ATOM 718 NH2 ARG A 63 -3.779 -6.815 -16.304 1.00 10.00 N ATOM 0 H ARG A 63 1.518 -5.643 -12.374 1.00 10.00 H new ATOM 0 HA ARG A 63 1.978 -2.730 -12.226 1.00 10.00 H new ATOM 0 HB2 ARG A 63 0.011 -2.510 -13.627 1.00 10.00 H new ATOM 0 HB3 ARG A 63 1.205 -3.524 -14.413 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -0.054 -5.545 -13.813 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -1.207 -4.593 -12.898 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -1.772 -3.341 -15.021 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -0.713 -4.427 -15.898 1.00 10.00 H new ATOM 0 HE ARG A 63 -3.026 -5.506 -14.328 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -1.257 -5.123 -17.378 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -2.282 -6.273 -18.243 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -4.331 -6.971 -15.461 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -4.011 -7.312 -17.164 1.00 10.00 H new ATOM 732 N PHE A 64 0.380 -2.384 -10.367 1.00 10.00 N ATOM 733 CA PHE A 64 -0.478 -2.187 -9.211 1.00 10.00 C ATOM 734 C PHE A 64 -1.803 -1.587 -9.646 1.00 10.00 C ATOM 735 O PHE A 64 -1.829 -0.602 -10.384 1.00 10.00 O ATOM 736 CB PHE A 64 0.199 -1.273 -8.190 1.00 10.00 C ATOM 737 CG PHE A 64 1.208 -1.974 -7.327 1.00 10.00 C ATOM 738 CD1 PHE A 64 2.553 -1.957 -7.655 1.00 10.00 C ATOM 739 CD2 PHE A 64 0.809 -2.648 -6.183 1.00 10.00 C ATOM 740 CE1 PHE A 64 3.481 -2.599 -6.859 1.00 10.00 C ATOM 741 CE2 PHE A 64 1.732 -3.292 -5.384 1.00 10.00 C ATOM 742 CZ PHE A 64 3.069 -3.265 -5.722 1.00 10.00 C ATOM 0 H PHE A 64 0.996 -1.598 -10.575 1.00 10.00 H new ATOM 0 HA PHE A 64 -0.659 -3.155 -8.744 1.00 10.00 H new ATOM 0 HB2 PHE A 64 0.691 -0.456 -8.717 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -0.564 -0.827 -7.552 1.00 10.00 H new ATOM 0 HD1 PHE A 64 2.880 -1.436 -8.543 1.00 10.00 H new ATOM 0 HD2 PHE A 64 -0.237 -2.669 -5.914 1.00 10.00 H new ATOM 0 HE1 PHE A 64 4.527 -2.580 -7.125 1.00 10.00 H new ATOM 0 HE2 PHE A 64 1.408 -3.816 -4.497 1.00 10.00 H new ATOM 0 HZ PHE A 64 3.794 -3.765 -5.097 1.00 10.00 H new ATOM 752 N LEU A 65 -2.892 -2.185 -9.197 1.00 10.00 N ATOM 753 CA LEU A 65 -4.219 -1.713 -9.549 1.00 10.00 C ATOM 754 C LEU A 65 -4.937 -1.179 -8.316 1.00 10.00 C ATOM 755 O LEU A 65 -5.043 -1.863 -7.295 1.00 10.00 O ATOM 756 CB LEU A 65 -5.024 -2.840 -10.201 1.00 10.00 C ATOM 757 CG LEU A 65 -4.399 -3.431 -11.469 1.00 10.00 C ATOM 758 CD1 LEU A 65 -5.140 -4.683 -11.902 1.00 10.00 C ATOM 759 CD2 LEU A 65 -4.391 -2.405 -12.591 1.00 10.00 C ATOM 0 H LEU A 65 -2.883 -3.001 -8.586 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.124 -0.898 -10.267 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -5.157 -3.640 -9.473 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -6.017 -2.463 -10.445 1.00 10.00 H new ATOM 0 HG LEU A 65 -3.368 -3.704 -11.243 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -4.679 -5.085 -12.804 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -5.092 -5.427 -11.107 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -6.182 -4.437 -12.106 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -3.943 -2.844 -13.482 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -5.414 -2.099 -12.812 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -3.810 -1.535 -12.284 1.00 10.00 H new ATOM 771 N PHE A 66 -5.413 0.051 -8.419 1.00 10.00 N ATOM 772 CA PHE A 66 -6.111 0.704 -7.326 1.00 10.00 C ATOM 773 C PHE A 66 -7.357 1.408 -7.852 1.00 10.00 C ATOM 774 O PHE A 66 -7.261 2.305 -8.692 1.00 10.00 O ATOM 775 CB PHE A 66 -5.174 1.707 -6.648 1.00 10.00 C ATOM 776 CG PHE A 66 -5.772 2.410 -5.462 1.00 10.00 C ATOM 777 CD1 PHE A 66 -5.857 1.779 -4.232 1.00 10.00 C ATOM 778 CD2 PHE A 66 -6.248 3.707 -5.578 1.00 10.00 C ATOM 779 CE1 PHE A 66 -6.397 2.430 -3.140 1.00 10.00 C ATOM 780 CE2 PHE A 66 -6.790 4.361 -4.489 1.00 10.00 C ATOM 781 CZ PHE A 66 -6.868 3.721 -3.270 1.00 10.00 C ATOM 0 H PHE A 66 -5.327 0.622 -9.260 1.00 10.00 H new ATOM 0 HA PHE A 66 -6.419 -0.042 -6.594 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -4.272 1.185 -6.329 1.00 10.00 H new ATOM 0 HB3 PHE A 66 -4.868 2.453 -7.381 1.00 10.00 H new ATOM 0 HD1 PHE A 66 -5.497 0.766 -4.125 1.00 10.00 H new ATOM 0 HD2 PHE A 66 -6.194 4.212 -6.531 1.00 10.00 H new ATOM 0 HE1 PHE A 66 -6.451 1.929 -2.185 1.00 10.00 H new ATOM 0 HE2 PHE A 66 -7.153 5.373 -4.592 1.00 10.00 H new ATOM 0 HZ PHE A 66 -7.297 4.229 -2.419 1.00 10.00 H new ATOM 791 N GLU A 67 -8.522 0.965 -7.380 1.00 10.00 N ATOM 792 CA GLU A 67 -9.811 1.536 -7.783 1.00 10.00 C ATOM 793 C GLU A 67 -10.071 1.349 -9.276 1.00 10.00 C ATOM 794 O GLU A 67 -10.922 2.027 -9.856 1.00 10.00 O ATOM 795 CB GLU A 67 -9.887 3.024 -7.419 1.00 10.00 C ATOM 796 CG GLU A 67 -10.258 3.279 -5.967 1.00 10.00 C ATOM 797 CD GLU A 67 -11.602 2.687 -5.603 1.00 10.00 C ATOM 798 OE1 GLU A 67 -11.635 1.616 -4.961 1.00 10.00 O ATOM 799 OE2 GLU A 67 -12.639 3.283 -5.966 1.00 10.00 O ATOM 0 H GLU A 67 -8.601 0.201 -6.708 1.00 10.00 H new ATOM 0 HA GLU A 67 -10.585 0.998 -7.236 1.00 10.00 H new ATOM 0 HB2 GLU A 67 -8.923 3.489 -7.626 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -10.620 3.510 -8.063 1.00 10.00 H new ATOM 0 HG2 GLU A 67 -9.490 2.856 -5.319 1.00 10.00 H new ATOM 0 HG3 GLU A 67 -10.275 4.353 -5.782 1.00 10.00 H new ATOM 806 N GLY A 68 -9.352 0.420 -9.893 1.00 10.00 N ATOM 807 CA GLY A 68 -9.530 0.169 -11.309 1.00 10.00 C ATOM 808 C GLY A 68 -8.428 0.773 -12.159 1.00 10.00 C ATOM 809 O GLY A 68 -8.230 0.376 -13.309 1.00 10.00 O ATOM 0 H GLY A 68 -8.650 -0.163 -9.438 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -9.566 -0.907 -11.480 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -10.491 0.574 -11.627 1.00 10.00 H new ATOM 813 N GLN A 69 -7.703 1.731 -11.599 1.00 10.00 N ATOM 814 CA GLN A 69 -6.624 2.386 -12.324 1.00 10.00 C ATOM 815 C GLN A 69 -5.280 1.779 -11.949 1.00 10.00 C ATOM 816 O GLN A 69 -5.136 1.177 -10.886 1.00 10.00 O ATOM 817 CB GLN A 69 -6.617 3.889 -12.039 1.00 10.00 C ATOM 818 CG GLN A 69 -7.857 4.607 -12.546 1.00 10.00 C ATOM 819 CD GLN A 69 -7.610 6.077 -12.821 1.00 10.00 C ATOM 820 OE1 GLN A 69 -6.781 6.717 -12.174 1.00 10.00 O ATOM 821 NE2 GLN A 69 -8.332 6.624 -13.786 1.00 10.00 N ATOM 0 H GLN A 69 -7.842 2.071 -10.647 1.00 10.00 H new ATOM 0 HA GLN A 69 -6.792 2.233 -13.390 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -6.529 4.047 -10.964 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -5.735 4.334 -12.499 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -8.204 4.124 -13.460 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -8.655 4.508 -11.810 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -9.009 6.059 -14.299 1.00 10.00 H new ATOM 0 HE22 GLN A 69 -8.211 7.610 -14.017 1.00 10.00 H new ATOM 830 N ARG A 70 -4.300 1.939 -12.822 1.00 10.00 N ATOM 831 CA ARG A 70 -2.970 1.402 -12.572 1.00 10.00 C ATOM 832 C ARG A 70 -2.068 2.478 -11.978 1.00 10.00 C ATOM 833 O ARG A 70 -2.003 3.597 -12.484 1.00 10.00 O ATOM 834 CB ARG A 70 -2.359 0.824 -13.853 1.00 10.00 C ATOM 835 CG ARG A 70 -2.721 1.586 -15.118 1.00 10.00 C ATOM 836 CD ARG A 70 -2.383 0.787 -16.367 1.00 10.00 C ATOM 837 NE ARG A 70 -0.940 0.695 -16.589 1.00 10.00 N ATOM 838 CZ ARG A 70 -0.318 -0.397 -17.038 1.00 10.00 C ATOM 839 NH1 ARG A 70 -1.010 -1.505 -17.298 1.00 10.00 N ATOM 840 NH2 ARG A 70 0.997 -0.385 -17.233 1.00 10.00 N ATOM 0 H ARG A 70 -4.398 2.435 -13.708 1.00 10.00 H new ATOM 0 HA ARG A 70 -3.060 0.589 -11.852 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -1.274 0.809 -13.750 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -2.683 -0.211 -13.961 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -3.786 1.819 -15.111 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -2.187 2.536 -15.137 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -2.800 -0.216 -16.279 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -2.853 1.253 -17.233 1.00 10.00 H new ATOM 0 HE ARG A 70 -0.373 1.518 -16.388 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -2.020 -1.521 -17.154 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -0.530 -2.337 -17.641 1.00 10.00 H new ATOM 0 HH21 ARG A 70 1.534 0.461 -17.039 1.00 10.00 H new ATOM 0 HH22 ARG A 70 1.469 -1.221 -17.576 1.00 10.00 H new ATOM 854 N ILE A 71 -1.388 2.123 -10.898 1.00 10.00 N ATOM 855 CA ILE A 71 -0.494 3.042 -10.203 1.00 10.00 C ATOM 856 C ILE A 71 0.716 3.404 -11.061 1.00 10.00 C ATOM 857 O ILE A 71 1.497 2.535 -11.466 1.00 10.00 O ATOM 858 CB ILE A 71 -0.008 2.444 -8.864 1.00 10.00 C ATOM 859 CG1 ILE A 71 -1.199 2.142 -7.946 1.00 10.00 C ATOM 860 CG2 ILE A 71 0.972 3.382 -8.174 1.00 10.00 C ATOM 861 CD1 ILE A 71 -2.011 3.367 -7.574 1.00 10.00 C ATOM 0 H ILE A 71 -1.439 1.194 -10.479 1.00 10.00 H new ATOM 0 HA ILE A 71 -1.067 3.947 -10.004 1.00 10.00 H new ATOM 0 HB ILE A 71 0.510 1.509 -9.079 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -1.851 1.421 -8.438 1.00 10.00 H new ATOM 0 HG13 ILE A 71 -0.833 1.670 -7.034 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.299 2.939 -7.234 1.00 10.00 H new ATOM 0 HG22 ILE A 71 1.836 3.544 -8.819 1.00 10.00 H new ATOM 0 HG23 ILE A 71 0.484 4.336 -7.975 1.00 10.00 H new ATOM 0 HD11 ILE A 71 -2.835 3.074 -6.924 1.00 10.00 H new ATOM 0 HD12 ILE A 71 -1.374 4.081 -7.052 1.00 10.00 H new ATOM 0 HD13 ILE A 71 -2.409 3.828 -8.478 1.00 10.00 H new ATOM 873 N ALA A 72 0.867 4.694 -11.319 1.00 10.00 N ATOM 874 CA ALA A 72 1.968 5.203 -12.115 1.00 10.00 C ATOM 875 C ALA A 72 3.178 5.487 -11.235 1.00 10.00 C ATOM 876 O ALA A 72 3.077 5.491 -10.008 1.00 10.00 O ATOM 877 CB ALA A 72 1.537 6.466 -12.846 1.00 10.00 C ATOM 0 H ALA A 72 0.229 5.415 -10.982 1.00 10.00 H new ATOM 0 HA ALA A 72 2.249 4.447 -12.848 1.00 10.00 H new ATOM 0 HB1 ALA A 72 2.368 6.843 -13.442 1.00 10.00 H new ATOM 0 HB2 ALA A 72 0.695 6.238 -13.500 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.238 7.222 -12.120 1.00 10.00 H new ATOM 883 N ASP A 73 4.322 5.726 -11.859 1.00 10.00 N ATOM 884 CA ASP A 73 5.548 6.016 -11.121 1.00 10.00 C ATOM 885 C ASP A 73 5.520 7.438 -10.580 1.00 10.00 C ATOM 886 O ASP A 73 6.255 7.783 -9.660 1.00 10.00 O ATOM 887 CB ASP A 73 6.773 5.823 -12.018 1.00 10.00 C ATOM 888 CG ASP A 73 7.303 4.404 -11.979 1.00 10.00 C ATOM 889 OD1 ASP A 73 6.490 3.462 -12.100 1.00 10.00 O ATOM 890 OD2 ASP A 73 8.533 4.226 -11.836 1.00 10.00 O ATOM 0 H ASP A 73 4.430 5.725 -12.873 1.00 10.00 H new ATOM 0 HA ASP A 73 5.614 5.322 -10.283 1.00 10.00 H new ATOM 0 HB2 ASP A 73 6.512 6.082 -13.044 1.00 10.00 H new ATOM 0 HB3 ASP A 73 7.560 6.510 -11.706 1.00 10.00 H new ATOM 895 N ASN A 74 4.649 8.255 -11.155 1.00 10.00 N ATOM 896 CA ASN A 74 4.512 9.648 -10.743 1.00 10.00 C ATOM 897 C ASN A 74 3.369 9.812 -9.747 1.00 10.00 C ATOM 898 O ASN A 74 2.967 10.932 -9.435 1.00 10.00 O ATOM 899 CB ASN A 74 4.265 10.543 -11.964 1.00 10.00 C ATOM 900 CG ASN A 74 3.017 10.149 -12.739 1.00 10.00 C ATOM 901 OD1 ASN A 74 3.070 9.307 -13.638 1.00 10.00 O ATOM 902 ND2 ASN A 74 1.885 10.745 -12.396 1.00 10.00 N ATOM 0 H ASN A 74 4.024 7.977 -11.911 1.00 10.00 H new ATOM 0 HA ASN A 74 5.441 9.948 -10.259 1.00 10.00 H new ATOM 0 HB2 ASN A 74 4.173 11.579 -11.637 1.00 10.00 H new ATOM 0 HB3 ASN A 74 5.129 10.494 -12.626 1.00 10.00 H new ATOM 0 HD21 ASN A 74 1.019 10.512 -12.881 1.00 10.00 H new ATOM 0 HD22 ASN A 74 1.880 11.437 -11.647 1.00 10.00 H new ATOM 909 N HIS A 75 2.860 8.696 -9.245 1.00 10.00 N ATOM 910 CA HIS A 75 1.753 8.723 -8.299 1.00 10.00 C ATOM 911 C HIS A 75 2.248 8.797 -6.860 1.00 10.00 C ATOM 912 O HIS A 75 3.302 8.254 -6.517 1.00 10.00 O ATOM 913 CB HIS A 75 0.872 7.482 -8.476 1.00 10.00 C ATOM 914 CG HIS A 75 -0.303 7.692 -9.379 1.00 10.00 C ATOM 915 ND1 HIS A 75 -0.778 6.686 -10.185 1.00 10.00 N ATOM 916 CD2 HIS A 75 -1.069 8.793 -9.550 1.00 10.00 C ATOM 917 CE1 HIS A 75 -1.822 7.192 -10.819 1.00 10.00 C ATOM 918 NE2 HIS A 75 -2.035 8.467 -10.466 1.00 10.00 N ATOM 0 H HIS A 75 3.195 7.761 -9.477 1.00 10.00 H new ATOM 0 HA HIS A 75 1.167 9.619 -8.505 1.00 10.00 H new ATOM 0 HB2 HIS A 75 1.482 6.670 -8.873 1.00 10.00 H new ATOM 0 HB3 HIS A 75 0.513 7.162 -7.498 1.00 10.00 H new ATOM 0 HD2 HIS A 75 -0.944 9.747 -9.059 1.00 10.00 H new ATOM 0 HE1 HIS A 75 -2.426 6.648 -11.530 1.00 10.00 H new ATOM 0 HE2 HIS A 75 -2.775 9.078 -10.813 1.00 10.00 H new ATOM 926 N THR A 76 1.491 9.497 -6.032 1.00 10.00 N ATOM 927 CA THR A 76 1.807 9.633 -4.622 1.00 10.00 C ATOM 928 C THR A 76 0.677 9.022 -3.793 1.00 10.00 C ATOM 929 O THR A 76 -0.454 8.940 -4.263 1.00 10.00 O ATOM 930 CB THR A 76 2.004 11.112 -4.224 1.00 10.00 C ATOM 931 OG1 THR A 76 0.879 11.890 -4.647 1.00 10.00 O ATOM 932 CG2 THR A 76 3.273 11.675 -4.842 1.00 10.00 C ATOM 0 H THR A 76 0.643 9.985 -6.318 1.00 10.00 H new ATOM 0 HA THR A 76 2.743 9.109 -4.428 1.00 10.00 H new ATOM 0 HB THR A 76 2.092 11.162 -3.139 1.00 10.00 H new ATOM 0 HG1 THR A 76 0.901 11.994 -5.621 1.00 10.00 H new ATOM 0 HG21 THR A 76 3.390 12.718 -4.547 1.00 10.00 H new ATOM 0 HG22 THR A 76 4.132 11.101 -4.495 1.00 10.00 H new ATOM 0 HG23 THR A 76 3.208 11.610 -5.928 1.00 10.00 H new ATOM 940 N PRO A 77 0.956 8.583 -2.553 1.00 10.00 N ATOM 941 CA PRO A 77 -0.059 7.970 -1.685 1.00 10.00 C ATOM 942 C PRO A 77 -1.115 8.969 -1.211 1.00 10.00 C ATOM 943 O PRO A 77 -2.110 8.593 -0.595 1.00 10.00 O ATOM 944 CB PRO A 77 0.748 7.444 -0.487 1.00 10.00 C ATOM 945 CG PRO A 77 2.179 7.522 -0.895 1.00 10.00 C ATOM 946 CD PRO A 77 2.270 8.632 -1.900 1.00 10.00 C ATOM 0 HA PRO A 77 -0.616 7.197 -2.214 1.00 10.00 H new ATOM 0 HB2 PRO A 77 0.562 8.044 0.403 1.00 10.00 H new ATOM 0 HB3 PRO A 77 0.466 6.419 -0.245 1.00 10.00 H new ATOM 0 HG2 PRO A 77 2.818 7.723 -0.035 1.00 10.00 H new ATOM 0 HG3 PRO A 77 2.512 6.578 -1.327 1.00 10.00 H new ATOM 0 HD2 PRO A 77 2.450 9.596 -1.424 1.00 10.00 H new ATOM 0 HD3 PRO A 77 3.081 8.470 -2.610 1.00 10.00 H new ATOM 954 N LYS A 78 -0.895 10.244 -1.504 1.00 10.00 N ATOM 955 CA LYS A 78 -1.824 11.285 -1.096 1.00 10.00 C ATOM 956 C LYS A 78 -2.940 11.464 -2.123 1.00 10.00 C ATOM 957 O LYS A 78 -4.078 11.772 -1.768 1.00 10.00 O ATOM 958 CB LYS A 78 -1.078 12.605 -0.870 1.00 10.00 C ATOM 959 CG LYS A 78 -1.975 13.767 -0.454 1.00 10.00 C ATOM 960 CD LYS A 78 -2.885 13.403 0.714 1.00 10.00 C ATOM 961 CE LYS A 78 -2.108 13.200 2.002 1.00 10.00 C ATOM 962 NZ LYS A 78 -2.996 12.800 3.122 1.00 10.00 N ATOM 0 H LYS A 78 -0.083 10.580 -2.022 1.00 10.00 H new ATOM 0 HA LYS A 78 -2.284 10.979 -0.157 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -0.319 12.454 -0.102 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -0.554 12.875 -1.787 1.00 10.00 H new ATOM 0 HG2 LYS A 78 -1.356 14.621 -0.178 1.00 10.00 H new ATOM 0 HG3 LYS A 78 -2.584 14.076 -1.304 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -3.623 14.192 0.857 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -3.434 12.492 0.475 1.00 10.00 H new ATOM 0 HE2 LYS A 78 -1.346 12.435 1.851 1.00 10.00 H new ATOM 0 HE3 LYS A 78 -1.587 14.122 2.262 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 -2.430 12.671 3.985 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 -3.707 13.541 3.283 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 -3.474 11.907 2.884 1.00 10.00 H new ATOM 976 N GLU A 79 -2.624 11.267 -3.392 1.00 10.00 N ATOM 977 CA GLU A 79 -3.624 11.418 -4.436 1.00 10.00 C ATOM 978 C GLU A 79 -4.404 10.117 -4.604 1.00 10.00 C ATOM 979 O GLU A 79 -4.091 9.116 -3.952 1.00 10.00 O ATOM 980 CB GLU A 79 -2.980 11.858 -5.754 1.00 10.00 C ATOM 981 CG GLU A 79 -1.992 10.862 -6.337 1.00 10.00 C ATOM 982 CD GLU A 79 -1.087 11.491 -7.375 1.00 10.00 C ATOM 983 OE1 GLU A 79 -1.589 11.909 -8.440 1.00 10.00 O ATOM 984 OE2 GLU A 79 0.132 11.575 -7.125 1.00 10.00 O ATOM 0 H GLU A 79 -1.695 11.005 -3.722 1.00 10.00 H new ATOM 0 HA GLU A 79 -4.323 12.201 -4.141 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -3.767 12.040 -6.485 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -2.468 12.807 -5.594 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -1.385 10.444 -5.534 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -2.538 10.034 -6.788 1.00 10.00 H new ATOM 991 N LEU A 80 -5.428 10.149 -5.461 1.00 10.00 N ATOM 992 CA LEU A 80 -6.292 8.991 -5.730 1.00 10.00 C ATOM 993 C LEU A 80 -7.223 8.725 -4.547 1.00 10.00 C ATOM 994 O LEU A 80 -8.446 8.766 -4.690 1.00 10.00 O ATOM 995 CB LEU A 80 -5.471 7.738 -6.065 1.00 10.00 C ATOM 996 CG LEU A 80 -4.679 7.805 -7.373 1.00 10.00 C ATOM 997 CD1 LEU A 80 -3.716 6.632 -7.468 1.00 10.00 C ATOM 998 CD2 LEU A 80 -5.621 7.823 -8.571 1.00 10.00 C ATOM 0 H LEU A 80 -5.684 10.982 -5.991 1.00 10.00 H new ATOM 0 HA LEU A 80 -6.899 9.230 -6.603 1.00 10.00 H new ATOM 0 HB2 LEU A 80 -4.775 7.550 -5.247 1.00 10.00 H new ATOM 0 HB3 LEU A 80 -6.146 6.883 -6.112 1.00 10.00 H new ATOM 0 HG LEU A 80 -4.101 8.729 -7.380 1.00 10.00 H new ATOM 0 HD11 LEU A 80 -3.160 6.693 -8.403 1.00 10.00 H new ATOM 0 HD12 LEU A 80 -3.020 6.663 -6.629 1.00 10.00 H new ATOM 0 HD13 LEU A 80 -4.277 5.698 -7.440 1.00 10.00 H new ATOM 0 HD21 LEU A 80 -5.039 7.871 -9.491 1.00 10.00 H new ATOM 0 HD22 LEU A 80 -6.226 6.917 -8.571 1.00 10.00 H new ATOM 0 HD23 LEU A 80 -6.273 8.695 -8.508 1.00 10.00 H new ATOM 1010 N GLY A 81 -6.647 8.471 -3.380 1.00 10.00 N ATOM 1011 CA GLY A 81 -7.451 8.220 -2.199 1.00 10.00 C ATOM 1012 C GLY A 81 -7.007 6.995 -1.430 1.00 10.00 C ATOM 1013 O GLY A 81 -7.769 6.042 -1.278 1.00 10.00 O ATOM 0 H GLY A 81 -5.639 8.434 -3.229 1.00 10.00 H new ATOM 0 HA2 GLY A 81 -7.405 9.090 -1.544 1.00 10.00 H new ATOM 0 HA3 GLY A 81 -8.493 8.098 -2.495 1.00 10.00 H new ATOM 1017 N MET A 82 -5.775 7.018 -0.939 1.00 10.00 N ATOM 1018 CA MET A 82 -5.236 5.897 -0.175 1.00 10.00 C ATOM 1019 C MET A 82 -5.346 6.172 1.317 1.00 10.00 C ATOM 1020 O MET A 82 -5.020 7.269 1.778 1.00 10.00 O ATOM 1021 CB MET A 82 -3.776 5.633 -0.545 1.00 10.00 C ATOM 1022 CG MET A 82 -3.600 4.963 -1.896 1.00 10.00 C ATOM 1023 SD MET A 82 -1.901 4.440 -2.198 1.00 10.00 S ATOM 1024 CE MET A 82 -2.096 3.558 -3.744 1.00 10.00 C ATOM 0 H MET A 82 -5.129 7.799 -1.055 1.00 10.00 H new ATOM 0 HA MET A 82 -5.822 5.011 -0.421 1.00 10.00 H new ATOM 0 HB2 MET A 82 -3.234 6.579 -0.545 1.00 10.00 H new ATOM 0 HB3 MET A 82 -3.323 5.006 0.223 1.00 10.00 H new ATOM 0 HG2 MET A 82 -4.258 4.096 -1.956 1.00 10.00 H new ATOM 0 HG3 MET A 82 -3.909 5.653 -2.682 1.00 10.00 H new ATOM 0 HE1 MET A 82 -1.129 3.171 -4.066 1.00 10.00 H new ATOM 0 HE2 MET A 82 -2.791 2.730 -3.605 1.00 10.00 H new ATOM 0 HE3 MET A 82 -2.487 4.236 -4.503 1.00 10.00 H new ATOM 1034 N GLU A 83 -5.822 5.187 2.067 1.00 10.00 N ATOM 1035 CA GLU A 83 -5.968 5.333 3.508 1.00 10.00 C ATOM 1036 C GLU A 83 -5.399 4.126 4.252 1.00 10.00 C ATOM 1037 O GLU A 83 -4.838 3.211 3.648 1.00 10.00 O ATOM 1038 CB GLU A 83 -7.442 5.525 3.877 1.00 10.00 C ATOM 1039 CG GLU A 83 -7.759 6.910 4.420 1.00 10.00 C ATOM 1040 CD GLU A 83 -6.867 7.299 5.581 1.00 10.00 C ATOM 1041 OE1 GLU A 83 -6.665 6.468 6.488 1.00 10.00 O ATOM 1042 OE2 GLU A 83 -6.364 8.442 5.595 1.00 10.00 O ATOM 0 H GLU A 83 -6.113 4.280 1.702 1.00 10.00 H new ATOM 0 HA GLU A 83 -5.403 6.215 3.810 1.00 10.00 H new ATOM 0 HB2 GLU A 83 -8.056 5.341 2.995 1.00 10.00 H new ATOM 0 HB3 GLU A 83 -7.722 4.779 4.621 1.00 10.00 H new ATOM 0 HG2 GLU A 83 -7.649 7.643 3.621 1.00 10.00 H new ATOM 0 HG3 GLU A 83 -8.800 6.941 4.740 1.00 10.00 H new ATOM 1049 N GLU A 84 -5.545 4.143 5.569 1.00 10.00 N ATOM 1050 CA GLU A 84 -5.062 3.067 6.420 1.00 10.00 C ATOM 1051 C GLU A 84 -5.904 1.814 6.211 1.00 10.00 C ATOM 1052 O GLU A 84 -7.122 1.905 6.051 1.00 10.00 O ATOM 1053 CB GLU A 84 -5.120 3.508 7.885 1.00 10.00 C ATOM 1054 CG GLU A 84 -4.638 2.455 8.870 1.00 10.00 C ATOM 1055 CD GLU A 84 -3.184 2.094 8.674 1.00 10.00 C ATOM 1056 OE1 GLU A 84 -2.329 3.003 8.705 1.00 10.00 O ATOM 1057 OE2 GLU A 84 -2.883 0.894 8.509 1.00 10.00 O ATOM 0 H GLU A 84 -6.001 4.902 6.076 1.00 10.00 H new ATOM 0 HA GLU A 84 -4.029 2.837 6.157 1.00 10.00 H new ATOM 0 HB2 GLU A 84 -4.516 4.407 8.007 1.00 10.00 H new ATOM 0 HB3 GLU A 84 -6.147 3.778 8.132 1.00 10.00 H new ATOM 0 HG2 GLU A 84 -4.783 2.821 9.886 1.00 10.00 H new ATOM 0 HG3 GLU A 84 -5.248 1.558 8.764 1.00 10.00 H new ATOM 1064 N GLU A 85 -5.243 0.656 6.191 1.00 10.00 N ATOM 1065 CA GLU A 85 -5.919 -0.628 6.008 1.00 10.00 C ATOM 1066 C GLU A 85 -6.579 -0.714 4.636 1.00 10.00 C ATOM 1067 O GLU A 85 -7.564 -1.436 4.457 1.00 10.00 O ATOM 1068 CB GLU A 85 -6.967 -0.852 7.106 1.00 10.00 C ATOM 1069 CG GLU A 85 -6.381 -1.314 8.429 1.00 10.00 C ATOM 1070 CD GLU A 85 -5.999 -2.778 8.416 1.00 10.00 C ATOM 1071 OE1 GLU A 85 -4.899 -3.112 8.899 1.00 10.00 O ATOM 1072 OE2 GLU A 85 -6.803 -3.604 7.928 1.00 10.00 O ATOM 0 H GLU A 85 -4.232 0.582 6.300 1.00 10.00 H new ATOM 0 HA GLU A 85 -5.163 -1.410 6.076 1.00 10.00 H new ATOM 0 HB2 GLU A 85 -7.515 0.076 7.267 1.00 10.00 H new ATOM 0 HB3 GLU A 85 -7.689 -1.592 6.761 1.00 10.00 H new ATOM 0 HG2 GLU A 85 -5.501 -0.715 8.661 1.00 10.00 H new ATOM 0 HG3 GLU A 85 -7.105 -1.138 9.224 1.00 10.00 H new ATOM 1079 N ASP A 86 -6.028 0.007 3.668 1.00 10.00 N ATOM 1080 CA ASP A 86 -6.580 0.013 2.319 1.00 10.00 C ATOM 1081 C ASP A 86 -6.271 -1.287 1.586 1.00 10.00 C ATOM 1082 O ASP A 86 -5.487 -2.114 2.060 1.00 10.00 O ATOM 1083 CB ASP A 86 -6.045 1.195 1.518 1.00 10.00 C ATOM 1084 CG ASP A 86 -7.130 1.866 0.707 1.00 10.00 C ATOM 1085 OD1 ASP A 86 -7.739 1.194 -0.156 1.00 10.00 O ATOM 1086 OD2 ASP A 86 -7.397 3.060 0.949 1.00 10.00 O ATOM 0 H ASP A 86 -5.202 0.593 3.791 1.00 10.00 H new ATOM 0 HA ASP A 86 -7.662 0.108 2.413 1.00 10.00 H new ATOM 0 HB2 ASP A 86 -5.598 1.921 2.197 1.00 10.00 H new ATOM 0 HB3 ASP A 86 -5.253 0.853 0.852 1.00 10.00 H new ATOM 1091 N VAL A 87 -6.884 -1.451 0.424 1.00 10.00 N ATOM 1092 CA VAL A 87 -6.708 -2.651 -0.383 1.00 10.00 C ATOM 1093 C VAL A 87 -6.158 -2.303 -1.763 1.00 10.00 C ATOM 1094 O VAL A 87 -6.643 -1.381 -2.417 1.00 10.00 O ATOM 1095 CB VAL A 87 -8.046 -3.410 -0.552 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -7.850 -4.690 -1.350 1.00 10.00 C ATOM 1097 CG2 VAL A 87 -8.666 -3.712 0.804 1.00 10.00 C ATOM 0 H VAL A 87 -7.514 -0.761 0.015 1.00 10.00 H new ATOM 0 HA VAL A 87 -5.997 -3.290 0.140 1.00 10.00 H new ATOM 0 HB VAL A 87 -8.730 -2.768 -1.108 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -8.806 -5.204 -1.454 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -7.459 -4.447 -2.338 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -7.144 -5.338 -0.831 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -9.606 -4.246 0.664 1.00 10.00 H new ATOM 0 HG22 VAL A 87 -7.982 -4.328 1.388 1.00 10.00 H new ATOM 0 HG23 VAL A 87 -8.855 -2.778 1.334 1.00 10.00 H new ATOM 1107 N ILE A 88 -5.141 -3.029 -2.196 1.00 10.00 N ATOM 1108 CA ILE A 88 -4.549 -2.800 -3.503 1.00 10.00 C ATOM 1109 C ILE A 88 -4.232 -4.134 -4.179 1.00 10.00 C ATOM 1110 O ILE A 88 -3.813 -5.091 -3.520 1.00 10.00 O ATOM 1111 CB ILE A 88 -3.279 -1.916 -3.403 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -2.776 -1.535 -4.798 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -2.185 -2.617 -2.606 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -1.765 -0.407 -4.790 1.00 10.00 C ATOM 0 H ILE A 88 -4.708 -3.782 -1.661 1.00 10.00 H new ATOM 0 HA ILE A 88 -5.274 -2.261 -4.114 1.00 10.00 H new ATOM 0 HB ILE A 88 -3.545 -1.001 -2.873 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.327 -2.411 -5.265 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -3.626 -1.245 -5.415 1.00 10.00 H new ATOM 0 HG21 ILE A 88 -1.306 -1.975 -2.552 1.00 10.00 H new ATOM 0 HG22 ILE A 88 -2.545 -2.825 -1.599 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -1.920 -3.553 -3.097 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -1.453 -0.191 -5.812 1.00 10.00 H new ATOM 0 HD12 ILE A 88 -2.217 0.483 -4.352 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -0.897 -0.701 -4.200 1.00 10.00 H new ATOM 1126 N GLU A 89 -4.462 -4.205 -5.484 1.00 10.00 N ATOM 1127 CA GLU A 89 -4.212 -5.425 -6.240 1.00 10.00 C ATOM 1128 C GLU A 89 -2.926 -5.305 -7.045 1.00 10.00 C ATOM 1129 O GLU A 89 -2.484 -4.200 -7.365 1.00 10.00 O ATOM 1130 CB GLU A 89 -5.375 -5.718 -7.191 1.00 10.00 C ATOM 1131 CG GLU A 89 -6.731 -5.795 -6.510 1.00 10.00 C ATOM 1132 CD GLU A 89 -7.853 -6.055 -7.495 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -8.465 -7.142 -7.432 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -8.122 -5.177 -8.342 1.00 10.00 O ATOM 0 H GLU A 89 -4.822 -3.430 -6.042 1.00 10.00 H new ATOM 0 HA GLU A 89 -4.114 -6.244 -5.527 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -5.409 -4.942 -7.956 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -5.183 -6.662 -7.702 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -6.715 -6.588 -5.762 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -6.923 -4.862 -5.981 1.00 10.00 H new ATOM 1141 N VAL A 90 -2.331 -6.443 -7.370 1.00 10.00 N ATOM 1142 CA VAL A 90 -1.107 -6.469 -8.150 1.00 10.00 C ATOM 1143 C VAL A 90 -1.115 -7.663 -9.107 1.00 10.00 C ATOM 1144 O VAL A 90 -1.364 -8.800 -8.704 1.00 10.00 O ATOM 1145 CB VAL A 90 0.151 -6.509 -7.245 1.00 10.00 C ATOM 1146 CG1 VAL A 90 0.158 -7.742 -6.349 1.00 10.00 C ATOM 1147 CG2 VAL A 90 1.419 -6.444 -8.085 1.00 10.00 C ATOM 0 H VAL A 90 -2.680 -7.364 -7.103 1.00 10.00 H new ATOM 0 HA VAL A 90 -1.064 -5.547 -8.730 1.00 10.00 H new ATOM 0 HB VAL A 90 0.120 -5.633 -6.597 1.00 10.00 H new ATOM 0 HG11 VAL A 90 1.054 -7.736 -5.729 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -0.725 -7.733 -5.710 1.00 10.00 H new ATOM 0 HG13 VAL A 90 0.150 -8.640 -6.966 1.00 10.00 H new ATOM 0 HG21 VAL A 90 2.291 -6.473 -7.431 1.00 10.00 H new ATOM 0 HG22 VAL A 90 1.448 -7.294 -8.767 1.00 10.00 H new ATOM 0 HG23 VAL A 90 1.428 -5.518 -8.660 1.00 10.00 H new ATOM 1157 N TYR A 91 -0.881 -7.387 -10.380 1.00 10.00 N ATOM 1158 CA TYR A 91 -0.857 -8.427 -11.401 1.00 10.00 C ATOM 1159 C TYR A 91 0.316 -8.208 -12.339 1.00 10.00 C ATOM 1160 O TYR A 91 0.905 -7.135 -12.351 1.00 10.00 O ATOM 1161 CB TYR A 91 -2.165 -8.436 -12.195 1.00 10.00 C ATOM 1162 CG TYR A 91 -3.317 -9.073 -11.456 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -3.527 -10.445 -11.517 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -4.189 -8.309 -10.694 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -4.575 -11.036 -10.839 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -5.239 -8.892 -10.013 1.00 10.00 C ATOM 1167 CZ TYR A 91 -5.426 -10.257 -10.089 1.00 10.00 C ATOM 1168 OH TYR A 91 -6.469 -10.843 -9.412 1.00 10.00 O ATOM 0 H TYR A 91 -0.704 -6.447 -10.734 1.00 10.00 H new ATOM 0 HA TYR A 91 -0.745 -9.392 -10.907 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -2.431 -7.411 -12.452 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -2.007 -8.968 -13.133 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -2.860 -11.059 -12.104 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -4.044 -7.241 -10.633 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -4.726 -12.104 -10.897 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -5.910 -8.284 -9.425 1.00 10.00 H new ATOM 0 HH TYR A 91 -6.171 -11.693 -9.025 1.00 10.00 H new ATOM 1178 N GLN A 92 0.650 -9.215 -13.123 1.00 10.00 N ATOM 1179 CA GLN A 92 1.763 -9.107 -14.053 1.00 10.00 C ATOM 1180 C GLN A 92 1.278 -8.587 -15.403 1.00 10.00 C ATOM 1181 O GLN A 92 0.230 -9.007 -15.895 1.00 10.00 O ATOM 1182 CB GLN A 92 2.454 -10.462 -14.217 1.00 10.00 C ATOM 1183 CG GLN A 92 3.844 -10.367 -14.826 1.00 10.00 C ATOM 1184 CD GLN A 92 4.631 -11.654 -14.683 1.00 10.00 C ATOM 1185 OE1 GLN A 92 5.365 -11.846 -13.714 1.00 10.00 O ATOM 1186 NE2 GLN A 92 4.480 -12.549 -15.645 1.00 10.00 N ATOM 0 H GLN A 92 0.170 -10.115 -13.137 1.00 10.00 H new ATOM 0 HA GLN A 92 2.486 -8.398 -13.649 1.00 10.00 H new ATOM 0 HB2 GLN A 92 2.526 -10.944 -13.242 1.00 10.00 H new ATOM 0 HB3 GLN A 92 1.835 -11.103 -14.845 1.00 10.00 H new ATOM 0 HG2 GLN A 92 3.757 -10.114 -15.883 1.00 10.00 H new ATOM 0 HG3 GLN A 92 4.392 -9.555 -14.347 1.00 10.00 H new ATOM 0 HE21 GLN A 92 3.862 -12.352 -16.432 1.00 10.00 H new ATOM 0 HE22 GLN A 92 4.982 -13.436 -15.600 1.00 10.00 H new ATOM 1195 N GLU A 93 2.037 -7.662 -15.981 1.00 10.00 N ATOM 1196 CA GLU A 93 1.700 -7.076 -17.274 1.00 10.00 C ATOM 1197 C GLU A 93 1.820 -8.114 -18.384 1.00 10.00 C ATOM 1198 O GLU A 93 2.432 -9.168 -18.203 1.00 10.00 O ATOM 1199 CB GLU A 93 2.615 -5.885 -17.576 1.00 10.00 C ATOM 1200 CG GLU A 93 2.208 -4.603 -16.868 1.00 10.00 C ATOM 1201 CD GLU A 93 1.243 -3.763 -17.683 1.00 10.00 C ATOM 1202 OE1 GLU A 93 0.043 -4.111 -17.751 1.00 10.00 O ATOM 1203 OE2 GLU A 93 1.672 -2.739 -18.248 1.00 10.00 O ATOM 0 H GLU A 93 2.897 -7.299 -15.570 1.00 10.00 H new ATOM 0 HA GLU A 93 0.668 -6.729 -17.230 1.00 10.00 H new ATOM 0 HB2 GLU A 93 3.635 -6.140 -17.288 1.00 10.00 H new ATOM 0 HB3 GLU A 93 2.623 -5.708 -18.652 1.00 10.00 H new ATOM 0 HG2 GLU A 93 1.748 -4.852 -15.912 1.00 10.00 H new ATOM 0 HG3 GLU A 93 3.099 -4.015 -16.650 1.00 10.00 H new ATOM 1210 N GLN A 94 1.250 -7.795 -19.537 1.00 10.00 N ATOM 1211 CA GLN A 94 1.273 -8.691 -20.685 1.00 10.00 C ATOM 1212 C GLN A 94 2.686 -8.824 -21.250 1.00 10.00 C ATOM 1213 O GLN A 94 3.033 -9.842 -21.844 1.00 10.00 O ATOM 1214 CB GLN A 94 0.316 -8.171 -21.758 1.00 10.00 C ATOM 1215 CG GLN A 94 0.097 -9.132 -22.913 1.00 10.00 C ATOM 1216 CD GLN A 94 -1.009 -8.671 -23.835 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -1.274 -7.475 -23.953 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -1.662 -9.611 -24.494 1.00 10.00 N ATOM 0 H GLN A 94 0.762 -6.915 -19.703 1.00 10.00 H new ATOM 0 HA GLN A 94 0.950 -9.681 -20.362 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -0.646 -7.951 -21.295 1.00 10.00 H new ATOM 0 HB3 GLN A 94 0.704 -7.231 -22.150 1.00 10.00 H new ATOM 0 HG2 GLN A 94 1.022 -9.233 -23.480 1.00 10.00 H new ATOM 0 HG3 GLN A 94 -0.146 -10.120 -22.521 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -1.410 -10.591 -24.367 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -2.418 -9.357 -25.130 1.00 10.00 H new ATOM 1227 N THR A 95 3.502 -7.798 -21.054 1.00 10.00 N ATOM 1228 CA THR A 95 4.873 -7.810 -21.541 1.00 10.00 C ATOM 1229 C THR A 95 5.745 -8.716 -20.679 1.00 10.00 C ATOM 1230 O THR A 95 6.700 -9.333 -21.158 1.00 10.00 O ATOM 1231 CB THR A 95 5.469 -6.390 -21.538 1.00 10.00 C ATOM 1232 OG1 THR A 95 5.294 -5.794 -20.243 1.00 10.00 O ATOM 1233 CG2 THR A 95 4.805 -5.522 -22.597 1.00 10.00 C ATOM 0 H THR A 95 3.237 -6.946 -20.560 1.00 10.00 H new ATOM 0 HA THR A 95 4.854 -8.190 -22.562 1.00 10.00 H new ATOM 0 HB THR A 95 6.532 -6.461 -21.767 1.00 10.00 H new ATOM 0 HG1 THR A 95 5.676 -4.891 -20.244 1.00 10.00 H new ATOM 0 HG21 THR A 95 5.242 -4.524 -22.576 1.00 10.00 H new ATOM 0 HG22 THR A 95 4.960 -5.965 -23.581 1.00 10.00 H new ATOM 0 HG23 THR A 95 3.736 -5.454 -22.394 1.00 10.00 H new ATOM 1241 N GLY A 96 5.394 -8.804 -19.401 1.00 10.00 N ATOM 1242 CA GLY A 96 6.154 -9.617 -18.476 1.00 10.00 C ATOM 1243 C GLY A 96 7.400 -8.897 -18.011 1.00 10.00 C ATOM 1244 O GLY A 96 8.352 -9.518 -17.543 1.00 10.00 O ATOM 0 H GLY A 96 4.593 -8.324 -18.990 1.00 10.00 H new ATOM 0 HA2 GLY A 96 5.534 -9.869 -17.616 1.00 10.00 H new ATOM 0 HA3 GLY A 96 6.431 -10.556 -18.956 1.00 10.00 H new ATOM 1248 N GLY A 97 7.388 -7.578 -18.150 1.00 10.00 N ATOM 1249 CA GLY A 97 8.519 -6.771 -17.753 1.00 10.00 C ATOM 1250 C GLY A 97 8.766 -5.651 -18.736 1.00 10.00 C ATOM 1251 O GLY A 97 9.945 -5.331 -18.996 1.00 10.00 O ATOM 0 H GLY A 97 6.605 -7.050 -18.535 1.00 10.00 H new ATOM 0 HA2 GLY A 97 8.341 -6.355 -16.761 1.00 10.00 H new ATOM 0 HA3 GLY A 97 9.408 -7.397 -17.681 1.00 10.00 H new TER 1255 GLY A 97 ATOM 1256 N ASN B 357 -3.878 -16.517 5.476 1.00 10.00 N ATOM 1257 CA ASN B 357 -3.265 -16.422 6.822 1.00 10.00 C ATOM 1258 C ASN B 357 -1.756 -16.262 6.710 1.00 10.00 C ATOM 1259 O ASN B 357 -0.993 -16.799 7.514 1.00 10.00 O ATOM 1260 CB ASN B 357 -3.603 -17.661 7.662 1.00 10.00 C ATOM 1261 CG ASN B 357 -3.347 -17.438 9.143 1.00 10.00 C ATOM 1262 OD1 ASN B 357 -3.472 -16.323 9.648 1.00 10.00 O ATOM 1263 ND2 ASN B 357 -2.979 -18.497 9.845 1.00 10.00 N ATOM 0 HA ASN B 357 -3.675 -15.543 7.320 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -4.650 -17.925 7.512 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -3.008 -18.506 7.315 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -2.787 -18.406 10.843 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -2.887 -19.405 9.389 1.00 10.00 H new ATOM 1270 N ASN B 358 -1.325 -15.520 5.707 1.00 10.00 N ATOM 1271 CA ASN B 358 0.090 -15.275 5.503 1.00 10.00 C ATOM 1272 C ASN B 358 0.331 -13.789 5.598 1.00 10.00 C ATOM 1273 O ASN B 358 -0.266 -13.022 4.860 1.00 10.00 O ATOM 1274 CB ASN B 358 0.524 -15.777 4.122 1.00 10.00 C ATOM 1275 CG ASN B 358 2.000 -15.556 3.843 1.00 10.00 C ATOM 1276 OD1 ASN B 358 2.816 -15.478 4.760 1.00 10.00 O ATOM 1277 ND2 ASN B 358 2.349 -15.459 2.566 1.00 10.00 N ATOM 0 H ASN B 358 -1.935 -15.076 5.021 1.00 10.00 H new ATOM 0 HA ASN B 358 0.668 -15.805 6.260 1.00 10.00 H new ATOM 0 HB2 ASN B 358 0.301 -16.841 4.043 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -0.064 -15.270 3.357 1.00 10.00 H new ATOM 0 HD21 ASN B 358 3.327 -15.314 2.314 1.00 10.00 H new ATOM 0 HD22 ASN B 358 1.639 -15.529 1.837 1.00 10.00 H new ATOM 1284 N ARG B 359 1.203 -13.381 6.492 1.00 10.00 N ATOM 1285 CA ARG B 359 1.484 -11.973 6.641 1.00 10.00 C ATOM 1286 C ARG B 359 2.961 -11.694 6.480 1.00 10.00 C ATOM 1287 O ARG B 359 3.798 -12.298 7.149 1.00 10.00 O ATOM 1288 CB ARG B 359 0.987 -11.470 8.001 1.00 10.00 C ATOM 1289 CG ARG B 359 1.485 -12.298 9.175 1.00 10.00 C ATOM 1290 CD ARG B 359 1.415 -11.521 10.482 1.00 10.00 C ATOM 1291 NE ARG B 359 2.282 -12.097 11.504 1.00 10.00 N ATOM 1292 CZ ARG B 359 2.322 -11.690 12.768 1.00 10.00 C ATOM 1293 NH1 ARG B 359 1.520 -10.717 13.183 1.00 10.00 N ATOM 1294 NH2 ARG B 359 3.164 -12.261 13.615 1.00 10.00 N ATOM 0 H ARG B 359 1.723 -13.995 7.119 1.00 10.00 H new ATOM 0 HA ARG B 359 0.953 -11.436 5.855 1.00 10.00 H new ATOM 0 HB2 ARG B 359 1.305 -10.436 8.135 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -0.103 -11.471 8.003 1.00 10.00 H new ATOM 0 HG2 ARG B 359 0.888 -13.206 9.259 1.00 10.00 H new ATOM 0 HG3 ARG B 359 2.513 -12.609 8.991 1.00 10.00 H new ATOM 0 HD2 ARG B 359 1.702 -10.485 10.304 1.00 10.00 H new ATOM 0 HD3 ARG B 359 0.387 -11.509 10.843 1.00 10.00 H new ATOM 0 HE ARG B 359 2.898 -12.863 11.230 1.00 10.00 H new ATOM 0 HH11 ARG B 359 0.870 -10.279 12.531 1.00 10.00 H new ATOM 0 HH12 ARG B 359 1.554 -10.408 14.154 1.00 10.00 H new ATOM 0 HH21 ARG B 359 3.779 -13.010 13.296 1.00 10.00 H new ATOM 0 HH22 ARG B 359 3.198 -11.952 14.586 1.00 10.00 H new ATOM 1308 N ASP B 360 3.275 -10.796 5.576 1.00 10.00 N ATOM 1309 CA ASP B 360 4.645 -10.380 5.357 1.00 10.00 C ATOM 1310 C ASP B 360 4.697 -8.874 5.521 1.00 10.00 C ATOM 1311 O ASP B 360 3.895 -8.173 4.913 1.00 10.00 O ATOM 1312 CB ASP B 360 5.151 -10.784 3.969 1.00 10.00 C ATOM 1313 CG ASP B 360 6.658 -10.624 3.829 1.00 10.00 C ATOM 1314 OD1 ASP B 360 7.134 -10.310 2.715 1.00 10.00 O ATOM 1315 OD2 ASP B 360 7.384 -10.810 4.829 1.00 10.00 O ATOM 0 H ASP B 360 2.594 -10.334 4.973 1.00 10.00 H new ATOM 0 HA ASP B 360 5.294 -10.874 6.080 1.00 10.00 H new ATOM 0 HB2 ASP B 360 4.879 -11.822 3.775 1.00 10.00 H new ATOM 0 HB3 ASP B 360 4.653 -10.177 3.213 1.00 10.00 H new ATOM 1320 N PRO B 361 5.625 -8.333 6.314 1.00 10.00 N ATOM 1321 CA PRO B 361 5.722 -6.908 6.514 1.00 10.00 C ATOM 1322 C PRO B 361 6.945 -6.319 5.818 1.00 10.00 C ATOM 1323 O PRO B 361 8.069 -6.806 5.950 1.00 10.00 O ATOM 1324 CB PRO B 361 5.878 -6.831 8.042 1.00 10.00 C ATOM 1325 CG PRO B 361 6.473 -8.156 8.455 1.00 10.00 C ATOM 1326 CD PRO B 361 6.538 -9.027 7.218 1.00 10.00 C ATOM 0 HA PRO B 361 4.877 -6.350 6.111 1.00 10.00 H new ATOM 0 HB2 PRO B 361 6.527 -6.003 8.329 1.00 10.00 H new ATOM 0 HB3 PRO B 361 4.916 -6.665 8.527 1.00 10.00 H new ATOM 0 HG2 PRO B 361 7.468 -8.015 8.878 1.00 10.00 H new ATOM 0 HG3 PRO B 361 5.863 -8.628 9.225 1.00 10.00 H new ATOM 0 HD2 PRO B 361 7.548 -9.086 6.813 1.00 10.00 H new ATOM 0 HD3 PRO B 361 6.215 -10.048 7.420 1.00 10.00 H new ATOM 1334 N ILE B 362 6.694 -5.269 5.055 1.00 10.00 N ATOM 1335 CA ILE B 362 7.730 -4.599 4.288 1.00 10.00 C ATOM 1336 C ILE B 362 7.892 -3.162 4.763 1.00 10.00 C ATOM 1337 O ILE B 362 6.908 -2.467 5.018 1.00 10.00 O ATOM 1338 CB ILE B 362 7.425 -4.610 2.772 1.00 10.00 C ATOM 1339 CG1 ILE B 362 6.896 -5.985 2.352 1.00 10.00 C ATOM 1340 CG2 ILE B 362 8.674 -4.252 1.969 1.00 10.00 C ATOM 1341 CD1 ILE B 362 6.348 -6.025 0.940 1.00 10.00 C ATOM 0 H ILE B 362 5.767 -4.857 4.950 1.00 10.00 H new ATOM 0 HA ILE B 362 8.658 -5.148 4.450 1.00 10.00 H new ATOM 0 HB ILE B 362 6.660 -3.861 2.566 1.00 10.00 H new ATOM 0 HG12 ILE B 362 7.700 -6.716 2.440 1.00 10.00 H new ATOM 0 HG13 ILE B 362 6.111 -6.289 3.045 1.00 10.00 H new ATOM 0 HG21 ILE B 362 8.439 -4.265 0.905 1.00 10.00 H new ATOM 0 HG22 ILE B 362 9.016 -3.257 2.253 1.00 10.00 H new ATOM 0 HG23 ILE B 362 9.460 -4.978 2.176 1.00 10.00 H new ATOM 0 HD11 ILE B 362 5.993 -7.031 0.716 1.00 10.00 H new ATOM 0 HD12 ILE B 362 5.522 -5.320 0.850 1.00 10.00 H new ATOM 0 HD13 ILE B 362 7.135 -5.753 0.236 1.00 10.00 H new ATOM 1353 N VAL B 363 9.141 -2.738 4.897 1.00 10.00 N ATOM 1354 CA VAL B 363 9.462 -1.400 5.366 1.00 10.00 C ATOM 1355 C VAL B 363 10.088 -0.589 4.238 1.00 10.00 C ATOM 1356 O VAL B 363 10.953 -1.068 3.504 1.00 10.00 O ATOM 1357 CB VAL B 363 10.422 -1.429 6.574 1.00 10.00 C ATOM 1358 CG1 VAL B 363 10.510 -0.058 7.225 1.00 10.00 C ATOM 1359 CG2 VAL B 363 9.986 -2.477 7.590 1.00 10.00 C ATOM 0 H VAL B 363 9.957 -3.311 4.684 1.00 10.00 H new ATOM 0 HA VAL B 363 8.531 -0.933 5.687 1.00 10.00 H new ATOM 0 HB VAL B 363 11.413 -1.700 6.210 1.00 10.00 H new ATOM 0 HG11 VAL B 363 11.192 -0.102 8.074 1.00 10.00 H new ATOM 0 HG12 VAL B 363 10.880 0.666 6.499 1.00 10.00 H new ATOM 0 HG13 VAL B 363 9.521 0.246 7.569 1.00 10.00 H new ATOM 0 HG21 VAL B 363 10.678 -2.478 8.432 1.00 10.00 H new ATOM 0 HG22 VAL B 363 8.983 -2.243 7.946 1.00 10.00 H new ATOM 0 HG23 VAL B 363 9.985 -3.461 7.120 1.00 10.00 H new ATOM 1369 N ILE B 364 9.631 0.641 4.120 1.00 10.00 N ATOM 1370 CA ILE B 364 10.049 1.552 3.071 1.00 10.00 C ATOM 1371 C ILE B 364 10.839 2.723 3.634 1.00 10.00 C ATOM 1372 O ILE B 364 10.602 3.187 4.754 1.00 10.00 O ATOM 1373 CB ILE B 364 8.857 2.063 2.224 1.00 10.00 C ATOM 1374 CG1 ILE B 364 9.349 2.557 0.858 1.00 10.00 C ATOM 1375 CG2 ILE B 364 8.083 3.168 2.943 1.00 10.00 C ATOM 1376 CD1 ILE B 364 9.942 1.460 -0.004 1.00 10.00 C ATOM 0 H ILE B 364 8.947 1.044 4.761 1.00 10.00 H new ATOM 0 HA ILE B 364 10.700 0.981 2.410 1.00 10.00 H new ATOM 0 HB ILE B 364 8.174 1.227 2.076 1.00 10.00 H new ATOM 0 HG12 ILE B 364 8.516 3.017 0.325 1.00 10.00 H new ATOM 0 HG13 ILE B 364 10.098 3.334 1.010 1.00 10.00 H new ATOM 0 HG21 ILE B 364 7.255 3.499 2.316 1.00 10.00 H new ATOM 0 HG22 ILE B 364 7.693 2.785 3.886 1.00 10.00 H new ATOM 0 HG23 ILE B 364 8.748 4.009 3.140 1.00 10.00 H new ATOM 0 HD11 ILE B 364 10.269 1.881 -0.955 1.00 10.00 H new ATOM 0 HD12 ILE B 364 10.795 1.016 0.509 1.00 10.00 H new ATOM 0 HD13 ILE B 364 9.189 0.693 -0.186 1.00 10.00 H new HETATM 1388 N SEP B 365 11.810 3.162 2.857 1.00 10.00 N HETATM 1389 CA SEP B 365 12.700 4.238 3.240 1.00 10.00 C HETATM 1390 CB SEP B 365 14.141 3.848 2.904 1.00 10.00 C HETATM 1391 OG SEP B 365 14.160 2.918 1.833 1.00 10.00 O HETATM 1392 C SEP B 365 12.307 5.492 2.483 1.00 10.00 C HETATM 1393 O SEP B 365 12.046 5.465 1.280 1.00 10.00 O HETATM 1394 P SEP B 365 15.114 3.159 0.571 1.00 10.00 P HETATM 1395 O1P SEP B 365 14.765 2.327 -0.599 1.00 10.00 O HETATM 1396 O2P SEP B 365 16.550 3.156 0.891 1.00 10.00 O HETATM 1397 O3P SEP B 365 14.819 4.657 0.104 1.00 10.00 O HETATM 0 HB3 SEP B 365 14.712 4.736 2.634 1.00 10.00 H new HETATM 0 HB2 SEP B 365 14.622 3.414 3.781 1.00 10.00 H new HETATM 0 HA SEP B 365 12.626 4.424 4.311 1.00 10.00 H new HETATM 0 H SEP B 365 12.188 2.314 2.434 1.00 10.00 H new ATOM 1402 N ASP B 366 12.231 6.585 3.221 1.00 10.00 N ATOM 1403 CA ASP B 366 11.780 7.858 2.685 1.00 10.00 C ATOM 1404 C ASP B 366 12.889 8.904 2.692 1.00 10.00 C ATOM 1405 O ASP B 366 13.586 9.097 3.689 1.00 10.00 O ATOM 1406 CB ASP B 366 10.586 8.313 3.526 1.00 10.00 C ATOM 1407 CG ASP B 366 10.308 9.797 3.459 1.00 10.00 C ATOM 1408 OD1 ASP B 366 10.435 10.479 4.504 1.00 10.00 O ATOM 1409 OD2 ASP B 366 9.925 10.282 2.380 1.00 10.00 O ATOM 0 H ASP B 366 12.480 6.616 4.210 1.00 10.00 H new ATOM 0 HA ASP B 366 11.489 7.737 1.642 1.00 10.00 H new ATOM 0 HB2 ASP B 366 9.698 7.774 3.197 1.00 10.00 H new ATOM 0 HB3 ASP B 366 10.761 8.034 4.565 1.00 10.00 H new HETATM 1414 N SEP B 367 13.048 9.545 1.545 1.00 10.00 N HETATM 1415 CA SEP B 367 14.065 10.561 1.330 1.00 10.00 C HETATM 1416 CB SEP B 367 14.166 10.827 -0.167 1.00 10.00 C HETATM 1417 OG SEP B 367 13.691 9.706 -0.907 1.00 10.00 O HETATM 1418 C SEP B 367 13.745 11.859 2.070 1.00 10.00 C HETATM 1419 O SEP B 367 12.688 12.458 1.857 1.00 10.00 O HETATM 1420 P SEP B 367 14.558 9.095 -2.099 1.00 10.00 P HETATM 1421 O1P SEP B 367 13.763 8.428 -3.145 1.00 10.00 O HETATM 1422 O2P SEP B 367 15.580 10.011 -2.629 1.00 10.00 O HETATM 1423 O3P SEP B 367 15.396 7.905 -1.433 1.00 10.00 O HETATM 0 HB3 SEP B 367 13.585 11.713 -0.425 1.00 10.00 H new HETATM 0 HB2 SEP B 367 15.202 11.035 -0.436 1.00 10.00 H new HETATM 0 HA SEP B 367 15.013 10.195 1.724 1.00 10.00 H new HETATM 0 H SEP B 367 12.549 9.147 0.750 1.00 10.00 H new ATOM 1428 N PRO B 368 14.668 12.316 2.936 1.00 10.00 N ATOM 1429 CA PRO B 368 14.493 13.544 3.719 1.00 10.00 C ATOM 1430 C PRO B 368 14.594 14.805 2.856 1.00 10.00 C ATOM 1431 O PRO B 368 13.673 15.640 2.911 1.00 10.00 O ATOM 1432 CB PRO B 368 15.640 13.481 4.732 1.00 10.00 C ATOM 1433 CG PRO B 368 16.689 12.652 4.079 1.00 10.00 C ATOM 1434 CD PRO B 368 15.964 11.666 3.207 1.00 10.00 C ATOM 0 HA PRO B 368 13.507 13.602 4.179 1.00 10.00 H new ATOM 0 HB2 PRO B 368 16.014 14.478 4.966 1.00 10.00 H new ATOM 0 HB3 PRO B 368 15.313 13.035 5.671 1.00 10.00 H new ATOM 0 HG2 PRO B 368 17.363 13.272 3.488 1.00 10.00 H new ATOM 0 HG3 PRO B 368 17.298 12.139 4.823 1.00 10.00 H new ATOM 0 HD2 PRO B 368 16.512 11.469 2.286 1.00 10.00 H new ATOM 0 HD3 PRO B 368 15.833 10.708 3.711 1.00 10.00 H new TER 1442 PRO B 368