USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 995 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 112 SER OG : rot 115:sc= 0.537 USER MOD Set 1.2: A 113 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 17 SER OG : rot 3:sc= 0.165 USER MOD Set 2.2: A 98 MET CE :methyl 154:sc= -0.113 (180deg=-0.745) USER MOD Set 3.1: A 9 TYR OH : rot -36:sc= 1.2 USER MOD Set 3.2: A 11 GLN : amide:sc= 1.72 K(o=2.9,f=-2.4) USER MOD Single : A 8 TYR OH : rot -106:sc= 0.019 USER MOD Single : A 13 THR OG1 : rot 76:sc= 0.807 USER MOD Single : A 16 THR OG1 : rot -89:sc= -0.777 USER MOD Single : A 20 ASN : amide:sc= -0.103 K(o=-0.1,f=-2.2!) USER MOD Single : A 26 ASN : amide:sc= 0.959 K(o=0.96,f=-0.11) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.204 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -3.82! C(o=-3.8!,f=-7.2!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -135:sc= 1.1 (180deg=-1.18) USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 1.06 K(o=1.1,f=-6!) USER MOD Single : A 42 LYS NZ :NH3+ 162:sc= 0.817 (180deg=0.63) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 171:sc= -1.47 (180deg=-2.09) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 101:sc= 1.26 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.53 K(o=-1.5,f=-3.4!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0.15 K(o=0.15,f=-1.5) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -162:sc= -0.0266 (180deg=-0.537) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 155:sc= -0.148 (180deg=-1.06) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0.944 K(o=0.94,f=0) USER MOD Single : A 104 ASN : amide:sc= -0.449 K(o=-0.45,f=-1.2) USER MOD Single : A 105 SER OG : rot 110:sc= -0.0523 USER MOD Single : A 107 GLN : amide:sc= 0.524 K(o=0.52,f=-1) USER MOD Single : A 109 LYS NZ :NH3+ -179:sc= 0.584 (180deg=0.576) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 87:sc= 0.612 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 91:sc= 0.563 USER MOD Single : A 121 GLN : amide:sc= 0.159 K(o=0.16,f=-11!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N ALA A 4 -20.361 10.178 0.663 1.00 0.00 N ATOM 34 CA ALA A 4 -19.544 8.982 0.833 1.00 0.00 C ATOM 35 C ALA A 4 -19.374 8.264 -0.513 1.00 0.00 C ATOM 36 O ALA A 4 -19.755 7.100 -0.686 1.00 0.00 O ATOM 37 CB ALA A 4 -20.109 8.113 1.953 1.00 0.00 C ATOM 0 HA ALA A 4 -18.536 9.249 1.152 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -19.491 7.223 2.070 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -20.113 8.678 2.885 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -21.128 7.816 1.705 1.00 0.00 H new ATOM 43 N LEU A 5 -18.788 9.006 -1.461 1.00 0.00 N ATOM 44 CA LEU A 5 -18.459 8.548 -2.809 1.00 0.00 C ATOM 45 C LEU A 5 -17.683 7.226 -2.740 1.00 0.00 C ATOM 46 O LEU A 5 -16.901 7.041 -1.794 1.00 0.00 O ATOM 47 CB LEU A 5 -17.606 9.595 -3.551 1.00 0.00 C ATOM 48 CG LEU A 5 -18.202 11.007 -3.643 1.00 0.00 C ATOM 49 CD1 LEU A 5 -17.176 11.984 -4.218 1.00 0.00 C ATOM 50 CD2 LEU A 5 -19.464 11.015 -4.503 1.00 0.00 C ATOM 0 H LEU A 5 -18.522 9.977 -1.300 1.00 0.00 H new ATOM 0 HA LEU A 5 -19.392 8.401 -3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -16.638 9.663 -3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -17.422 9.233 -4.563 1.00 0.00 H new ATOM 0 HG LEU A 5 -18.469 11.323 -2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -17.615 12.980 -4.276 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -16.298 12.012 -3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -16.882 11.658 -5.216 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -19.865 12.027 -4.551 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -19.221 10.673 -5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -20.208 10.350 -4.064 1.00 0.00 H new ATOM 62 N PRO A 6 -17.856 6.334 -3.725 1.00 0.00 N ATOM 63 CA PRO A 6 -17.165 5.058 -3.781 1.00 0.00 C ATOM 64 C PRO A 6 -15.696 5.276 -4.135 1.00 0.00 C ATOM 65 O PRO A 6 -15.281 6.367 -4.516 1.00 0.00 O ATOM 66 CB PRO A 6 -17.899 4.262 -4.861 1.00 0.00 C ATOM 67 CG PRO A 6 -18.313 5.354 -5.843 1.00 0.00 C ATOM 68 CD PRO A 6 -18.608 6.556 -4.948 1.00 0.00 C ATOM 0 HA PRO A 6 -17.172 4.528 -2.829 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -17.253 3.518 -5.328 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -18.760 3.729 -4.459 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -17.519 5.572 -6.557 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -19.189 5.061 -6.421 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -18.305 7.486 -5.430 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -19.675 6.637 -4.741 1.00 0.00 H new ATOM 76 N LEU A 7 -14.895 4.228 -3.979 1.00 0.00 N ATOM 77 CA LEU A 7 -13.465 4.242 -4.232 1.00 0.00 C ATOM 78 C LEU A 7 -13.117 4.414 -5.718 1.00 0.00 C ATOM 79 O LEU A 7 -13.076 3.449 -6.483 1.00 0.00 O ATOM 80 CB LEU A 7 -12.861 2.979 -3.619 1.00 0.00 C ATOM 81 CG LEU A 7 -11.348 2.879 -3.843 1.00 0.00 C ATOM 82 CD1 LEU A 7 -10.618 4.153 -3.430 1.00 0.00 C ATOM 83 CD2 LEU A 7 -10.766 1.792 -2.952 1.00 0.00 C ATOM 0 H LEU A 7 -15.236 3.320 -3.664 1.00 0.00 H new ATOM 0 HA LEU A 7 -13.025 5.119 -3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -13.068 2.965 -2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.347 2.103 -4.049 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.214 2.682 -4.907 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.549 4.034 -3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.992 4.993 -4.016 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.791 4.344 -2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.690 1.725 -3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -10.960 2.035 -1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -11.230 0.836 -3.194 1.00 0.00 H new ATOM 95 N TYR A 8 -12.805 5.642 -6.126 1.00 0.00 N ATOM 96 CA TYR A 8 -12.456 5.975 -7.502 1.00 0.00 C ATOM 97 C TYR A 8 -10.955 5.859 -7.801 1.00 0.00 C ATOM 98 O TYR A 8 -10.597 5.890 -8.979 1.00 0.00 O ATOM 99 CB TYR A 8 -13.019 7.356 -7.886 1.00 0.00 C ATOM 100 CG TYR A 8 -12.803 8.493 -6.900 1.00 0.00 C ATOM 101 CD1 TYR A 8 -11.631 9.274 -6.939 1.00 0.00 C ATOM 102 CD2 TYR A 8 -13.819 8.808 -5.979 1.00 0.00 C ATOM 103 CE1 TYR A 8 -11.471 10.351 -6.045 1.00 0.00 C ATOM 104 CE2 TYR A 8 -13.663 9.871 -5.074 1.00 0.00 C ATOM 105 CZ TYR A 8 -12.484 10.646 -5.100 1.00 0.00 C ATOM 106 OH TYR A 8 -12.350 11.699 -4.249 1.00 0.00 O ATOM 0 H TYR A 8 -12.788 6.446 -5.498 1.00 0.00 H new ATOM 0 HA TYR A 8 -12.929 5.224 -8.135 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -12.578 7.647 -8.839 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.091 7.250 -8.050 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.855 9.047 -7.655 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -14.729 8.226 -5.968 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.575 10.953 -6.080 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -14.443 10.094 -4.361 1.00 0.00 H new ATOM 0 HH TYR A 8 -12.148 11.368 -3.349 1.00 0.00 H new ATOM 116 N TYR A 9 -10.074 5.707 -6.801 1.00 0.00 N ATOM 117 CA TYR A 9 -8.622 5.683 -7.011 1.00 0.00 C ATOM 118 C TYR A 9 -7.898 4.900 -5.926 1.00 0.00 C ATOM 119 O TYR A 9 -8.067 5.191 -4.741 1.00 0.00 O ATOM 120 CB TYR A 9 -8.101 7.106 -6.981 1.00 0.00 C ATOM 121 CG TYR A 9 -6.609 7.258 -7.190 1.00 0.00 C ATOM 122 CD1 TYR A 9 -6.118 7.378 -8.496 1.00 0.00 C ATOM 123 CD2 TYR A 9 -5.717 7.280 -6.097 1.00 0.00 C ATOM 124 CE1 TYR A 9 -4.747 7.557 -8.725 1.00 0.00 C ATOM 125 CE2 TYR A 9 -4.341 7.472 -6.313 1.00 0.00 C ATOM 126 CZ TYR A 9 -3.858 7.620 -7.631 1.00 0.00 C ATOM 127 OH TYR A 9 -2.530 7.795 -7.863 1.00 0.00 O ATOM 0 H TYR A 9 -10.350 5.597 -5.825 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.436 5.201 -7.971 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -8.618 7.680 -7.750 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -8.363 7.550 -6.021 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.800 7.332 -9.332 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.092 7.149 -5.093 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.373 7.646 -9.734 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.659 7.506 -5.477 1.00 0.00 H new ATOM 0 HH TYR A 9 -2.272 7.307 -8.673 1.00 0.00 H new ATOM 137 N LEU A 10 -7.046 3.959 -6.331 1.00 0.00 N ATOM 138 CA LEU A 10 -6.365 3.013 -5.464 1.00 0.00 C ATOM 139 C LEU A 10 -4.965 2.807 -6.034 1.00 0.00 C ATOM 140 O LEU A 10 -4.815 2.287 -7.139 1.00 0.00 O ATOM 141 CB LEU A 10 -7.237 1.748 -5.415 1.00 0.00 C ATOM 142 CG LEU A 10 -6.661 0.388 -5.087 1.00 0.00 C ATOM 143 CD1 LEU A 10 -5.443 0.352 -4.180 1.00 0.00 C ATOM 144 CD2 LEU A 10 -7.627 -0.535 -4.366 1.00 0.00 C ATOM 0 H LEU A 10 -6.805 3.834 -7.314 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.235 3.349 -4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.026 1.939 -4.688 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.717 1.659 -6.390 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.406 0.072 -6.099 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.134 -0.682 -4.027 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.628 0.910 -4.642 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.691 0.803 -3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.139 -1.489 -4.167 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.931 -0.079 -3.424 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.506 -0.700 -4.989 1.00 0.00 H new ATOM 156 N GLN A 11 -3.941 3.227 -5.294 1.00 0.00 N ATOM 157 CA GLN A 11 -2.526 3.091 -5.643 1.00 0.00 C ATOM 158 C GLN A 11 -1.716 2.795 -4.369 1.00 0.00 C ATOM 159 O GLN A 11 -2.133 3.168 -3.268 1.00 0.00 O ATOM 160 CB GLN A 11 -2.051 4.395 -6.326 1.00 0.00 C ATOM 161 CG GLN A 11 -1.662 4.248 -7.806 1.00 0.00 C ATOM 162 CD GLN A 11 -2.641 4.800 -8.834 1.00 0.00 C ATOM 163 OE1 GLN A 11 -2.308 5.745 -9.549 1.00 0.00 O ATOM 164 NE2 GLN A 11 -3.827 4.233 -8.967 1.00 0.00 N ATOM 0 H GLN A 11 -4.079 3.691 -4.396 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.378 2.264 -6.338 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.844 5.139 -6.246 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.193 4.783 -5.777 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.701 4.740 -7.955 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.513 3.188 -8.014 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.088 3.451 -8.367 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.481 4.578 -9.670 1.00 0.00 H new ATOM 173 N ILE A 12 -0.546 2.157 -4.496 1.00 0.00 N ATOM 174 CA ILE A 12 0.353 1.870 -3.369 1.00 0.00 C ATOM 175 C ILE A 12 0.833 3.184 -2.748 1.00 0.00 C ATOM 176 O ILE A 12 0.879 3.271 -1.535 1.00 0.00 O ATOM 177 CB ILE A 12 1.550 0.985 -3.802 1.00 0.00 C ATOM 178 CG1 ILE A 12 1.149 -0.362 -4.447 1.00 0.00 C ATOM 179 CG2 ILE A 12 2.524 0.698 -2.635 1.00 0.00 C ATOM 180 CD1 ILE A 12 0.191 -1.221 -3.614 1.00 0.00 C ATOM 0 H ILE A 12 -0.192 1.822 -5.392 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.202 1.305 -2.620 1.00 0.00 H new ATOM 0 HB ILE A 12 2.047 1.585 -4.564 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.686 -0.161 -5.413 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.054 -0.938 -4.641 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.344 0.075 -2.991 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.922 1.638 -2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.993 0.178 -1.837 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.030 -2.144 -4.150 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.655 -1.460 -2.657 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.734 -0.671 -3.441 1.00 0.00 H new ATOM 192 N THR A 13 1.094 4.217 -3.555 1.00 0.00 N ATOM 193 CA THR A 13 1.336 5.604 -3.157 1.00 0.00 C ATOM 194 C THR A 13 2.638 5.838 -2.362 1.00 0.00 C ATOM 195 O THR A 13 3.505 6.549 -2.880 1.00 0.00 O ATOM 196 CB THR A 13 0.074 6.200 -2.501 1.00 0.00 C ATOM 197 OG1 THR A 13 -1.091 5.751 -3.177 1.00 0.00 O ATOM 198 CG2 THR A 13 0.087 7.722 -2.626 1.00 0.00 C ATOM 0 H THR A 13 1.145 4.098 -4.567 1.00 0.00 H new ATOM 0 HA THR A 13 1.528 6.165 -4.072 1.00 0.00 H new ATOM 0 HB THR A 13 0.067 5.888 -1.457 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.277 4.822 -2.927 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.808 8.133 -2.160 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.971 8.120 -2.128 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.108 8.000 -3.680 1.00 0.00 H new ATOM 206 N GLY A 14 2.823 5.265 -1.166 1.00 0.00 N ATOM 207 CA GLY A 14 4.099 5.275 -0.452 1.00 0.00 C ATOM 208 C GLY A 14 4.361 3.900 0.159 1.00 0.00 C ATOM 209 O GLY A 14 3.422 3.137 0.401 1.00 0.00 O ATOM 0 H GLY A 14 2.081 4.777 -0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.906 5.539 -1.135 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.082 6.034 0.331 1.00 0.00 H new ATOM 213 N ILE A 15 5.623 3.568 0.426 1.00 0.00 N ATOM 214 CA ILE A 15 6.013 2.265 0.959 1.00 0.00 C ATOM 215 C ILE A 15 7.235 2.449 1.845 1.00 0.00 C ATOM 216 O ILE A 15 8.017 3.363 1.622 1.00 0.00 O ATOM 217 CB ILE A 15 6.278 1.300 -0.217 1.00 0.00 C ATOM 218 CG1 ILE A 15 6.129 -0.174 0.185 1.00 0.00 C ATOM 219 CG2 ILE A 15 7.636 1.541 -0.908 1.00 0.00 C ATOM 220 CD1 ILE A 15 6.070 -1.074 -1.056 1.00 0.00 C ATOM 0 H ILE A 15 6.409 4.201 0.277 1.00 0.00 H new ATOM 0 HA ILE A 15 5.220 1.831 1.568 1.00 0.00 H new ATOM 0 HB ILE A 15 5.502 1.527 -0.948 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.968 -0.470 0.815 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.223 -0.304 0.778 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.760 0.830 -1.725 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.668 2.557 -1.303 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.441 1.407 -0.185 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.964 -2.114 -0.747 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.216 -0.790 -1.671 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.987 -0.959 -1.633 1.00 0.00 H new ATOM 232 N THR A 16 7.428 1.556 2.803 1.00 0.00 N ATOM 233 CA THR A 16 8.647 1.442 3.578 1.00 0.00 C ATOM 234 C THR A 16 8.670 0.020 4.148 1.00 0.00 C ATOM 235 O THR A 16 7.801 -0.813 3.877 1.00 0.00 O ATOM 236 CB THR A 16 8.709 2.576 4.631 1.00 0.00 C ATOM 237 OG1 THR A 16 9.909 2.502 5.370 1.00 0.00 O ATOM 238 CG2 THR A 16 7.583 2.549 5.668 1.00 0.00 C ATOM 0 H THR A 16 6.719 0.872 3.068 1.00 0.00 H new ATOM 0 HA THR A 16 9.551 1.577 2.984 1.00 0.00 H new ATOM 0 HB THR A 16 8.624 3.487 4.039 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.778 1.923 6.150 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.709 3.379 6.363 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.621 2.641 5.163 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.616 1.608 6.217 1.00 0.00 H new ATOM 246 N SER A 17 9.673 -0.314 4.946 1.00 0.00 N ATOM 247 CA SER A 17 9.693 -1.497 5.789 1.00 0.00 C ATOM 248 C SER A 17 10.406 -1.136 7.087 1.00 0.00 C ATOM 249 O SER A 17 10.910 -0.015 7.222 1.00 0.00 O ATOM 250 CB SER A 17 10.343 -2.652 5.031 1.00 0.00 C ATOM 251 OG SER A 17 9.508 -2.945 3.927 1.00 0.00 O ATOM 0 H SER A 17 10.520 0.248 5.026 1.00 0.00 H new ATOM 0 HA SER A 17 8.689 -1.833 6.046 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.343 -2.379 4.696 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.450 -3.524 5.676 1.00 0.00 H new ATOM 0 HG SER A 17 8.761 -2.311 3.905 1.00 0.00 H new ATOM 257 N ASP A 18 10.418 -2.068 8.037 1.00 0.00 N ATOM 258 CA ASP A 18 11.097 -1.927 9.327 1.00 0.00 C ATOM 259 C ASP A 18 12.567 -1.532 9.106 1.00 0.00 C ATOM 260 O ASP A 18 13.013 -0.479 9.569 1.00 0.00 O ATOM 261 CB ASP A 18 10.923 -3.248 10.100 1.00 0.00 C ATOM 262 CG ASP A 18 11.579 -3.289 11.485 1.00 0.00 C ATOM 263 OD1 ASP A 18 12.147 -2.275 11.928 1.00 0.00 O ATOM 264 OD2 ASP A 18 11.431 -4.331 12.167 1.00 0.00 O ATOM 0 H ASP A 18 9.945 -2.965 7.930 1.00 0.00 H new ATOM 0 HA ASP A 18 10.662 -1.127 9.927 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.857 -3.444 10.215 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.333 -4.059 9.498 1.00 0.00 H new ATOM 269 N GLY A 19 13.288 -2.279 8.263 1.00 0.00 N ATOM 270 CA GLY A 19 14.674 -1.997 7.890 1.00 0.00 C ATOM 271 C GLY A 19 14.827 -0.886 6.840 1.00 0.00 C ATOM 272 O GLY A 19 15.815 -0.870 6.101 1.00 0.00 O ATOM 0 H GLY A 19 12.914 -3.114 7.812 1.00 0.00 H new ATOM 0 HA2 GLY A 19 15.230 -1.716 8.785 1.00 0.00 H new ATOM 0 HA3 GLY A 19 15.129 -2.910 7.506 1.00 0.00 H new ATOM 276 N ASN A 20 13.858 0.025 6.713 1.00 0.00 N ATOM 277 CA ASN A 20 13.972 1.182 5.825 1.00 0.00 C ATOM 278 C ASN A 20 13.896 2.512 6.583 1.00 0.00 C ATOM 279 O ASN A 20 13.904 3.558 5.940 1.00 0.00 O ATOM 280 CB ASN A 20 12.962 1.124 4.669 1.00 0.00 C ATOM 281 CG ASN A 20 13.622 1.514 3.356 1.00 0.00 C ATOM 282 OD1 ASN A 20 13.471 2.612 2.847 1.00 0.00 O ATOM 283 ND2 ASN A 20 14.410 0.628 2.776 1.00 0.00 N ATOM 0 H ASN A 20 12.975 -0.020 7.222 1.00 0.00 H new ATOM 0 HA ASN A 20 14.967 1.132 5.383 1.00 0.00 H new ATOM 0 HB2 ASN A 20 12.551 0.118 4.590 1.00 0.00 H new ATOM 0 HB3 ASN A 20 12.128 1.794 4.875 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.889 0.863 1.907 1.00 0.00 H new ATOM 0 HD22 ASN A 20 14.540 -0.292 3.197 1.00 0.00 H new ATOM 290 N ASP A 21 13.851 2.511 7.923 1.00 0.00 N ATOM 291 CA ASP A 21 13.808 3.729 8.764 1.00 0.00 C ATOM 292 C ASP A 21 12.488 4.498 8.589 1.00 0.00 C ATOM 293 O ASP A 21 12.422 5.714 8.771 1.00 0.00 O ATOM 294 CB ASP A 21 15.040 4.615 8.502 1.00 0.00 C ATOM 295 CG ASP A 21 15.439 5.495 9.688 1.00 0.00 C ATOM 296 OD1 ASP A 21 14.903 6.617 9.842 1.00 0.00 O ATOM 297 OD2 ASP A 21 16.418 5.108 10.368 1.00 0.00 O ATOM 0 H ASP A 21 13.843 1.649 8.469 1.00 0.00 H new ATOM 0 HA ASP A 21 13.844 3.419 9.808 1.00 0.00 H new ATOM 0 HB2 ASP A 21 15.883 3.977 8.236 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.839 5.253 7.641 1.00 0.00 H new ATOM 302 N PHE A 22 11.422 3.795 8.188 1.00 0.00 N ATOM 303 CA PHE A 22 10.131 4.391 7.841 1.00 0.00 C ATOM 304 C PHE A 22 10.250 5.433 6.705 1.00 0.00 C ATOM 305 O PHE A 22 9.397 6.316 6.592 1.00 0.00 O ATOM 306 CB PHE A 22 9.388 4.898 9.090 1.00 0.00 C ATOM 307 CG PHE A 22 8.904 3.825 10.054 1.00 0.00 C ATOM 308 CD1 PHE A 22 9.810 3.082 10.835 1.00 0.00 C ATOM 309 CD2 PHE A 22 7.523 3.630 10.244 1.00 0.00 C ATOM 310 CE1 PHE A 22 9.345 2.220 11.844 1.00 0.00 C ATOM 311 CE2 PHE A 22 7.060 2.786 11.266 1.00 0.00 C ATOM 312 CZ PHE A 22 7.968 2.080 12.072 1.00 0.00 C ATOM 0 H PHE A 22 11.435 2.779 8.095 1.00 0.00 H new ATOM 0 HA PHE A 22 9.502 3.603 7.426 1.00 0.00 H new ATOM 0 HB2 PHE A 22 10.048 5.576 9.632 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.527 5.483 8.765 1.00 0.00 H new ATOM 0 HD1 PHE A 22 10.871 3.175 10.658 1.00 0.00 H new ATOM 0 HD2 PHE A 22 6.816 4.132 9.600 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.050 1.664 12.445 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.998 2.679 11.433 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.609 1.435 12.860 1.00 0.00 H new ATOM 322 N ALA A 23 11.287 5.333 5.861 1.00 0.00 N ATOM 323 CA ALA A 23 11.436 6.120 4.644 1.00 0.00 C ATOM 324 C ALA A 23 10.313 5.779 3.653 1.00 0.00 C ATOM 325 O ALA A 23 10.422 4.823 2.891 1.00 0.00 O ATOM 326 CB ALA A 23 12.827 5.888 4.044 1.00 0.00 C ATOM 0 H ALA A 23 12.060 4.685 6.016 1.00 0.00 H new ATOM 0 HA ALA A 23 11.350 7.181 4.878 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.934 6.479 3.134 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.588 6.189 4.764 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.949 4.831 3.807 1.00 0.00 H new ATOM 332 N TRP A 24 9.219 6.545 3.694 1.00 0.00 N ATOM 333 CA TRP A 24 7.965 6.302 2.985 1.00 0.00 C ATOM 334 C TRP A 24 8.028 6.469 1.468 1.00 0.00 C ATOM 335 O TRP A 24 7.023 6.190 0.805 1.00 0.00 O ATOM 336 CB TRP A 24 6.890 7.243 3.554 1.00 0.00 C ATOM 337 CG TRP A 24 6.218 6.711 4.771 1.00 0.00 C ATOM 338 CD1 TRP A 24 6.254 7.233 6.015 1.00 0.00 C ATOM 339 CD2 TRP A 24 5.442 5.490 4.869 1.00 0.00 C ATOM 340 NE1 TRP A 24 5.511 6.437 6.867 1.00 0.00 N ATOM 341 CE2 TRP A 24 5.011 5.326 6.216 1.00 0.00 C ATOM 342 CE3 TRP A 24 5.092 4.491 3.942 1.00 0.00 C ATOM 343 CZ2 TRP A 24 4.262 4.211 6.617 1.00 0.00 C ATOM 344 CZ3 TRP A 24 4.357 3.365 4.338 1.00 0.00 C ATOM 345 CH2 TRP A 24 3.936 3.224 5.671 1.00 0.00 C ATOM 0 H TRP A 24 9.185 7.397 4.254 1.00 0.00 H new ATOM 0 HA TRP A 24 7.727 5.251 3.148 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.348 8.203 3.792 1.00 0.00 H new ATOM 0 HB3 TRP A 24 6.139 7.430 2.786 1.00 0.00 H new ATOM 0 HD1 TRP A 24 6.781 8.132 6.300 1.00 0.00 H new ATOM 0 HE1 TRP A 24 5.352 6.644 7.853 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.394 4.593 2.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.939 4.111 7.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 4.113 2.601 3.614 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.363 2.358 5.968 1.00 0.00 H new ATOM 356 N ASP A 25 9.132 7.024 0.968 1.00 0.00 N ATOM 357 CA ASP A 25 9.610 6.994 -0.417 1.00 0.00 C ATOM 358 C ASP A 25 8.482 7.214 -1.430 1.00 0.00 C ATOM 359 O ASP A 25 7.883 6.253 -1.912 1.00 0.00 O ATOM 360 CB ASP A 25 10.453 5.746 -0.711 1.00 0.00 C ATOM 361 CG ASP A 25 11.917 5.853 -0.273 1.00 0.00 C ATOM 362 OD1 ASP A 25 12.269 6.730 0.542 1.00 0.00 O ATOM 363 OD2 ASP A 25 12.752 5.076 -0.801 1.00 0.00 O ATOM 0 H ASP A 25 9.768 7.549 1.569 1.00 0.00 H new ATOM 0 HA ASP A 25 10.282 7.844 -0.538 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.999 4.890 -0.212 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.421 5.545 -1.782 1.00 0.00 H new ATOM 368 N ASN A 26 8.152 8.474 -1.735 1.00 0.00 N ATOM 369 CA ASN A 26 7.029 8.829 -2.607 1.00 0.00 C ATOM 370 C ASN A 26 7.090 8.119 -3.961 1.00 0.00 C ATOM 371 O ASN A 26 7.890 8.443 -4.848 1.00 0.00 O ATOM 372 CB ASN A 26 6.861 10.348 -2.782 1.00 0.00 C ATOM 373 CG ASN A 26 8.138 11.135 -3.067 1.00 0.00 C ATOM 374 OD1 ASN A 26 8.487 12.026 -2.304 1.00 0.00 O ATOM 375 ND2 ASN A 26 8.843 10.891 -4.158 1.00 0.00 N ATOM 0 H ASN A 26 8.662 9.283 -1.380 1.00 0.00 H new ATOM 0 HA ASN A 26 6.138 8.470 -2.091 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.160 10.524 -3.598 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.405 10.750 -1.877 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.675 11.445 -4.362 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.555 10.149 -4.796 1.00 0.00 H new ATOM 382 N LEU A 27 6.210 7.143 -4.141 1.00 0.00 N ATOM 383 CA LEU A 27 6.201 6.334 -5.340 1.00 0.00 C ATOM 384 C LEU A 27 5.626 7.176 -6.460 1.00 0.00 C ATOM 385 O LEU A 27 4.597 7.842 -6.291 1.00 0.00 O ATOM 386 CB LEU A 27 5.406 5.043 -5.140 1.00 0.00 C ATOM 387 CG LEU A 27 5.791 4.274 -3.865 1.00 0.00 C ATOM 388 CD1 LEU A 27 4.897 3.047 -3.688 1.00 0.00 C ATOM 389 CD2 LEU A 27 7.259 3.851 -3.757 1.00 0.00 C ATOM 0 H LEU A 27 5.490 6.896 -3.462 1.00 0.00 H new ATOM 0 HA LEU A 27 7.216 6.026 -5.590 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.343 5.283 -5.103 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.557 4.396 -6.004 1.00 0.00 H new ATOM 0 HG LEU A 27 5.637 4.996 -3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.184 2.515 -2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.857 3.363 -3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.012 2.386 -4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.416 3.317 -2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.512 3.199 -4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.895 4.736 -3.782 1.00 0.00 H new ATOM 401 N THR A 28 6.283 7.152 -7.610 1.00 0.00 N ATOM 402 CA THR A 28 5.789 7.784 -8.814 1.00 0.00 C ATOM 403 C THR A 28 4.427 7.174 -9.181 1.00 0.00 C ATOM 404 O THR A 28 4.127 6.032 -8.822 1.00 0.00 O ATOM 405 CB THR A 28 6.855 7.659 -9.921 1.00 0.00 C ATOM 406 OG1 THR A 28 7.647 6.488 -9.861 1.00 0.00 O ATOM 407 CG2 THR A 28 7.856 8.816 -9.828 1.00 0.00 C ATOM 0 H THR A 28 7.183 6.687 -7.730 1.00 0.00 H new ATOM 0 HA THR A 28 5.618 8.851 -8.669 1.00 0.00 H new ATOM 0 HB THR A 28 6.271 7.650 -10.841 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.292 6.491 -10.599 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.603 8.715 -10.615 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.330 9.763 -9.946 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.348 8.794 -8.856 1.00 0.00 H new ATOM 415 N SER A 29 3.579 7.929 -9.882 1.00 0.00 N ATOM 416 CA SER A 29 2.258 7.447 -10.292 1.00 0.00 C ATOM 417 C SER A 29 2.424 6.151 -11.101 1.00 0.00 C ATOM 418 O SER A 29 1.967 5.082 -10.686 1.00 0.00 O ATOM 419 CB SER A 29 1.498 8.535 -11.065 1.00 0.00 C ATOM 420 OG SER A 29 1.279 9.686 -10.260 1.00 0.00 O ATOM 0 H SER A 29 3.785 8.883 -10.179 1.00 0.00 H new ATOM 0 HA SER A 29 1.654 7.220 -9.413 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.063 8.813 -11.955 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.541 8.140 -11.406 1.00 0.00 H new ATOM 0 HG SER A 29 0.795 10.361 -10.780 1.00 0.00 H new ATOM 426 N SER A 30 3.172 6.227 -12.201 1.00 0.00 N ATOM 427 CA SER A 30 3.457 5.122 -13.111 1.00 0.00 C ATOM 428 C SER A 30 4.586 4.196 -12.629 1.00 0.00 C ATOM 429 O SER A 30 5.155 3.463 -13.434 1.00 0.00 O ATOM 430 CB SER A 30 3.827 5.680 -14.483 1.00 0.00 C ATOM 431 OG SER A 30 2.960 6.725 -14.893 1.00 0.00 O ATOM 0 H SER A 30 3.614 7.098 -12.493 1.00 0.00 H new ATOM 0 HA SER A 30 2.551 4.518 -13.155 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.852 6.051 -14.457 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.797 4.877 -15.219 1.00 0.00 H new ATOM 0 HG SER A 30 3.236 7.052 -15.775 1.00 0.00 H new ATOM 437 N GLN A 31 4.972 4.244 -11.351 1.00 0.00 N ATOM 438 CA GLN A 31 6.022 3.373 -10.830 1.00 0.00 C ATOM 439 C GLN A 31 5.611 1.908 -11.044 1.00 0.00 C ATOM 440 O GLN A 31 4.441 1.574 -10.840 1.00 0.00 O ATOM 441 CB GLN A 31 6.236 3.655 -9.334 1.00 0.00 C ATOM 442 CG GLN A 31 7.570 3.131 -8.822 1.00 0.00 C ATOM 443 CD GLN A 31 7.652 3.121 -7.302 1.00 0.00 C ATOM 444 OE1 GLN A 31 6.986 2.315 -6.662 1.00 0.00 O ATOM 445 NE2 GLN A 31 8.433 3.998 -6.689 1.00 0.00 N ATOM 0 H GLN A 31 4.571 4.878 -10.660 1.00 0.00 H new ATOM 0 HA GLN A 31 6.957 3.565 -11.356 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.181 4.730 -9.160 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.428 3.198 -8.763 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.727 2.120 -9.197 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.375 3.747 -9.221 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.981 4.662 -7.236 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.486 4.009 -5.670 1.00 0.00 H new ATOM 454 N THR A 32 6.565 1.040 -11.395 1.00 0.00 N ATOM 455 CA THR A 32 6.372 -0.413 -11.502 1.00 0.00 C ATOM 456 C THR A 32 7.446 -1.200 -10.726 1.00 0.00 C ATOM 457 O THR A 32 7.432 -2.434 -10.671 1.00 0.00 O ATOM 458 CB THR A 32 6.290 -0.827 -12.983 1.00 0.00 C ATOM 459 OG1 THR A 32 7.538 -0.717 -13.644 1.00 0.00 O ATOM 460 CG2 THR A 32 5.272 0.011 -13.763 1.00 0.00 C ATOM 0 H THR A 32 7.516 1.333 -11.618 1.00 0.00 H new ATOM 0 HA THR A 32 5.423 -0.669 -11.030 1.00 0.00 H new ATOM 0 HB THR A 32 5.975 -1.870 -12.967 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.438 -0.991 -14.579 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.250 -0.318 -14.802 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.283 -0.114 -13.322 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.558 1.062 -13.721 1.00 0.00 H new ATOM 468 N LYS A 33 8.395 -0.492 -10.104 1.00 0.00 N ATOM 469 CA LYS A 33 9.494 -1.061 -9.341 1.00 0.00 C ATOM 470 C LYS A 33 9.807 -0.158 -8.171 1.00 0.00 C ATOM 471 O LYS A 33 9.757 1.066 -8.315 1.00 0.00 O ATOM 472 CB LYS A 33 10.725 -1.238 -10.255 1.00 0.00 C ATOM 473 CG LYS A 33 11.077 -2.722 -10.367 1.00 0.00 C ATOM 474 CD LYS A 33 11.555 -3.154 -11.762 1.00 0.00 C ATOM 475 CE LYS A 33 11.065 -4.573 -12.066 1.00 0.00 C ATOM 476 NZ LYS A 33 9.598 -4.634 -12.255 1.00 0.00 N ATOM 0 H LYS A 33 8.413 0.528 -10.123 1.00 0.00 H new ATOM 0 HA LYS A 33 9.215 -2.042 -8.957 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.517 -0.828 -11.244 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.572 -0.683 -9.851 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.856 -2.955 -9.641 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.202 -3.313 -10.096 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.179 -2.461 -12.515 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.643 -3.118 -11.810 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.560 -4.941 -12.965 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.352 -5.236 -11.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.214 -5.448 -11.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.165 -3.758 -11.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.382 -4.739 -13.267 1.00 0.00 H new ATOM 490 N ALA A 34 10.098 -0.774 -7.034 1.00 0.00 N ATOM 491 CA ALA A 34 10.324 -0.113 -5.771 1.00 0.00 C ATOM 492 C ALA A 34 11.484 0.867 -5.895 1.00 0.00 C ATOM 493 O ALA A 34 12.336 0.718 -6.778 1.00 0.00 O ATOM 494 CB ALA A 34 10.633 -1.182 -4.712 1.00 0.00 C ATOM 0 H ALA A 34 10.185 -1.788 -6.971 1.00 0.00 H new ATOM 0 HA ALA A 34 9.437 0.449 -5.477 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.807 -0.701 -3.749 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.789 -1.866 -4.628 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.523 -1.738 -5.006 1.00 0.00 H new ATOM 500 N PRO A 35 11.582 1.814 -4.955 1.00 0.00 N ATOM 501 CA PRO A 35 12.770 2.629 -4.806 1.00 0.00 C ATOM 502 C PRO A 35 13.998 1.765 -4.560 1.00 0.00 C ATOM 503 O PRO A 35 15.086 2.126 -5.003 1.00 0.00 O ATOM 504 CB PRO A 35 12.532 3.535 -3.597 1.00 0.00 C ATOM 505 CG PRO A 35 11.325 2.915 -2.886 1.00 0.00 C ATOM 506 CD PRO A 35 10.582 2.154 -3.965 1.00 0.00 C ATOM 0 HA PRO A 35 12.950 3.204 -5.714 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.405 3.564 -2.945 1.00 0.00 H new ATOM 0 HB3 PRO A 35 12.328 4.561 -3.904 1.00 0.00 H new ATOM 0 HG2 PRO A 35 11.640 2.251 -2.081 1.00 0.00 H new ATOM 0 HG3 PRO A 35 10.694 3.683 -2.438 1.00 0.00 H new ATOM 0 HD2 PRO A 35 10.110 1.259 -3.560 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.790 2.763 -4.400 1.00 0.00 H new ATOM 514 N ASN A 36 13.836 0.675 -3.801 1.00 0.00 N ATOM 515 CA ASN A 36 14.951 0.043 -3.134 1.00 0.00 C ATOM 516 C ASN A 36 14.639 -1.392 -2.752 1.00 0.00 C ATOM 517 O ASN A 36 13.479 -1.814 -2.728 1.00 0.00 O ATOM 518 CB ASN A 36 15.250 0.831 -1.846 1.00 0.00 C ATOM 519 CG ASN A 36 16.720 1.160 -1.827 1.00 0.00 C ATOM 520 OD1 ASN A 36 17.550 0.258 -1.786 1.00 0.00 O ATOM 521 ND2 ASN A 36 17.050 2.433 -1.873 1.00 0.00 N ATOM 0 H ASN A 36 12.937 0.221 -3.641 1.00 0.00 H new ATOM 0 HA ASN A 36 15.802 0.039 -3.815 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.656 1.744 -1.812 1.00 0.00 H new ATOM 0 HB3 ASN A 36 14.981 0.243 -0.969 1.00 0.00 H new ATOM 0 HD21 ASN A 36 18.033 2.705 -1.876 1.00 0.00 H new ATOM 0 HD22 ASN A 36 16.323 3.147 -1.906 1.00 0.00 H new ATOM 528 N VAL A 37 15.682 -2.095 -2.323 1.00 0.00 N ATOM 529 CA VAL A 37 15.567 -3.188 -1.379 1.00 0.00 C ATOM 530 C VAL A 37 15.120 -2.664 -0.017 1.00 0.00 C ATOM 531 O VAL A 37 15.871 -2.052 0.749 1.00 0.00 O ATOM 532 CB VAL A 37 16.822 -4.065 -1.377 1.00 0.00 C ATOM 533 CG1 VAL A 37 18.104 -3.301 -1.399 1.00 0.00 C ATOM 534 CG2 VAL A 37 16.824 -5.150 -0.305 1.00 0.00 C ATOM 0 H VAL A 37 16.639 -1.916 -2.627 1.00 0.00 H new ATOM 0 HA VAL A 37 14.778 -3.871 -1.694 1.00 0.00 H new ATOM 0 HB VAL A 37 16.766 -4.585 -2.333 1.00 0.00 H new ATOM 0 HG11 VAL A 37 18.943 -3.997 -1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 37 18.146 -2.686 -2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 37 18.161 -2.661 -0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.747 -5.726 -0.372 1.00 0.00 H new ATOM 0 HG22 VAL A 37 16.755 -4.688 0.680 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.971 -5.812 -0.456 1.00 0.00 H new ATOM 544 N LEU A 38 13.849 -2.911 0.264 1.00 0.00 N ATOM 545 CA LEU A 38 13.241 -2.724 1.561 1.00 0.00 C ATOM 546 C LEU A 38 13.745 -3.852 2.461 1.00 0.00 C ATOM 547 O LEU A 38 13.382 -5.008 2.260 1.00 0.00 O ATOM 548 CB LEU A 38 11.714 -2.748 1.423 1.00 0.00 C ATOM 549 CG LEU A 38 11.121 -1.808 0.356 1.00 0.00 C ATOM 550 CD1 LEU A 38 9.599 -1.949 0.341 1.00 0.00 C ATOM 551 CD2 LEU A 38 11.500 -0.344 0.604 1.00 0.00 C ATOM 0 H LEU A 38 13.194 -3.260 -0.435 1.00 0.00 H new ATOM 0 HA LEU A 38 13.508 -1.761 1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.405 -3.768 1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.277 -2.492 2.388 1.00 0.00 H new ATOM 0 HG LEU A 38 11.536 -2.097 -0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.179 -1.284 -0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.331 -2.979 0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.199 -1.684 1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.060 0.282 -0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 38 11.125 -0.031 1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.585 -0.240 0.583 1.00 0.00 H new ATOM 563 N LYS A 39 14.634 -3.547 3.410 1.00 0.00 N ATOM 564 CA LYS A 39 15.103 -4.553 4.359 1.00 0.00 C ATOM 565 C LYS A 39 14.046 -4.823 5.425 1.00 0.00 C ATOM 566 O LYS A 39 13.207 -3.969 5.726 1.00 0.00 O ATOM 567 CB LYS A 39 16.435 -4.114 4.992 1.00 0.00 C ATOM 568 CG LYS A 39 17.624 -4.373 4.059 1.00 0.00 C ATOM 569 CD LYS A 39 18.694 -3.279 4.088 1.00 0.00 C ATOM 570 CE LYS A 39 18.361 -2.224 3.033 1.00 0.00 C ATOM 571 NZ LYS A 39 19.545 -1.416 2.669 1.00 0.00 N ATOM 0 H LYS A 39 15.039 -2.620 3.539 1.00 0.00 H new ATOM 0 HA LYS A 39 15.277 -5.485 3.821 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.389 -3.053 5.235 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.586 -4.650 5.929 1.00 0.00 H new ATOM 0 HG2 LYS A 39 18.084 -5.323 4.330 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.255 -4.478 3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 39 18.737 -2.822 5.076 1.00 0.00 H new ATOM 0 HD3 LYS A 39 19.676 -3.709 3.893 1.00 0.00 H new ATOM 0 HE2 LYS A 39 17.967 -2.713 2.142 1.00 0.00 H new ATOM 0 HE3 LYS A 39 17.576 -1.569 3.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 19.278 -0.712 1.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 19.906 -0.929 3.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 20.285 -2.038 2.285 1.00 0.00 H new ATOM 585 N GLY A 40 14.171 -5.975 6.077 1.00 0.00 N ATOM 586 CA GLY A 40 13.208 -6.486 7.032 1.00 0.00 C ATOM 587 C GLY A 40 12.278 -7.473 6.338 1.00 0.00 C ATOM 588 O GLY A 40 12.620 -8.026 5.294 1.00 0.00 O ATOM 0 H GLY A 40 14.972 -6.593 5.947 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.724 -6.975 7.858 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.632 -5.665 7.458 1.00 0.00 H new ATOM 592 N ASN A 41 11.110 -7.703 6.934 1.00 0.00 N ATOM 593 CA ASN A 41 10.000 -8.483 6.383 1.00 0.00 C ATOM 594 C ASN A 41 8.672 -7.742 6.530 1.00 0.00 C ATOM 595 O ASN A 41 7.764 -7.949 5.729 1.00 0.00 O ATOM 596 CB ASN A 41 9.883 -9.817 7.121 1.00 0.00 C ATOM 597 CG ASN A 41 8.628 -10.595 6.729 1.00 0.00 C ATOM 598 OD1 ASN A 41 8.441 -11.024 5.593 1.00 0.00 O ATOM 599 ND2 ASN A 41 7.713 -10.763 7.669 1.00 0.00 N ATOM 0 H ASN A 41 10.900 -7.333 7.861 1.00 0.00 H new ATOM 0 HA ASN A 41 10.208 -8.644 5.325 1.00 0.00 H new ATOM 0 HB2 ASN A 41 10.763 -10.424 6.910 1.00 0.00 H new ATOM 0 HB3 ASN A 41 9.872 -9.634 8.196 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.844 -11.252 7.453 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.876 -10.404 8.610 1.00 0.00 H new ATOM 606 N LYS A 42 8.509 -6.898 7.554 1.00 0.00 N ATOM 607 CA LYS A 42 7.285 -6.119 7.681 1.00 0.00 C ATOM 608 C LYS A 42 7.293 -5.028 6.619 1.00 0.00 C ATOM 609 O LYS A 42 8.079 -4.082 6.706 1.00 0.00 O ATOM 610 CB LYS A 42 7.127 -5.522 9.077 1.00 0.00 C ATOM 611 CG LYS A 42 6.557 -6.518 10.101 1.00 0.00 C ATOM 612 CD LYS A 42 5.049 -6.749 9.889 1.00 0.00 C ATOM 613 CE LYS A 42 4.476 -7.618 11.013 1.00 0.00 C ATOM 614 NZ LYS A 42 2.997 -7.622 11.026 1.00 0.00 N ATOM 0 H LYS A 42 9.197 -6.742 8.291 1.00 0.00 H new ATOM 0 HA LYS A 42 6.430 -6.779 7.532 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.097 -5.168 9.426 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.471 -4.653 9.021 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.086 -7.467 10.019 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.730 -6.143 11.110 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.529 -5.791 9.861 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.881 -7.232 8.926 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.838 -8.640 10.899 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.844 -7.255 11.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.657 -8.434 11.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.651 -6.740 11.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.641 -7.695 10.051 1.00 0.00 H new ATOM 628 N LEU A 43 6.422 -5.187 5.631 1.00 0.00 N ATOM 629 CA LEU A 43 6.301 -4.394 4.422 1.00 0.00 C ATOM 630 C LEU A 43 5.156 -3.403 4.628 1.00 0.00 C ATOM 631 O LEU A 43 3.972 -3.715 4.456 1.00 0.00 O ATOM 632 CB LEU A 43 6.102 -5.308 3.191 1.00 0.00 C ATOM 633 CG LEU A 43 6.844 -4.788 1.950 1.00 0.00 C ATOM 634 CD1 LEU A 43 6.545 -5.628 0.709 1.00 0.00 C ATOM 635 CD2 LEU A 43 6.492 -3.335 1.615 1.00 0.00 C ATOM 0 H LEU A 43 5.728 -5.934 5.660 1.00 0.00 H new ATOM 0 HA LEU A 43 7.214 -3.832 4.225 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.453 -6.312 3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.038 -5.387 2.968 1.00 0.00 H new ATOM 0 HG LEU A 43 7.900 -4.858 2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.091 -5.224 -0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.855 -6.658 0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.475 -5.602 0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.045 -3.021 0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.422 -3.255 1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.758 -2.693 2.455 1.00 0.00 H new ATOM 647 N TYR A 44 5.497 -2.198 5.072 1.00 0.00 N ATOM 648 CA TYR A 44 4.520 -1.180 5.407 1.00 0.00 C ATOM 649 C TYR A 44 4.163 -0.391 4.153 1.00 0.00 C ATOM 650 O TYR A 44 5.015 0.284 3.581 1.00 0.00 O ATOM 651 CB TYR A 44 5.057 -0.286 6.531 1.00 0.00 C ATOM 652 CG TYR A 44 5.417 -1.037 7.801 1.00 0.00 C ATOM 653 CD1 TYR A 44 4.451 -1.837 8.443 1.00 0.00 C ATOM 654 CD2 TYR A 44 6.713 -0.939 8.336 1.00 0.00 C ATOM 655 CE1 TYR A 44 4.772 -2.538 9.618 1.00 0.00 C ATOM 656 CE2 TYR A 44 7.043 -1.621 9.520 1.00 0.00 C ATOM 657 CZ TYR A 44 6.066 -2.410 10.178 1.00 0.00 C ATOM 658 OH TYR A 44 6.359 -3.062 11.337 1.00 0.00 O ATOM 0 H TYR A 44 6.464 -1.903 5.209 1.00 0.00 H new ATOM 0 HA TYR A 44 3.605 -1.642 5.779 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.940 0.242 6.171 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.309 0.470 6.768 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.456 -1.912 8.029 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.458 -0.338 7.836 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.036 -3.171 10.091 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.040 -1.544 9.928 1.00 0.00 H new ATOM 0 HH TYR A 44 7.287 -2.875 11.592 1.00 0.00 H new ATOM 668 N VAL A 45 2.905 -0.455 3.718 1.00 0.00 N ATOM 669 CA VAL A 45 2.386 0.384 2.638 1.00 0.00 C ATOM 670 C VAL A 45 1.594 1.540 3.261 1.00 0.00 C ATOM 671 O VAL A 45 0.975 1.355 4.320 1.00 0.00 O ATOM 672 CB VAL A 45 1.529 -0.466 1.679 1.00 0.00 C ATOM 673 CG1 VAL A 45 0.917 0.371 0.554 1.00 0.00 C ATOM 674 CG2 VAL A 45 2.331 -1.621 1.073 1.00 0.00 C ATOM 0 H VAL A 45 2.213 -1.095 4.108 1.00 0.00 H new ATOM 0 HA VAL A 45 3.199 0.804 2.046 1.00 0.00 H new ATOM 0 HB VAL A 45 0.720 -0.875 2.285 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.322 -0.272 -0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.279 1.145 0.982 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.713 0.837 -0.027 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.692 -2.196 0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.177 -1.222 0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.696 -2.268 1.870 1.00 0.00 H new ATOM 684 N LYS A 46 1.583 2.695 2.589 1.00 0.00 N ATOM 685 CA LYS A 46 0.751 3.856 2.877 1.00 0.00 C ATOM 686 C LYS A 46 -0.067 4.101 1.618 1.00 0.00 C ATOM 687 O LYS A 46 0.395 4.796 0.714 1.00 0.00 O ATOM 688 CB LYS A 46 1.636 5.059 3.273 1.00 0.00 C ATOM 689 CG LYS A 46 0.857 6.336 3.623 1.00 0.00 C ATOM 690 CD LYS A 46 0.844 7.483 2.609 1.00 0.00 C ATOM 691 CE LYS A 46 2.186 8.204 2.670 1.00 0.00 C ATOM 692 NZ LYS A 46 2.165 9.459 1.889 1.00 0.00 N ATOM 0 H LYS A 46 2.191 2.848 1.784 1.00 0.00 H new ATOM 0 HA LYS A 46 0.083 3.699 3.724 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.249 4.777 4.129 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.318 5.278 2.451 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.177 6.051 3.815 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.260 6.725 4.558 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.667 7.098 1.605 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.032 8.176 2.832 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.434 8.425 3.708 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.969 7.550 2.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.094 9.923 1.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.952 9.245 0.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.434 10.093 2.270 1.00 0.00 H new ATOM 706 N ALA A 47 -1.201 3.409 1.516 1.00 0.00 N ATOM 707 CA ALA A 47 -1.989 3.284 0.306 1.00 0.00 C ATOM 708 C ALA A 47 -3.127 4.298 0.313 1.00 0.00 C ATOM 709 O ALA A 47 -3.969 4.318 1.212 1.00 0.00 O ATOM 710 CB ALA A 47 -2.518 1.854 0.189 1.00 0.00 C ATOM 0 H ALA A 47 -1.604 2.905 2.306 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.364 3.493 -0.562 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.111 1.759 -0.721 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.680 1.158 0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.141 1.625 1.054 1.00 0.00 H new ATOM 716 N ARG A 48 -3.195 5.095 -0.754 1.00 0.00 N ATOM 717 CA ARG A 48 -4.281 6.034 -0.991 1.00 0.00 C ATOM 718 C ARG A 48 -5.533 5.248 -1.381 1.00 0.00 C ATOM 719 O ARG A 48 -5.471 4.470 -2.338 1.00 0.00 O ATOM 720 CB ARG A 48 -3.830 6.964 -2.127 1.00 0.00 C ATOM 721 CG ARG A 48 -4.711 8.200 -2.325 1.00 0.00 C ATOM 722 CD ARG A 48 -4.290 9.349 -1.406 1.00 0.00 C ATOM 723 NE ARG A 48 -3.040 9.993 -1.822 1.00 0.00 N ATOM 724 CZ ARG A 48 -2.731 11.278 -1.618 1.00 0.00 C ATOM 725 NH1 ARG A 48 -3.453 12.024 -0.788 1.00 0.00 N ATOM 726 NH2 ARG A 48 -1.699 11.820 -2.249 1.00 0.00 N ATOM 0 H ARG A 48 -2.485 5.103 -1.486 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.516 6.624 -0.105 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.809 7.290 -1.929 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.809 6.396 -3.057 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.653 8.525 -3.364 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.751 7.940 -2.130 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.084 10.095 -1.380 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.176 8.970 -0.390 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.352 9.415 -2.305 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.251 11.617 -0.300 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.209 13.003 -0.639 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.140 11.257 -2.890 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.464 12.800 -2.093 1.00 0.00 H new ATOM 740 N PHE A 49 -6.666 5.496 -0.719 1.00 0.00 N ATOM 741 CA PHE A 49 -7.980 5.013 -1.142 1.00 0.00 C ATOM 742 C PHE A 49 -8.889 6.228 -1.267 1.00 0.00 C ATOM 743 O PHE A 49 -9.381 6.728 -0.250 1.00 0.00 O ATOM 744 CB PHE A 49 -8.561 3.967 -0.167 1.00 0.00 C ATOM 745 CG PHE A 49 -7.700 2.729 -0.016 1.00 0.00 C ATOM 746 CD1 PHE A 49 -6.595 2.791 0.833 1.00 0.00 C ATOM 747 CD2 PHE A 49 -7.964 1.529 -0.706 1.00 0.00 C ATOM 748 CE1 PHE A 49 -5.753 1.685 0.977 1.00 0.00 C ATOM 749 CE2 PHE A 49 -7.141 0.403 -0.533 1.00 0.00 C ATOM 750 CZ PHE A 49 -6.017 0.484 0.300 1.00 0.00 C ATOM 0 H PHE A 49 -6.695 6.047 0.139 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.894 4.499 -2.099 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -8.692 4.429 0.812 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -9.551 3.670 -0.514 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.389 3.698 1.382 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -8.809 1.474 -1.376 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.887 1.755 1.618 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.374 -0.522 -1.040 1.00 0.00 H new ATOM 0 HZ PHE A 49 -5.362 -0.367 0.420 1.00 0.00 H new ATOM 760 N MET A 50 -9.069 6.749 -2.483 1.00 0.00 N ATOM 761 CA MET A 50 -9.937 7.910 -2.693 1.00 0.00 C ATOM 762 C MET A 50 -11.386 7.432 -2.808 1.00 0.00 C ATOM 763 O MET A 50 -11.881 7.207 -3.909 1.00 0.00 O ATOM 764 CB MET A 50 -9.509 8.767 -3.899 1.00 0.00 C ATOM 765 CG MET A 50 -8.000 9.046 -4.022 1.00 0.00 C ATOM 766 SD MET A 50 -7.353 10.568 -3.285 1.00 0.00 S ATOM 767 CE MET A 50 -8.106 10.483 -1.652 1.00 0.00 C ATOM 0 H MET A 50 -8.630 6.389 -3.330 1.00 0.00 H new ATOM 0 HA MET A 50 -9.845 8.571 -1.831 1.00 0.00 H new ATOM 0 HB2 MET A 50 -9.843 8.270 -4.810 1.00 0.00 H new ATOM 0 HB3 MET A 50 -10.033 9.722 -3.846 1.00 0.00 H new ATOM 0 HG2 MET A 50 -7.468 8.206 -3.575 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.748 9.055 -5.082 1.00 0.00 H new ATOM 0 HE1 MET A 50 -7.684 11.261 -1.016 1.00 0.00 H new ATOM 0 HE2 MET A 50 -9.182 10.630 -1.740 1.00 0.00 H new ATOM 0 HE3 MET A 50 -7.908 9.506 -1.210 1.00 0.00 H new ATOM 777 N GLY A 51 -12.037 7.213 -1.669 1.00 0.00 N ATOM 778 CA GLY A 51 -13.454 6.881 -1.572 1.00 0.00 C ATOM 779 C GLY A 51 -13.712 5.700 -0.643 1.00 0.00 C ATOM 780 O GLY A 51 -12.778 5.043 -0.163 1.00 0.00 O ATOM 0 H GLY A 51 -11.578 7.263 -0.760 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.004 7.750 -1.212 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.839 6.649 -2.565 1.00 0.00 H new ATOM 784 N TYR A 52 -14.990 5.441 -0.356 1.00 0.00 N ATOM 785 CA TYR A 52 -15.408 4.347 0.504 1.00 0.00 C ATOM 786 C TYR A 52 -15.127 3.016 -0.181 1.00 0.00 C ATOM 787 O TYR A 52 -15.544 2.771 -1.315 1.00 0.00 O ATOM 788 CB TYR A 52 -16.898 4.452 0.869 1.00 0.00 C ATOM 789 CG TYR A 52 -17.150 4.858 2.307 1.00 0.00 C ATOM 790 CD1 TYR A 52 -17.164 3.894 3.339 1.00 0.00 C ATOM 791 CD2 TYR A 52 -17.382 6.208 2.608 1.00 0.00 C ATOM 792 CE1 TYR A 52 -17.406 4.301 4.667 1.00 0.00 C ATOM 793 CE2 TYR A 52 -17.658 6.614 3.924 1.00 0.00 C ATOM 794 CZ TYR A 52 -17.660 5.662 4.964 1.00 0.00 C ATOM 795 OH TYR A 52 -17.892 6.075 6.241 1.00 0.00 O ATOM 0 H TYR A 52 -15.766 5.994 -0.721 1.00 0.00 H new ATOM 0 HA TYR A 52 -14.836 4.408 1.430 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -17.374 5.177 0.208 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -17.376 3.490 0.684 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -16.991 2.852 3.113 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -17.348 6.944 1.819 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -17.398 3.570 5.462 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -17.868 7.651 4.138 1.00 0.00 H new ATOM 0 HH TYR A 52 -18.045 7.043 6.249 1.00 0.00 H new ATOM 805 N THR A 53 -14.489 2.127 0.565 1.00 0.00 N ATOM 806 CA THR A 53 -14.473 0.693 0.354 1.00 0.00 C ATOM 807 C THR A 53 -14.380 0.068 1.738 1.00 0.00 C ATOM 808 O THR A 53 -13.930 0.720 2.687 1.00 0.00 O ATOM 809 CB THR A 53 -13.312 0.306 -0.582 1.00 0.00 C ATOM 810 OG1 THR A 53 -13.271 -1.095 -0.773 1.00 0.00 O ATOM 811 CG2 THR A 53 -11.951 0.795 -0.065 1.00 0.00 C ATOM 0 H THR A 53 -13.939 2.405 1.378 1.00 0.00 H new ATOM 0 HA THR A 53 -15.370 0.328 -0.146 1.00 0.00 H new ATOM 0 HB THR A 53 -13.502 0.801 -1.534 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.676 -1.319 -1.637 1.00 0.00 H new ATOM 0 HG21 THR A 53 -11.168 0.496 -0.762 1.00 0.00 H new ATOM 0 HG22 THR A 53 -11.964 1.881 0.022 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.754 0.355 0.913 1.00 0.00 H new ATOM 819 N LYS A 54 -14.779 -1.197 1.855 1.00 0.00 N ATOM 820 CA LYS A 54 -14.503 -2.037 3.011 1.00 0.00 C ATOM 821 C LYS A 54 -14.143 -3.463 2.541 1.00 0.00 C ATOM 822 O LYS A 54 -14.410 -4.431 3.251 1.00 0.00 O ATOM 823 CB LYS A 54 -15.676 -1.960 4.027 1.00 0.00 C ATOM 824 CG LYS A 54 -15.682 -0.705 4.927 1.00 0.00 C ATOM 825 CD LYS A 54 -16.834 0.264 4.613 1.00 0.00 C ATOM 826 CE LYS A 54 -18.117 -0.235 5.291 1.00 0.00 C ATOM 827 NZ LYS A 54 -19.328 0.532 4.924 1.00 0.00 N ATOM 0 H LYS A 54 -15.315 -1.674 1.130 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.632 -1.673 3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -16.616 -1.998 3.477 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -15.644 -2.844 4.663 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -15.751 -1.015 5.970 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -14.734 -0.180 4.813 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -16.588 1.265 4.966 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -16.982 0.334 3.535 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -18.270 -1.282 5.031 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.985 -0.191 6.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -20.153 0.137 5.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -19.204 1.528 5.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -19.480 0.471 3.897 1.00 0.00 H new ATOM 841 N LEU A 55 -13.609 -3.618 1.321 1.00 0.00 N ATOM 842 CA LEU A 55 -13.206 -4.885 0.713 1.00 0.00 C ATOM 843 C LEU A 55 -11.791 -4.716 0.145 1.00 0.00 C ATOM 844 O LEU A 55 -11.614 -4.630 -1.070 1.00 0.00 O ATOM 845 CB LEU A 55 -14.164 -5.300 -0.426 1.00 0.00 C ATOM 846 CG LEU A 55 -15.611 -5.731 -0.132 1.00 0.00 C ATOM 847 CD1 LEU A 55 -15.669 -6.849 0.912 1.00 0.00 C ATOM 848 CD2 LEU A 55 -16.527 -4.562 0.252 1.00 0.00 C ATOM 0 H LEU A 55 -13.440 -2.822 0.705 1.00 0.00 H new ATOM 0 HA LEU A 55 -13.235 -5.665 1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -14.216 -4.461 -1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -13.688 -6.124 -0.958 1.00 0.00 H new ATOM 0 HG LEU A 55 -15.998 -6.126 -1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -16.708 -7.125 1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -15.121 -7.717 0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -15.220 -6.502 1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -17.532 -4.936 0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -16.141 -4.077 1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.559 -3.841 -0.565 1.00 0.00 H new ATOM 860 N THR A 56 -10.771 -4.640 0.998 1.00 0.00 N ATOM 861 CA THR A 56 -9.377 -4.684 0.569 1.00 0.00 C ATOM 862 C THR A 56 -8.976 -6.152 0.396 1.00 0.00 C ATOM 863 O THR A 56 -9.183 -6.934 1.335 1.00 0.00 O ATOM 864 CB THR A 56 -8.477 -4.048 1.647 1.00 0.00 C ATOM 865 OG1 THR A 56 -9.024 -2.853 2.166 1.00 0.00 O ATOM 866 CG2 THR A 56 -7.090 -3.747 1.081 1.00 0.00 C ATOM 0 H THR A 56 -10.889 -4.546 2.007 1.00 0.00 H new ATOM 0 HA THR A 56 -9.260 -4.136 -0.366 1.00 0.00 H new ATOM 0 HB THR A 56 -8.404 -4.774 2.457 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.422 -2.486 2.846 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.470 -3.299 1.857 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.628 -4.673 0.737 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.181 -3.055 0.244 1.00 0.00 H new ATOM 874 N VAL A 57 -8.300 -6.518 -0.701 1.00 0.00 N ATOM 875 CA VAL A 57 -7.741 -7.861 -0.883 1.00 0.00 C ATOM 876 C VAL A 57 -6.239 -7.781 -1.209 1.00 0.00 C ATOM 877 O VAL A 57 -5.767 -6.910 -1.950 1.00 0.00 O ATOM 878 CB VAL A 57 -8.550 -8.653 -1.934 1.00 0.00 C ATOM 879 CG1 VAL A 57 -8.041 -10.100 -2.059 1.00 0.00 C ATOM 880 CG2 VAL A 57 -10.055 -8.665 -1.611 1.00 0.00 C ATOM 0 H VAL A 57 -8.126 -5.891 -1.486 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.827 -8.415 0.052 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.405 -8.141 -2.885 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.631 -10.630 -2.806 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.994 -10.093 -2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.137 -10.604 -1.097 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.587 -9.232 -2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.215 -9.129 -0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.431 -7.642 -1.591 1.00 0.00 H new ATOM 890 N ILE A 58 -5.486 -8.730 -0.649 1.00 0.00 N ATOM 891 CA ILE A 58 -4.052 -8.929 -0.781 1.00 0.00 C ATOM 892 C ILE A 58 -3.921 -10.441 -0.996 1.00 0.00 C ATOM 893 O ILE A 58 -4.047 -11.199 -0.041 1.00 0.00 O ATOM 894 CB ILE A 58 -3.318 -8.439 0.496 1.00 0.00 C ATOM 895 CG1 ILE A 58 -3.491 -6.925 0.771 1.00 0.00 C ATOM 896 CG2 ILE A 58 -1.813 -8.756 0.412 1.00 0.00 C ATOM 897 CD1 ILE A 58 -3.362 -6.574 2.262 1.00 0.00 C ATOM 0 H ILE A 58 -5.904 -9.435 -0.042 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.600 -8.365 -1.597 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.782 -8.978 1.322 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.743 -6.369 0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.468 -6.604 0.410 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.316 -8.405 1.316 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.673 -9.833 0.316 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.384 -8.255 -0.456 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.492 -5.500 2.396 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.127 -7.105 2.828 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.375 -6.867 2.621 1.00 0.00 H new ATOM 909 N THR A 59 -3.786 -10.887 -2.236 1.00 0.00 N ATOM 910 CA THR A 59 -3.890 -12.269 -2.676 1.00 0.00 C ATOM 911 C THR A 59 -2.806 -13.162 -2.043 1.00 0.00 C ATOM 912 O THR A 59 -3.130 -14.226 -1.502 1.00 0.00 O ATOM 913 CB THR A 59 -3.894 -12.229 -4.214 1.00 0.00 C ATOM 914 OG1 THR A 59 -4.953 -11.381 -4.633 1.00 0.00 O ATOM 915 CG2 THR A 59 -4.063 -13.591 -4.877 1.00 0.00 C ATOM 0 H THR A 59 -3.588 -10.253 -3.010 1.00 0.00 H new ATOM 0 HA THR A 59 -4.811 -12.742 -2.335 1.00 0.00 H new ATOM 0 HB THR A 59 -2.916 -11.860 -4.523 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.972 -11.340 -5.612 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.055 -13.472 -5.960 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.244 -14.245 -4.578 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.011 -14.031 -4.568 1.00 0.00 H new ATOM 923 N GLY A 60 -1.541 -12.716 -2.037 1.00 0.00 N ATOM 924 CA GLY A 60 -0.429 -13.447 -1.425 1.00 0.00 C ATOM 925 C GLY A 60 -0.099 -14.754 -2.144 1.00 0.00 C ATOM 926 O GLY A 60 -0.649 -15.016 -3.217 1.00 0.00 O ATOM 0 H GLY A 60 -1.262 -11.831 -2.461 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.456 -12.810 -1.418 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.674 -13.664 -0.385 1.00 0.00 H new ATOM 930 N LYS A 61 0.823 -15.556 -1.584 1.00 0.00 N ATOM 931 CA LYS A 61 1.160 -16.861 -2.175 1.00 0.00 C ATOM 932 C LYS A 61 -0.014 -17.837 -2.086 1.00 0.00 C ATOM 933 O LYS A 61 -0.218 -18.644 -2.987 1.00 0.00 O ATOM 934 CB LYS A 61 2.519 -17.398 -1.661 1.00 0.00 C ATOM 935 CG LYS A 61 2.586 -18.381 -0.472 1.00 0.00 C ATOM 936 CD LYS A 61 3.443 -17.968 0.740 1.00 0.00 C ATOM 937 CE LYS A 61 4.853 -17.400 0.481 1.00 0.00 C ATOM 938 NZ LYS A 61 5.851 -18.370 -0.006 1.00 0.00 N ATOM 0 H LYS A 61 1.341 -15.328 -0.736 1.00 0.00 H new ATOM 0 HA LYS A 61 1.321 -16.728 -3.245 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.011 -17.883 -2.504 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.124 -16.532 -1.394 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.569 -18.556 -0.122 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.964 -19.334 -0.843 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.883 -17.222 1.304 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.550 -18.841 1.384 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.772 -16.593 -0.247 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.223 -16.959 1.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.762 -17.889 -0.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.966 -19.130 0.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.529 -18.776 -0.908 1.00 0.00 H new ATOM 952 N ASP A 62 -0.847 -17.681 -1.054 1.00 0.00 N ATOM 953 CA ASP A 62 -2.034 -18.504 -0.840 1.00 0.00 C ATOM 954 C ASP A 62 -3.067 -18.348 -1.961 1.00 0.00 C ATOM 955 O ASP A 62 -3.956 -19.191 -2.077 1.00 0.00 O ATOM 956 CB ASP A 62 -2.729 -18.116 0.472 1.00 0.00 C ATOM 957 CG ASP A 62 -2.239 -18.778 1.747 1.00 0.00 C ATOM 958 OD1 ASP A 62 -1.913 -19.982 1.733 1.00 0.00 O ATOM 959 OD2 ASP A 62 -2.275 -18.075 2.782 1.00 0.00 O ATOM 0 H ASP A 62 -0.712 -16.970 -0.336 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.681 -19.535 -0.814 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.636 -17.037 0.596 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.792 -18.334 0.367 1.00 0.00 H new ATOM 964 N GLY A 63 -3.017 -17.275 -2.758 1.00 0.00 N ATOM 965 CA GLY A 63 -3.972 -17.082 -3.840 1.00 0.00 C ATOM 966 C GLY A 63 -5.355 -16.679 -3.331 1.00 0.00 C ATOM 967 O GLY A 63 -6.359 -16.985 -3.977 1.00 0.00 O ATOM 0 H GLY A 63 -2.324 -16.532 -2.670 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.599 -16.314 -4.517 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.054 -18.003 -4.417 1.00 0.00 H new ATOM 971 N LYS A 64 -5.444 -16.039 -2.158 1.00 0.00 N ATOM 972 CA LYS A 64 -6.712 -15.704 -1.513 1.00 0.00 C ATOM 973 C LYS A 64 -6.680 -14.338 -0.850 1.00 0.00 C ATOM 974 O LYS A 64 -7.000 -13.359 -1.525 1.00 0.00 O ATOM 975 CB LYS A 64 -7.184 -16.832 -0.611 1.00 0.00 C ATOM 976 CG LYS A 64 -6.075 -17.465 0.218 1.00 0.00 C ATOM 977 CD LYS A 64 -6.489 -17.703 1.661 1.00 0.00 C ATOM 978 CE LYS A 64 -6.012 -19.093 2.124 1.00 0.00 C ATOM 979 NZ LYS A 64 -5.891 -19.229 3.590 1.00 0.00 N ATOM 0 H LYS A 64 -4.627 -15.738 -1.628 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.473 -15.609 -2.288 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.953 -16.449 0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.651 -17.603 -1.224 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.784 -18.413 -0.234 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.197 -16.819 0.197 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.063 -16.931 2.302 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.573 -17.632 1.753 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.709 -19.846 1.756 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.044 -19.304 1.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.566 -20.189 3.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.205 -18.534 3.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.817 -19.060 4.032 1.00 0.00 H new ATOM 993 N ASN A 65 -6.245 -14.214 0.408 1.00 0.00 N ATOM 994 CA ASN A 65 -6.464 -12.977 1.154 1.00 0.00 C ATOM 995 C ASN A 65 -5.626 -12.976 2.430 1.00 0.00 C ATOM 996 O ASN A 65 -6.084 -13.391 3.490 1.00 0.00 O ATOM 997 CB ASN A 65 -7.975 -12.804 1.460 1.00 0.00 C ATOM 998 CG ASN A 65 -8.442 -11.365 1.504 1.00 0.00 C ATOM 999 OD1 ASN A 65 -9.319 -10.972 0.752 1.00 0.00 O ATOM 1000 ND2 ASN A 65 -7.889 -10.537 2.369 1.00 0.00 N ATOM 0 H ASN A 65 -5.748 -14.942 0.921 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.146 -12.128 0.550 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.550 -13.337 0.703 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.196 -13.275 2.418 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.194 -9.565 2.411 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.156 -10.869 2.996 1.00 0.00 H new ATOM 1007 N LEU A 66 -4.390 -12.488 2.371 1.00 0.00 N ATOM 1008 CA LEU A 66 -3.480 -12.457 3.516 1.00 0.00 C ATOM 1009 C LEU A 66 -4.046 -11.652 4.684 1.00 0.00 C ATOM 1010 O LEU A 66 -3.751 -11.959 5.838 1.00 0.00 O ATOM 1011 CB LEU A 66 -2.118 -11.876 3.118 1.00 0.00 C ATOM 1012 CG LEU A 66 -1.395 -12.655 2.008 1.00 0.00 C ATOM 1013 CD1 LEU A 66 0.017 -12.073 1.846 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -1.323 -14.164 2.286 1.00 0.00 C ATOM 0 H LEU A 66 -3.986 -12.099 1.519 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.358 -13.491 3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.258 -10.846 2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.478 -11.846 4.000 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.967 -12.544 1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.546 -12.614 1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.053 -11.019 1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.561 -12.172 2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.802 -14.660 1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.784 -14.337 3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.332 -14.567 2.370 1.00 0.00 H new ATOM 1026 N LEU A 67 -4.902 -10.662 4.404 1.00 0.00 N ATOM 1027 CA LEU A 67 -5.582 -9.877 5.428 1.00 0.00 C ATOM 1028 C LEU A 67 -6.535 -10.728 6.284 1.00 0.00 C ATOM 1029 O LEU A 67 -6.914 -10.304 7.377 1.00 0.00 O ATOM 1030 CB LEU A 67 -6.336 -8.749 4.722 1.00 0.00 C ATOM 1031 CG LEU A 67 -6.584 -7.486 5.553 1.00 0.00 C ATOM 1032 CD1 LEU A 67 -5.363 -6.564 5.587 1.00 0.00 C ATOM 1033 CD2 LEU A 67 -7.784 -6.739 4.957 1.00 0.00 C ATOM 0 H LEU A 67 -5.141 -10.385 3.452 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.844 -9.473 6.121 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.778 -8.469 3.829 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.299 -9.135 4.388 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.785 -7.786 6.581 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.589 -5.683 6.188 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.518 -7.095 6.025 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.111 -6.256 4.572 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.975 -5.836 5.537 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.567 -6.468 3.924 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.664 -7.382 4.986 1.00 0.00 H new ATOM 1045 N TYR A 68 -6.939 -11.906 5.785 1.00 0.00 N ATOM 1046 CA TYR A 68 -7.649 -12.926 6.537 1.00 0.00 C ATOM 1047 C TYR A 68 -6.666 -13.969 7.093 1.00 0.00 C ATOM 1048 O TYR A 68 -6.908 -14.460 8.195 1.00 0.00 O ATOM 1049 CB TYR A 68 -8.729 -13.554 5.636 1.00 0.00 C ATOM 1050 CG TYR A 68 -9.549 -14.693 6.222 1.00 0.00 C ATOM 1051 CD1 TYR A 68 -9.834 -14.771 7.601 1.00 0.00 C ATOM 1052 CD2 TYR A 68 -9.998 -15.716 5.364 1.00 0.00 C ATOM 1053 CE1 TYR A 68 -10.484 -15.900 8.132 1.00 0.00 C ATOM 1054 CE2 TYR A 68 -10.630 -16.854 5.889 1.00 0.00 C ATOM 1055 CZ TYR A 68 -10.864 -16.956 7.278 1.00 0.00 C ATOM 1056 OH TYR A 68 -11.437 -18.071 7.804 1.00 0.00 O ATOM 0 H TYR A 68 -6.770 -12.174 4.815 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.146 -12.480 7.399 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.417 -12.764 5.333 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -8.243 -13.919 4.731 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -9.551 -13.958 8.254 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.855 -15.624 4.297 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -10.691 -15.958 9.190 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.938 -17.652 5.230 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.641 -18.704 7.085 1.00 0.00 H new ATOM 1066 N ASN A 69 -5.559 -14.284 6.404 1.00 0.00 N ATOM 1067 CA ASN A 69 -4.566 -15.254 6.887 1.00 0.00 C ATOM 1068 C ASN A 69 -4.019 -14.795 8.238 1.00 0.00 C ATOM 1069 O ASN A 69 -3.863 -15.606 9.147 1.00 0.00 O ATOM 1070 CB ASN A 69 -3.438 -15.463 5.862 1.00 0.00 C ATOM 1071 CG ASN A 69 -2.522 -16.612 6.285 1.00 0.00 C ATOM 1072 OD1 ASN A 69 -1.849 -16.552 7.308 1.00 0.00 O ATOM 1073 ND2 ASN A 69 -2.408 -17.664 5.501 1.00 0.00 N ATOM 0 H ASN A 69 -5.328 -13.875 5.499 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.053 -16.220 7.017 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.866 -15.676 4.882 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -2.856 -14.546 5.763 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.765 -18.417 5.748 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -2.962 -17.726 4.647 1.00 0.00 H new ATOM 1080 N GLY A 70 -3.809 -13.483 8.380 1.00 0.00 N ATOM 1081 CA GLY A 70 -3.640 -12.825 9.664 1.00 0.00 C ATOM 1082 C GLY A 70 -2.281 -12.165 9.839 1.00 0.00 C ATOM 1083 O GLY A 70 -2.110 -11.438 10.815 1.00 0.00 O ATOM 0 H GLY A 70 -3.752 -12.844 7.587 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.418 -12.071 9.781 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -3.784 -13.557 10.459 1.00 0.00 H new ATOM 1087 N THR A 71 -1.328 -12.383 8.927 1.00 0.00 N ATOM 1088 CA THR A 71 -0.047 -11.678 9.010 1.00 0.00 C ATOM 1089 C THR A 71 -0.252 -10.221 8.579 1.00 0.00 C ATOM 1090 O THR A 71 0.116 -9.290 9.296 1.00 0.00 O ATOM 1091 CB THR A 71 1.005 -12.370 8.132 1.00 0.00 C ATOM 1092 OG1 THR A 71 1.005 -13.773 8.318 1.00 0.00 O ATOM 1093 CG2 THR A 71 2.428 -11.880 8.414 1.00 0.00 C ATOM 0 H THR A 71 -1.416 -13.027 8.141 1.00 0.00 H new ATOM 0 HA THR A 71 0.318 -11.698 10.037 1.00 0.00 H new ATOM 0 HB THR A 71 0.724 -12.116 7.110 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.686 -14.179 7.742 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.129 -12.404 7.764 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.488 -10.808 8.224 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.681 -12.078 9.455 1.00 0.00 H new ATOM 1101 N ALA A 72 -0.855 -10.025 7.400 1.00 0.00 N ATOM 1102 CA ALA A 72 -1.243 -8.709 6.932 1.00 0.00 C ATOM 1103 C ALA A 72 -2.479 -8.262 7.707 1.00 0.00 C ATOM 1104 O ALA A 72 -3.420 -9.030 7.922 1.00 0.00 O ATOM 1105 CB ALA A 72 -1.542 -8.754 5.429 1.00 0.00 C ATOM 0 H ALA A 72 -1.083 -10.779 6.752 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.432 -8.000 7.097 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.833 -7.761 5.086 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.651 -9.078 4.890 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.355 -9.455 5.241 1.00 0.00 H new ATOM 1111 N LYS A 73 -2.515 -6.989 8.078 1.00 0.00 N ATOM 1112 CA LYS A 73 -3.598 -6.371 8.829 1.00 0.00 C ATOM 1113 C LYS A 73 -3.470 -4.854 8.661 1.00 0.00 C ATOM 1114 O LYS A 73 -2.436 -4.367 8.191 1.00 0.00 O ATOM 1115 CB LYS A 73 -3.474 -6.869 10.287 1.00 0.00 C ATOM 1116 CG LYS A 73 -4.325 -6.086 11.284 1.00 0.00 C ATOM 1117 CD LYS A 73 -4.566 -6.809 12.618 1.00 0.00 C ATOM 1118 CE LYS A 73 -6.032 -6.675 13.058 1.00 0.00 C ATOM 1119 NZ LYS A 73 -6.913 -7.666 12.399 1.00 0.00 N ATOM 0 H LYS A 73 -1.764 -6.336 7.856 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.595 -6.639 8.480 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.760 -7.920 10.327 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.429 -6.811 10.592 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -3.841 -5.130 11.485 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.289 -5.865 10.825 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.308 -7.863 12.517 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.913 -6.393 13.385 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -6.097 -6.798 14.139 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.386 -5.670 12.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.891 -7.535 12.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -6.874 -7.534 11.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.594 -8.627 12.637 1.00 0.00 H new ATOM 1133 N MET A 74 -4.512 -4.090 8.989 1.00 0.00 N ATOM 1134 CA MET A 74 -4.399 -2.670 9.217 1.00 0.00 C ATOM 1135 C MET A 74 -4.251 -2.378 10.716 1.00 0.00 C ATOM 1136 O MET A 74 -4.930 -2.981 11.550 1.00 0.00 O ATOM 1137 CB MET A 74 -5.623 -2.004 8.606 1.00 0.00 C ATOM 1138 CG MET A 74 -6.876 -2.228 9.451 1.00 0.00 C ATOM 1139 SD MET A 74 -8.470 -1.926 8.647 1.00 0.00 S ATOM 1140 CE MET A 74 -8.031 -0.382 7.832 1.00 0.00 C ATOM 0 H MET A 74 -5.459 -4.452 9.102 1.00 0.00 H new ATOM 0 HA MET A 74 -3.505 -2.265 8.743 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.441 -0.934 8.504 1.00 0.00 H new ATOM 0 HB3 MET A 74 -5.787 -2.397 7.603 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.865 -3.258 9.807 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.812 -1.586 10.330 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.939 0.147 7.542 1.00 0.00 H new ATOM 0 HE2 MET A 74 -7.452 0.238 8.516 1.00 0.00 H new ATOM 0 HE3 MET A 74 -7.436 -0.596 6.944 1.00 0.00 H new ATOM 1150 N PHE A 75 -3.416 -1.396 11.036 1.00 0.00 N ATOM 1151 CA PHE A 75 -3.098 -0.887 12.358 1.00 0.00 C ATOM 1152 C PHE A 75 -3.145 0.655 12.418 1.00 0.00 C ATOM 1153 O PHE A 75 -2.969 1.224 13.496 1.00 0.00 O ATOM 1154 CB PHE A 75 -1.725 -1.436 12.768 1.00 0.00 C ATOM 1155 CG PHE A 75 -0.536 -0.966 11.943 1.00 0.00 C ATOM 1156 CD1 PHE A 75 -0.298 -1.500 10.659 1.00 0.00 C ATOM 1157 CD2 PHE A 75 0.369 -0.031 12.483 1.00 0.00 C ATOM 1158 CE1 PHE A 75 0.805 -1.064 9.904 1.00 0.00 C ATOM 1159 CE2 PHE A 75 1.511 0.344 11.753 1.00 0.00 C ATOM 1160 CZ PHE A 75 1.725 -0.173 10.467 1.00 0.00 C ATOM 0 H PHE A 75 -2.902 -0.895 10.312 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.854 -1.227 13.066 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.546 -1.167 13.809 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.764 -2.524 12.722 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.966 -2.246 10.255 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.186 0.398 13.457 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.942 -1.416 8.892 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.224 1.031 12.183 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.603 0.118 9.909 1.00 0.00 H new ATOM 1170 N LYS A 76 -3.401 1.352 11.300 1.00 0.00 N ATOM 1171 CA LYS A 76 -3.380 2.810 11.202 1.00 0.00 C ATOM 1172 C LYS A 76 -4.204 3.180 9.982 1.00 0.00 C ATOM 1173 O LYS A 76 -3.994 2.561 8.932 1.00 0.00 O ATOM 1174 CB LYS A 76 -1.918 3.283 11.022 1.00 0.00 C ATOM 1175 CG LYS A 76 -1.777 4.805 10.874 1.00 0.00 C ATOM 1176 CD LYS A 76 -0.328 5.206 10.562 1.00 0.00 C ATOM 1177 CE LYS A 76 -0.191 6.736 10.513 1.00 0.00 C ATOM 1178 NZ LYS A 76 0.548 7.256 11.680 1.00 0.00 N ATOM 0 H LYS A 76 -3.634 0.899 10.417 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.787 3.280 12.097 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.331 2.954 11.879 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.495 2.800 10.141 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.433 5.157 10.078 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.101 5.293 11.793 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.340 4.799 11.322 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.023 4.777 9.607 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.324 7.026 9.597 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.182 7.189 10.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.620 8.291 11.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.043 7.001 12.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.502 6.843 11.699 1.00 0.00 H new ATOM 1192 N SER A 77 -5.073 4.183 10.057 1.00 0.00 N ATOM 1193 CA SER A 77 -5.536 4.895 8.871 1.00 0.00 C ATOM 1194 C SER A 77 -5.412 6.402 9.140 1.00 0.00 C ATOM 1195 O SER A 77 -5.329 6.797 10.303 1.00 0.00 O ATOM 1196 CB SER A 77 -6.938 4.429 8.462 1.00 0.00 C ATOM 1197 OG SER A 77 -7.917 4.628 9.464 1.00 0.00 O ATOM 0 H SER A 77 -5.473 4.523 10.932 1.00 0.00 H new ATOM 0 HA SER A 77 -4.915 4.668 8.004 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.240 4.962 7.560 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.900 3.370 8.209 1.00 0.00 H new ATOM 0 HG SER A 77 -8.786 4.312 9.140 1.00 0.00 H new ATOM 1203 N ASP A 78 -5.415 7.237 8.099 1.00 0.00 N ATOM 1204 CA ASP A 78 -5.399 8.701 8.218 1.00 0.00 C ATOM 1205 C ASP A 78 -6.465 9.281 7.283 1.00 0.00 C ATOM 1206 O ASP A 78 -6.872 8.606 6.333 1.00 0.00 O ATOM 1207 CB ASP A 78 -3.990 9.241 7.917 1.00 0.00 C ATOM 1208 CG ASP A 78 -3.687 10.549 8.644 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -4.563 11.435 8.721 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -2.582 10.651 9.230 1.00 0.00 O ATOM 0 H ASP A 78 -5.429 6.912 7.132 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.639 9.008 9.236 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.251 8.493 8.203 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.888 9.396 6.843 1.00 0.00 H new ATOM 1215 N ALA A 79 -6.952 10.495 7.544 1.00 0.00 N ATOM 1216 CA ALA A 79 -8.108 11.088 6.876 1.00 0.00 C ATOM 1217 C ALA A 79 -7.630 12.068 5.814 1.00 0.00 C ATOM 1218 O ALA A 79 -7.026 13.094 6.135 1.00 0.00 O ATOM 1219 CB ALA A 79 -9.018 11.765 7.908 1.00 0.00 C ATOM 0 H ALA A 79 -6.540 11.109 8.246 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.693 10.312 6.382 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.878 12.205 7.402 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.362 11.025 8.631 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.462 12.547 8.426 1.00 0.00 H new ATOM 1225 N ILE A 80 -7.858 11.754 4.539 1.00 0.00 N ATOM 1226 CA ILE A 80 -7.408 12.593 3.438 1.00 0.00 C ATOM 1227 C ILE A 80 -8.499 13.626 3.212 1.00 0.00 C ATOM 1228 O ILE A 80 -9.469 13.401 2.481 1.00 0.00 O ATOM 1229 CB ILE A 80 -7.071 11.794 2.166 1.00 0.00 C ATOM 1230 CG1 ILE A 80 -6.081 10.649 2.458 1.00 0.00 C ATOM 1231 CG2 ILE A 80 -6.443 12.746 1.128 1.00 0.00 C ATOM 1232 CD1 ILE A 80 -6.159 9.579 1.370 1.00 0.00 C ATOM 0 H ILE A 80 -8.358 10.915 4.245 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.465 13.078 3.693 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.994 11.357 1.785 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.067 11.044 2.515 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.305 10.206 3.428 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.201 12.189 0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.150 13.539 0.887 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.533 13.184 1.539 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.453 8.780 1.594 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.169 9.171 1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.911 10.022 0.405 1.00 0.00 H new ATOM 1244 N LEU A 81 -8.329 14.759 3.874 1.00 0.00 N ATOM 1245 CA LEU A 81 -9.092 15.957 3.561 1.00 0.00 C ATOM 1246 C LEU A 81 -8.546 16.529 2.254 1.00 0.00 C ATOM 1247 O LEU A 81 -7.330 16.654 2.101 1.00 0.00 O ATOM 1248 CB LEU A 81 -9.027 16.999 4.683 1.00 0.00 C ATOM 1249 CG LEU A 81 -9.458 16.514 6.077 1.00 0.00 C ATOM 1250 CD1 LEU A 81 -9.599 17.739 6.984 1.00 0.00 C ATOM 1251 CD2 LEU A 81 -10.785 15.746 6.053 1.00 0.00 C ATOM 0 H LEU A 81 -7.663 14.874 4.638 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.145 15.694 3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.004 17.370 4.749 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.655 17.845 4.404 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.699 15.825 6.447 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.905 17.421 7.981 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.642 18.258 7.046 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.351 18.412 6.572 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.040 15.428 7.064 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.573 16.393 5.667 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.687 14.871 5.411 1.00 0.00 H new ATOM 1263 N GLY A 82 -9.408 16.851 1.290 1.00 0.00 N ATOM 1264 CA GLY A 82 -8.974 17.239 -0.045 1.00 0.00 C ATOM 1265 C GLY A 82 -8.365 18.635 -0.033 1.00 0.00 C ATOM 1266 O GLY A 82 -7.160 18.805 -0.240 1.00 0.00 O ATOM 0 H GLY A 82 -10.420 16.849 1.415 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.242 16.522 -0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.822 17.213 -0.729 1.00 0.00 H new ATOM 1270 N GLN A 83 -9.217 19.635 0.181 1.00 0.00 N ATOM 1271 CA GLN A 83 -8.850 21.032 0.378 1.00 0.00 C ATOM 1272 C GLN A 83 -9.938 21.723 1.199 1.00 0.00 C ATOM 1273 O GLN A 83 -9.643 22.459 2.142 1.00 0.00 O ATOM 1274 CB GLN A 83 -8.656 21.722 -0.989 1.00 0.00 C ATOM 1275 CG GLN A 83 -8.660 23.247 -0.842 1.00 0.00 C ATOM 1276 CD GLN A 83 -8.063 23.970 -2.037 1.00 0.00 C ATOM 1277 OE1 GLN A 83 -8.755 24.235 -3.016 1.00 0.00 O ATOM 1278 NE2 GLN A 83 -6.790 24.324 -1.977 1.00 0.00 N ATOM 0 H GLN A 83 -10.225 19.485 0.223 1.00 0.00 H new ATOM 0 HA GLN A 83 -7.908 21.098 0.922 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.714 21.399 -1.433 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -9.451 21.417 -1.670 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.685 23.588 -0.696 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -8.102 23.520 0.054 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -6.235 24.093 -1.153 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -6.364 24.828 -2.754 1.00 0.00 H new ATOM 1287 N ASN A 84 -11.200 21.476 0.850 1.00 0.00 N ATOM 1288 CA ASN A 84 -12.358 22.160 1.410 1.00 0.00 C ATOM 1289 C ASN A 84 -12.962 21.332 2.551 1.00 0.00 C ATOM 1290 O ASN A 84 -14.182 21.249 2.679 1.00 0.00 O ATOM 1291 CB ASN A 84 -13.374 22.445 0.286 1.00 0.00 C ATOM 1292 CG ASN A 84 -12.820 23.375 -0.779 1.00 0.00 C ATOM 1293 OD1 ASN A 84 -12.917 24.591 -0.646 1.00 0.00 O ATOM 1294 ND2 ASN A 84 -12.211 22.847 -1.826 1.00 0.00 N ATOM 0 H ASN A 84 -11.448 20.776 0.151 1.00 0.00 H new ATOM 0 HA ASN A 84 -12.059 23.116 1.839 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -13.671 21.504 -0.177 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.273 22.886 0.717 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -11.811 23.453 -2.542 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -12.141 21.834 -1.918 1.00 0.00 H new ATOM 1301 N LYS A 85 -12.136 20.652 3.356 1.00 0.00 N ATOM 1302 CA LYS A 85 -12.518 19.756 4.456 1.00 0.00 C ATOM 1303 C LYS A 85 -13.346 18.543 4.021 1.00 0.00 C ATOM 1304 O LYS A 85 -13.870 17.818 4.866 1.00 0.00 O ATOM 1305 CB LYS A 85 -13.164 20.558 5.600 1.00 0.00 C ATOM 1306 CG LYS A 85 -12.190 21.583 6.200 1.00 0.00 C ATOM 1307 CD LYS A 85 -12.791 22.341 7.392 1.00 0.00 C ATOM 1308 CE LYS A 85 -13.597 23.585 6.983 1.00 0.00 C ATOM 1309 NZ LYS A 85 -14.872 23.288 6.300 1.00 0.00 N ATOM 0 H LYS A 85 -11.123 20.716 3.251 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.598 19.311 4.836 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -14.050 21.073 5.228 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -13.498 19.874 6.380 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.282 21.072 6.520 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -11.899 22.297 5.429 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -13.438 21.666 7.953 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -11.987 22.643 8.063 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -13.805 24.177 7.874 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.983 24.202 6.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -15.530 24.083 6.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -14.697 23.148 5.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -15.288 22.424 6.702 1.00 0.00 H new ATOM 1323 N VAL A 86 -13.437 18.312 2.718 1.00 0.00 N ATOM 1324 CA VAL A 86 -14.076 17.159 2.108 1.00 0.00 C ATOM 1325 C VAL A 86 -13.186 15.970 2.422 1.00 0.00 C ATOM 1326 O VAL A 86 -12.006 16.013 2.067 1.00 0.00 O ATOM 1327 CB VAL A 86 -14.178 17.367 0.582 1.00 0.00 C ATOM 1328 CG1 VAL A 86 -14.986 16.250 -0.087 1.00 0.00 C ATOM 1329 CG2 VAL A 86 -14.802 18.723 0.232 1.00 0.00 C ATOM 0 H VAL A 86 -13.049 18.955 2.028 1.00 0.00 H new ATOM 0 HA VAL A 86 -15.086 17.006 2.489 1.00 0.00 H new ATOM 0 HB VAL A 86 -13.157 17.343 0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -15.036 16.430 -1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -14.503 15.291 0.098 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -15.995 16.233 0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -14.856 18.830 -0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -15.806 18.781 0.653 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -14.189 19.523 0.646 1.00 0.00 H new ATOM 1339 N VAL A 87 -13.714 14.928 3.055 1.00 0.00 N ATOM 1340 CA VAL A 87 -13.018 13.656 3.163 1.00 0.00 C ATOM 1341 C VAL A 87 -13.057 13.048 1.755 1.00 0.00 C ATOM 1342 O VAL A 87 -14.082 12.506 1.326 1.00 0.00 O ATOM 1343 CB VAL A 87 -13.665 12.770 4.247 1.00 0.00 C ATOM 1344 CG1 VAL A 87 -12.800 11.531 4.488 1.00 0.00 C ATOM 1345 CG2 VAL A 87 -13.824 13.502 5.591 1.00 0.00 C ATOM 0 H VAL A 87 -14.630 14.943 3.504 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.983 13.764 3.487 1.00 0.00 H new ATOM 0 HB VAL A 87 -14.655 12.500 3.879 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -13.262 10.909 5.255 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -12.713 10.962 3.562 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -11.808 11.839 4.819 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -14.284 12.833 6.318 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -12.844 13.813 5.954 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -14.456 14.380 5.455 1.00 0.00 H new ATOM 1355 N ILE A 88 -11.988 13.218 0.978 1.00 0.00 N ATOM 1356 CA ILE A 88 -11.892 12.647 -0.366 1.00 0.00 C ATOM 1357 C ILE A 88 -11.471 11.179 -0.307 1.00 0.00 C ATOM 1358 O ILE A 88 -11.670 10.443 -1.269 1.00 0.00 O ATOM 1359 CB ILE A 88 -10.967 13.485 -1.271 1.00 0.00 C ATOM 1360 CG1 ILE A 88 -9.534 13.652 -0.727 1.00 0.00 C ATOM 1361 CG2 ILE A 88 -11.623 14.857 -1.498 1.00 0.00 C ATOM 1362 CD1 ILE A 88 -8.540 14.084 -1.813 1.00 0.00 C ATOM 0 H ILE A 88 -11.167 13.753 1.260 1.00 0.00 H new ATOM 0 HA ILE A 88 -12.883 12.680 -0.819 1.00 0.00 H new ATOM 0 HB ILE A 88 -10.852 12.943 -2.210 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -9.537 14.392 0.074 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -9.203 12.710 -0.290 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -10.983 15.465 -2.137 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -12.592 14.722 -1.979 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -11.760 15.358 -0.540 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.546 14.187 -1.377 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -8.514 13.332 -2.602 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.853 15.040 -2.233 1.00 0.00 H new ATOM 1374 N GLY A 89 -10.923 10.734 0.820 1.00 0.00 N ATOM 1375 CA GLY A 89 -10.522 9.357 1.016 1.00 0.00 C ATOM 1376 C GLY A 89 -9.855 9.184 2.365 1.00 0.00 C ATOM 1377 O GLY A 89 -9.861 10.100 3.191 1.00 0.00 O ATOM 0 H GLY A 89 -10.746 11.331 1.628 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.393 8.706 0.949 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.837 9.056 0.224 1.00 0.00 H new ATOM 1381 N TRP A 90 -9.245 8.021 2.573 1.00 0.00 N ATOM 1382 CA TRP A 90 -8.425 7.751 3.732 1.00 0.00 C ATOM 1383 C TRP A 90 -7.201 7.027 3.222 1.00 0.00 C ATOM 1384 O TRP A 90 -7.271 6.264 2.251 1.00 0.00 O ATOM 1385 CB TRP A 90 -9.187 6.900 4.746 1.00 0.00 C ATOM 1386 CG TRP A 90 -10.483 7.488 5.187 1.00 0.00 C ATOM 1387 CD1 TRP A 90 -10.662 8.313 6.241 1.00 0.00 C ATOM 1388 CD2 TRP A 90 -11.768 7.406 4.509 1.00 0.00 C ATOM 1389 NE1 TRP A 90 -11.974 8.741 6.269 1.00 0.00 N ATOM 1390 CE2 TRP A 90 -12.705 8.204 5.228 1.00 0.00 C ATOM 1391 CE3 TRP A 90 -12.210 6.777 3.325 1.00 0.00 C ATOM 1392 CZ2 TRP A 90 -14.029 8.362 4.796 1.00 0.00 C ATOM 1393 CZ3 TRP A 90 -13.528 6.953 2.872 1.00 0.00 C ATOM 1394 CH2 TRP A 90 -14.431 7.746 3.600 1.00 0.00 C ATOM 0 H TRP A 90 -9.312 7.234 1.928 1.00 0.00 H new ATOM 0 HA TRP A 90 -8.148 8.671 4.247 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -9.376 5.919 4.311 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -8.555 6.745 5.621 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -9.898 8.594 6.951 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -12.356 9.375 6.971 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -11.529 6.155 2.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -14.729 8.948 5.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -13.849 6.476 1.958 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -15.439 7.882 3.238 1.00 0.00 H new ATOM 1405 N ASP A 91 -6.084 7.273 3.881 1.00 0.00 N ATOM 1406 CA ASP A 91 -4.856 6.560 3.620 1.00 0.00 C ATOM 1407 C ASP A 91 -4.936 5.354 4.551 1.00 0.00 C ATOM 1408 O ASP A 91 -4.731 5.486 5.763 1.00 0.00 O ATOM 1409 CB ASP A 91 -3.645 7.492 3.818 1.00 0.00 C ATOM 1410 CG ASP A 91 -2.792 7.498 2.549 1.00 0.00 C ATOM 1411 OD1 ASP A 91 -2.088 6.488 2.344 1.00 0.00 O ATOM 1412 OD2 ASP A 91 -2.861 8.487 1.786 1.00 0.00 O ATOM 0 H ASP A 91 -6.007 7.977 4.615 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.725 6.216 2.594 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.984 8.503 4.046 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.050 7.157 4.667 1.00 0.00 H new ATOM 1417 N LYS A 92 -5.417 4.217 4.036 1.00 0.00 N ATOM 1418 CA LYS A 92 -5.465 2.970 4.807 1.00 0.00 C ATOM 1419 C LYS A 92 -4.066 2.336 4.753 1.00 0.00 C ATOM 1420 O LYS A 92 -3.676 1.824 3.704 1.00 0.00 O ATOM 1421 CB LYS A 92 -6.555 1.980 4.317 1.00 0.00 C ATOM 1422 CG LYS A 92 -7.972 2.505 4.031 1.00 0.00 C ATOM 1423 CD LYS A 92 -8.558 3.268 5.212 1.00 0.00 C ATOM 1424 CE LYS A 92 -10.065 3.557 5.065 1.00 0.00 C ATOM 1425 NZ LYS A 92 -10.930 2.381 5.300 1.00 0.00 N ATOM 0 H LYS A 92 -5.779 4.135 3.086 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.747 3.205 5.833 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.187 1.513 3.403 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.642 1.192 5.065 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -7.946 3.157 3.158 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -8.624 1.667 3.784 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.393 2.695 6.124 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.024 4.211 5.327 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -10.343 4.345 5.765 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -10.255 3.940 4.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -11.927 2.654 5.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -10.693 1.634 4.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -10.779 2.027 6.266 1.00 0.00 H new ATOM 1439 N TYR A 93 -3.297 2.360 5.849 1.00 0.00 N ATOM 1440 CA TYR A 93 -1.966 1.756 5.840 1.00 0.00 C ATOM 1441 C TYR A 93 -2.157 0.237 5.976 1.00 0.00 C ATOM 1442 O TYR A 93 -3.230 -0.195 6.425 1.00 0.00 O ATOM 1443 CB TYR A 93 -1.126 2.348 6.989 1.00 0.00 C ATOM 1444 CG TYR A 93 -0.832 3.837 6.947 1.00 0.00 C ATOM 1445 CD1 TYR A 93 -1.862 4.760 7.193 1.00 0.00 C ATOM 1446 CD2 TYR A 93 0.479 4.310 6.734 1.00 0.00 C ATOM 1447 CE1 TYR A 93 -1.603 6.136 7.185 1.00 0.00 C ATOM 1448 CE2 TYR A 93 0.759 5.689 6.773 1.00 0.00 C ATOM 1449 CZ TYR A 93 -0.292 6.611 6.985 1.00 0.00 C ATOM 1450 OH TYR A 93 -0.081 7.953 7.018 1.00 0.00 O ATOM 0 H TYR A 93 -3.570 2.784 6.736 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.427 1.966 4.916 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.639 2.133 7.926 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.174 1.818 7.018 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.863 4.405 7.390 1.00 0.00 H new ATOM 0 HD2 TYR A 93 1.276 3.608 6.539 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.412 6.836 7.333 1.00 0.00 H new ATOM 0 HE2 TYR A 93 1.772 6.041 6.642 1.00 0.00 H new ATOM 0 HH TYR A 93 0.869 8.139 6.866 1.00 0.00 H new ATOM 1460 N PHE A 94 -1.132 -0.585 5.721 1.00 0.00 N ATOM 1461 CA PHE A 94 -1.184 -2.042 5.930 1.00 0.00 C ATOM 1462 C PHE A 94 0.170 -2.608 6.356 1.00 0.00 C ATOM 1463 O PHE A 94 1.200 -2.050 5.974 1.00 0.00 O ATOM 1464 CB PHE A 94 -1.639 -2.721 4.631 1.00 0.00 C ATOM 1465 CG PHE A 94 -3.100 -2.483 4.326 1.00 0.00 C ATOM 1466 CD1 PHE A 94 -4.082 -3.291 4.934 1.00 0.00 C ATOM 1467 CD2 PHE A 94 -3.482 -1.389 3.527 1.00 0.00 C ATOM 1468 CE1 PHE A 94 -5.447 -3.007 4.748 1.00 0.00 C ATOM 1469 CE2 PHE A 94 -4.847 -1.120 3.340 1.00 0.00 C ATOM 1470 CZ PHE A 94 -5.830 -1.913 3.957 1.00 0.00 C ATOM 0 H PHE A 94 -0.235 -0.258 5.361 1.00 0.00 H new ATOM 0 HA PHE A 94 -1.892 -2.242 6.734 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -1.035 -2.352 3.802 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -1.458 -3.793 4.704 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -3.785 -4.131 5.545 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.734 -0.764 3.063 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -6.198 -3.629 5.212 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -5.146 -0.293 2.714 1.00 0.00 H new ATOM 0 HZ PHE A 94 -6.876 -1.681 3.823 1.00 0.00 H new ATOM 1480 N GLU A 95 0.171 -3.727 7.092 1.00 0.00 N ATOM 1481 CA GLU A 95 1.359 -4.406 7.630 1.00 0.00 C ATOM 1482 C GLU A 95 1.642 -5.737 6.905 1.00 0.00 C ATOM 1483 O GLU A 95 1.820 -6.779 7.530 1.00 0.00 O ATOM 1484 CB GLU A 95 1.229 -4.506 9.170 1.00 0.00 C ATOM 1485 CG GLU A 95 0.355 -5.606 9.773 1.00 0.00 C ATOM 1486 CD GLU A 95 0.175 -5.436 11.277 1.00 0.00 C ATOM 1487 OE1 GLU A 95 1.140 -5.731 12.011 1.00 0.00 O ATOM 1488 OE2 GLU A 95 -0.937 -5.103 11.748 1.00 0.00 O ATOM 0 H GLU A 95 -0.695 -4.206 7.340 1.00 0.00 H new ATOM 0 HA GLU A 95 2.254 -3.817 7.430 1.00 0.00 H new ATOM 0 HB2 GLU A 95 2.233 -4.624 9.577 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.849 -3.550 9.530 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.621 -5.599 9.288 1.00 0.00 H new ATOM 0 HG3 GLU A 95 0.805 -6.578 9.570 1.00 0.00 H new ATOM 1495 N ILE A 96 1.622 -5.737 5.571 1.00 0.00 N ATOM 1496 CA ILE A 96 1.823 -6.965 4.802 1.00 0.00 C ATOM 1497 C ILE A 96 3.240 -7.510 5.096 1.00 0.00 C ATOM 1498 O ILE A 96 4.156 -6.717 5.305 1.00 0.00 O ATOM 1499 CB ILE A 96 1.597 -6.728 3.288 1.00 0.00 C ATOM 1500 CG1 ILE A 96 0.390 -5.811 2.966 1.00 0.00 C ATOM 1501 CG2 ILE A 96 1.352 -8.066 2.563 1.00 0.00 C ATOM 1502 CD1 ILE A 96 0.819 -4.375 2.656 1.00 0.00 C ATOM 0 H ILE A 96 1.469 -4.904 5.003 1.00 0.00 H new ATOM 0 HA ILE A 96 1.087 -7.709 5.106 1.00 0.00 H new ATOM 0 HB ILE A 96 2.506 -6.235 2.944 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.155 -6.217 2.114 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.297 -5.808 3.812 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.195 -7.881 1.500 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.218 -8.715 2.694 1.00 0.00 H new ATOM 0 HG23 ILE A 96 0.469 -8.550 2.981 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.062 -3.771 2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.340 -3.957 3.517 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.485 -4.372 1.793 1.00 0.00 H new ATOM 1514 N PRO A 97 3.461 -8.832 5.130 1.00 0.00 N ATOM 1515 CA PRO A 97 4.806 -9.412 5.117 1.00 0.00 C ATOM 1516 C PRO A 97 5.492 -9.268 3.746 1.00 0.00 C ATOM 1517 O PRO A 97 4.900 -8.773 2.780 1.00 0.00 O ATOM 1518 CB PRO A 97 4.597 -10.884 5.463 1.00 0.00 C ATOM 1519 CG PRO A 97 3.191 -11.164 4.954 1.00 0.00 C ATOM 1520 CD PRO A 97 2.459 -9.874 5.280 1.00 0.00 C ATOM 0 HA PRO A 97 5.462 -8.901 5.822 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.336 -11.521 4.976 1.00 0.00 H new ATOM 0 HB3 PRO A 97 4.680 -11.061 6.535 1.00 0.00 H new ATOM 0 HG2 PRO A 97 3.182 -11.377 3.885 1.00 0.00 H new ATOM 0 HG3 PRO A 97 2.742 -12.022 5.454 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.618 -9.715 4.605 1.00 0.00 H new ATOM 0 HD3 PRO A 97 2.056 -9.893 6.293 1.00 0.00 H new ATOM 1528 N MET A 98 6.721 -9.784 3.642 1.00 0.00 N ATOM 1529 CA MET A 98 7.436 -10.021 2.393 1.00 0.00 C ATOM 1530 C MET A 98 7.426 -11.511 2.055 1.00 0.00 C ATOM 1531 O MET A 98 7.088 -11.865 0.927 1.00 0.00 O ATOM 1532 CB MET A 98 8.885 -9.522 2.472 1.00 0.00 C ATOM 1533 CG MET A 98 8.990 -8.003 2.604 1.00 0.00 C ATOM 1534 SD MET A 98 10.689 -7.447 2.864 1.00 0.00 S ATOM 1535 CE MET A 98 10.358 -5.821 3.585 1.00 0.00 C ATOM 0 H MET A 98 7.263 -10.058 4.462 1.00 0.00 H new ATOM 0 HA MET A 98 6.924 -9.464 1.608 1.00 0.00 H new ATOM 0 HB2 MET A 98 9.378 -9.990 3.324 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.422 -9.841 1.579 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.592 -7.535 1.704 1.00 0.00 H new ATOM 0 HG3 MET A 98 8.371 -7.670 3.437 1.00 0.00 H new ATOM 0 HE1 MET A 98 11.196 -5.525 4.216 1.00 0.00 H new ATOM 0 HE2 MET A 98 10.228 -5.089 2.788 1.00 0.00 H new ATOM 0 HE3 MET A 98 9.450 -5.868 4.186 1.00 0.00 H new ATOM 1545 N ASP A 99 7.789 -12.404 2.987 1.00 0.00 N ATOM 1546 CA ASP A 99 8.011 -13.810 2.622 1.00 0.00 C ATOM 1547 C ASP A 99 6.702 -14.491 2.198 1.00 0.00 C ATOM 1548 O ASP A 99 6.708 -15.315 1.285 1.00 0.00 O ATOM 1549 CB ASP A 99 8.722 -14.594 3.736 1.00 0.00 C ATOM 1550 CG ASP A 99 9.127 -16.009 3.292 1.00 0.00 C ATOM 1551 OD1 ASP A 99 9.425 -16.193 2.088 1.00 0.00 O ATOM 1552 OD2 ASP A 99 9.201 -16.921 4.150 1.00 0.00 O ATOM 0 H ASP A 99 7.932 -12.187 3.973 1.00 0.00 H new ATOM 0 HA ASP A 99 8.679 -13.814 1.761 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.611 -14.047 4.051 1.00 0.00 H new ATOM 0 HB3 ASP A 99 8.066 -14.663 4.604 1.00 0.00 H new ATOM 1557 N ALA A 100 5.552 -14.085 2.761 1.00 0.00 N ATOM 1558 CA ALA A 100 4.251 -14.708 2.472 1.00 0.00 C ATOM 1559 C ALA A 100 3.701 -14.383 1.067 1.00 0.00 C ATOM 1560 O ALA A 100 2.574 -14.770 0.734 1.00 0.00 O ATOM 1561 CB ALA A 100 3.209 -14.348 3.535 1.00 0.00 C ATOM 0 H ALA A 100 5.499 -13.316 3.429 1.00 0.00 H new ATOM 0 HA ALA A 100 4.439 -15.781 2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.260 -14.825 3.290 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.549 -14.696 4.510 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.075 -13.267 3.562 1.00 0.00 H new ATOM 1567 N LEU A 101 4.441 -13.637 0.249 1.00 0.00 N ATOM 1568 CA LEU A 101 4.014 -13.223 -1.081 1.00 0.00 C ATOM 1569 C LEU A 101 4.361 -14.295 -2.106 1.00 0.00 C ATOM 1570 O LEU A 101 5.297 -15.070 -1.922 1.00 0.00 O ATOM 1571 CB LEU A 101 4.701 -11.910 -1.466 1.00 0.00 C ATOM 1572 CG LEU A 101 4.459 -10.760 -0.470 1.00 0.00 C ATOM 1573 CD1 LEU A 101 5.371 -9.603 -0.866 1.00 0.00 C ATOM 1574 CD2 LEU A 101 2.990 -10.321 -0.396 1.00 0.00 C ATOM 0 H LEU A 101 5.370 -13.299 0.499 1.00 0.00 H new ATOM 0 HA LEU A 101 2.934 -13.078 -1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.774 -12.084 -1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.350 -11.603 -2.451 1.00 0.00 H new ATOM 0 HG LEU A 101 4.696 -11.109 0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.223 -8.771 -0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.411 -9.928 -0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.132 -9.282 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.889 -9.508 0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.662 -9.979 -1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.374 -11.163 -0.081 1.00 0.00 H new ATOM 1586 N GLN A 102 3.589 -14.336 -3.192 1.00 0.00 N ATOM 1587 CA GLN A 102 3.755 -15.273 -4.293 1.00 0.00 C ATOM 1588 C GLN A 102 4.959 -14.913 -5.164 1.00 0.00 C ATOM 1589 O GLN A 102 5.528 -15.772 -5.832 1.00 0.00 O ATOM 1590 CB GLN A 102 2.500 -15.152 -5.161 1.00 0.00 C ATOM 1591 CG GLN A 102 2.317 -16.340 -6.094 1.00 0.00 C ATOM 1592 CD GLN A 102 1.251 -16.083 -7.155 1.00 0.00 C ATOM 1593 OE1 GLN A 102 0.307 -16.850 -7.296 1.00 0.00 O ATOM 1594 NE2 GLN A 102 1.362 -15.025 -7.946 1.00 0.00 N ATOM 0 H GLN A 102 2.807 -13.696 -3.330 1.00 0.00 H new ATOM 0 HA GLN A 102 3.908 -16.276 -3.895 1.00 0.00 H new ATOM 0 HB2 GLN A 102 1.625 -15.062 -4.517 1.00 0.00 H new ATOM 0 HB3 GLN A 102 2.557 -14.237 -5.751 1.00 0.00 H new ATOM 0 HG2 GLN A 102 3.265 -16.566 -6.582 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.042 -17.219 -5.511 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.147 -14.383 -7.832 1.00 0.00 H new ATOM 0 HE22 GLN A 102 0.663 -14.853 -8.668 1.00 0.00 H new ATOM 1603 N ASP A 103 5.282 -13.626 -5.224 1.00 0.00 N ATOM 1604 CA ASP A 103 6.253 -13.033 -6.124 1.00 0.00 C ATOM 1605 C ASP A 103 6.927 -11.926 -5.336 1.00 0.00 C ATOM 1606 O ASP A 103 6.346 -11.420 -4.372 1.00 0.00 O ATOM 1607 CB ASP A 103 5.582 -12.401 -7.353 1.00 0.00 C ATOM 1608 CG ASP A 103 4.506 -13.258 -8.016 1.00 0.00 C ATOM 1609 OD1 ASP A 103 4.829 -14.138 -8.849 1.00 0.00 O ATOM 1610 OD2 ASP A 103 3.312 -12.940 -7.797 1.00 0.00 O ATOM 0 H ASP A 103 4.848 -12.935 -4.612 1.00 0.00 H new ATOM 0 HA ASP A 103 6.944 -13.798 -6.479 1.00 0.00 H new ATOM 0 HB2 ASP A 103 5.137 -11.451 -7.056 1.00 0.00 H new ATOM 0 HB3 ASP A 103 6.351 -12.175 -8.092 1.00 0.00 H new ATOM 1615 N ASN A 104 8.089 -11.464 -5.796 1.00 0.00 N ATOM 1616 CA ASN A 104 8.837 -10.397 -5.131 1.00 0.00 C ATOM 1617 C ASN A 104 8.254 -9.027 -5.500 1.00 0.00 C ATOM 1618 O ASN A 104 8.998 -8.119 -5.866 1.00 0.00 O ATOM 1619 CB ASN A 104 10.337 -10.505 -5.471 1.00 0.00 C ATOM 1620 CG ASN A 104 10.996 -11.749 -4.883 1.00 0.00 C ATOM 1621 OD1 ASN A 104 10.404 -12.491 -4.109 1.00 0.00 O ATOM 1622 ND2 ASN A 104 12.245 -11.999 -5.224 1.00 0.00 N ATOM 0 H ASN A 104 8.539 -11.819 -6.640 1.00 0.00 H new ATOM 0 HA ASN A 104 8.741 -10.508 -4.051 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.458 -10.515 -6.554 1.00 0.00 H new ATOM 0 HB3 ASN A 104 10.852 -9.619 -5.101 1.00 0.00 H new ATOM 0 HD21 ASN A 104 12.724 -12.815 -4.843 1.00 0.00 H new ATOM 0 HD22 ASN A 104 12.732 -11.377 -5.869 1.00 0.00 H new ATOM 1629 N SER A 105 6.926 -8.873 -5.458 1.00 0.00 N ATOM 1630 CA SER A 105 6.226 -7.609 -5.660 1.00 0.00 C ATOM 1631 C SER A 105 5.015 -7.524 -4.739 1.00 0.00 C ATOM 1632 O SER A 105 4.494 -8.550 -4.289 1.00 0.00 O ATOM 1633 CB SER A 105 5.792 -7.446 -7.126 1.00 0.00 C ATOM 1634 OG SER A 105 5.169 -8.633 -7.597 1.00 0.00 O ATOM 0 H SER A 105 6.293 -9.652 -5.276 1.00 0.00 H new ATOM 0 HA SER A 105 6.913 -6.798 -5.418 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.103 -6.607 -7.216 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.659 -7.214 -7.744 1.00 0.00 H new ATOM 0 HG SER A 105 4.211 -8.471 -7.725 1.00 0.00 H new ATOM 1640 N ILE A 106 4.526 -6.304 -4.525 1.00 0.00 N ATOM 1641 CA ILE A 106 3.333 -6.003 -3.748 1.00 0.00 C ATOM 1642 C ILE A 106 2.279 -5.408 -4.686 1.00 0.00 C ATOM 1643 O ILE A 106 2.618 -4.683 -5.627 1.00 0.00 O ATOM 1644 CB ILE A 106 3.747 -5.100 -2.562 1.00 0.00 C ATOM 1645 CG1 ILE A 106 2.673 -4.991 -1.460 1.00 0.00 C ATOM 1646 CG2 ILE A 106 4.276 -3.722 -2.999 1.00 0.00 C ATOM 1647 CD1 ILE A 106 1.596 -3.912 -1.627 1.00 0.00 C ATOM 0 H ILE A 106 4.970 -5.468 -4.905 1.00 0.00 H new ATOM 0 HA ILE A 106 2.872 -6.888 -3.309 1.00 0.00 H new ATOM 0 HB ILE A 106 4.590 -5.619 -2.105 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.173 -5.956 -1.381 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.181 -4.816 -0.511 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.548 -3.141 -2.118 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.153 -3.853 -3.632 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.502 -3.195 -3.557 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.909 -3.950 -0.781 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.068 -2.930 -1.668 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.045 -4.088 -2.551 1.00 0.00 H new ATOM 1659 N GLN A 107 1.004 -5.697 -4.425 1.00 0.00 N ATOM 1660 CA GLN A 107 -0.154 -5.065 -5.045 1.00 0.00 C ATOM 1661 C GLN A 107 -1.325 -5.139 -4.052 1.00 0.00 C ATOM 1662 O GLN A 107 -1.533 -6.176 -3.421 1.00 0.00 O ATOM 1663 CB GLN A 107 -0.496 -5.841 -6.324 1.00 0.00 C ATOM 1664 CG GLN A 107 -1.672 -5.214 -7.079 1.00 0.00 C ATOM 1665 CD GLN A 107 -2.121 -6.042 -8.270 1.00 0.00 C ATOM 1666 OE1 GLN A 107 -2.253 -7.259 -8.179 1.00 0.00 O ATOM 1667 NE2 GLN A 107 -2.434 -5.377 -9.355 1.00 0.00 N ATOM 0 H GLN A 107 0.742 -6.410 -3.745 1.00 0.00 H new ATOM 0 HA GLN A 107 0.047 -4.023 -5.296 1.00 0.00 H new ATOM 0 HB2 GLN A 107 0.378 -5.871 -6.975 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.738 -6.873 -6.068 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -2.511 -5.088 -6.394 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -1.388 -4.219 -7.422 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -2.308 -4.365 -9.387 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.804 -5.871 -10.167 1.00 0.00 H new ATOM 1676 N ILE A 108 -2.185 -4.122 -3.989 1.00 0.00 N ATOM 1677 CA ILE A 108 -3.458 -4.152 -3.260 1.00 0.00 C ATOM 1678 C ILE A 108 -4.575 -4.045 -4.319 1.00 0.00 C ATOM 1679 O ILE A 108 -4.324 -3.692 -5.469 1.00 0.00 O ATOM 1680 CB ILE A 108 -3.476 -3.049 -2.172 1.00 0.00 C ATOM 1681 CG1 ILE A 108 -2.221 -3.153 -1.264 1.00 0.00 C ATOM 1682 CG2 ILE A 108 -4.750 -3.161 -1.313 1.00 0.00 C ATOM 1683 CD1 ILE A 108 -2.134 -2.127 -0.126 1.00 0.00 C ATOM 0 H ILE A 108 -2.013 -3.231 -4.455 1.00 0.00 H new ATOM 0 HA ILE A 108 -3.610 -5.077 -2.705 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.468 -2.081 -2.673 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -2.191 -4.152 -0.830 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.334 -3.051 -1.889 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -4.747 -2.379 -0.554 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -5.628 -3.046 -1.948 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -4.777 -4.137 -0.828 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -1.219 -2.292 0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -2.125 -1.120 -0.544 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -2.996 -2.239 0.532 1.00 0.00 H new ATOM 1695 N LYS A 109 -5.811 -4.433 -4.012 1.00 0.00 N ATOM 1696 CA LYS A 109 -6.947 -4.313 -4.937 1.00 0.00 C ATOM 1697 C LYS A 109 -8.216 -4.149 -4.108 1.00 0.00 C ATOM 1698 O LYS A 109 -8.243 -4.722 -3.009 1.00 0.00 O ATOM 1699 CB LYS A 109 -7.015 -5.535 -5.881 1.00 0.00 C ATOM 1700 CG LYS A 109 -6.953 -6.921 -5.211 1.00 0.00 C ATOM 1701 CD LYS A 109 -5.919 -7.863 -5.841 1.00 0.00 C ATOM 1702 CE LYS A 109 -4.458 -7.379 -5.842 1.00 0.00 C ATOM 1703 NZ LYS A 109 -3.892 -7.406 -4.474 1.00 0.00 N ATOM 0 H LYS A 109 -6.059 -4.842 -3.111 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.829 -3.440 -5.579 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -7.940 -5.473 -6.454 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -6.193 -5.463 -6.594 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -6.720 -6.794 -4.154 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -7.937 -7.386 -5.266 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -5.962 -8.817 -5.315 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -6.216 -8.054 -6.872 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -3.861 -8.012 -6.499 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -4.406 -6.366 -6.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.912 -7.059 -4.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -4.460 -6.797 -3.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -3.906 -8.381 -4.112 1.00 0.00 H new ATOM 1717 N ALA A 110 -9.229 -3.383 -4.554 1.00 0.00 N ATOM 1718 CA ALA A 110 -10.458 -3.324 -3.745 1.00 0.00 C ATOM 1719 C ALA A 110 -11.752 -3.234 -4.556 1.00 0.00 C ATOM 1720 O ALA A 110 -11.756 -2.669 -5.650 1.00 0.00 O ATOM 1721 CB ALA A 110 -10.368 -2.148 -2.760 1.00 0.00 C ATOM 0 H ALA A 110 -9.228 -2.831 -5.412 1.00 0.00 H new ATOM 0 HA ALA A 110 -10.515 -4.274 -3.214 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -11.278 -2.104 -2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.508 -2.287 -2.104 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.254 -1.217 -3.315 1.00 0.00 H new ATOM 1727 N LEU A 111 -12.868 -3.678 -3.960 1.00 0.00 N ATOM 1728 CA LEU A 111 -14.216 -3.438 -4.484 1.00 0.00 C ATOM 1729 C LEU A 111 -14.512 -1.952 -4.363 1.00 0.00 C ATOM 1730 O LEU A 111 -14.277 -1.365 -3.297 1.00 0.00 O ATOM 1731 CB LEU A 111 -15.299 -4.195 -3.692 1.00 0.00 C ATOM 1732 CG LEU A 111 -16.687 -4.153 -4.369 1.00 0.00 C ATOM 1733 CD1 LEU A 111 -16.792 -5.142 -5.530 1.00 0.00 C ATOM 1734 CD2 LEU A 111 -17.784 -4.470 -3.348 1.00 0.00 C ATOM 0 H LEU A 111 -12.858 -4.218 -3.094 1.00 0.00 H new ATOM 0 HA LEU A 111 -14.240 -3.788 -5.516 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -14.992 -5.234 -3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -15.376 -3.766 -2.693 1.00 0.00 H new ATOM 0 HG LEU A 111 -16.817 -3.145 -4.764 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -17.785 -5.077 -5.975 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -16.041 -4.901 -6.282 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -16.625 -6.154 -5.162 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -18.757 -4.437 -3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -17.619 -5.465 -2.934 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -17.757 -3.734 -2.545 1.00 0.00 H new ATOM 1746 N SER A 112 -14.998 -1.335 -5.431 1.00 0.00 N ATOM 1747 CA SER A 112 -15.454 0.045 -5.451 1.00 0.00 C ATOM 1748 C SER A 112 -16.975 0.027 -5.327 1.00 0.00 C ATOM 1749 O SER A 112 -17.518 0.353 -4.260 1.00 0.00 O ATOM 1750 CB SER A 112 -14.914 0.728 -6.718 1.00 0.00 C ATOM 1751 OG SER A 112 -15.544 1.968 -6.945 1.00 0.00 O ATOM 0 H SER A 112 -15.088 -1.797 -6.336 1.00 0.00 H new ATOM 0 HA SER A 112 -15.075 0.636 -4.617 1.00 0.00 H new ATOM 0 HB2 SER A 112 -13.839 0.877 -6.622 1.00 0.00 H new ATOM 0 HB3 SER A 112 -15.070 0.077 -7.578 1.00 0.00 H new ATOM 0 HG SER A 112 -14.887 2.690 -6.859 1.00 0.00 H new ATOM 1757 N SER A 113 -17.662 -0.401 -6.386 1.00 0.00 N ATOM 1758 CA SER A 113 -19.108 -0.347 -6.504 1.00 0.00 C ATOM 1759 C SER A 113 -19.598 -1.480 -7.403 1.00 0.00 C ATOM 1760 O SER A 113 -18.912 -1.844 -8.364 1.00 0.00 O ATOM 1761 CB SER A 113 -19.512 1.038 -7.038 1.00 0.00 C ATOM 1762 OG SER A 113 -18.781 1.371 -8.207 1.00 0.00 O ATOM 0 H SER A 113 -17.209 -0.805 -7.206 1.00 0.00 H new ATOM 0 HA SER A 113 -19.578 -0.485 -5.530 1.00 0.00 H new ATOM 0 HB2 SER A 113 -20.579 1.048 -7.258 1.00 0.00 H new ATOM 0 HB3 SER A 113 -19.338 1.792 -6.270 1.00 0.00 H new ATOM 0 HG SER A 113 -19.059 2.255 -8.526 1.00 0.00 H new ATOM 1768 N GLY A 114 -20.774 -2.030 -7.096 1.00 0.00 N ATOM 1769 CA GLY A 114 -21.357 -3.182 -7.767 1.00 0.00 C ATOM 1770 C GLY A 114 -20.441 -4.398 -7.662 1.00 0.00 C ATOM 1771 O GLY A 114 -20.443 -5.098 -6.645 1.00 0.00 O ATOM 0 H GLY A 114 -21.364 -1.669 -6.346 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -22.326 -3.413 -7.325 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -21.534 -2.945 -8.816 1.00 0.00 H new ATOM 1775 N THR A 115 -19.643 -4.625 -8.702 1.00 0.00 N ATOM 1776 CA THR A 115 -18.663 -5.701 -8.819 1.00 0.00 C ATOM 1777 C THR A 115 -17.256 -5.163 -9.105 1.00 0.00 C ATOM 1778 O THR A 115 -16.298 -5.931 -9.027 1.00 0.00 O ATOM 1779 CB THR A 115 -19.131 -6.678 -9.916 1.00 0.00 C ATOM 1780 OG1 THR A 115 -19.608 -5.977 -11.053 1.00 0.00 O ATOM 1781 CG2 THR A 115 -20.267 -7.546 -9.374 1.00 0.00 C ATOM 0 H THR A 115 -19.664 -4.031 -9.531 1.00 0.00 H new ATOM 0 HA THR A 115 -18.597 -6.229 -7.868 1.00 0.00 H new ATOM 0 HB THR A 115 -18.279 -7.293 -10.206 1.00 0.00 H new ATOM 0 HG1 THR A 115 -19.897 -6.618 -11.735 1.00 0.00 H new ATOM 0 HG21 THR A 115 -20.598 -8.237 -10.149 1.00 0.00 H new ATOM 0 HG22 THR A 115 -19.914 -8.111 -8.511 1.00 0.00 H new ATOM 0 HG23 THR A 115 -21.100 -6.910 -9.075 1.00 0.00 H new ATOM 1789 N THR A 116 -17.130 -3.866 -9.397 1.00 0.00 N ATOM 1790 CA THR A 116 -15.922 -3.201 -9.855 1.00 0.00 C ATOM 1791 C THR A 116 -14.813 -3.426 -8.848 1.00 0.00 C ATOM 1792 O THR A 116 -14.958 -3.076 -7.672 1.00 0.00 O ATOM 1793 CB THR A 116 -16.173 -1.696 -9.971 1.00 0.00 C ATOM 1794 OG1 THR A 116 -17.347 -1.426 -10.717 1.00 0.00 O ATOM 1795 CG2 THR A 116 -14.974 -0.926 -10.532 1.00 0.00 C ATOM 0 H THR A 116 -17.916 -3.222 -9.313 1.00 0.00 H new ATOM 0 HA THR A 116 -15.639 -3.606 -10.826 1.00 0.00 H new ATOM 0 HB THR A 116 -16.321 -1.335 -8.953 1.00 0.00 H new ATOM 0 HG1 THR A 116 -18.124 -1.436 -10.120 1.00 0.00 H new ATOM 0 HG21 THR A 116 -15.217 0.135 -10.589 1.00 0.00 H new ATOM 0 HG22 THR A 116 -14.113 -1.066 -9.878 1.00 0.00 H new ATOM 0 HG23 THR A 116 -14.737 -1.298 -11.529 1.00 0.00 H new ATOM 1803 N PHE A 117 -13.694 -3.939 -9.328 1.00 0.00 N ATOM 1804 CA PHE A 117 -12.520 -4.240 -8.545 1.00 0.00 C ATOM 1805 C PHE A 117 -11.339 -3.535 -9.199 1.00 0.00 C ATOM 1806 O PHE A 117 -10.893 -3.894 -10.288 1.00 0.00 O ATOM 1807 CB PHE A 117 -12.365 -5.762 -8.402 1.00 0.00 C ATOM 1808 CG PHE A 117 -12.250 -6.207 -6.958 1.00 0.00 C ATOM 1809 CD1 PHE A 117 -11.004 -6.219 -6.306 1.00 0.00 C ATOM 1810 CD2 PHE A 117 -13.413 -6.572 -6.252 1.00 0.00 C ATOM 1811 CE1 PHE A 117 -10.920 -6.608 -4.954 1.00 0.00 C ATOM 1812 CE2 PHE A 117 -13.328 -6.954 -4.903 1.00 0.00 C ATOM 1813 CZ PHE A 117 -12.084 -6.974 -4.254 1.00 0.00 C ATOM 0 H PHE A 117 -13.579 -4.165 -10.316 1.00 0.00 H new ATOM 0 HA PHE A 117 -12.593 -3.869 -7.523 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -13.221 -6.255 -8.862 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -11.479 -6.085 -8.949 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -10.112 -5.930 -6.841 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -14.372 -6.558 -6.749 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -9.962 -6.625 -4.455 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -14.222 -7.233 -4.364 1.00 0.00 H new ATOM 0 HZ PHE A 117 -12.020 -7.270 -3.217 1.00 0.00 H new ATOM 1823 N VAL A 118 -10.867 -2.473 -8.558 1.00 0.00 N ATOM 1824 CA VAL A 118 -9.604 -1.841 -8.898 1.00 0.00 C ATOM 1825 C VAL A 118 -8.470 -2.727 -8.458 1.00 0.00 C ATOM 1826 O VAL A 118 -8.481 -3.231 -7.335 1.00 0.00 O ATOM 1827 CB VAL A 118 -9.507 -0.439 -8.280 1.00 0.00 C ATOM 1828 CG1 VAL A 118 -9.989 -0.375 -6.848 1.00 0.00 C ATOM 1829 CG2 VAL A 118 -8.187 0.295 -8.582 1.00 0.00 C ATOM 0 H VAL A 118 -11.355 -2.025 -7.783 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.543 -1.712 -9.979 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.238 0.167 -8.816 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -9.891 0.645 -6.476 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -11.035 -0.679 -6.802 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -9.389 -1.045 -6.232 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -8.200 1.277 -8.109 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -7.351 -0.285 -8.191 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -8.075 0.413 -9.660 1.00 0.00 H new ATOM 1839 N TYR A 119 -7.451 -2.815 -9.300 1.00 0.00 N ATOM 1840 CA TYR A 119 -6.175 -3.401 -8.963 1.00 0.00 C ATOM 1841 C TYR A 119 -5.183 -2.249 -8.965 1.00 0.00 C ATOM 1842 O TYR A 119 -5.115 -1.484 -9.938 1.00 0.00 O ATOM 1843 CB TYR A 119 -5.845 -4.539 -9.945 1.00 0.00 C ATOM 1844 CG TYR A 119 -6.932 -5.597 -10.067 1.00 0.00 C ATOM 1845 CD1 TYR A 119 -8.034 -5.370 -10.910 1.00 0.00 C ATOM 1846 CD2 TYR A 119 -6.872 -6.784 -9.314 1.00 0.00 C ATOM 1847 CE1 TYR A 119 -9.099 -6.280 -10.966 1.00 0.00 C ATOM 1848 CE2 TYR A 119 -7.939 -7.707 -9.349 1.00 0.00 C ATOM 1849 CZ TYR A 119 -9.068 -7.441 -10.163 1.00 0.00 C ATOM 1850 OH TYR A 119 -10.138 -8.281 -10.165 1.00 0.00 O ATOM 0 H TYR A 119 -7.496 -2.470 -10.259 1.00 0.00 H new ATOM 0 HA TYR A 119 -6.156 -3.877 -7.983 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -5.659 -4.111 -10.930 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -4.920 -5.020 -9.627 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -8.061 -4.482 -11.523 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -6.004 -6.990 -8.705 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -9.938 -6.094 -11.620 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -7.895 -8.611 -8.759 1.00 0.00 H new ATOM 0 HH TYR A 119 -9.964 -9.034 -9.563 1.00 0.00 H new ATOM 1860 N SER A 120 -4.478 -2.073 -7.844 1.00 0.00 N ATOM 1861 CA SER A 120 -3.431 -1.076 -7.724 1.00 0.00 C ATOM 1862 C SER A 120 -2.306 -1.439 -8.712 1.00 0.00 C ATOM 1863 O SER A 120 -2.322 -2.526 -9.296 1.00 0.00 O ATOM 1864 CB SER A 120 -2.956 -1.022 -6.264 1.00 0.00 C ATOM 1865 OG SER A 120 -1.908 -1.925 -5.929 1.00 0.00 O ATOM 0 H SER A 120 -4.624 -2.623 -6.997 1.00 0.00 H new ATOM 0 HA SER A 120 -3.788 -0.078 -7.978 1.00 0.00 H new ATOM 0 HB2 SER A 120 -2.622 -0.008 -6.046 1.00 0.00 H new ATOM 0 HB3 SER A 120 -3.808 -1.224 -5.615 1.00 0.00 H new ATOM 0 HG SER A 120 -1.042 -1.486 -6.065 1.00 0.00 H new ATOM 1871 N GLN A 121 -1.280 -0.599 -8.846 1.00 0.00 N ATOM 1872 CA GLN A 121 -0.088 -1.029 -9.575 1.00 0.00 C ATOM 1873 C GLN A 121 0.642 -2.166 -8.839 1.00 0.00 C ATOM 1874 O GLN A 121 0.474 -2.329 -7.624 1.00 0.00 O ATOM 1875 CB GLN A 121 0.853 0.144 -9.882 1.00 0.00 C ATOM 1876 CG GLN A 121 1.626 0.727 -8.694 1.00 0.00 C ATOM 1877 CD GLN A 121 0.847 1.749 -7.888 1.00 0.00 C ATOM 1878 OE1 GLN A 121 -0.125 1.431 -7.207 1.00 0.00 O ATOM 1879 NE2 GLN A 121 1.277 2.994 -7.940 1.00 0.00 N ATOM 0 H GLN A 121 -1.247 0.350 -8.474 1.00 0.00 H new ATOM 0 HA GLN A 121 -0.424 -1.423 -10.534 1.00 0.00 H new ATOM 0 HB2 GLN A 121 1.574 -0.184 -10.631 1.00 0.00 H new ATOM 0 HB3 GLN A 121 0.266 0.944 -10.333 1.00 0.00 H new ATOM 0 HG2 GLN A 121 1.926 -0.088 -8.035 1.00 0.00 H new ATOM 0 HG3 GLN A 121 2.541 1.192 -9.063 1.00 0.00 H new ATOM 0 HE21 GLN A 121 2.087 3.230 -8.514 1.00 0.00 H new ATOM 0 HE22 GLN A 121 0.800 3.721 -7.407 1.00 0.00 H new ATOM 1888 N LYS A 122 1.482 -2.899 -9.577 1.00 0.00 N ATOM 1889 CA LYS A 122 2.445 -3.881 -9.072 1.00 0.00 C ATOM 1890 C LYS A 122 3.754 -3.166 -8.784 1.00 0.00 C ATOM 1891 O LYS A 122 4.219 -2.435 -9.657 1.00 0.00 O ATOM 1892 CB LYS A 122 2.706 -4.915 -10.183 1.00 0.00 C ATOM 1893 CG LYS A 122 3.669 -6.052 -9.799 1.00 0.00 C ATOM 1894 CD LYS A 122 4.136 -6.841 -11.034 1.00 0.00 C ATOM 1895 CE LYS A 122 4.940 -8.061 -10.577 1.00 0.00 C ATOM 1896 NZ LYS A 122 5.498 -8.852 -11.693 1.00 0.00 N ATOM 0 H LYS A 122 1.509 -2.819 -10.593 1.00 0.00 H new ATOM 0 HA LYS A 122 2.061 -4.363 -8.173 1.00 0.00 H new ATOM 0 HB2 LYS A 122 1.754 -5.352 -10.483 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.108 -4.397 -11.054 1.00 0.00 H new ATOM 0 HG2 LYS A 122 4.535 -5.637 -9.283 1.00 0.00 H new ATOM 0 HG3 LYS A 122 3.175 -6.727 -9.101 1.00 0.00 H new ATOM 0 HD2 LYS A 122 3.276 -7.157 -11.625 1.00 0.00 H new ATOM 0 HD3 LYS A 122 4.748 -6.207 -11.676 1.00 0.00 H new ATOM 0 HE2 LYS A 122 5.755 -7.729 -9.935 1.00 0.00 H new ATOM 0 HE3 LYS A 122 4.299 -8.703 -9.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 6.029 -9.661 -11.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 4.723 -9.198 -12.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 6.135 -8.254 -12.258 1.00 0.00 H new ATOM 1910 N ILE A 123 4.391 -3.430 -7.642 1.00 0.00 N ATOM 1911 CA ILE A 123 5.717 -2.900 -7.343 1.00 0.00 C ATOM 1912 C ILE A 123 6.616 -4.038 -6.889 1.00 0.00 C ATOM 1913 O ILE A 123 6.478 -4.541 -5.779 1.00 0.00 O ATOM 1914 CB ILE A 123 5.617 -1.717 -6.340 1.00 0.00 C ATOM 1915 CG1 ILE A 123 4.656 -0.601 -6.798 1.00 0.00 C ATOM 1916 CG2 ILE A 123 6.964 -1.045 -6.028 1.00 0.00 C ATOM 1917 CD1 ILE A 123 5.044 0.041 -8.140 1.00 0.00 C ATOM 0 H ILE A 123 4.002 -4.015 -6.903 1.00 0.00 H new ATOM 0 HA ILE A 123 6.178 -2.476 -8.235 1.00 0.00 H new ATOM 0 HB ILE A 123 5.232 -2.202 -5.443 1.00 0.00 H new ATOM 0 HG12 ILE A 123 3.650 -1.012 -6.880 1.00 0.00 H new ATOM 0 HG13 ILE A 123 4.622 0.174 -6.032 1.00 0.00 H new ATOM 0 HG21 ILE A 123 6.809 -0.230 -5.321 1.00 0.00 H new ATOM 0 HG22 ILE A 123 7.644 -1.778 -5.594 1.00 0.00 H new ATOM 0 HG23 ILE A 123 7.395 -0.650 -6.948 1.00 0.00 H new ATOM 0 HD11 ILE A 123 4.321 0.816 -8.395 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.037 0.483 -8.058 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.049 -0.721 -8.920 1.00 0.00 H new ATOM 1929 N ASP A 124 7.484 -4.463 -7.807 1.00 0.00 N ATOM 1930 CA ASP A 124 8.603 -5.389 -7.616 1.00 0.00 C ATOM 1931 C ASP A 124 9.617 -4.745 -6.666 1.00 0.00 C ATOM 1932 O ASP A 124 9.873 -3.546 -6.795 1.00 0.00 O ATOM 1933 CB ASP A 124 9.243 -5.657 -8.993 1.00 0.00 C ATOM 1934 CG ASP A 124 8.895 -6.962 -9.711 1.00 0.00 C ATOM 1935 OD1 ASP A 124 8.381 -7.929 -9.113 1.00 0.00 O ATOM 1936 OD2 ASP A 124 9.111 -7.002 -10.945 1.00 0.00 O ATOM 0 H ASP A 124 7.420 -4.147 -8.775 1.00 0.00 H new ATOM 0 HA ASP A 124 8.267 -6.331 -7.184 1.00 0.00 H new ATOM 0 HB2 ASP A 124 8.972 -4.832 -9.652 1.00 0.00 H new ATOM 0 HB3 ASP A 124 10.325 -5.624 -8.869 1.00 0.00 H new ATOM 1941 N PHE A 125 10.184 -5.501 -5.720 1.00 0.00 N ATOM 1942 CA PHE A 125 11.157 -5.024 -4.731 1.00 0.00 C ATOM 1943 C PHE A 125 12.216 -6.098 -4.416 1.00 0.00 C ATOM 1944 O PHE A 125 12.104 -7.248 -4.862 1.00 0.00 O ATOM 1945 CB PHE A 125 10.423 -4.560 -3.456 1.00 0.00 C ATOM 1946 CG PHE A 125 9.769 -5.662 -2.645 1.00 0.00 C ATOM 1947 CD1 PHE A 125 8.479 -6.129 -2.967 1.00 0.00 C ATOM 1948 CD2 PHE A 125 10.454 -6.222 -1.553 1.00 0.00 C ATOM 1949 CE1 PHE A 125 7.916 -7.202 -2.253 1.00 0.00 C ATOM 1950 CE2 PHE A 125 9.879 -7.273 -0.827 1.00 0.00 C ATOM 1951 CZ PHE A 125 8.623 -7.785 -1.189 1.00 0.00 C ATOM 0 H PHE A 125 9.972 -6.493 -5.618 1.00 0.00 H new ATOM 0 HA PHE A 125 11.691 -4.172 -5.152 1.00 0.00 H new ATOM 0 HB2 PHE A 125 11.134 -4.036 -2.818 1.00 0.00 H new ATOM 0 HB3 PHE A 125 9.658 -3.838 -3.740 1.00 0.00 H new ATOM 0 HD1 PHE A 125 7.921 -5.661 -3.765 1.00 0.00 H new ATOM 0 HD2 PHE A 125 11.425 -5.841 -1.273 1.00 0.00 H new ATOM 0 HE1 PHE A 125 6.940 -7.578 -2.523 1.00 0.00 H new ATOM 0 HE2 PHE A 125 10.406 -7.692 0.017 1.00 0.00 H new ATOM 0 HZ PHE A 125 8.203 -8.623 -0.652 1.00 0.00 H new ATOM 1961 N GLU A 126 13.248 -5.737 -3.640 1.00 0.00 N ATOM 1962 CA GLU A 126 14.347 -6.624 -3.270 1.00 0.00 C ATOM 1963 C GLU A 126 14.291 -6.909 -1.763 1.00 0.00 C ATOM 1964 O GLU A 126 13.938 -6.017 -0.986 1.00 0.00 O ATOM 1965 CB GLU A 126 15.632 -6.036 -3.836 1.00 0.00 C ATOM 1966 CG GLU A 126 15.766 -6.262 -5.344 1.00 0.00 C ATOM 1967 CD GLU A 126 16.295 -7.621 -5.783 1.00 0.00 C ATOM 1968 OE1 GLU A 126 16.562 -8.517 -4.952 1.00 0.00 O ATOM 1969 OE2 GLU A 126 16.447 -7.793 -7.011 1.00 0.00 O ATOM 0 H GLU A 126 13.339 -4.800 -3.247 1.00 0.00 H new ATOM 0 HA GLU A 126 14.279 -7.619 -3.709 1.00 0.00 H new ATOM 0 HB2 GLU A 126 15.661 -4.966 -3.628 1.00 0.00 H new ATOM 0 HB3 GLU A 126 16.487 -6.482 -3.328 1.00 0.00 H new ATOM 0 HG2 GLU A 126 14.787 -6.114 -5.800 1.00 0.00 H new ATOM 0 HG3 GLU A 126 16.425 -5.493 -5.747 1.00 0.00 H new ATOM 1976 N ARG A 127 14.537 -8.168 -1.367 1.00 0.00 N ATOM 1977 CA ARG A 127 14.357 -8.645 0.016 1.00 0.00 C ATOM 1978 C ARG A 127 15.717 -8.741 0.708 1.00 0.00 C ATOM 1979 O ARG A 127 16.346 -9.800 0.689 1.00 0.00 O ATOM 1980 CB ARG A 127 13.601 -9.985 0.175 1.00 0.00 C ATOM 1981 CG ARG A 127 12.252 -10.190 -0.533 1.00 0.00 C ATOM 1982 CD ARG A 127 12.334 -10.317 -2.057 1.00 0.00 C ATOM 1983 NE ARG A 127 13.450 -11.207 -2.424 1.00 0.00 N ATOM 1984 CZ ARG A 127 14.467 -10.919 -3.241 1.00 0.00 C ATOM 1985 NH1 ARG A 127 14.365 -9.953 -4.147 1.00 0.00 N ATOM 1986 NH2 ARG A 127 15.600 -11.583 -3.120 1.00 0.00 N ATOM 0 H ARG A 127 14.870 -8.892 -2.004 1.00 0.00 H new ATOM 0 HA ARG A 127 13.714 -7.901 0.487 1.00 0.00 H new ATOM 0 HB2 ARG A 127 14.269 -10.777 -0.163 1.00 0.00 H new ATOM 0 HB3 ARG A 127 13.436 -10.140 1.241 1.00 0.00 H new ATOM 0 HG2 ARG A 127 11.782 -11.088 -0.133 1.00 0.00 H new ATOM 0 HG3 ARG A 127 11.599 -9.352 -0.288 1.00 0.00 H new ATOM 0 HD2 ARG A 127 11.397 -10.713 -2.449 1.00 0.00 H new ATOM 0 HD3 ARG A 127 12.478 -9.334 -2.506 1.00 0.00 H new ATOM 0 HE ARG A 127 13.445 -12.140 -2.011 1.00 0.00 H new ATOM 0 HH11 ARG A 127 13.500 -9.418 -4.227 1.00 0.00 H new ATOM 0 HH12 ARG A 127 15.151 -9.746 -4.763 1.00 0.00 H new ATOM 0 HH21 ARG A 127 15.693 -12.308 -2.408 1.00 0.00 H new ATOM 0 HH22 ARG A 127 16.383 -11.372 -3.738 1.00 0.00 H new ATOM 2000 N GLU A 128 16.117 -7.655 1.356 1.00 0.00 N ATOM 2001 CA GLU A 128 17.418 -7.417 1.980 1.00 0.00 C ATOM 2002 C GLU A 128 18.608 -7.491 1.013 1.00 0.00 C ATOM 2003 O GLU A 128 19.683 -6.985 1.395 1.00 0.00 O ATOM 2004 CB GLU A 128 17.623 -8.218 3.283 1.00 0.00 C ATOM 2005 CG GLU A 128 16.463 -8.132 4.297 1.00 0.00 C ATOM 2006 CD GLU A 128 16.670 -8.915 5.605 1.00 0.00 C ATOM 2007 OE1 GLU A 128 17.789 -8.898 6.167 1.00 0.00 O ATOM 2008 OE2 GLU A 128 15.663 -9.415 6.165 1.00 0.00 O ATOM 0 H GLU A 128 15.495 -6.855 1.469 1.00 0.00 H new ATOM 0 HA GLU A 128 17.392 -6.371 2.284 1.00 0.00 H new ATOM 0 HB2 GLU A 128 17.782 -9.265 3.026 1.00 0.00 H new ATOM 0 HB3 GLU A 128 18.534 -7.867 3.767 1.00 0.00 H new ATOM 0 HG2 GLU A 128 16.296 -7.084 4.544 1.00 0.00 H new ATOM 0 HG3 GLU A 128 15.555 -8.495 3.816 1.00 0.00 H new