USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 710 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 Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 161:sc= -0.533 (180deg=-0.87) USER MOD Single : A 20 SER OG : rot 74:sc= -0.66 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -4.03! C(o=-5.9!,f=-4!) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.449 F(o=-1.5,f=-0.45) USER MOD Single : A 31 HIS : no HD1:sc= -4.59! C(o=-4.6!,f=-5.6!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 151:sc= -0.134 (180deg=-1.96) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN :FLIP amide:sc= -1.04 F(o=-1.6,f=-1) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.81 K(o=-0.81,f=-2.6) USER MOD Single : A 53 LYS NZ :NH3+ -115:sc= 0.728 (180deg=-1.12) USER MOD Single : A 55 HIS : no HD1:sc= -6.7! C(o=-6.7!,f=-7.3!) USER MOD Single : A 56 TYR OH : rot -54:sc= 0.00208 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 154:sc= -0.108 (180deg=-0.626) USER MOD Single : A 63 GLN : amide:sc= -0.368 X(o=-0.37,f=-0.013) USER MOD Single : A 64 GLN : amide:sc= -0.0823 X(o=-0.082,f=-0.087) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -1.16 F(o=-1.9,f=-1.2) 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 79 SER OG : rot 180:sc= -1.09 USER MOD Single : A 81 GLN : amide:sc=-0.00255 X(o=-0.0025,f=-0.23) USER MOD Single : A 86 TYR OH : rot 180:sc= -0.0619 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -12.568 -4.963 -7.748 1.00 0.00 N ATOM 60 CA GLY A 7 -12.072 -6.156 -7.084 1.00 0.00 C ATOM 61 C GLY A 7 -10.841 -5.838 -6.233 1.00 0.00 C ATOM 62 O GLY A 7 -10.955 -5.622 -5.027 1.00 0.00 O ATOM 0 HA2 GLY A 7 -12.855 -6.578 -6.454 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.819 -6.912 -7.828 1.00 0.00 H new ATOM 66 N PRO A 8 -9.662 -5.820 -6.910 1.00 0.00 N ATOM 67 CA PRO A 8 -8.412 -5.532 -6.229 1.00 0.00 C ATOM 68 C PRO A 8 -8.292 -4.040 -5.911 1.00 0.00 C ATOM 69 O PRO A 8 -8.997 -3.219 -6.494 1.00 0.00 O ATOM 70 CB PRO A 8 -7.327 -6.027 -7.172 1.00 0.00 C ATOM 71 CG PRO A 8 -7.984 -6.147 -8.537 1.00 0.00 C ATOM 72 CD PRO A 8 -9.489 -6.072 -8.338 1.00 0.00 C ATOM 0 HA PRO A 8 -8.337 -6.027 -5.261 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.488 -5.331 -7.202 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.932 -6.988 -6.843 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.646 -5.347 -9.195 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.708 -7.088 -9.012 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.928 -5.274 -8.937 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.975 -7.000 -8.638 1.00 0.00 H new ATOM 80 N LYS A 9 -7.393 -3.735 -4.986 1.00 0.00 N ATOM 81 CA LYS A 9 -7.171 -2.357 -4.583 1.00 0.00 C ATOM 82 C LYS A 9 -5.679 -2.035 -4.682 1.00 0.00 C ATOM 83 O LYS A 9 -4.839 -2.833 -4.267 1.00 0.00 O ATOM 84 CB LYS A 9 -7.765 -2.102 -3.197 1.00 0.00 C ATOM 85 CG LYS A 9 -9.167 -1.499 -3.303 1.00 0.00 C ATOM 86 CD LYS A 9 -10.196 -2.373 -2.583 1.00 0.00 C ATOM 87 CE LYS A 9 -11.610 -1.818 -2.766 1.00 0.00 C ATOM 88 NZ LYS A 9 -12.130 -1.291 -1.484 1.00 0.00 N ATOM 0 H LYS A 9 -6.810 -4.419 -4.504 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.690 -1.675 -5.257 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.809 -3.037 -2.639 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.116 -1.427 -2.638 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.170 -0.498 -2.872 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.444 -1.395 -4.352 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.148 -3.391 -2.970 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.956 -2.424 -1.521 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.602 -1.026 -3.515 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.270 -2.602 -3.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.090 -0.918 -1.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.156 -2.055 -0.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.509 -0.529 -1.145 1.00 0.00 H new ATOM 102 N LYS A 10 -5.393 -0.864 -5.233 1.00 0.00 N ATOM 103 CA LYS A 10 -4.017 -0.427 -5.391 1.00 0.00 C ATOM 104 C LYS A 10 -3.257 -0.667 -4.085 1.00 0.00 C ATOM 105 O LYS A 10 -3.442 0.062 -3.111 1.00 0.00 O ATOM 106 CB LYS A 10 -3.968 1.024 -5.873 1.00 0.00 C ATOM 107 CG LYS A 10 -2.703 1.286 -6.694 1.00 0.00 C ATOM 108 CD LYS A 10 -3.053 1.811 -8.088 1.00 0.00 C ATOM 109 CE LYS A 10 -2.208 1.122 -9.161 1.00 0.00 C ATOM 110 NZ LYS A 10 -1.318 2.100 -9.826 1.00 0.00 N ATOM 0 H LYS A 10 -6.092 -0.205 -5.576 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.518 -1.012 -6.163 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.849 1.240 -6.477 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.996 1.697 -5.016 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.073 2.009 -6.177 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.125 0.366 -6.782 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.111 1.642 -8.289 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.889 2.888 -8.127 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.613 0.328 -8.710 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.859 0.653 -9.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.751 1.616 -10.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.892 2.843 -10.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.685 2.529 -9.121 1.00 0.00 H new ATOM 124 N PRO A 11 -2.395 -1.719 -4.106 1.00 0.00 N ATOM 125 CA PRO A 11 -1.606 -2.064 -2.936 1.00 0.00 C ATOM 126 C PRO A 11 -0.452 -1.078 -2.742 1.00 0.00 C ATOM 127 O PRO A 11 -0.205 -0.231 -3.598 1.00 0.00 O ATOM 128 CB PRO A 11 -1.135 -3.488 -3.185 1.00 0.00 C ATOM 129 CG PRO A 11 -1.285 -3.721 -4.679 1.00 0.00 C ATOM 130 CD PRO A 11 -2.150 -2.604 -5.241 1.00 0.00 C ATOM 0 HA PRO A 11 -2.178 -2.004 -2.010 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.099 -3.617 -2.872 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.731 -4.202 -2.617 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.309 -3.729 -5.164 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.743 -4.691 -4.870 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.643 -2.079 -6.050 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.083 -2.993 -5.649 1.00 0.00 H new ATOM 138 N PRO A 12 0.240 -1.226 -1.581 1.00 0.00 N ATOM 139 CA PRO A 12 1.362 -0.358 -1.264 1.00 0.00 C ATOM 140 C PRO A 12 2.596 -0.733 -2.088 1.00 0.00 C ATOM 141 O PRO A 12 2.510 -1.549 -3.004 1.00 0.00 O ATOM 142 CB PRO A 12 1.575 -0.522 0.233 1.00 0.00 C ATOM 143 CG PRO A 12 0.875 -1.816 0.614 1.00 0.00 C ATOM 144 CD PRO A 12 -0.025 -2.218 -0.544 1.00 0.00 C ATOM 0 HA PRO A 12 1.170 0.685 -1.514 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.637 -0.567 0.474 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.159 0.323 0.782 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.605 -2.599 0.819 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.289 -1.680 1.523 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.204 -3.225 -0.892 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.075 -2.213 -0.250 1.00 0.00 H new ATOM 152 N MET A 13 3.714 -0.119 -1.732 1.00 0.00 N ATOM 153 CA MET A 13 4.964 -0.378 -2.427 1.00 0.00 C ATOM 154 C MET A 13 6.112 -0.578 -1.436 1.00 0.00 C ATOM 155 O MET A 13 6.676 -1.667 -1.346 1.00 0.00 O ATOM 156 CB MET A 13 5.287 0.797 -3.352 1.00 0.00 C ATOM 157 CG MET A 13 4.314 0.850 -4.532 1.00 0.00 C ATOM 158 SD MET A 13 5.101 0.213 -6.002 1.00 0.00 S ATOM 159 CE MET A 13 6.057 1.642 -6.485 1.00 0.00 C ATOM 0 H MET A 13 3.781 0.557 -0.971 1.00 0.00 H new ATOM 0 HA MET A 13 4.850 -1.291 -3.011 1.00 0.00 H new ATOM 0 HB2 MET A 13 5.236 1.730 -2.791 1.00 0.00 H new ATOM 0 HB3 MET A 13 6.308 0.703 -3.722 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.422 0.266 -4.305 1.00 0.00 H new ATOM 0 HG3 MET A 13 3.989 1.877 -4.700 1.00 0.00 H new ATOM 0 HE1 MET A 13 6.615 1.416 -7.394 1.00 0.00 H new ATOM 0 HE2 MET A 13 5.388 2.482 -6.670 1.00 0.00 H new ATOM 0 HE3 MET A 13 6.753 1.901 -5.687 1.00 0.00 H new ATOM 169 N ASN A 14 6.423 0.490 -0.717 1.00 0.00 N ATOM 170 CA ASN A 14 7.493 0.446 0.265 1.00 0.00 C ATOM 171 C ASN A 14 6.912 0.074 1.631 1.00 0.00 C ATOM 172 O ASN A 14 5.695 -0.017 1.787 1.00 0.00 O ATOM 173 CB ASN A 14 8.176 1.808 0.397 1.00 0.00 C ATOM 174 CG ASN A 14 8.838 2.220 -0.920 1.00 0.00 C ATOM 175 OD1 ASN A 14 9.958 1.847 -1.225 1.00 0.00 O ATOM 176 ND2 ASN A 14 8.083 3.008 -1.681 1.00 0.00 N ATOM 0 H ASN A 14 5.953 1.392 -0.795 1.00 0.00 H new ATOM 0 HA ASN A 14 8.223 -0.293 -0.065 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.443 2.559 0.690 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.925 1.768 1.188 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.434 3.337 -2.580 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.153 3.283 -1.365 1.00 0.00 H new ATOM 183 N GLY A 15 7.809 -0.131 2.584 1.00 0.00 N ATOM 184 CA GLY A 15 7.400 -0.490 3.931 1.00 0.00 C ATOM 185 C GLY A 15 6.650 0.661 4.603 1.00 0.00 C ATOM 186 O GLY A 15 5.729 0.434 5.386 1.00 0.00 O ATOM 0 H GLY A 15 8.817 -0.055 2.450 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.762 -1.373 3.898 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.277 -0.752 4.523 1.00 0.00 H new ATOM 190 N TYR A 16 7.071 1.873 4.271 1.00 0.00 N ATOM 191 CA TYR A 16 6.450 3.061 4.832 1.00 0.00 C ATOM 192 C TYR A 16 4.964 3.124 4.475 1.00 0.00 C ATOM 193 O TYR A 16 4.108 3.099 5.357 1.00 0.00 O ATOM 194 CB TYR A 16 7.167 4.253 4.194 1.00 0.00 C ATOM 195 CG TYR A 16 6.620 5.614 4.630 1.00 0.00 C ATOM 196 CD1 TYR A 16 6.420 5.880 5.969 1.00 0.00 C ATOM 197 CD2 TYR A 16 6.327 6.575 3.684 1.00 0.00 C ATOM 198 CE1 TYR A 16 5.906 7.161 6.380 1.00 0.00 C ATOM 199 CE2 TYR A 16 5.813 7.856 4.095 1.00 0.00 C ATOM 200 CZ TYR A 16 5.628 8.085 5.422 1.00 0.00 C ATOM 201 OH TYR A 16 5.142 9.295 5.810 1.00 0.00 O ATOM 0 H TYR A 16 7.835 2.058 3.621 1.00 0.00 H new ATOM 0 HA TYR A 16 6.529 3.058 5.919 1.00 0.00 H new ATOM 0 HB2 TYR A 16 8.227 4.202 4.443 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.090 4.172 3.110 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.649 5.127 6.709 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.483 6.367 2.636 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.745 7.383 7.425 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.580 8.617 3.365 1.00 0.00 H new ATOM 0 HH TYR A 16 4.990 9.855 5.020 1.00 0.00 H new ATOM 211 N GLN A 17 4.703 3.204 3.178 1.00 0.00 N ATOM 212 CA GLN A 17 3.335 3.270 2.693 1.00 0.00 C ATOM 213 C GLN A 17 2.481 2.193 3.364 1.00 0.00 C ATOM 214 O GLN A 17 1.280 2.378 3.556 1.00 0.00 O ATOM 215 CB GLN A 17 3.286 3.138 1.169 1.00 0.00 C ATOM 216 CG GLN A 17 3.833 4.397 0.492 1.00 0.00 C ATOM 217 CD GLN A 17 3.440 4.439 -0.986 1.00 0.00 C ATOM 218 OE1 GLN A 17 3.462 3.252 -1.585 1.00 0.00 O flip ATOM 219 NE2 GLN A 17 3.138 5.480 -1.545 1.00 0.00 N flip ATOM 0 H GLN A 17 5.416 3.225 2.449 1.00 0.00 H new ATOM 0 HA GLN A 17 2.925 4.246 2.954 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.868 2.271 0.857 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.259 2.965 0.848 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.450 5.283 0.999 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.919 4.421 0.584 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.142 6.358 -1.025 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.882 5.473 -2.532 1.00 0.00 H new ATOM 228 N LYS A 18 3.134 1.091 3.703 1.00 0.00 N ATOM 229 CA LYS A 18 2.449 -0.016 4.349 1.00 0.00 C ATOM 230 C LYS A 18 2.062 0.390 5.772 1.00 0.00 C ATOM 231 O LYS A 18 0.880 0.431 6.110 1.00 0.00 O ATOM 232 CB LYS A 18 3.301 -1.285 4.282 1.00 0.00 C ATOM 233 CG LYS A 18 2.627 -2.438 5.028 1.00 0.00 C ATOM 234 CD LYS A 18 1.300 -2.817 4.368 1.00 0.00 C ATOM 235 CE LYS A 18 0.833 -4.200 4.828 1.00 0.00 C ATOM 236 NZ LYS A 18 0.576 -5.074 3.662 1.00 0.00 N ATOM 0 H LYS A 18 4.130 0.941 3.543 1.00 0.00 H new ATOM 0 HA LYS A 18 1.525 -0.252 3.822 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.461 -1.565 3.241 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.283 -1.092 4.715 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.290 -3.303 5.043 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.453 -2.152 6.065 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.542 -2.073 4.614 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.414 -2.810 3.284 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.590 -4.652 5.469 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.074 -4.104 5.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.577 -6.068 3.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.349 -4.839 3.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.319 -4.930 2.949 1.00 0.00 H new ATOM 250 N PHE A 19 3.081 0.680 6.569 1.00 0.00 N ATOM 251 CA PHE A 19 2.862 1.081 7.948 1.00 0.00 C ATOM 252 C PHE A 19 1.833 2.210 8.034 1.00 0.00 C ATOM 253 O PHE A 19 0.947 2.184 8.887 1.00 0.00 O ATOM 254 CB PHE A 19 4.202 1.587 8.485 1.00 0.00 C ATOM 255 CG PHE A 19 4.092 2.376 9.791 1.00 0.00 C ATOM 256 CD1 PHE A 19 3.664 1.758 10.925 1.00 0.00 C ATOM 257 CD2 PHE A 19 4.420 3.695 9.818 1.00 0.00 C ATOM 258 CE1 PHE A 19 3.562 2.490 12.137 1.00 0.00 C ATOM 259 CE2 PHE A 19 4.318 4.427 11.031 1.00 0.00 C ATOM 260 CZ PHE A 19 3.890 3.809 12.164 1.00 0.00 C ATOM 0 H PHE A 19 4.060 0.645 6.285 1.00 0.00 H new ATOM 0 HA PHE A 19 2.485 0.237 8.525 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.864 0.735 8.642 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.669 2.219 7.729 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.402 0.711 10.903 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.758 4.186 8.917 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.224 1.999 13.038 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.580 5.474 11.053 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.811 4.366 13.086 1.00 0.00 H new ATOM 270 N SER A 20 1.984 3.175 7.138 1.00 0.00 N ATOM 271 CA SER A 20 1.079 4.311 7.102 1.00 0.00 C ATOM 272 C SER A 20 -0.368 3.824 6.996 1.00 0.00 C ATOM 273 O SER A 20 -1.180 4.085 7.881 1.00 0.00 O ATOM 274 CB SER A 20 1.413 5.244 5.936 1.00 0.00 C ATOM 275 OG SER A 20 2.692 5.852 6.088 1.00 0.00 O ATOM 0 H SER A 20 2.720 3.193 6.432 1.00 0.00 H new ATOM 0 HA SER A 20 1.199 4.874 8.028 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.388 4.681 5.003 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.650 6.019 5.862 1.00 0.00 H new ATOM 0 HG SER A 20 3.392 5.189 5.912 1.00 0.00 H new ATOM 281 N GLN A 21 -0.645 3.126 5.904 1.00 0.00 N ATOM 282 CA GLN A 21 -1.979 2.601 5.671 1.00 0.00 C ATOM 283 C GLN A 21 -2.547 2.003 6.960 1.00 0.00 C ATOM 284 O GLN A 21 -3.755 2.049 7.190 1.00 0.00 O ATOM 285 CB GLN A 21 -1.972 1.567 4.543 1.00 0.00 C ATOM 286 CG GLN A 21 -2.530 2.164 3.249 1.00 0.00 C ATOM 287 CD GLN A 21 -3.840 1.480 2.850 1.00 0.00 C ATOM 288 OE1 GLN A 21 -3.886 0.301 2.542 1.00 0.00 O ATOM 289 NE2 GLN A 21 -4.898 2.285 2.874 1.00 0.00 N ATOM 0 H GLN A 21 0.032 2.912 5.171 1.00 0.00 H new ATOM 0 HA GLN A 21 -2.623 3.424 5.361 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.955 1.213 4.375 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.567 0.701 4.835 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.699 3.233 3.381 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.799 2.053 2.448 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.789 3.263 3.142 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.819 1.924 2.625 1.00 0.00 H new ATOM 298 N GLU A 22 -1.650 1.455 7.766 1.00 0.00 N ATOM 299 CA GLU A 22 -2.046 0.849 9.025 1.00 0.00 C ATOM 300 C GLU A 22 -2.559 1.919 9.991 1.00 0.00 C ATOM 301 O GLU A 22 -3.577 1.726 10.654 1.00 0.00 O ATOM 302 CB GLU A 22 -0.889 0.061 9.643 1.00 0.00 C ATOM 303 CG GLU A 22 -1.365 -1.299 10.157 1.00 0.00 C ATOM 304 CD GLU A 22 -0.945 -1.512 11.613 1.00 0.00 C ATOM 305 OE1 GLU A 22 0.165 -1.050 11.957 1.00 0.00 O ATOM 306 OE2 GLU A 22 -1.743 -2.132 12.349 1.00 0.00 O ATOM 0 H GLU A 22 -0.649 1.418 7.571 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.856 0.146 8.828 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.104 -0.081 8.901 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.453 0.631 10.463 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.450 -1.364 10.074 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.950 -2.092 9.535 1.00 0.00 H new ATOM 313 N LEU A 23 -1.829 3.024 10.041 1.00 0.00 N ATOM 314 CA LEU A 23 -2.197 4.125 10.915 1.00 0.00 C ATOM 315 C LEU A 23 -3.444 4.816 10.360 1.00 0.00 C ATOM 316 O LEU A 23 -4.236 5.376 11.116 1.00 0.00 O ATOM 317 CB LEU A 23 -1.010 5.068 11.118 1.00 0.00 C ATOM 318 CG LEU A 23 0.178 4.494 11.893 1.00 0.00 C ATOM 319 CD1 LEU A 23 1.504 4.963 11.291 1.00 0.00 C ATOM 320 CD2 LEU A 23 0.074 4.829 13.383 1.00 0.00 C ATOM 0 H LEU A 23 -0.985 3.180 9.490 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.453 3.754 11.908 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.657 5.392 10.139 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.363 5.957 11.640 1.00 0.00 H new ATOM 0 HG LEU A 23 0.151 3.408 11.804 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.332 4.541 11.861 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.570 4.632 10.255 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.556 6.051 11.328 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.930 4.410 13.911 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.062 5.911 13.513 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.845 4.405 13.788 1.00 0.00 H new ATOM 332 N LEU A 24 -3.580 4.754 9.044 1.00 0.00 N ATOM 333 CA LEU A 24 -4.717 5.368 8.379 1.00 0.00 C ATOM 334 C LEU A 24 -5.957 4.498 8.593 1.00 0.00 C ATOM 335 O LEU A 24 -7.080 5.001 8.590 1.00 0.00 O ATOM 336 CB LEU A 24 -4.398 5.631 6.905 1.00 0.00 C ATOM 337 CG LEU A 24 -3.394 6.751 6.626 1.00 0.00 C ATOM 338 CD1 LEU A 24 -3.464 7.199 5.165 1.00 0.00 C ATOM 339 CD2 LEU A 24 -3.593 7.920 7.594 1.00 0.00 C ATOM 0 H LEU A 24 -2.922 4.288 8.420 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.932 6.344 8.814 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.015 4.709 6.466 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.329 5.867 6.389 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.391 6.360 6.795 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.740 7.996 4.994 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.235 6.355 4.514 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.466 7.566 4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.867 8.702 7.374 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.601 8.319 7.481 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.453 7.573 8.618 1.00 0.00 H new ATOM 351 N SER A 25 -5.713 3.209 8.775 1.00 0.00 N ATOM 352 CA SER A 25 -6.797 2.265 8.991 1.00 0.00 C ATOM 353 C SER A 25 -7.005 2.042 10.490 1.00 0.00 C ATOM 354 O SER A 25 -8.074 1.603 10.913 1.00 0.00 O ATOM 355 CB SER A 25 -6.516 0.935 8.291 1.00 0.00 C ATOM 356 OG SER A 25 -7.569 -0.005 8.487 1.00 0.00 O ATOM 0 H SER A 25 -4.781 2.796 8.777 1.00 0.00 H new ATOM 0 HA SER A 25 -7.707 2.685 8.563 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.379 1.109 7.224 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.582 0.517 8.668 1.00 0.00 H new ATOM 0 HG SER A 25 -7.352 -0.841 8.023 1.00 0.00 H new ATOM 362 N ASN A 26 -5.968 2.355 11.253 1.00 0.00 N ATOM 363 CA ASN A 26 -6.024 2.194 12.696 1.00 0.00 C ATOM 364 C ASN A 26 -6.851 3.331 13.299 1.00 0.00 C ATOM 365 O ASN A 26 -7.874 3.088 13.938 1.00 0.00 O ATOM 366 CB ASN A 26 -4.625 2.250 13.311 1.00 0.00 C ATOM 367 CG ASN A 26 -3.878 0.932 13.095 1.00 0.00 C ATOM 368 OD1 ASN A 26 -2.581 1.081 12.840 1.00 0.00 O flip ATOM 369 ND2 ASN A 26 -4.442 -0.148 13.155 1.00 0.00 N flip ATOM 0 H ASN A 26 -5.084 2.719 10.899 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.473 1.224 12.910 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.061 3.069 12.866 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.701 2.458 14.378 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.441 -0.191 13.355 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.914 -1.008 13.005 1.00 0.00 H new ATOM 376 N GLY A 27 -6.378 4.548 13.075 1.00 0.00 N ATOM 377 CA GLY A 27 -7.061 5.723 13.589 1.00 0.00 C ATOM 378 C GLY A 27 -6.383 6.240 14.860 1.00 0.00 C ATOM 379 O GLY A 27 -7.036 6.826 15.721 1.00 0.00 O ATOM 0 H GLY A 27 -5.530 4.746 12.544 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.065 6.506 12.831 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.102 5.479 13.801 1.00 0.00 H new ATOM 383 N GLU A 28 -5.082 6.003 14.936 1.00 0.00 N ATOM 384 CA GLU A 28 -4.309 6.437 16.087 1.00 0.00 C ATOM 385 C GLU A 28 -4.079 7.949 16.032 1.00 0.00 C ATOM 386 O GLU A 28 -3.978 8.603 17.069 1.00 0.00 O ATOM 387 CB GLU A 28 -2.980 5.683 16.170 1.00 0.00 C ATOM 388 CG GLU A 28 -3.091 4.303 15.519 1.00 0.00 C ATOM 389 CD GLU A 28 -2.164 3.297 16.205 1.00 0.00 C ATOM 390 OE1 GLU A 28 -2.207 3.246 17.453 1.00 0.00 O ATOM 391 OE2 GLU A 28 -1.434 2.602 15.466 1.00 0.00 O ATOM 0 H GLU A 28 -4.544 5.516 14.219 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.876 6.208 16.989 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.199 6.260 15.676 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.684 5.574 17.213 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.121 3.952 15.577 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.837 4.374 14.461 1.00 0.00 H new ATOM 398 N LEU A 29 -4.002 8.460 14.812 1.00 0.00 N ATOM 399 CA LEU A 29 -3.786 9.882 14.609 1.00 0.00 C ATOM 400 C LEU A 29 -5.032 10.496 13.967 1.00 0.00 C ATOM 401 O LEU A 29 -4.925 11.347 13.086 1.00 0.00 O ATOM 402 CB LEU A 29 -2.502 10.120 13.812 1.00 0.00 C ATOM 403 CG LEU A 29 -1.517 8.951 13.761 1.00 0.00 C ATOM 404 CD1 LEU A 29 -0.606 9.054 12.537 1.00 0.00 C ATOM 405 CD2 LEU A 29 -0.719 8.850 15.063 1.00 0.00 C ATOM 0 H LEU A 29 -4.085 7.914 13.954 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.638 10.386 15.564 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.776 10.383 12.790 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.989 10.983 14.237 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.088 8.028 13.660 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.084 8.211 12.525 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.211 9.040 11.631 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.041 9.985 12.581 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.026 8.011 15.001 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.159 9.772 15.219 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.403 8.695 15.898 1.00 0.00 H new ATOM 417 N ASN A 30 -6.185 10.041 14.435 1.00 0.00 N ATOM 418 CA ASN A 30 -7.449 10.535 13.918 1.00 0.00 C ATOM 419 C ASN A 30 -7.881 11.762 14.724 1.00 0.00 C ATOM 420 O ASN A 30 -8.939 12.335 14.470 1.00 0.00 O ATOM 421 CB ASN A 30 -8.547 9.477 14.043 1.00 0.00 C ATOM 422 CG ASN A 30 -8.885 8.872 12.679 1.00 0.00 C ATOM 423 OD1 ASN A 30 -7.819 8.551 11.951 1.00 0.00 O flip ATOM 424 ND2 ASN A 30 -10.036 8.708 12.312 1.00 0.00 N flip ATOM 0 H ASN A 30 -6.270 9.335 15.167 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.308 10.786 12.867 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.222 8.690 14.723 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.441 9.925 14.477 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.809 8.977 12.921 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.226 8.302 11.396 1.00 0.00 H new ATOM 431 N HIS A 31 -7.039 12.128 15.679 1.00 0.00 N ATOM 432 CA HIS A 31 -7.321 13.276 16.524 1.00 0.00 C ATOM 433 C HIS A 31 -6.909 14.560 15.800 1.00 0.00 C ATOM 434 O HIS A 31 -7.439 15.633 16.082 1.00 0.00 O ATOM 435 CB HIS A 31 -6.648 13.124 17.890 1.00 0.00 C ATOM 436 CG HIS A 31 -5.171 12.817 17.816 1.00 0.00 C ATOM 437 ND1 HIS A 31 -4.681 11.546 17.568 1.00 0.00 N ATOM 438 CD2 HIS A 31 -4.083 13.627 17.958 1.00 0.00 C ATOM 439 CE1 HIS A 31 -3.357 11.601 17.565 1.00 0.00 C ATOM 440 NE2 HIS A 31 -2.989 12.892 17.807 1.00 0.00 N ATOM 0 H HIS A 31 -6.162 11.650 15.886 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.392 13.336 16.716 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -6.790 14.044 18.458 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -7.147 12.328 18.443 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -4.108 14.688 18.159 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -2.687 10.770 17.400 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -2.030 13.236 17.863 1.00 0.00 H new ATOM 448 N LEU A 32 -5.966 14.406 14.881 1.00 0.00 N ATOM 449 CA LEU A 32 -5.477 15.539 14.115 1.00 0.00 C ATOM 450 C LEU A 32 -5.947 15.409 12.664 1.00 0.00 C ATOM 451 O LEU A 32 -6.482 14.374 12.272 1.00 0.00 O ATOM 452 CB LEU A 32 -3.960 15.670 14.261 1.00 0.00 C ATOM 453 CG LEU A 32 -3.238 14.465 14.868 1.00 0.00 C ATOM 454 CD1 LEU A 32 -3.035 13.365 13.825 1.00 0.00 C ATOM 455 CD2 LEU A 32 -1.920 14.887 15.521 1.00 0.00 C ATOM 0 H LEU A 32 -5.528 13.514 14.650 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.892 16.469 14.503 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.536 15.864 13.276 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.748 16.544 14.877 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.868 14.050 15.655 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.520 12.520 14.283 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.004 13.038 13.448 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.436 13.752 13.000 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.427 14.012 15.944 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.272 15.341 14.772 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.121 15.609 16.313 1.00 0.00 H new ATOM 467 N PRO A 33 -5.723 16.503 11.887 1.00 0.00 N ATOM 468 CA PRO A 33 -6.117 16.521 10.489 1.00 0.00 C ATOM 469 C PRO A 33 -5.162 15.679 9.640 1.00 0.00 C ATOM 470 O PRO A 33 -4.079 15.315 10.094 1.00 0.00 O ATOM 471 CB PRO A 33 -6.120 17.990 10.100 1.00 0.00 C ATOM 472 CG PRO A 33 -5.284 18.701 11.151 1.00 0.00 C ATOM 473 CD PRO A 33 -5.091 17.747 12.318 1.00 0.00 C ATOM 0 HA PRO A 33 -7.098 16.077 10.322 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.699 18.131 9.105 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.135 18.385 10.075 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.320 18.996 10.736 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.782 19.613 11.482 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.034 17.599 12.538 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -5.554 18.133 13.226 1.00 0.00 H new ATOM 481 N LEU A 34 -5.599 15.395 8.422 1.00 0.00 N ATOM 482 CA LEU A 34 -4.797 14.603 7.505 1.00 0.00 C ATOM 483 C LEU A 34 -3.403 15.223 7.387 1.00 0.00 C ATOM 484 O LEU A 34 -2.400 14.554 7.632 1.00 0.00 O ATOM 485 CB LEU A 34 -5.515 14.446 6.163 1.00 0.00 C ATOM 486 CG LEU A 34 -4.899 13.444 5.185 1.00 0.00 C ATOM 487 CD1 LEU A 34 -3.383 13.632 5.089 1.00 0.00 C ATOM 488 CD2 LEU A 34 -5.276 12.009 5.561 1.00 0.00 C ATOM 0 H LEU A 34 -6.498 15.699 8.049 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.666 13.592 7.890 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.545 14.147 6.358 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.552 15.421 5.677 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.310 13.636 4.194 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.970 12.907 4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.163 14.641 4.740 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.935 13.482 6.071 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.826 11.316 4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.911 11.788 6.564 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.360 11.899 5.537 1.00 0.00 H new ATOM 500 N LYS A 35 -3.385 16.494 7.013 1.00 0.00 N ATOM 501 CA LYS A 35 -2.131 17.211 6.860 1.00 0.00 C ATOM 502 C LYS A 35 -1.195 16.845 8.015 1.00 0.00 C ATOM 503 O LYS A 35 0.025 16.876 7.863 1.00 0.00 O ATOM 504 CB LYS A 35 -2.386 18.714 6.728 1.00 0.00 C ATOM 505 CG LYS A 35 -1.069 19.494 6.705 1.00 0.00 C ATOM 506 CD LYS A 35 -0.566 19.678 5.272 1.00 0.00 C ATOM 507 CE LYS A 35 0.367 20.886 5.170 1.00 0.00 C ATOM 508 NZ LYS A 35 -0.051 21.772 4.061 1.00 0.00 N ATOM 0 H LYS A 35 -4.219 17.046 6.811 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.632 16.913 5.938 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.946 18.913 5.814 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.001 19.057 7.560 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.211 20.468 7.172 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.319 18.965 7.293 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.040 18.779 4.949 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.413 19.811 4.599 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.358 21.440 6.109 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.391 20.549 5.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.593 22.587 4.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.020 21.245 3.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.020 22.108 4.232 1.00 0.00 H new ATOM 522 N GLU A 36 -1.803 16.508 9.143 1.00 0.00 N ATOM 523 CA GLU A 36 -1.040 16.137 10.322 1.00 0.00 C ATOM 524 C GLU A 36 -0.782 14.629 10.334 1.00 0.00 C ATOM 525 O GLU A 36 0.356 14.192 10.501 1.00 0.00 O ATOM 526 CB GLU A 36 -1.754 16.581 11.600 1.00 0.00 C ATOM 527 CG GLU A 36 -1.465 18.052 11.907 1.00 0.00 C ATOM 528 CD GLU A 36 -1.077 18.239 13.375 1.00 0.00 C ATOM 529 OE1 GLU A 36 -1.996 18.162 14.219 1.00 0.00 O ATOM 530 OE2 GLU A 36 0.129 18.455 13.620 1.00 0.00 O ATOM 0 H GLU A 36 -2.815 16.484 9.265 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.079 16.650 10.285 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.828 16.433 11.491 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.430 15.961 12.436 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.659 18.410 11.266 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.345 18.654 11.680 1.00 0.00 H new ATOM 537 N ARG A 37 -1.857 13.875 10.155 1.00 0.00 N ATOM 538 CA ARG A 37 -1.761 12.425 10.143 1.00 0.00 C ATOM 539 C ARG A 37 -0.488 11.984 9.417 1.00 0.00 C ATOM 540 O ARG A 37 0.400 11.385 10.023 1.00 0.00 O ATOM 541 CB ARG A 37 -2.975 11.799 9.456 1.00 0.00 C ATOM 542 CG ARG A 37 -4.129 11.614 10.444 1.00 0.00 C ATOM 543 CD ARG A 37 -5.404 11.174 9.721 1.00 0.00 C ATOM 544 NE ARG A 37 -6.504 12.120 10.013 1.00 0.00 N ATOM 545 CZ ARG A 37 -7.799 11.857 9.795 1.00 0.00 C ATOM 546 NH1 ARG A 37 -8.166 10.675 9.282 1.00 0.00 N ATOM 547 NH2 ARG A 37 -8.729 12.776 10.091 1.00 0.00 N ATOM 0 H ARG A 37 -2.799 14.241 10.017 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.729 12.086 11.178 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.297 12.433 8.630 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.699 10.835 9.029 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.856 10.870 11.193 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.312 12.548 10.975 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.226 11.131 8.646 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.684 10.169 10.038 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.261 13.030 10.405 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.459 9.975 9.057 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.152 10.475 9.116 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.450 13.676 10.482 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.715 12.575 9.925 1.00 0.00 H new ATOM 561 N MET A 38 -0.441 12.295 8.131 1.00 0.00 N ATOM 562 CA MET A 38 0.708 11.938 7.316 1.00 0.00 C ATOM 563 C MET A 38 2.016 12.288 8.029 1.00 0.00 C ATOM 564 O MET A 38 2.754 11.399 8.451 1.00 0.00 O ATOM 565 CB MET A 38 0.639 12.682 5.981 1.00 0.00 C ATOM 566 CG MET A 38 -0.408 12.055 5.058 1.00 0.00 C ATOM 567 SD MET A 38 0.365 10.861 3.980 1.00 0.00 S ATOM 568 CE MET A 38 -0.035 9.354 4.849 1.00 0.00 C ATOM 0 H MET A 38 -1.180 12.791 7.632 1.00 0.00 H new ATOM 0 HA MET A 38 0.687 10.862 7.143 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.394 13.729 6.156 1.00 0.00 H new ATOM 0 HB3 MET A 38 1.616 12.660 5.497 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.185 11.572 5.651 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.894 12.831 4.466 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.108 8.532 4.137 1.00 0.00 H new ATOM 0 HE2 MET A 38 0.747 9.135 5.577 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.988 9.473 5.365 1.00 0.00 H new ATOM 578 N VAL A 39 2.263 13.585 8.141 1.00 0.00 N ATOM 579 CA VAL A 39 3.468 14.064 8.795 1.00 0.00 C ATOM 580 C VAL A 39 3.681 13.287 10.096 1.00 0.00 C ATOM 581 O VAL A 39 4.775 12.788 10.353 1.00 0.00 O ATOM 582 CB VAL A 39 3.382 15.576 9.010 1.00 0.00 C ATOM 583 CG1 VAL A 39 2.072 15.958 9.702 1.00 0.00 C ATOM 584 CG2 VAL A 39 4.589 16.088 9.799 1.00 0.00 C ATOM 0 H VAL A 39 1.648 14.319 7.789 1.00 0.00 H new ATOM 0 HA VAL A 39 4.339 13.888 8.164 1.00 0.00 H new ATOM 0 HB VAL A 39 3.395 16.054 8.031 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.036 17.038 9.843 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.230 15.645 9.085 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.015 15.464 10.672 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.503 17.166 9.938 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.622 15.598 10.772 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.504 15.865 9.250 1.00 0.00 H new ATOM 594 N GLU A 40 2.616 13.208 10.881 1.00 0.00 N ATOM 595 CA GLU A 40 2.672 12.499 12.148 1.00 0.00 C ATOM 596 C GLU A 40 3.199 11.078 11.940 1.00 0.00 C ATOM 597 O GLU A 40 4.029 10.600 12.712 1.00 0.00 O ATOM 598 CB GLU A 40 1.301 12.482 12.827 1.00 0.00 C ATOM 599 CG GLU A 40 1.438 12.641 14.343 1.00 0.00 C ATOM 600 CD GLU A 40 2.120 13.964 14.696 1.00 0.00 C ATOM 601 OE1 GLU A 40 1.383 14.967 14.819 1.00 0.00 O ATOM 602 OE2 GLU A 40 3.362 13.944 14.834 1.00 0.00 O ATOM 0 H GLU A 40 1.710 13.623 10.664 1.00 0.00 H new ATOM 0 HA GLU A 40 3.361 13.027 12.807 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.683 13.287 12.428 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.791 11.546 12.601 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.453 12.601 14.807 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.016 11.810 14.749 1.00 0.00 H new ATOM 609 N ILE A 41 2.697 10.443 10.891 1.00 0.00 N ATOM 610 CA ILE A 41 3.106 9.086 10.571 1.00 0.00 C ATOM 611 C ILE A 41 4.619 9.055 10.346 1.00 0.00 C ATOM 612 O ILE A 41 5.341 8.349 11.050 1.00 0.00 O ATOM 613 CB ILE A 41 2.297 8.547 9.390 1.00 0.00 C ATOM 614 CG1 ILE A 41 0.804 8.505 9.721 1.00 0.00 C ATOM 615 CG2 ILE A 41 2.824 7.182 8.943 1.00 0.00 C ATOM 616 CD1 ILE A 41 -0.042 8.741 8.469 1.00 0.00 C ATOM 0 H ILE A 41 2.011 10.843 10.252 1.00 0.00 H new ATOM 0 HA ILE A 41 2.893 8.417 11.404 1.00 0.00 H new ATOM 0 HB ILE A 41 2.421 9.231 8.550 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.552 7.539 10.158 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.572 9.263 10.469 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.232 6.821 8.102 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.866 7.276 8.639 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.750 6.475 9.769 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.099 8.706 8.732 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.195 9.718 8.049 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.174 7.967 7.733 1.00 0.00 H new ATOM 628 N GLY A 42 5.055 9.828 9.363 1.00 0.00 N ATOM 629 CA GLY A 42 6.469 9.898 9.036 1.00 0.00 C ATOM 630 C GLY A 42 7.328 9.825 10.300 1.00 0.00 C ATOM 631 O GLY A 42 8.433 9.286 10.274 1.00 0.00 O ATOM 0 H GLY A 42 4.454 10.412 8.782 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.732 9.080 8.366 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.677 10.826 8.503 1.00 0.00 H new ATOM 635 N SER A 43 6.788 10.377 11.377 1.00 0.00 N ATOM 636 CA SER A 43 7.491 10.381 12.648 1.00 0.00 C ATOM 637 C SER A 43 7.490 8.975 13.252 1.00 0.00 C ATOM 638 O SER A 43 8.545 8.439 13.587 1.00 0.00 O ATOM 639 CB SER A 43 6.860 11.378 13.623 1.00 0.00 C ATOM 640 OG SER A 43 7.835 12.218 14.233 1.00 0.00 O ATOM 0 H SER A 43 5.872 10.825 11.395 1.00 0.00 H new ATOM 0 HA SER A 43 8.520 10.691 12.468 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.133 11.993 13.093 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.315 10.835 14.395 1.00 0.00 H new ATOM 0 HG SER A 43 7.392 12.841 14.847 1.00 0.00 H new ATOM 646 N ARG A 44 6.294 8.419 13.373 1.00 0.00 N ATOM 647 CA ARG A 44 6.142 7.085 13.930 1.00 0.00 C ATOM 648 C ARG A 44 6.922 6.068 13.095 1.00 0.00 C ATOM 649 O ARG A 44 7.403 5.066 13.621 1.00 0.00 O ATOM 650 CB ARG A 44 4.669 6.673 13.978 1.00 0.00 C ATOM 651 CG ARG A 44 3.861 7.627 14.860 1.00 0.00 C ATOM 652 CD ARG A 44 2.727 6.887 15.572 1.00 0.00 C ATOM 653 NE ARG A 44 3.235 6.252 16.809 1.00 0.00 N ATOM 654 CZ ARG A 44 2.588 5.288 17.479 1.00 0.00 C ATOM 655 NH1 ARG A 44 1.405 4.842 17.035 1.00 0.00 N ATOM 656 NH2 ARG A 44 3.125 4.770 18.592 1.00 0.00 N ATOM 0 H ARG A 44 5.421 8.867 13.095 1.00 0.00 H new ATOM 0 HA ARG A 44 6.536 7.104 14.946 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.256 6.667 12.969 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.584 5.657 14.363 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.517 8.090 15.597 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.449 8.431 14.250 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.923 7.583 15.814 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.305 6.130 14.912 1.00 0.00 H new ATOM 0 HE ARG A 44 4.133 6.568 17.174 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.997 5.236 16.187 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.913 4.108 17.545 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.026 5.109 18.929 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.633 4.036 19.102 1.00 0.00 H new ATOM 670 N TRP A 45 7.023 6.362 11.807 1.00 0.00 N ATOM 671 CA TRP A 45 7.737 5.486 10.893 1.00 0.00 C ATOM 672 C TRP A 45 9.230 5.586 11.212 1.00 0.00 C ATOM 673 O TRP A 45 9.965 4.609 11.072 1.00 0.00 O ATOM 674 CB TRP A 45 7.412 5.829 9.438 1.00 0.00 C ATOM 675 CG TRP A 45 8.328 5.148 8.419 1.00 0.00 C ATOM 676 CD1 TRP A 45 9.399 5.662 7.800 1.00 0.00 C ATOM 677 CD2 TRP A 45 8.208 3.798 7.922 1.00 0.00 C ATOM 678 NE1 TRP A 45 9.976 4.745 6.944 1.00 0.00 N ATOM 679 CE2 TRP A 45 9.229 3.576 7.021 1.00 0.00 C ATOM 680 CE3 TRP A 45 7.267 2.797 8.225 1.00 0.00 C ATOM 681 CZ2 TRP A 45 9.407 2.361 6.349 1.00 0.00 C ATOM 682 CZ3 TRP A 45 7.459 1.589 7.545 1.00 0.00 C ATOM 683 CH2 TRP A 45 8.482 1.350 6.634 1.00 0.00 C ATOM 0 H TRP A 45 6.622 7.194 11.375 1.00 0.00 H new ATOM 0 HA TRP A 45 7.421 4.451 11.025 1.00 0.00 H new ATOM 0 HB2 TRP A 45 6.380 5.545 9.230 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.478 6.909 9.306 1.00 0.00 H new ATOM 0 HD1 TRP A 45 9.765 6.667 7.951 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.800 4.898 6.362 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.460 2.949 8.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 10.215 2.212 5.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.764 0.786 7.742 1.00 0.00 H new ATOM 0 HH2 TRP A 45 8.562 0.389 6.149 1.00 0.00 H new ATOM 694 N GLN A 46 9.634 6.774 11.635 1.00 0.00 N ATOM 695 CA GLN A 46 11.026 7.014 11.975 1.00 0.00 C ATOM 696 C GLN A 46 11.318 6.525 13.395 1.00 0.00 C ATOM 697 O GLN A 46 12.453 6.606 13.863 1.00 0.00 O ATOM 698 CB GLN A 46 11.381 8.495 11.821 1.00 0.00 C ATOM 699 CG GLN A 46 11.829 8.805 10.392 1.00 0.00 C ATOM 700 CD GLN A 46 13.333 9.086 10.338 1.00 0.00 C ATOM 701 OE1 GLN A 46 13.800 10.165 10.663 1.00 0.00 O ATOM 702 NE2 GLN A 46 14.060 8.059 9.910 1.00 0.00 N ATOM 0 H GLN A 46 9.022 7.582 11.750 1.00 0.00 H new ATOM 0 HA GLN A 46 11.651 6.450 11.282 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.517 9.108 12.076 1.00 0.00 H new ATOM 0 HB3 GLN A 46 12.175 8.757 12.520 1.00 0.00 H new ATOM 0 HG2 GLN A 46 11.589 7.964 9.741 1.00 0.00 H new ATOM 0 HG3 GLN A 46 11.280 9.668 10.014 1.00 0.00 H new ATOM 0 HE21 GLN A 46 13.604 7.183 9.654 1.00 0.00 H new ATOM 0 HE22 GLN A 46 15.074 8.147 9.838 1.00 0.00 H new ATOM 711 N ARG A 47 10.273 6.030 14.042 1.00 0.00 N ATOM 712 CA ARG A 47 10.403 5.528 15.400 1.00 0.00 C ATOM 713 C ARG A 47 10.734 4.034 15.384 1.00 0.00 C ATOM 714 O ARG A 47 11.711 3.605 15.996 1.00 0.00 O ATOM 715 CB ARG A 47 9.114 5.749 16.194 1.00 0.00 C ATOM 716 CG ARG A 47 8.942 7.224 16.561 1.00 0.00 C ATOM 717 CD ARG A 47 7.626 7.454 17.307 1.00 0.00 C ATOM 718 NE ARG A 47 7.854 7.390 18.767 1.00 0.00 N ATOM 719 CZ ARG A 47 6.903 7.604 19.686 1.00 0.00 C ATOM 720 NH1 ARG A 47 5.654 7.897 19.302 1.00 0.00 N ATOM 721 NH2 ARG A 47 7.201 7.524 20.990 1.00 0.00 N ATOM 0 H ARG A 47 9.333 5.966 13.651 1.00 0.00 H new ATOM 0 HA ARG A 47 11.212 6.078 15.881 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.259 5.415 15.606 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.133 5.145 17.101 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.777 7.548 17.182 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.963 7.832 15.657 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.211 8.425 17.038 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.895 6.702 17.012 1.00 0.00 H new ATOM 0 HE ARG A 47 8.794 7.169 19.095 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.426 7.957 18.310 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.930 8.060 20.002 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.152 7.300 21.283 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.477 7.687 21.690 1.00 0.00 H new ATOM 735 N ILE A 48 9.902 3.283 14.678 1.00 0.00 N ATOM 736 CA ILE A 48 10.094 1.847 14.574 1.00 0.00 C ATOM 737 C ILE A 48 11.556 1.556 14.227 1.00 0.00 C ATOM 738 O ILE A 48 12.334 2.476 13.983 1.00 0.00 O ATOM 739 CB ILE A 48 9.095 1.242 13.586 1.00 0.00 C ATOM 740 CG1 ILE A 48 9.175 1.942 12.228 1.00 0.00 C ATOM 741 CG2 ILE A 48 7.677 1.263 14.159 1.00 0.00 C ATOM 742 CD1 ILE A 48 8.164 1.349 11.245 1.00 0.00 C ATOM 0 H ILE A 48 9.093 3.643 14.172 1.00 0.00 H new ATOM 0 HA ILE A 48 9.891 1.366 15.531 1.00 0.00 H new ATOM 0 HB ILE A 48 9.362 0.197 13.426 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.984 3.008 12.353 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.182 1.844 11.823 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.986 0.827 13.437 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.649 0.685 15.082 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.384 2.292 14.366 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.242 1.865 10.288 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.373 0.288 11.104 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.156 1.471 11.642 1.00 0.00 H new ATOM 754 N SER A 49 11.884 0.272 14.215 1.00 0.00 N ATOM 755 CA SER A 49 13.238 -0.151 13.902 1.00 0.00 C ATOM 756 C SER A 49 13.282 -0.770 12.503 1.00 0.00 C ATOM 757 O SER A 49 12.285 -0.756 11.782 1.00 0.00 O ATOM 758 CB SER A 49 13.758 -1.148 14.939 1.00 0.00 C ATOM 759 OG SER A 49 13.921 -0.547 16.221 1.00 0.00 O ATOM 0 H SER A 49 11.235 -0.489 14.417 1.00 0.00 H new ATOM 0 HA SER A 49 13.884 0.726 13.926 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.065 -1.986 15.017 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.713 -1.554 14.605 1.00 0.00 H new ATOM 0 HG SER A 49 14.253 -1.216 16.856 1.00 0.00 H new ATOM 765 N GLN A 50 14.448 -1.298 12.161 1.00 0.00 N ATOM 766 CA GLN A 50 14.635 -1.920 10.861 1.00 0.00 C ATOM 767 C GLN A 50 13.582 -3.008 10.637 1.00 0.00 C ATOM 768 O GLN A 50 12.901 -3.016 9.613 1.00 0.00 O ATOM 769 CB GLN A 50 16.049 -2.489 10.724 1.00 0.00 C ATOM 770 CG GLN A 50 16.278 -3.055 9.321 1.00 0.00 C ATOM 771 CD GLN A 50 15.942 -2.016 8.249 1.00 0.00 C ATOM 772 OE1 GLN A 50 14.672 -2.038 7.854 1.00 0.00 O flip ATOM 773 NE2 GLN A 50 16.780 -1.246 7.810 1.00 0.00 N flip ATOM 0 H GLN A 50 15.273 -1.308 12.761 1.00 0.00 H new ATOM 0 HA GLN A 50 14.510 -1.157 10.093 1.00 0.00 H new ATOM 0 HB2 GLN A 50 16.781 -1.708 10.929 1.00 0.00 H new ATOM 0 HB3 GLN A 50 16.203 -3.273 11.466 1.00 0.00 H new ATOM 0 HG2 GLN A 50 17.317 -3.368 9.216 1.00 0.00 H new ATOM 0 HG3 GLN A 50 15.662 -3.943 9.178 1.00 0.00 H new ATOM 0 HE21 GLN A 50 17.738 -1.283 8.158 1.00 0.00 H new ATOM 0 HE22 GLN A 50 16.522 -0.565 7.095 1.00 0.00 H new ATOM 782 N SER A 51 13.482 -3.900 11.612 1.00 0.00 N ATOM 783 CA SER A 51 12.524 -4.989 11.534 1.00 0.00 C ATOM 784 C SER A 51 11.236 -4.506 10.865 1.00 0.00 C ATOM 785 O SER A 51 10.888 -4.963 9.777 1.00 0.00 O ATOM 786 CB SER A 51 12.222 -5.557 12.922 1.00 0.00 C ATOM 787 OG SER A 51 11.048 -6.365 12.924 1.00 0.00 O ATOM 0 H SER A 51 14.049 -3.890 12.460 1.00 0.00 H new ATOM 0 HA SER A 51 12.960 -5.786 10.933 1.00 0.00 H new ATOM 0 HB2 SER A 51 13.071 -6.150 13.264 1.00 0.00 H new ATOM 0 HB3 SER A 51 12.099 -4.738 13.630 1.00 0.00 H new ATOM 0 HG SER A 51 10.890 -6.710 13.827 1.00 0.00 H new ATOM 793 N GLN A 52 10.562 -3.589 11.544 1.00 0.00 N ATOM 794 CA GLN A 52 9.320 -3.039 11.029 1.00 0.00 C ATOM 795 C GLN A 52 9.475 -2.668 9.553 1.00 0.00 C ATOM 796 O GLN A 52 8.922 -3.334 8.680 1.00 0.00 O ATOM 797 CB GLN A 52 8.871 -1.832 11.854 1.00 0.00 C ATOM 798 CG GLN A 52 7.522 -2.097 12.525 1.00 0.00 C ATOM 799 CD GLN A 52 7.501 -3.474 13.191 1.00 0.00 C ATOM 800 OE1 GLN A 52 8.520 -4.016 13.586 1.00 0.00 O ATOM 801 NE2 GLN A 52 6.287 -4.008 13.293 1.00 0.00 N ATOM 0 H GLN A 52 10.853 -3.213 12.447 1.00 0.00 H new ATOM 0 HA GLN A 52 8.546 -3.802 11.112 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.620 -1.607 12.613 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.795 -0.955 11.211 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.325 -1.326 13.270 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.725 -2.036 11.784 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.475 -3.500 12.941 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.168 -4.925 13.723 1.00 0.00 H new ATOM 810 N LYS A 53 10.231 -1.604 9.320 1.00 0.00 N ATOM 811 CA LYS A 53 10.466 -1.136 7.965 1.00 0.00 C ATOM 812 C LYS A 53 10.658 -2.340 7.040 1.00 0.00 C ATOM 813 O LYS A 53 10.096 -2.383 5.946 1.00 0.00 O ATOM 814 CB LYS A 53 11.631 -0.145 7.935 1.00 0.00 C ATOM 815 CG LYS A 53 11.301 1.114 8.738 1.00 0.00 C ATOM 816 CD LYS A 53 12.470 2.102 8.714 1.00 0.00 C ATOM 817 CE LYS A 53 11.974 3.541 8.866 1.00 0.00 C ATOM 818 NZ LYS A 53 12.563 4.167 10.071 1.00 0.00 N ATOM 0 H LYS A 53 10.688 -1.053 10.047 1.00 0.00 H new ATOM 0 HA LYS A 53 9.600 -0.586 7.596 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.525 -0.617 8.343 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.856 0.126 6.903 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.410 1.589 8.327 1.00 0.00 H new ATOM 0 HG3 LYS A 53 11.071 0.843 9.768 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.166 1.867 9.519 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.018 1.999 7.778 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.240 4.119 7.981 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.886 3.552 8.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.810 4.377 10.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.250 3.515 10.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.043 5.050 9.804 1.00 0.00 H new ATOM 832 N GLU A 54 11.453 -3.288 7.513 1.00 0.00 N ATOM 833 CA GLU A 54 11.727 -4.489 6.742 1.00 0.00 C ATOM 834 C GLU A 54 10.431 -5.263 6.488 1.00 0.00 C ATOM 835 O GLU A 54 10.017 -5.428 5.342 1.00 0.00 O ATOM 836 CB GLU A 54 12.762 -5.369 7.446 1.00 0.00 C ATOM 837 CG GLU A 54 14.175 -5.054 6.952 1.00 0.00 C ATOM 838 CD GLU A 54 14.551 -5.941 5.763 1.00 0.00 C ATOM 839 OE1 GLU A 54 13.845 -5.842 4.736 1.00 0.00 O ATOM 840 OE2 GLU A 54 15.535 -6.698 5.908 1.00 0.00 O ATOM 0 H GLU A 54 11.916 -3.249 8.421 1.00 0.00 H new ATOM 0 HA GLU A 54 12.145 -4.192 5.780 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.706 -5.212 8.523 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.535 -6.420 7.265 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.237 -4.005 6.662 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.889 -5.204 7.762 1.00 0.00 H new ATOM 847 N HIS A 55 9.828 -5.717 7.577 1.00 0.00 N ATOM 848 CA HIS A 55 8.588 -6.469 7.487 1.00 0.00 C ATOM 849 C HIS A 55 7.648 -5.792 6.489 1.00 0.00 C ATOM 850 O HIS A 55 7.364 -6.342 5.425 1.00 0.00 O ATOM 851 CB HIS A 55 7.957 -6.645 8.870 1.00 0.00 C ATOM 852 CG HIS A 55 6.831 -7.651 8.908 1.00 0.00 C ATOM 853 ND1 HIS A 55 6.850 -8.825 8.177 1.00 0.00 N ATOM 854 CD2 HIS A 55 5.654 -7.645 9.598 1.00 0.00 C ATOM 855 CE1 HIS A 55 5.730 -9.488 8.422 1.00 0.00 C ATOM 856 NE2 HIS A 55 4.990 -8.755 9.302 1.00 0.00 N ATOM 0 H HIS A 55 10.175 -5.579 8.526 1.00 0.00 H new ATOM 0 HA HIS A 55 8.794 -7.473 7.115 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.730 -6.953 9.574 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.581 -5.681 9.212 1.00 0.00 H new ATOM 0 HD2 HIS A 55 5.320 -6.869 10.271 1.00 0.00 H new ATOM 0 HE1 HIS A 55 5.452 -10.442 7.999 1.00 0.00 H new ATOM 0 HE2 HIS A 55 4.076 -9.017 9.672 1.00 0.00 H new ATOM 864 N TYR A 56 7.190 -4.607 6.866 1.00 0.00 N ATOM 865 CA TYR A 56 6.287 -3.848 6.017 1.00 0.00 C ATOM 866 C TYR A 56 6.797 -3.806 4.575 1.00 0.00 C ATOM 867 O TYR A 56 6.014 -3.914 3.632 1.00 0.00 O ATOM 868 CB TYR A 56 6.273 -2.426 6.581 1.00 0.00 C ATOM 869 CG TYR A 56 5.451 -2.274 7.863 1.00 0.00 C ATOM 870 CD1 TYR A 56 4.261 -2.958 8.005 1.00 0.00 C ATOM 871 CD2 TYR A 56 5.900 -1.453 8.877 1.00 0.00 C ATOM 872 CE1 TYR A 56 3.488 -2.815 9.212 1.00 0.00 C ATOM 873 CE2 TYR A 56 5.127 -1.310 10.084 1.00 0.00 C ATOM 874 CZ TYR A 56 3.959 -1.998 10.191 1.00 0.00 C ATOM 875 OH TYR A 56 3.229 -1.863 11.331 1.00 0.00 O ATOM 0 H TYR A 56 7.427 -4.154 7.748 1.00 0.00 H new ATOM 0 HA TYR A 56 5.297 -4.303 6.006 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.298 -2.115 6.780 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.876 -1.750 5.824 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.909 -3.600 7.211 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.831 -0.917 8.766 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.555 -3.345 9.336 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.467 -0.671 10.886 1.00 0.00 H new ATOM 0 HH TYR A 56 2.314 -1.595 11.104 1.00 0.00 H new ATOM 885 N LYS A 57 8.106 -3.649 4.448 1.00 0.00 N ATOM 886 CA LYS A 57 8.730 -3.591 3.136 1.00 0.00 C ATOM 887 C LYS A 57 8.526 -4.928 2.421 1.00 0.00 C ATOM 888 O LYS A 57 8.540 -4.986 1.192 1.00 0.00 O ATOM 889 CB LYS A 57 10.197 -3.175 3.258 1.00 0.00 C ATOM 890 CG LYS A 57 10.850 -3.057 1.880 1.00 0.00 C ATOM 891 CD LYS A 57 11.827 -1.881 1.835 1.00 0.00 C ATOM 892 CE LYS A 57 13.182 -2.271 2.428 1.00 0.00 C ATOM 893 NZ LYS A 57 14.257 -2.093 1.427 1.00 0.00 N ATOM 0 H LYS A 57 8.753 -3.560 5.232 1.00 0.00 H new ATOM 0 HA LYS A 57 8.257 -2.825 2.522 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.266 -2.220 3.780 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.737 -3.906 3.859 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.377 -3.981 1.643 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.081 -2.925 1.119 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.958 -1.552 0.804 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.413 -1.038 2.388 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.390 -1.660 3.306 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.155 -3.309 2.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 15.170 -2.362 1.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.065 -2.694 0.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.293 -1.097 1.130 1.00 0.00 H new ATOM 907 N LYS A 58 8.343 -5.969 3.220 1.00 0.00 N ATOM 908 CA LYS A 58 8.137 -7.301 2.678 1.00 0.00 C ATOM 909 C LYS A 58 6.656 -7.487 2.341 1.00 0.00 C ATOM 910 O LYS A 58 6.317 -7.952 1.254 1.00 0.00 O ATOM 911 CB LYS A 58 8.687 -8.360 3.636 1.00 0.00 C ATOM 912 CG LYS A 58 7.974 -9.699 3.441 1.00 0.00 C ATOM 913 CD LYS A 58 6.744 -9.802 4.345 1.00 0.00 C ATOM 914 CE LYS A 58 6.268 -11.252 4.461 1.00 0.00 C ATOM 915 NZ LYS A 58 7.290 -12.080 5.140 1.00 0.00 N ATOM 0 H LYS A 58 8.333 -5.917 4.239 1.00 0.00 H new ATOM 0 HA LYS A 58 8.694 -7.424 1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.757 -8.486 3.469 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.562 -8.024 4.665 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.674 -9.807 2.399 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.661 -10.516 3.661 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.983 -9.414 5.335 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.941 -9.183 3.945 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.332 -11.290 5.018 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.065 -11.655 3.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.830 -12.892 5.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.979 -12.423 4.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.780 -11.508 5.857 1.00 0.00 H new ATOM 929 N LEU A 59 5.814 -7.113 3.293 1.00 0.00 N ATOM 930 CA LEU A 59 4.378 -7.233 3.110 1.00 0.00 C ATOM 931 C LEU A 59 3.978 -6.567 1.792 1.00 0.00 C ATOM 932 O LEU A 59 3.319 -7.183 0.956 1.00 0.00 O ATOM 933 CB LEU A 59 3.635 -6.680 4.329 1.00 0.00 C ATOM 934 CG LEU A 59 3.728 -7.515 5.607 1.00 0.00 C ATOM 935 CD1 LEU A 59 3.493 -8.998 5.312 1.00 0.00 C ATOM 936 CD2 LEU A 59 5.060 -7.277 6.322 1.00 0.00 C ATOM 0 H LEU A 59 6.099 -6.727 4.193 1.00 0.00 H new ATOM 0 HA LEU A 59 4.090 -8.282 3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.019 -5.682 4.542 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.583 -6.568 4.068 1.00 0.00 H new ATOM 0 HG LEU A 59 2.937 -7.192 6.284 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.565 -9.569 6.238 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.501 -9.130 4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.246 -9.353 4.608 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.100 -7.883 7.227 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.882 -7.555 5.662 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.148 -6.223 6.586 1.00 0.00 H new ATOM 948 N ALA A 60 4.394 -5.318 1.647 1.00 0.00 N ATOM 949 CA ALA A 60 4.088 -4.561 0.445 1.00 0.00 C ATOM 950 C ALA A 60 4.284 -5.458 -0.780 1.00 0.00 C ATOM 951 O ALA A 60 3.481 -5.426 -1.711 1.00 0.00 O ATOM 952 CB ALA A 60 4.962 -3.307 0.395 1.00 0.00 C ATOM 0 H ALA A 60 4.941 -4.811 2.343 1.00 0.00 H new ATOM 0 HA ALA A 60 3.048 -4.233 0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.732 -2.739 -0.507 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.765 -2.691 1.272 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.013 -3.596 0.384 1.00 0.00 H new ATOM 958 N GLU A 61 5.355 -6.236 -0.738 1.00 0.00 N ATOM 959 CA GLU A 61 5.666 -7.140 -1.833 1.00 0.00 C ATOM 960 C GLU A 61 4.581 -8.211 -1.962 1.00 0.00 C ATOM 961 O GLU A 61 4.157 -8.540 -3.069 1.00 0.00 O ATOM 962 CB GLU A 61 7.045 -7.776 -1.644 1.00 0.00 C ATOM 963 CG GLU A 61 8.034 -6.774 -1.046 1.00 0.00 C ATOM 964 CD GLU A 61 9.476 -7.164 -1.374 1.00 0.00 C ATOM 965 OE1 GLU A 61 9.677 -7.719 -2.476 1.00 0.00 O ATOM 966 OE2 GLU A 61 10.346 -6.898 -0.517 1.00 0.00 O ATOM 0 H GLU A 61 6.018 -6.260 0.036 1.00 0.00 H new ATOM 0 HA GLU A 61 5.692 -6.564 -2.758 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.962 -8.645 -0.991 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.419 -8.133 -2.603 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.826 -5.777 -1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.903 -6.729 0.035 1.00 0.00 H new ATOM 973 N GLU A 62 4.162 -8.725 -0.815 1.00 0.00 N ATOM 974 CA GLU A 62 3.135 -9.751 -0.786 1.00 0.00 C ATOM 975 C GLU A 62 1.803 -9.184 -1.282 1.00 0.00 C ATOM 976 O GLU A 62 1.094 -9.835 -2.047 1.00 0.00 O ATOM 977 CB GLU A 62 2.990 -10.343 0.618 1.00 0.00 C ATOM 978 CG GLU A 62 1.744 -11.225 0.715 1.00 0.00 C ATOM 979 CD GLU A 62 2.109 -12.643 1.160 1.00 0.00 C ATOM 980 OE1 GLU A 62 3.072 -12.760 1.948 1.00 0.00 O ATOM 981 OE2 GLU A 62 1.418 -13.577 0.701 1.00 0.00 O ATOM 0 H GLU A 62 4.516 -8.450 0.101 1.00 0.00 H new ATOM 0 HA GLU A 62 3.436 -10.557 -1.455 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.875 -10.930 0.862 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.929 -9.539 1.351 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.039 -10.788 1.422 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.243 -11.261 -0.253 1.00 0.00 H new ATOM 988 N GLN A 63 1.504 -7.977 -0.826 1.00 0.00 N ATOM 989 CA GLN A 63 0.271 -7.314 -1.214 1.00 0.00 C ATOM 990 C GLN A 63 0.182 -7.207 -2.737 1.00 0.00 C ATOM 991 O GLN A 63 -0.854 -7.515 -3.326 1.00 0.00 O ATOM 992 CB GLN A 63 0.159 -5.935 -0.560 1.00 0.00 C ATOM 993 CG GLN A 63 -0.854 -5.952 0.587 1.00 0.00 C ATOM 994 CD GLN A 63 -2.285 -5.846 0.055 1.00 0.00 C ATOM 995 OE1 GLN A 63 -2.949 -6.833 -0.214 1.00 0.00 O ATOM 996 NE2 GLN A 63 -2.720 -4.597 -0.080 1.00 0.00 N ATOM 0 H GLN A 63 2.095 -7.440 -0.191 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.567 -7.915 -0.862 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.134 -5.627 -0.184 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.142 -5.199 -1.305 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.743 -6.871 1.162 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.653 -5.125 1.267 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.111 -3.816 0.164 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.663 -4.420 -0.427 1.00 0.00 H new ATOM 1005 N GLN A 64 1.282 -6.770 -3.333 1.00 0.00 N ATOM 1006 CA GLN A 64 1.341 -6.618 -4.777 1.00 0.00 C ATOM 1007 C GLN A 64 1.364 -7.990 -5.454 1.00 0.00 C ATOM 1008 O GLN A 64 0.994 -8.117 -6.620 1.00 0.00 O ATOM 1009 CB GLN A 64 2.553 -5.782 -5.191 1.00 0.00 C ATOM 1010 CG GLN A 64 2.511 -4.397 -4.543 1.00 0.00 C ATOM 1011 CD GLN A 64 3.859 -3.686 -4.680 1.00 0.00 C ATOM 1012 OE1 GLN A 64 4.195 -3.131 -5.713 1.00 0.00 O ATOM 1013 NE2 GLN A 64 4.610 -3.734 -3.583 1.00 0.00 N ATOM 0 H GLN A 64 2.139 -6.516 -2.842 1.00 0.00 H new ATOM 0 HA GLN A 64 0.447 -6.088 -5.104 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.470 -6.295 -4.901 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.575 -5.679 -6.276 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.730 -3.797 -5.010 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.252 -4.493 -3.489 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.268 -4.216 -2.751 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.528 -3.289 -3.573 1.00 0.00 H new ATOM 1022 N ARG A 65 1.803 -8.983 -4.693 1.00 0.00 N ATOM 1023 CA ARG A 65 1.879 -10.340 -5.205 1.00 0.00 C ATOM 1024 C ARG A 65 0.477 -10.941 -5.329 1.00 0.00 C ATOM 1025 O ARG A 65 0.181 -11.643 -6.294 1.00 0.00 O ATOM 1026 CB ARG A 65 2.727 -11.227 -4.292 1.00 0.00 C ATOM 1027 CG ARG A 65 2.221 -12.670 -4.304 1.00 0.00 C ATOM 1028 CD ARG A 65 3.183 -13.596 -3.556 1.00 0.00 C ATOM 1029 NE ARG A 65 2.920 -15.004 -3.925 1.00 0.00 N ATOM 1030 CZ ARG A 65 3.636 -16.045 -3.478 1.00 0.00 C ATOM 1031 NH1 ARG A 65 4.664 -15.841 -2.642 1.00 0.00 N ATOM 1032 NH2 ARG A 65 3.325 -17.289 -3.866 1.00 0.00 N ATOM 0 H ARG A 65 2.109 -8.874 -3.726 1.00 0.00 H new ATOM 0 HA ARG A 65 2.348 -10.297 -6.188 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.767 -11.200 -4.617 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.701 -10.837 -3.274 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.234 -12.717 -3.844 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.109 -13.011 -5.333 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.213 -13.335 -3.797 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.064 -13.465 -2.480 1.00 0.00 H new ATOM 0 HE ARG A 65 2.145 -15.195 -4.560 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.901 -14.894 -2.346 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.209 -16.633 -2.301 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.543 -17.444 -4.502 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.870 -18.081 -3.525 1.00 0.00 H new ATOM 1046 N GLN A 66 -0.349 -10.642 -4.337 1.00 0.00 N ATOM 1047 CA GLN A 66 -1.713 -11.143 -4.322 1.00 0.00 C ATOM 1048 C GLN A 66 -2.568 -10.385 -5.339 1.00 0.00 C ATOM 1049 O GLN A 66 -3.327 -10.992 -6.094 1.00 0.00 O ATOM 1050 CB GLN A 66 -2.316 -11.050 -2.919 1.00 0.00 C ATOM 1051 CG GLN A 66 -1.686 -12.081 -1.981 1.00 0.00 C ATOM 1052 CD GLN A 66 -2.144 -11.861 -0.538 1.00 0.00 C ATOM 1053 OE1 GLN A 66 -2.954 -12.596 0.003 1.00 0.00 O ATOM 1054 NE2 GLN A 66 -1.581 -10.812 0.054 1.00 0.00 N ATOM 0 H GLN A 66 -0.100 -10.059 -3.538 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.696 -12.196 -4.605 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.162 -10.048 -2.519 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.393 -11.211 -2.971 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.958 -13.086 -2.304 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.600 -12.012 -2.036 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.910 -10.238 -0.456 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.820 -10.582 1.018 1.00 0.00 H new ATOM 1063 N TYR A 67 -2.418 -9.068 -5.326 1.00 0.00 N ATOM 1064 CA TYR A 67 -3.168 -8.221 -6.237 1.00 0.00 C ATOM 1065 C TYR A 67 -2.987 -8.678 -7.686 1.00 0.00 C ATOM 1066 O TYR A 67 -3.805 -8.361 -8.548 1.00 0.00 O ATOM 1067 CB TYR A 67 -2.583 -6.815 -6.082 1.00 0.00 C ATOM 1068 CG TYR A 67 -2.964 -5.855 -7.211 1.00 0.00 C ATOM 1069 CD1 TYR A 67 -2.446 -6.038 -8.477 1.00 0.00 C ATOM 1070 CD2 TYR A 67 -3.826 -4.806 -6.964 1.00 0.00 C ATOM 1071 CE1 TYR A 67 -2.804 -5.135 -9.540 1.00 0.00 C ATOM 1072 CE2 TYR A 67 -4.185 -3.903 -8.026 1.00 0.00 C ATOM 1073 CZ TYR A 67 -3.656 -4.112 -9.262 1.00 0.00 C ATOM 1074 OH TYR A 67 -3.994 -3.258 -10.265 1.00 0.00 O ATOM 0 H TYR A 67 -1.788 -8.568 -4.699 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.233 -8.259 -6.008 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.918 -6.396 -5.133 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.497 -6.888 -6.032 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.772 -6.859 -8.671 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.231 -4.662 -5.973 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.405 -5.267 -10.535 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.859 -3.078 -7.846 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.610 -2.578 -9.922 1.00 0.00 H new ATOM 1084 N LYS A 68 -1.910 -9.418 -7.909 1.00 0.00 N ATOM 1085 CA LYS A 68 -1.612 -9.923 -9.238 1.00 0.00 C ATOM 1086 C LYS A 68 -2.635 -10.997 -9.613 1.00 0.00 C ATOM 1087 O LYS A 68 -3.317 -10.881 -10.630 1.00 0.00 O ATOM 1088 CB LYS A 68 -0.161 -10.401 -9.316 1.00 0.00 C ATOM 1089 CG LYS A 68 0.812 -9.226 -9.202 1.00 0.00 C ATOM 1090 CD LYS A 68 1.401 -8.866 -10.568 1.00 0.00 C ATOM 1091 CE LYS A 68 0.887 -7.507 -11.046 1.00 0.00 C ATOM 1092 NZ LYS A 68 1.999 -6.533 -11.129 1.00 0.00 N ATOM 0 H LYS A 68 -1.234 -9.680 -7.192 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.701 -9.127 -9.977 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.033 -11.117 -8.517 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.003 -10.923 -10.259 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.296 -8.361 -8.785 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.616 -9.481 -8.511 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.489 -8.846 -10.505 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.138 -9.634 -11.295 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.415 -7.613 -12.023 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.123 -7.139 -10.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.633 -5.616 -11.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.432 -6.419 -10.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.714 -6.879 -11.800 1.00 0.00 H new ATOM 1106 N VAL A 69 -2.709 -12.017 -8.771 1.00 0.00 N ATOM 1107 CA VAL A 69 -3.637 -13.111 -9.002 1.00 0.00 C ATOM 1108 C VAL A 69 -5.071 -12.586 -8.907 1.00 0.00 C ATOM 1109 O VAL A 69 -5.929 -12.969 -9.700 1.00 0.00 O ATOM 1110 CB VAL A 69 -3.353 -14.253 -8.024 1.00 0.00 C ATOM 1111 CG1 VAL A 69 -1.849 -14.412 -7.788 1.00 0.00 C ATOM 1112 CG2 VAL A 69 -4.096 -14.042 -6.703 1.00 0.00 C ATOM 0 H VAL A 69 -2.142 -12.109 -7.928 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.505 -13.518 -10.004 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.721 -15.176 -8.471 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.675 -15.230 -7.089 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.353 -14.631 -8.734 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.446 -13.488 -7.373 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.877 -14.868 -6.026 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.773 -13.105 -6.249 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.169 -14.002 -6.891 1.00 0.00 H new ATOM 1122 N HIS A 70 -5.286 -11.717 -7.930 1.00 0.00 N ATOM 1123 CA HIS A 70 -6.601 -11.136 -7.721 1.00 0.00 C ATOM 1124 C HIS A 70 -7.154 -10.626 -9.054 1.00 0.00 C ATOM 1125 O HIS A 70 -8.329 -10.823 -9.358 1.00 0.00 O ATOM 1126 CB HIS A 70 -6.550 -10.049 -6.646 1.00 0.00 C ATOM 1127 CG HIS A 70 -6.306 -10.575 -5.252 1.00 0.00 C ATOM 1128 ND1 HIS A 70 -5.828 -11.779 -4.824 1.00 0.00 N flip ATOM 1129 CD2 HIS A 70 -6.563 -9.830 -4.114 1.00 0.00 C flip ATOM 1130 CE1 HIS A 70 -5.793 -11.769 -3.498 1.00 0.00 C flip ATOM 1131 NE2 HIS A 70 -6.249 -10.562 -3.055 1.00 0.00 N flip ATOM 0 H HIS A 70 -4.571 -11.401 -7.274 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.285 -11.899 -7.351 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.762 -9.339 -6.899 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.490 -9.498 -6.656 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.953 -8.823 -4.093 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -5.458 -12.583 -2.872 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -6.333 -10.274 -2.080 1.00 0.00 H new ATOM 1139 N LEU A 71 -6.280 -9.982 -9.813 1.00 0.00 N ATOM 1140 CA LEU A 71 -6.666 -9.442 -11.106 1.00 0.00 C ATOM 1141 C LEU A 71 -7.183 -10.577 -11.993 1.00 0.00 C ATOM 1142 O LEU A 71 -8.159 -10.404 -12.722 1.00 0.00 O ATOM 1143 CB LEU A 71 -5.509 -8.656 -11.725 1.00 0.00 C ATOM 1144 CG LEU A 71 -5.894 -7.388 -12.491 1.00 0.00 C ATOM 1145 CD1 LEU A 71 -6.826 -6.506 -11.658 1.00 0.00 C ATOM 1146 CD2 LEU A 71 -4.650 -6.629 -12.955 1.00 0.00 C ATOM 0 H LEU A 71 -5.306 -9.822 -9.558 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.482 -8.728 -10.993 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.817 -8.380 -10.930 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.969 -9.317 -12.403 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.443 -7.683 -13.385 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.084 -5.612 -12.225 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.734 -7.060 -11.420 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.324 -6.217 -10.734 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.952 -5.732 -13.497 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.052 -6.346 -12.089 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.058 -7.267 -13.611 1.00 0.00 H new ATOM 1158 N ASP A 72 -6.506 -11.712 -11.901 1.00 0.00 N ATOM 1159 CA ASP A 72 -6.885 -12.875 -12.686 1.00 0.00 C ATOM 1160 C ASP A 72 -8.188 -13.455 -12.133 1.00 0.00 C ATOM 1161 O ASP A 72 -9.051 -13.889 -12.895 1.00 0.00 O ATOM 1162 CB ASP A 72 -5.813 -13.963 -12.611 1.00 0.00 C ATOM 1163 CG ASP A 72 -5.017 -14.178 -13.901 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -5.574 -14.833 -14.808 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -3.871 -13.682 -13.949 1.00 0.00 O ATOM 0 H ASP A 72 -5.697 -11.851 -11.295 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.005 -12.558 -13.722 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.117 -13.712 -11.810 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.290 -14.903 -12.335 1.00 0.00 H new ATOM 1170 N LEU A 73 -8.290 -13.445 -10.812 1.00 0.00 N ATOM 1171 CA LEU A 73 -9.473 -13.966 -10.149 1.00 0.00 C ATOM 1172 C LEU A 73 -10.697 -13.162 -10.593 1.00 0.00 C ATOM 1173 O LEU A 73 -11.787 -13.712 -10.734 1.00 0.00 O ATOM 1174 CB LEU A 73 -9.270 -13.989 -8.632 1.00 0.00 C ATOM 1175 CG LEU A 73 -7.991 -14.668 -8.137 1.00 0.00 C ATOM 1176 CD1 LEU A 73 -8.128 -15.094 -6.674 1.00 0.00 C ATOM 1177 CD2 LEU A 73 -7.607 -15.840 -9.042 1.00 0.00 C ATOM 0 H LEU A 73 -7.573 -13.084 -10.183 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.648 -15.002 -10.440 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.276 -12.961 -8.269 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.124 -14.492 -8.179 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.178 -13.944 -8.187 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.206 -15.574 -6.347 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.320 -14.217 -6.056 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.957 -15.795 -6.575 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.695 -16.305 -8.668 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.412 -16.574 -9.048 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.440 -15.477 -10.056 1.00 0.00 H new ATOM 1189 N TRP A 74 -10.474 -11.872 -10.802 1.00 0.00 N ATOM 1190 CA TRP A 74 -11.545 -10.988 -11.227 1.00 0.00 C ATOM 1191 C TRP A 74 -11.882 -11.318 -12.683 1.00 0.00 C ATOM 1192 O TRP A 74 -13.015 -11.125 -13.121 1.00 0.00 O ATOM 1193 CB TRP A 74 -11.160 -9.521 -11.021 1.00 0.00 C ATOM 1194 CG TRP A 74 -11.965 -8.540 -11.874 1.00 0.00 C ATOM 1195 CD1 TRP A 74 -13.141 -7.965 -11.583 1.00 0.00 C ATOM 1196 CD2 TRP A 74 -11.605 -8.038 -13.178 1.00 0.00 C ATOM 1197 NE1 TRP A 74 -13.563 -7.134 -12.600 1.00 0.00 N ATOM 1198 CE2 TRP A 74 -12.599 -7.179 -13.601 1.00 0.00 C ATOM 1199 CE3 TRP A 74 -10.477 -8.301 -13.975 1.00 0.00 C ATOM 1200 CZ2 TRP A 74 -12.565 -6.513 -14.832 1.00 0.00 C ATOM 1201 CZ3 TRP A 74 -10.457 -7.628 -15.202 1.00 0.00 C ATOM 1202 CH2 TRP A 74 -11.450 -6.760 -15.642 1.00 0.00 C ATOM 0 H TRP A 74 -9.568 -11.419 -10.685 1.00 0.00 H new ATOM 0 HA TRP A 74 -12.436 -11.144 -10.619 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -11.293 -9.266 -9.970 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -10.101 -9.399 -11.248 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -13.689 -8.132 -10.667 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -14.424 -6.587 -12.615 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -9.688 -8.970 -13.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -13.356 -5.845 -15.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -9.611 -7.795 -15.852 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -11.362 -6.278 -16.605 1.00 0.00 H new ATOM 1213 N VAL A 75 -10.877 -11.811 -13.391 1.00 0.00 N ATOM 1214 CA VAL A 75 -11.052 -12.170 -14.788 1.00 0.00 C ATOM 1215 C VAL A 75 -11.844 -13.475 -14.879 1.00 0.00 C ATOM 1216 O VAL A 75 -12.740 -13.605 -15.713 1.00 0.00 O ATOM 1217 CB VAL A 75 -9.691 -12.247 -15.483 1.00 0.00 C ATOM 1218 CG1 VAL A 75 -9.801 -12.972 -16.826 1.00 0.00 C ATOM 1219 CG2 VAL A 75 -9.085 -10.854 -15.660 1.00 0.00 C ATOM 0 H VAL A 75 -9.939 -11.970 -13.024 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.626 -11.404 -15.310 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.022 -12.824 -14.845 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.820 -13.013 -17.299 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -10.168 -13.985 -16.663 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.494 -12.435 -17.474 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.118 -10.938 -16.156 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.752 -10.241 -16.266 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.952 -10.388 -14.684 1.00 0.00 H new ATOM 1229 N LYS A 76 -11.486 -14.410 -14.011 1.00 0.00 N ATOM 1230 CA LYS A 76 -12.153 -15.700 -13.983 1.00 0.00 C ATOM 1231 C LYS A 76 -13.655 -15.489 -13.779 1.00 0.00 C ATOM 1232 O LYS A 76 -14.455 -16.380 -14.064 1.00 0.00 O ATOM 1233 CB LYS A 76 -11.512 -16.612 -12.934 1.00 0.00 C ATOM 1234 CG LYS A 76 -10.124 -17.071 -13.382 1.00 0.00 C ATOM 1235 CD LYS A 76 -9.441 -17.899 -12.291 1.00 0.00 C ATOM 1236 CE LYS A 76 -10.264 -19.144 -11.952 1.00 0.00 C ATOM 1237 NZ LYS A 76 -9.416 -20.356 -12.006 1.00 0.00 N ATOM 0 H LYS A 76 -10.742 -14.299 -13.322 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.030 -16.213 -14.937 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.435 -16.082 -11.985 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.149 -17.480 -12.764 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.209 -17.663 -14.293 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.510 -16.203 -13.623 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.446 -18.196 -12.624 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.310 -17.291 -11.396 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.698 -19.041 -10.958 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.093 -19.241 -12.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.990 -21.192 -11.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.022 -20.462 -12.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.640 -20.267 -11.320 1.00 0.00 H new ATOM 1251 N SER A 77 -13.992 -14.306 -13.288 1.00 0.00 N ATOM 1252 CA SER A 77 -15.384 -13.967 -13.043 1.00 0.00 C ATOM 1253 C SER A 77 -15.951 -13.190 -14.233 1.00 0.00 C ATOM 1254 O SER A 77 -17.161 -13.177 -14.450 1.00 0.00 O ATOM 1255 CB SER A 77 -15.534 -13.152 -11.757 1.00 0.00 C ATOM 1256 OG SER A 77 -15.510 -13.977 -10.596 1.00 0.00 O ATOM 0 H SER A 77 -13.326 -13.570 -13.053 1.00 0.00 H new ATOM 0 HA SER A 77 -15.945 -14.893 -12.922 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.730 -12.418 -11.697 1.00 0.00 H new ATOM 0 HB3 SER A 77 -16.471 -12.596 -11.787 1.00 0.00 H new ATOM 0 HG SER A 77 -15.607 -13.419 -9.796 1.00 0.00 H new ATOM 1262 N LEU A 78 -15.048 -12.562 -14.972 1.00 0.00 N ATOM 1263 CA LEU A 78 -15.443 -11.785 -16.135 1.00 0.00 C ATOM 1264 C LEU A 78 -16.208 -12.684 -17.108 1.00 0.00 C ATOM 1265 O LEU A 78 -15.710 -13.735 -17.509 1.00 0.00 O ATOM 1266 CB LEU A 78 -14.227 -11.098 -16.758 1.00 0.00 C ATOM 1267 CG LEU A 78 -13.737 -9.831 -16.053 1.00 0.00 C ATOM 1268 CD1 LEU A 78 -12.660 -9.125 -16.879 1.00 0.00 C ATOM 1269 CD2 LEU A 78 -14.906 -8.902 -15.721 1.00 0.00 C ATOM 0 H LEU A 78 -14.045 -12.575 -14.788 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.120 -10.981 -15.845 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.406 -11.814 -16.788 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.467 -10.845 -17.791 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.278 -10.122 -15.108 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -12.329 -8.228 -16.355 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.812 -9.796 -17.021 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.070 -8.848 -17.850 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.531 -8.009 -15.221 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.415 -8.615 -16.641 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -15.606 -9.419 -15.064 1.00 0.00 H new ATOM 1281 N SER A 79 -17.405 -12.238 -17.461 1.00 0.00 N ATOM 1282 CA SER A 79 -18.243 -12.990 -18.380 1.00 0.00 C ATOM 1283 C SER A 79 -17.477 -13.272 -19.674 1.00 0.00 C ATOM 1284 O SER A 79 -16.329 -12.857 -19.824 1.00 0.00 O ATOM 1285 CB SER A 79 -19.540 -12.237 -18.683 1.00 0.00 C ATOM 1286 OG SER A 79 -20.693 -13.020 -18.388 1.00 0.00 O ATOM 0 H SER A 79 -17.814 -11.365 -17.127 1.00 0.00 H new ATOM 0 HA SER A 79 -18.506 -13.937 -17.908 1.00 0.00 H new ATOM 0 HB2 SER A 79 -19.569 -11.316 -18.101 1.00 0.00 H new ATOM 0 HB3 SER A 79 -19.556 -11.950 -19.735 1.00 0.00 H new ATOM 0 HG SER A 79 -21.500 -12.504 -18.593 1.00 0.00 H new ATOM 1292 N PRO A 80 -18.162 -13.994 -20.601 1.00 0.00 N ATOM 1293 CA PRO A 80 -17.559 -14.336 -21.878 1.00 0.00 C ATOM 1294 C PRO A 80 -17.515 -13.121 -22.807 1.00 0.00 C ATOM 1295 O PRO A 80 -16.807 -13.130 -23.813 1.00 0.00 O ATOM 1296 CB PRO A 80 -18.411 -15.470 -22.424 1.00 0.00 C ATOM 1297 CG PRO A 80 -19.724 -15.410 -21.661 1.00 0.00 C ATOM 1298 CD PRO A 80 -19.523 -14.502 -20.459 1.00 0.00 C ATOM 0 HA PRO A 80 -16.519 -14.647 -21.782 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.576 -15.354 -23.495 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -17.919 -16.432 -22.280 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -20.520 -15.027 -22.300 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -20.025 -16.407 -21.340 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -20.250 -13.690 -20.451 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -19.646 -15.049 -19.524 1.00 0.00 H new ATOM 1306 N GLN A 81 -18.280 -12.105 -22.436 1.00 0.00 N ATOM 1307 CA GLN A 81 -18.337 -10.885 -23.224 1.00 0.00 C ATOM 1308 C GLN A 81 -17.338 -9.859 -22.686 1.00 0.00 C ATOM 1309 O GLN A 81 -16.709 -9.136 -23.457 1.00 0.00 O ATOM 1310 CB GLN A 81 -19.755 -10.311 -23.243 1.00 0.00 C ATOM 1311 CG GLN A 81 -20.747 -11.319 -23.827 1.00 0.00 C ATOM 1312 CD GLN A 81 -22.184 -10.958 -23.445 1.00 0.00 C ATOM 1313 OE1 GLN A 81 -22.507 -10.720 -22.293 1.00 0.00 O ATOM 1314 NE2 GLN A 81 -23.027 -10.932 -24.474 1.00 0.00 N ATOM 0 H GLN A 81 -18.865 -12.101 -21.601 1.00 0.00 H new ATOM 0 HA GLN A 81 -18.064 -11.126 -24.251 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -20.057 -10.044 -22.230 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -19.772 -9.395 -23.833 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -20.650 -11.343 -24.912 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -20.511 -12.319 -23.464 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -22.691 -11.141 -25.414 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -24.009 -10.703 -24.323 1.00 0.00 H new ATOM 1323 N ASP A 82 -17.222 -9.828 -21.366 1.00 0.00 N ATOM 1324 CA ASP A 82 -16.309 -8.903 -20.717 1.00 0.00 C ATOM 1325 C ASP A 82 -14.869 -9.360 -20.957 1.00 0.00 C ATOM 1326 O ASP A 82 -14.046 -8.593 -21.454 1.00 0.00 O ATOM 1327 CB ASP A 82 -16.547 -8.865 -19.206 1.00 0.00 C ATOM 1328 CG ASP A 82 -17.793 -8.093 -18.766 1.00 0.00 C ATOM 1329 OD1 ASP A 82 -18.729 -8.011 -19.591 1.00 0.00 O ATOM 1330 OD2 ASP A 82 -17.782 -7.604 -17.616 1.00 0.00 O ATOM 0 H ASP A 82 -17.745 -10.429 -20.729 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.480 -7.911 -21.135 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.624 -9.889 -18.840 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.675 -8.420 -18.727 1.00 0.00 H new ATOM 1335 N ARG A 83 -14.610 -10.607 -20.594 1.00 0.00 N ATOM 1336 CA ARG A 83 -13.283 -11.176 -20.764 1.00 0.00 C ATOM 1337 C ARG A 83 -12.826 -11.031 -22.217 1.00 0.00 C ATOM 1338 O ARG A 83 -11.656 -10.759 -22.479 1.00 0.00 O ATOM 1339 CB ARG A 83 -13.264 -12.655 -20.375 1.00 0.00 C ATOM 1340 CG ARG A 83 -11.903 -13.053 -19.800 1.00 0.00 C ATOM 1341 CD ARG A 83 -12.033 -14.261 -18.869 1.00 0.00 C ATOM 1342 NE ARG A 83 -10.894 -15.183 -19.075 1.00 0.00 N ATOM 1343 CZ ARG A 83 -10.671 -15.861 -20.209 1.00 0.00 C ATOM 1344 NH1 ARG A 83 -11.508 -15.724 -21.247 1.00 0.00 N ATOM 1345 NH2 ARG A 83 -9.612 -16.676 -20.306 1.00 0.00 N ATOM 0 H ARG A 83 -15.296 -11.240 -20.183 1.00 0.00 H new ATOM 0 HA ARG A 83 -12.602 -10.632 -20.110 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.045 -12.852 -19.640 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.487 -13.267 -21.249 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.216 -13.288 -20.613 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.475 -12.213 -19.253 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.060 -13.929 -17.831 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.972 -14.780 -19.062 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.237 -15.310 -18.305 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.314 -15.104 -21.173 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.338 -16.240 -22.110 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.975 -16.781 -19.516 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.443 -17.192 -21.170 1.00 0.00 H new ATOM 1359 N ALA A 84 -13.774 -11.221 -23.123 1.00 0.00 N ATOM 1360 CA ALA A 84 -13.484 -11.115 -24.543 1.00 0.00 C ATOM 1361 C ALA A 84 -12.874 -9.742 -24.834 1.00 0.00 C ATOM 1362 O ALA A 84 -12.086 -9.594 -25.767 1.00 0.00 O ATOM 1363 CB ALA A 84 -14.761 -11.367 -25.346 1.00 0.00 C ATOM 0 H ALA A 84 -14.743 -11.448 -22.901 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.757 -11.869 -24.843 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -14.543 -11.287 -26.411 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -15.138 -12.366 -25.126 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -15.514 -10.627 -25.074 1.00 0.00 H new ATOM 1369 N ALA A 85 -13.261 -8.773 -24.018 1.00 0.00 N ATOM 1370 CA ALA A 85 -12.762 -7.418 -24.175 1.00 0.00 C ATOM 1371 C ALA A 85 -11.421 -7.285 -23.452 1.00 0.00 C ATOM 1372 O ALA A 85 -10.402 -6.990 -24.074 1.00 0.00 O ATOM 1373 CB ALA A 85 -13.806 -6.426 -23.656 1.00 0.00 C ATOM 0 H ALA A 85 -13.915 -8.900 -23.245 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.592 -7.192 -25.228 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -13.432 -5.409 -23.774 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -14.730 -6.540 -24.223 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.001 -6.621 -22.601 1.00 0.00 H new ATOM 1379 N TYR A 86 -11.464 -7.510 -22.147 1.00 0.00 N ATOM 1380 CA TYR A 86 -10.265 -7.419 -21.331 1.00 0.00 C ATOM 1381 C TYR A 86 -9.052 -7.982 -22.075 1.00 0.00 C ATOM 1382 O TYR A 86 -7.985 -7.370 -22.083 1.00 0.00 O ATOM 1383 CB TYR A 86 -10.531 -8.276 -20.092 1.00 0.00 C ATOM 1384 CG TYR A 86 -9.276 -8.607 -19.283 1.00 0.00 C ATOM 1385 CD1 TYR A 86 -8.417 -9.597 -19.715 1.00 0.00 C ATOM 1386 CD2 TYR A 86 -9.001 -7.915 -18.121 1.00 0.00 C ATOM 1387 CE1 TYR A 86 -7.236 -9.909 -18.954 1.00 0.00 C ATOM 1388 CE2 TYR A 86 -7.820 -8.226 -17.359 1.00 0.00 C ATOM 1389 CZ TYR A 86 -6.995 -9.208 -17.813 1.00 0.00 C ATOM 1390 OH TYR A 86 -5.879 -9.503 -17.094 1.00 0.00 O ATOM 0 H TYR A 86 -12.311 -7.755 -21.634 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.049 -6.380 -21.082 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.239 -7.755 -19.448 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -11.007 -9.206 -20.402 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.631 -10.138 -20.625 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.672 -7.139 -17.783 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -6.556 -10.682 -19.281 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.594 -7.692 -16.448 1.00 0.00 H new ATOM 0 HH TYR A 86 -5.835 -8.923 -16.305 1.00 0.00 H new ATOM 1400 N LYS A 87 -9.257 -9.142 -22.683 1.00 0.00 N ATOM 1401 CA LYS A 87 -8.194 -9.794 -23.428 1.00 0.00 C ATOM 1402 C LYS A 87 -7.737 -8.878 -24.564 1.00 0.00 C ATOM 1403 O LYS A 87 -6.540 -8.669 -24.755 1.00 0.00 O ATOM 1404 CB LYS A 87 -8.641 -11.180 -23.897 1.00 0.00 C ATOM 1405 CG LYS A 87 -8.029 -12.278 -23.025 1.00 0.00 C ATOM 1406 CD LYS A 87 -6.665 -12.711 -23.565 1.00 0.00 C ATOM 1407 CE LYS A 87 -6.803 -13.906 -24.510 1.00 0.00 C ATOM 1408 NZ LYS A 87 -6.040 -15.065 -23.995 1.00 0.00 N ATOM 0 H LYS A 87 -10.143 -9.646 -22.675 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.328 -9.963 -22.788 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.728 -11.247 -23.862 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.346 -11.329 -24.936 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.921 -11.917 -22.002 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.700 -13.136 -22.991 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.198 -11.879 -24.091 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.008 -12.973 -22.736 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.854 -14.173 -24.616 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.441 -13.636 -25.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.144 -15.867 -24.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.034 -14.811 -23.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.404 -15.332 -23.058 1.00 0.00 H new ATOM 1422 N GLU A 88 -8.715 -8.355 -25.290 1.00 0.00 N ATOM 1423 CA GLU A 88 -8.428 -7.466 -26.402 1.00 0.00 C ATOM 1424 C GLU A 88 -7.278 -6.522 -26.045 1.00 0.00 C ATOM 1425 O GLU A 88 -6.417 -6.242 -26.878 1.00 0.00 O ATOM 1426 CB GLU A 88 -9.675 -6.680 -26.812 1.00 0.00 C ATOM 1427 CG GLU A 88 -9.660 -5.274 -26.208 1.00 0.00 C ATOM 1428 CD GLU A 88 -10.998 -4.567 -26.432 1.00 0.00 C ATOM 1429 OE1 GLU A 88 -12.030 -5.270 -26.366 1.00 0.00 O ATOM 1430 OE2 GLU A 88 -10.960 -3.339 -26.663 1.00 0.00 O ATOM 0 H GLU A 88 -9.707 -8.530 -25.129 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.123 -8.071 -27.256 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.726 -6.612 -27.899 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.568 -7.211 -26.484 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.451 -5.335 -25.140 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.856 -4.690 -26.657 1.00 0.00 H new ATOM 1437 N TYR A 89 -7.300 -6.057 -24.805 1.00 0.00 N ATOM 1438 CA TYR A 89 -6.270 -5.150 -24.327 1.00 0.00 C ATOM 1439 C TYR A 89 -4.979 -5.906 -24.008 1.00 0.00 C ATOM 1440 O TYR A 89 -3.885 -5.418 -24.287 1.00 0.00 O ATOM 1441 CB TYR A 89 -6.817 -4.533 -23.038 1.00 0.00 C ATOM 1442 CG TYR A 89 -5.736 -3.986 -22.103 1.00 0.00 C ATOM 1443 CD1 TYR A 89 -5.110 -2.791 -22.397 1.00 0.00 C ATOM 1444 CD2 TYR A 89 -5.387 -4.686 -20.967 1.00 0.00 C ATOM 1445 CE1 TYR A 89 -4.093 -2.276 -21.517 1.00 0.00 C ATOM 1446 CE2 TYR A 89 -4.370 -4.171 -20.087 1.00 0.00 C ATOM 1447 CZ TYR A 89 -3.773 -2.991 -20.406 1.00 0.00 C ATOM 1448 OH TYR A 89 -2.813 -2.505 -19.575 1.00 0.00 O ATOM 0 H TYR A 89 -8.015 -6.291 -24.116 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.037 -4.401 -25.084 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.502 -3.726 -23.296 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.397 -5.286 -22.505 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.383 -2.243 -23.287 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.877 -5.621 -20.737 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.596 -1.342 -21.735 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.088 -4.709 -19.194 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.690 -3.120 -18.822 1.00 0.00 H new ATOM 1458 N ILE A 90 -5.149 -7.086 -23.430 1.00 0.00 N ATOM 1459 CA ILE A 90 -4.011 -7.915 -23.071 1.00 0.00 C ATOM 1460 C ILE A 90 -3.090 -8.063 -24.284 1.00 0.00 C ATOM 1461 O ILE A 90 -1.961 -7.574 -24.275 1.00 0.00 O ATOM 1462 CB ILE A 90 -4.481 -9.249 -22.489 1.00 0.00 C ATOM 1463 CG1 ILE A 90 -5.343 -9.031 -21.244 1.00 0.00 C ATOM 1464 CG2 ILE A 90 -3.296 -10.175 -22.211 1.00 0.00 C ATOM 1465 CD1 ILE A 90 -4.481 -8.635 -20.043 1.00 0.00 C ATOM 0 H ILE A 90 -6.058 -7.488 -23.201 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.427 -7.439 -22.283 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.107 -9.743 -23.232 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.080 -8.252 -21.440 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.895 -9.943 -21.015 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.659 -11.116 -21.798 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.760 -10.369 -23.140 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.623 -9.701 -21.497 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.118 -8.486 -19.171 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.761 -9.426 -19.835 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.949 -7.710 -20.266 1.00 0.00 H new