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 Set 1.1: A 55 HIS : no HD1:sc= -4.72! C(o=-4.7!,f=-6.8!) USER MOD Set 1.2: A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -173:sc= -4.68 (180deg=-4.95) USER MOD Single : A 14 ASN : amide:sc= -3.32! C(o=-3.3!,f=-17!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.657 F(o=-2.3,f=-0.66) USER MOD Single : A 18 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.497) USER MOD Single : A 20 SER OG : rot 67:sc= 0.238 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= -0.515 F(o=-2.7,f=-0.51) USER MOD Single : A 31 HIS : no HD1:sc= -3.85! C(o=-3.9!,f=-5.9!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 146:sc= -0.262 (180deg=-2.83!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.338 K(o=-0.34,f=-3.3!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN :FLIP amide:sc= -0.519 F(o=-1.2,f=-0.52) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.0999 K(o=-0.1,f=-1.8!) USER MOD Single : A 53 LYS NZ :NH3+ -143:sc= 0.145 (180deg=-0.368) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -1.15 K(o=-1.2,f=-3.7!) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN : amide:sc= -2.16 K(o=-2.2,f=-3.6!) 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 : no HE2:sc= -1.73 K(o=-1.7,f=-2.6!) 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= -1.27 USER MOD Single : A 81 GLN : amide:sc= -0.268 K(o=-0.27,f=-2.5!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 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 -12.480 -3.987 -7.131 1.00 0.00 N ATOM 60 CA GLY A 7 -11.908 -5.269 -6.757 1.00 0.00 C ATOM 61 C GLY A 7 -10.593 -5.082 -5.996 1.00 0.00 C ATOM 62 O GLY A 7 -10.599 -4.791 -4.801 1.00 0.00 O ATOM 0 HA2 GLY A 7 -12.616 -5.820 -6.138 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.733 -5.868 -7.651 1.00 0.00 H new ATOM 66 N PRO A 8 -9.469 -5.262 -6.740 1.00 0.00 N ATOM 67 CA PRO A 8 -8.149 -5.116 -6.149 1.00 0.00 C ATOM 68 C PRO A 8 -7.808 -3.641 -5.926 1.00 0.00 C ATOM 69 O PRO A 8 -7.887 -2.835 -6.852 1.00 0.00 O ATOM 70 CB PRO A 8 -7.205 -5.804 -7.121 1.00 0.00 C ATOM 71 CG PRO A 8 -7.958 -5.901 -8.437 1.00 0.00 C ATOM 72 CD PRO A 8 -9.423 -5.607 -8.158 1.00 0.00 C ATOM 0 HA PRO A 8 -8.079 -5.567 -5.159 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.283 -5.234 -7.240 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.924 -6.793 -6.758 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.557 -5.190 -9.160 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.844 -6.895 -8.870 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.787 -4.787 -8.777 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -10.049 -6.473 -8.375 1.00 0.00 H new ATOM 80 N LYS A 9 -7.436 -3.332 -4.692 1.00 0.00 N ATOM 81 CA LYS A 9 -7.083 -1.969 -4.336 1.00 0.00 C ATOM 82 C LYS A 9 -5.581 -1.765 -4.543 1.00 0.00 C ATOM 83 O LYS A 9 -4.787 -2.669 -4.287 1.00 0.00 O ATOM 84 CB LYS A 9 -7.558 -1.645 -2.918 1.00 0.00 C ATOM 85 CG LYS A 9 -6.586 -2.198 -1.875 1.00 0.00 C ATOM 86 CD LYS A 9 -6.802 -3.698 -1.664 1.00 0.00 C ATOM 87 CE LYS A 9 -6.691 -4.066 -0.183 1.00 0.00 C ATOM 88 NZ LYS A 9 -8.036 -4.254 0.406 1.00 0.00 N ATOM 0 H LYS A 9 -7.372 -4.003 -3.926 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.594 -1.261 -4.988 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.649 -0.565 -2.799 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.549 -2.068 -2.757 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.560 -2.016 -2.196 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.722 -1.671 -0.931 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.784 -3.984 -2.041 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.065 -4.259 -2.238 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.108 -4.980 -0.072 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.159 -3.281 0.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.943 -4.503 1.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.580 -3.372 0.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.531 -5.019 -0.096 1.00 0.00 H new ATOM 102 N LYS A 10 -5.236 -0.572 -5.005 1.00 0.00 N ATOM 103 CA LYS A 10 -3.843 -0.238 -5.249 1.00 0.00 C ATOM 104 C LYS A 10 -3.044 -0.427 -3.958 1.00 0.00 C ATOM 105 O LYS A 10 -3.196 0.343 -3.011 1.00 0.00 O ATOM 106 CB LYS A 10 -3.725 1.166 -5.846 1.00 0.00 C ATOM 107 CG LYS A 10 -2.602 1.228 -6.883 1.00 0.00 C ATOM 108 CD LYS A 10 -1.235 1.028 -6.224 1.00 0.00 C ATOM 109 CE LYS A 10 -0.424 -0.042 -6.958 1.00 0.00 C ATOM 110 NZ LYS A 10 0.485 0.583 -7.945 1.00 0.00 N ATOM 0 H LYS A 10 -5.897 0.175 -5.217 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.414 -0.911 -5.991 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.670 1.448 -6.311 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.532 1.888 -5.052 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.760 0.461 -7.641 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.626 2.191 -7.393 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.686 1.970 -6.224 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.369 0.737 -5.182 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.154 -0.625 -6.241 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.097 -0.735 -7.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.028 -0.157 -8.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.073 1.120 -8.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.140 1.226 -7.456 1.00 0.00 H new ATOM 124 N PRO A 11 -2.187 -1.483 -3.961 1.00 0.00 N ATOM 125 CA PRO A 11 -1.364 -1.783 -2.802 1.00 0.00 C ATOM 126 C PRO A 11 -0.201 -0.795 -2.686 1.00 0.00 C ATOM 127 O PRO A 11 0.009 0.030 -3.573 1.00 0.00 O ATOM 128 CB PRO A 11 -0.906 -3.218 -3.005 1.00 0.00 C ATOM 129 CG PRO A 11 -1.103 -3.513 -4.483 1.00 0.00 C ATOM 130 CD PRO A 11 -1.980 -2.417 -5.065 1.00 0.00 C ATOM 0 HA PRO A 11 -1.907 -1.682 -1.862 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.139 -3.339 -2.718 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.487 -3.904 -2.389 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.142 -3.546 -4.997 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.571 -4.488 -4.618 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.495 -1.929 -5.911 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.927 -2.818 -5.428 1.00 0.00 H new ATOM 138 N PRO A 12 0.544 -0.915 -1.554 1.00 0.00 N ATOM 139 CA PRO A 12 1.680 -0.043 -1.310 1.00 0.00 C ATOM 140 C PRO A 12 2.874 -0.442 -2.180 1.00 0.00 C ATOM 141 O PRO A 12 2.889 -1.526 -2.761 1.00 0.00 O ATOM 142 CB PRO A 12 1.961 -0.170 0.178 1.00 0.00 C ATOM 143 CG PRO A 12 1.277 -1.453 0.624 1.00 0.00 C ATOM 144 CD PRO A 12 0.325 -1.881 -0.481 1.00 0.00 C ATOM 0 HA PRO A 12 1.479 0.995 -1.577 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.033 -0.212 0.371 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.572 0.690 0.724 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.015 -2.232 0.816 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.734 -1.292 1.555 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.536 -2.897 -0.814 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.710 -1.866 -0.140 1.00 0.00 H new ATOM 152 N MET A 13 3.847 0.456 -2.242 1.00 0.00 N ATOM 153 CA MET A 13 5.042 0.211 -3.031 1.00 0.00 C ATOM 154 C MET A 13 6.284 0.152 -2.140 1.00 0.00 C ATOM 155 O MET A 13 7.321 -0.369 -2.548 1.00 0.00 O ATOM 156 CB MET A 13 5.208 1.326 -4.065 1.00 0.00 C ATOM 157 CG MET A 13 5.628 2.636 -3.397 1.00 0.00 C ATOM 158 SD MET A 13 7.121 3.257 -4.154 1.00 0.00 S ATOM 159 CE MET A 13 8.233 1.906 -3.800 1.00 0.00 C ATOM 0 H MET A 13 3.832 1.354 -1.759 1.00 0.00 H new ATOM 0 HA MET A 13 4.933 -0.750 -3.534 1.00 0.00 H new ATOM 0 HB2 MET A 13 5.955 1.034 -4.803 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.270 1.472 -4.601 1.00 0.00 H new ATOM 0 HG2 MET A 13 4.830 3.373 -3.489 1.00 0.00 H new ATOM 0 HG3 MET A 13 5.791 2.474 -2.331 1.00 0.00 H new ATOM 0 HE1 MET A 13 9.246 2.182 -4.094 1.00 0.00 H new ATOM 0 HE2 MET A 13 8.212 1.688 -2.732 1.00 0.00 H new ATOM 0 HE3 MET A 13 7.921 1.022 -4.357 1.00 0.00 H new ATOM 169 N ASN A 14 6.139 0.693 -0.939 1.00 0.00 N ATOM 170 CA ASN A 14 7.236 0.709 0.013 1.00 0.00 C ATOM 171 C ASN A 14 6.697 0.405 1.412 1.00 0.00 C ATOM 172 O ASN A 14 5.553 0.732 1.724 1.00 0.00 O ATOM 173 CB ASN A 14 7.910 2.082 0.054 1.00 0.00 C ATOM 174 CG ASN A 14 6.870 3.203 0.062 1.00 0.00 C ATOM 175 OD1 ASN A 14 6.075 3.342 0.977 1.00 0.00 O ATOM 176 ND2 ASN A 14 6.919 3.994 -1.006 1.00 0.00 N ATOM 0 H ASN A 14 5.277 1.124 -0.604 1.00 0.00 H new ATOM 0 HA ASN A 14 7.963 -0.041 -0.299 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.537 2.157 0.942 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.565 2.195 -0.810 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.266 4.772 -1.095 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.610 3.822 -1.737 1.00 0.00 H new ATOM 183 N GLY A 15 7.545 -0.218 2.216 1.00 0.00 N ATOM 184 CA GLY A 15 7.168 -0.570 3.574 1.00 0.00 C ATOM 185 C GLY A 15 6.440 0.588 4.259 1.00 0.00 C ATOM 186 O GLY A 15 5.431 0.381 4.932 1.00 0.00 O ATOM 0 H GLY A 15 8.493 -0.488 1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.526 -1.451 3.560 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.058 -0.834 4.145 1.00 0.00 H new ATOM 190 N TYR A 16 6.980 1.782 4.063 1.00 0.00 N ATOM 191 CA TYR A 16 6.394 2.974 4.654 1.00 0.00 C ATOM 192 C TYR A 16 4.909 3.086 4.303 1.00 0.00 C ATOM 193 O TYR A 16 4.050 2.944 5.171 1.00 0.00 O ATOM 194 CB TYR A 16 7.142 4.159 4.040 1.00 0.00 C ATOM 195 CG TYR A 16 6.618 5.525 4.489 1.00 0.00 C ATOM 196 CD1 TYR A 16 6.397 5.774 5.828 1.00 0.00 C ATOM 197 CD2 TYR A 16 6.367 6.508 3.554 1.00 0.00 C ATOM 198 CE1 TYR A 16 5.904 7.059 6.250 1.00 0.00 C ATOM 199 CE2 TYR A 16 5.874 7.794 3.976 1.00 0.00 C ATOM 200 CZ TYR A 16 5.667 8.006 5.303 1.00 0.00 C ATOM 201 OH TYR A 16 5.201 9.220 5.702 1.00 0.00 O ATOM 0 H TYR A 16 7.816 1.950 3.504 1.00 0.00 H new ATOM 0 HA TYR A 16 6.476 2.945 5.740 1.00 0.00 H new ATOM 0 HB2 TYR A 16 8.198 4.083 4.299 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.075 4.095 2.954 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.594 5.005 6.560 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.540 6.313 2.506 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.726 7.266 7.295 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.673 8.572 3.255 1.00 0.00 H new ATOM 0 HH TYR A 16 5.079 9.797 4.919 1.00 0.00 H new ATOM 211 N GLN A 17 4.653 3.341 3.028 1.00 0.00 N ATOM 212 CA GLN A 17 3.287 3.475 2.552 1.00 0.00 C ATOM 213 C GLN A 17 2.402 2.388 3.166 1.00 0.00 C ATOM 214 O GLN A 17 1.246 2.640 3.501 1.00 0.00 O ATOM 215 CB GLN A 17 3.232 3.428 1.024 1.00 0.00 C ATOM 216 CG GLN A 17 3.485 4.812 0.423 1.00 0.00 C ATOM 217 CD GLN A 17 2.987 4.882 -1.022 1.00 0.00 C ATOM 218 OE1 GLN A 17 3.374 3.858 -1.778 1.00 0.00 O flip ATOM 219 NE2 GLN A 17 2.298 5.804 -1.424 1.00 0.00 N flip ATOM 0 H GLN A 17 5.368 3.458 2.310 1.00 0.00 H new ATOM 0 HA GLN A 17 2.907 4.447 2.867 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.976 2.724 0.651 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.257 3.061 0.703 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.981 5.570 1.022 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.551 5.037 0.455 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.036 6.559 -0.790 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.983 5.820 -2.394 1.00 0.00 H new ATOM 228 N LYS A 18 2.979 1.202 3.295 1.00 0.00 N ATOM 229 CA LYS A 18 2.258 0.076 3.862 1.00 0.00 C ATOM 230 C LYS A 18 1.937 0.369 5.330 1.00 0.00 C ATOM 231 O LYS A 18 0.773 0.370 5.726 1.00 0.00 O ATOM 232 CB LYS A 18 3.039 -1.223 3.651 1.00 0.00 C ATOM 233 CG LYS A 18 2.400 -2.379 4.422 1.00 0.00 C ATOM 234 CD LYS A 18 1.770 -3.394 3.467 1.00 0.00 C ATOM 235 CE LYS A 18 0.648 -4.173 4.156 1.00 0.00 C ATOM 236 NZ LYS A 18 0.452 -5.487 3.502 1.00 0.00 N ATOM 0 H LYS A 18 3.938 0.997 3.016 1.00 0.00 H new ATOM 0 HA LYS A 18 1.307 -0.065 3.348 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.071 -1.464 2.588 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.070 -1.089 3.978 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.154 -2.872 5.036 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.639 -1.992 5.100 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.375 -2.878 2.592 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.533 -4.086 3.112 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.890 -4.317 5.209 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.278 -3.599 4.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.549 -5.600 3.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.040 -5.540 2.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.727 -6.246 4.158 1.00 0.00 H new ATOM 250 N PHE A 19 2.991 0.610 6.096 1.00 0.00 N ATOM 251 CA PHE A 19 2.837 0.903 7.510 1.00 0.00 C ATOM 252 C PHE A 19 1.887 2.083 7.725 1.00 0.00 C ATOM 253 O PHE A 19 1.040 2.049 8.616 1.00 0.00 O ATOM 254 CB PHE A 19 4.222 1.274 8.044 1.00 0.00 C ATOM 255 CG PHE A 19 4.194 2.260 9.214 1.00 0.00 C ATOM 256 CD1 PHE A 19 3.894 1.822 10.466 1.00 0.00 C ATOM 257 CD2 PHE A 19 4.470 3.575 9.001 1.00 0.00 C ATOM 258 CE1 PHE A 19 3.869 2.737 11.551 1.00 0.00 C ATOM 259 CE2 PHE A 19 4.444 4.490 10.087 1.00 0.00 C ATOM 260 CZ PHE A 19 4.144 4.051 11.339 1.00 0.00 C ATOM 0 H PHE A 19 3.955 0.608 5.763 1.00 0.00 H new ATOM 0 HA PHE A 19 2.421 0.038 8.026 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.734 0.365 8.360 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.809 1.705 7.233 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.675 0.778 10.635 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.709 3.923 8.007 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.631 2.389 12.545 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.662 5.534 9.919 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.124 4.747 12.165 1.00 0.00 H new ATOM 270 N SER A 20 2.060 3.100 6.893 1.00 0.00 N ATOM 271 CA SER A 20 1.230 4.288 6.980 1.00 0.00 C ATOM 272 C SER A 20 -0.245 3.908 6.834 1.00 0.00 C ATOM 273 O SER A 20 -1.054 4.194 7.716 1.00 0.00 O ATOM 274 CB SER A 20 1.621 5.314 5.915 1.00 0.00 C ATOM 275 OG SER A 20 2.996 5.679 6.005 1.00 0.00 O ATOM 0 H SER A 20 2.764 3.125 6.155 1.00 0.00 H new ATOM 0 HA SER A 20 1.387 4.743 7.958 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.419 4.904 4.925 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.002 6.204 6.024 1.00 0.00 H new ATOM 0 HG SER A 20 3.555 4.910 5.768 1.00 0.00 H new ATOM 281 N GLN A 21 -0.550 3.269 5.714 1.00 0.00 N ATOM 282 CA GLN A 21 -1.913 2.847 5.441 1.00 0.00 C ATOM 283 C GLN A 21 -2.526 2.195 6.683 1.00 0.00 C ATOM 284 O GLN A 21 -3.728 2.309 6.919 1.00 0.00 O ATOM 285 CB GLN A 21 -1.964 1.897 4.243 1.00 0.00 C ATOM 286 CG GLN A 21 -2.495 2.612 2.999 1.00 0.00 C ATOM 287 CD GLN A 21 -1.593 2.354 1.790 1.00 0.00 C ATOM 288 OE1 GLN A 21 -0.950 3.246 1.262 1.00 0.00 O ATOM 289 NE2 GLN A 21 -1.582 1.088 1.384 1.00 0.00 N ATOM 0 H GLN A 21 0.124 3.033 4.985 1.00 0.00 H new ATOM 0 HA GLN A 21 -2.501 3.729 5.189 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.967 1.504 4.043 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.602 1.045 4.477 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.507 2.269 2.782 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.556 3.683 3.189 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.145 0.391 1.872 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.011 0.814 0.585 1.00 0.00 H new ATOM 298 N GLU A 22 -1.671 1.527 7.444 1.00 0.00 N ATOM 299 CA GLU A 22 -2.114 0.857 8.655 1.00 0.00 C ATOM 300 C GLU A 22 -2.635 1.880 9.667 1.00 0.00 C ATOM 301 O GLU A 22 -3.669 1.663 10.297 1.00 0.00 O ATOM 302 CB GLU A 22 -0.988 0.014 9.258 1.00 0.00 C ATOM 303 CG GLU A 22 -1.497 -1.370 9.666 1.00 0.00 C ATOM 304 CD GLU A 22 -1.078 -1.708 11.098 1.00 0.00 C ATOM 305 OE1 GLU A 22 -0.009 -1.206 11.510 1.00 0.00 O ATOM 306 OE2 GLU A 22 -1.835 -2.461 11.748 1.00 0.00 O ATOM 0 H GLU A 22 -0.675 1.436 7.246 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.930 0.182 8.396 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.180 -0.091 8.534 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.573 0.524 10.128 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.584 -1.400 9.584 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.105 -2.122 8.981 1.00 0.00 H new ATOM 313 N LEU A 23 -1.895 2.972 9.791 1.00 0.00 N ATOM 314 CA LEU A 23 -2.269 4.028 10.716 1.00 0.00 C ATOM 315 C LEU A 23 -3.504 4.755 10.180 1.00 0.00 C ATOM 316 O LEU A 23 -4.288 5.307 10.951 1.00 0.00 O ATOM 317 CB LEU A 23 -1.080 4.952 10.984 1.00 0.00 C ATOM 318 CG LEU A 23 0.106 4.324 11.719 1.00 0.00 C ATOM 319 CD1 LEU A 23 1.433 4.807 11.132 1.00 0.00 C ATOM 320 CD2 LEU A 23 0.017 4.582 13.224 1.00 0.00 C ATOM 0 H LEU A 23 -1.038 3.148 9.266 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.541 3.608 11.684 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.726 5.341 10.030 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.432 5.805 11.565 1.00 0.00 H new ATOM 0 HG LEU A 23 0.064 3.244 11.575 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.259 4.346 11.673 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.488 4.529 10.079 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.499 5.891 11.225 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.872 4.125 13.723 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.020 5.656 13.410 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.904 4.149 13.614 1.00 0.00 H new ATOM 332 N LEU A 24 -3.640 4.731 8.862 1.00 0.00 N ATOM 333 CA LEU A 24 -4.766 5.381 8.214 1.00 0.00 C ATOM 334 C LEU A 24 -6.020 4.524 8.399 1.00 0.00 C ATOM 335 O LEU A 24 -7.135 5.044 8.415 1.00 0.00 O ATOM 336 CB LEU A 24 -4.440 5.685 6.750 1.00 0.00 C ATOM 337 CG LEU A 24 -3.404 6.784 6.508 1.00 0.00 C ATOM 338 CD1 LEU A 24 -3.453 7.275 5.060 1.00 0.00 C ATOM 339 CD2 LEU A 24 -3.576 7.930 7.507 1.00 0.00 C ATOM 0 H LEU A 24 -2.989 4.271 8.226 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.967 6.346 8.679 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.085 4.768 6.280 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.363 5.966 6.244 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.413 6.360 6.671 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.707 8.056 4.915 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.244 6.444 4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.444 7.676 4.845 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.827 8.698 7.313 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.572 8.360 7.400 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.452 7.550 8.521 1.00 0.00 H new ATOM 351 N SER A 25 -5.795 3.225 8.536 1.00 0.00 N ATOM 352 CA SER A 25 -6.893 2.291 8.720 1.00 0.00 C ATOM 353 C SER A 25 -7.103 2.018 10.210 1.00 0.00 C ATOM 354 O SER A 25 -8.189 1.613 10.623 1.00 0.00 O ATOM 355 CB SER A 25 -6.633 0.982 7.972 1.00 0.00 C ATOM 356 OG SER A 25 -7.694 0.659 7.077 1.00 0.00 O ATOM 0 H SER A 25 -4.869 2.798 8.523 1.00 0.00 H new ATOM 0 HA SER A 25 -7.797 2.740 8.309 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.700 1.062 7.414 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.506 0.173 8.691 1.00 0.00 H new ATOM 0 HG SER A 25 -7.490 -0.182 6.617 1.00 0.00 H new ATOM 362 N ASN A 26 -6.048 2.251 10.977 1.00 0.00 N ATOM 363 CA ASN A 26 -6.104 2.036 12.413 1.00 0.00 C ATOM 364 C ASN A 26 -6.886 3.177 13.066 1.00 0.00 C ATOM 365 O ASN A 26 -7.945 2.953 13.651 1.00 0.00 O ATOM 366 CB ASN A 26 -4.700 2.016 13.021 1.00 0.00 C ATOM 367 CG ASN A 26 -3.973 0.713 12.680 1.00 0.00 C ATOM 368 OD1 ASN A 26 -2.674 0.866 12.439 1.00 0.00 O flip ATOM 369 ND2 ASN A 26 -4.553 -0.359 12.639 1.00 0.00 N flip ATOM 0 H ASN A 26 -5.149 2.587 10.631 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.589 1.076 12.592 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.126 2.865 12.649 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.767 2.127 14.103 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.553 -0.406 12.835 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.038 -1.209 12.409 1.00 0.00 H new ATOM 376 N GLY A 27 -6.335 4.375 12.943 1.00 0.00 N ATOM 377 CA GLY A 27 -6.968 5.552 13.514 1.00 0.00 C ATOM 378 C GLY A 27 -6.285 5.963 14.820 1.00 0.00 C ATOM 379 O GLY A 27 -6.916 6.551 15.696 1.00 0.00 O ATOM 0 H GLY A 27 -5.457 4.556 12.456 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.923 6.375 12.801 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.023 5.348 13.699 1.00 0.00 H new ATOM 383 N GLU A 28 -5.004 5.637 14.908 1.00 0.00 N ATOM 384 CA GLU A 28 -4.228 5.965 16.092 1.00 0.00 C ATOM 385 C GLU A 28 -3.952 7.469 16.146 1.00 0.00 C ATOM 386 O GLU A 28 -3.608 8.003 17.199 1.00 0.00 O ATOM 387 CB GLU A 28 -2.924 5.166 16.131 1.00 0.00 C ATOM 388 CG GLU A 28 -3.077 3.830 15.402 1.00 0.00 C ATOM 389 CD GLU A 28 -2.126 2.779 15.979 1.00 0.00 C ATOM 390 OE1 GLU A 28 -2.287 2.466 17.179 1.00 0.00 O ATOM 391 OE2 GLU A 28 -1.261 2.311 15.207 1.00 0.00 O ATOM 0 H GLU A 28 -4.484 5.149 14.179 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.810 5.691 16.972 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.124 5.746 15.671 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.633 4.988 17.166 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.106 3.481 15.487 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.874 3.966 14.340 1.00 0.00 H new ATOM 398 N LEU A 29 -4.112 8.109 14.997 1.00 0.00 N ATOM 399 CA LEU A 29 -3.884 9.541 14.900 1.00 0.00 C ATOM 400 C LEU A 29 -5.118 10.209 14.291 1.00 0.00 C ATOM 401 O LEU A 29 -4.996 11.151 13.509 1.00 0.00 O ATOM 402 CB LEU A 29 -2.590 9.827 14.136 1.00 0.00 C ATOM 403 CG LEU A 29 -1.652 8.635 13.935 1.00 0.00 C ATOM 404 CD1 LEU A 29 -0.766 8.836 12.704 1.00 0.00 C ATOM 405 CD2 LEU A 29 -0.830 8.365 15.196 1.00 0.00 C ATOM 0 H LEU A 29 -4.397 7.662 14.125 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.744 9.972 15.891 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.851 10.228 13.157 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.044 10.608 14.665 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.260 7.749 13.752 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.109 7.975 12.584 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.392 8.941 11.818 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.165 9.736 12.832 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.172 7.513 15.026 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.231 9.244 15.435 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.500 8.145 16.027 1.00 0.00 H new ATOM 417 N ASN A 30 -6.279 9.696 14.673 1.00 0.00 N ATOM 418 CA ASN A 30 -7.534 10.232 14.174 1.00 0.00 C ATOM 419 C ASN A 30 -7.910 11.475 14.983 1.00 0.00 C ATOM 420 O ASN A 30 -8.915 12.124 14.698 1.00 0.00 O ATOM 421 CB ASN A 30 -8.665 9.212 14.322 1.00 0.00 C ATOM 422 CG ASN A 30 -9.198 8.784 12.953 1.00 0.00 C ATOM 423 OD1 ASN A 30 -8.258 8.354 12.116 1.00 0.00 O flip ATOM 424 ND2 ASN A 30 -10.385 8.839 12.676 1.00 0.00 N flip ATOM 0 H ASN A 30 -6.377 8.915 15.322 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.402 10.475 13.120 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.304 8.339 14.865 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.473 9.643 14.913 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.054 9.180 13.366 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.708 8.544 11.754 1.00 0.00 H new ATOM 431 N HIS A 31 -7.083 11.769 15.975 1.00 0.00 N ATOM 432 CA HIS A 31 -7.316 12.923 16.827 1.00 0.00 C ATOM 433 C HIS A 31 -6.950 14.202 16.070 1.00 0.00 C ATOM 434 O HIS A 31 -7.344 15.297 16.468 1.00 0.00 O ATOM 435 CB HIS A 31 -6.563 12.782 18.151 1.00 0.00 C ATOM 436 CG HIS A 31 -5.077 12.566 17.993 1.00 0.00 C ATOM 437 ND1 HIS A 31 -4.530 11.341 17.652 1.00 0.00 N ATOM 438 CD2 HIS A 31 -4.031 13.430 18.132 1.00 0.00 C ATOM 439 CE1 HIS A 31 -3.213 11.474 17.592 1.00 0.00 C ATOM 440 NE2 HIS A 31 -2.906 12.769 17.890 1.00 0.00 N ATOM 0 H HIS A 31 -6.250 11.228 16.208 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.374 12.983 17.082 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -6.728 13.679 18.748 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -6.984 11.946 18.709 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -4.106 14.475 18.395 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -2.507 10.694 17.350 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -1.966 13.164 17.922 1.00 0.00 H new ATOM 448 N LEU A 32 -6.200 14.020 14.993 1.00 0.00 N ATOM 449 CA LEU A 32 -5.776 15.145 14.178 1.00 0.00 C ATOM 450 C LEU A 32 -6.255 14.936 12.739 1.00 0.00 C ATOM 451 O LEU A 32 -6.701 13.847 12.382 1.00 0.00 O ATOM 452 CB LEU A 32 -4.265 15.356 14.298 1.00 0.00 C ATOM 453 CG LEU A 32 -3.459 14.157 14.801 1.00 0.00 C ATOM 454 CD1 LEU A 32 -3.186 13.165 13.668 1.00 0.00 C ATOM 455 CD2 LEU A 32 -2.170 14.612 15.488 1.00 0.00 C ATOM 0 H LEU A 32 -5.875 13.110 14.666 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.232 16.068 14.536 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.879 15.643 13.320 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.088 16.196 14.970 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.055 13.635 15.549 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.612 12.322 14.053 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.132 12.805 13.264 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.620 13.660 12.879 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.616 13.740 15.836 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.559 15.172 14.780 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.416 15.249 16.338 1.00 0.00 H new ATOM 467 N PRO A 33 -6.142 16.024 11.932 1.00 0.00 N ATOM 468 CA PRO A 33 -6.558 15.970 10.541 1.00 0.00 C ATOM 469 C PRO A 33 -5.545 15.196 9.695 1.00 0.00 C ATOM 470 O PRO A 33 -4.396 15.024 10.099 1.00 0.00 O ATOM 471 CB PRO A 33 -6.699 17.423 10.116 1.00 0.00 C ATOM 472 CG PRO A 33 -5.913 18.233 11.134 1.00 0.00 C ATOM 473 CD PRO A 33 -5.618 17.330 12.321 1.00 0.00 C ATOM 0 HA PRO A 33 -7.498 15.435 10.404 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.308 17.575 9.110 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.746 17.726 10.100 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.986 18.601 10.695 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.484 19.106 11.451 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.549 17.282 12.526 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -6.101 17.697 13.227 1.00 0.00 H new ATOM 481 N LEU A 34 -6.008 14.748 8.538 1.00 0.00 N ATOM 482 CA LEU A 34 -5.157 13.996 7.632 1.00 0.00 C ATOM 483 C LEU A 34 -3.765 14.630 7.602 1.00 0.00 C ATOM 484 O LEU A 34 -2.768 13.961 7.872 1.00 0.00 O ATOM 485 CB LEU A 34 -5.811 13.881 6.253 1.00 0.00 C ATOM 486 CG LEU A 34 -5.126 12.938 5.262 1.00 0.00 C ATOM 487 CD1 LEU A 34 -3.619 13.197 5.211 1.00 0.00 C ATOM 488 CD2 LEU A 34 -5.446 11.477 5.585 1.00 0.00 C ATOM 0 H LEU A 34 -6.962 14.891 8.207 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.034 12.973 7.987 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.840 13.549 6.388 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.852 14.875 5.808 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.522 13.142 4.267 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.156 12.513 4.499 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.437 14.225 4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.189 13.037 6.200 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.947 10.828 4.866 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.096 11.242 6.590 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.523 11.320 5.530 1.00 0.00 H new ATOM 500 N LYS A 35 -3.741 15.913 7.271 1.00 0.00 N ATOM 501 CA LYS A 35 -2.488 16.644 7.203 1.00 0.00 C ATOM 502 C LYS A 35 -1.548 16.142 8.300 1.00 0.00 C ATOM 503 O LYS A 35 -0.532 15.511 8.012 1.00 0.00 O ATOM 504 CB LYS A 35 -2.744 18.152 7.255 1.00 0.00 C ATOM 505 CG LYS A 35 -1.428 18.931 7.274 1.00 0.00 C ATOM 506 CD LYS A 35 -0.958 19.249 5.853 1.00 0.00 C ATOM 507 CE LYS A 35 0.371 20.007 5.872 1.00 0.00 C ATOM 508 NZ LYS A 35 0.169 21.418 5.475 1.00 0.00 N ATOM 0 H LYS A 35 -4.569 16.464 7.047 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.992 16.460 6.250 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.337 18.454 6.392 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.327 18.395 8.143 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.558 19.857 7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.665 18.350 7.792 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.845 18.324 5.288 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.713 19.845 5.341 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.807 19.963 6.870 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.078 19.530 5.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.081 21.918 5.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.227 21.455 4.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.489 21.874 6.138 1.00 0.00 H new ATOM 522 N GLU A 36 -1.920 16.440 9.536 1.00 0.00 N ATOM 523 CA GLU A 36 -1.123 16.027 10.678 1.00 0.00 C ATOM 524 C GLU A 36 -0.844 14.524 10.615 1.00 0.00 C ATOM 525 O GLU A 36 0.307 14.098 10.700 1.00 0.00 O ATOM 526 CB GLU A 36 -1.812 16.401 11.992 1.00 0.00 C ATOM 527 CG GLU A 36 -1.350 17.775 12.481 1.00 0.00 C ATOM 528 CD GLU A 36 -0.920 17.719 13.949 1.00 0.00 C ATOM 529 OE1 GLU A 36 -1.824 17.800 14.808 1.00 0.00 O ATOM 530 OE2 GLU A 36 0.303 17.596 14.177 1.00 0.00 O ATOM 0 H GLU A 36 -2.763 16.963 9.772 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.171 16.556 10.641 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.893 16.405 11.852 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.592 15.649 12.749 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.518 18.122 11.868 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.157 18.498 12.362 1.00 0.00 H new ATOM 537 N ARG A 37 -1.917 13.761 10.465 1.00 0.00 N ATOM 538 CA ARG A 37 -1.802 12.314 10.389 1.00 0.00 C ATOM 539 C ARG A 37 -0.559 11.922 9.586 1.00 0.00 C ATOM 540 O ARG A 37 0.356 11.297 10.119 1.00 0.00 O ATOM 541 CB ARG A 37 -3.039 11.697 9.733 1.00 0.00 C ATOM 542 CG ARG A 37 -3.925 11.009 10.774 1.00 0.00 C ATOM 543 CD ARG A 37 -5.216 10.490 10.138 1.00 0.00 C ATOM 544 NE ARG A 37 -6.383 11.187 10.724 1.00 0.00 N ATOM 545 CZ ARG A 37 -7.656 10.820 10.522 1.00 0.00 C ATOM 546 NH1 ARG A 37 -7.933 9.761 9.748 1.00 0.00 N ATOM 547 NH2 ARG A 37 -8.652 11.511 11.093 1.00 0.00 N ATOM 0 H ARG A 37 -2.870 14.117 10.394 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.717 11.934 11.407 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.609 12.472 9.221 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.732 10.975 8.977 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.381 10.181 11.229 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.165 11.710 11.573 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.190 10.649 9.060 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.305 9.416 10.299 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.207 11.997 11.319 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.175 9.235 9.313 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.902 9.481 9.594 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.441 12.317 11.682 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.621 11.231 10.939 1.00 0.00 H new ATOM 561 N MET A 38 -0.567 12.307 8.318 1.00 0.00 N ATOM 562 CA MET A 38 0.548 12.003 7.437 1.00 0.00 C ATOM 563 C MET A 38 1.883 12.330 8.110 1.00 0.00 C ATOM 564 O MET A 38 2.655 11.430 8.435 1.00 0.00 O ATOM 565 CB MET A 38 0.414 12.813 6.147 1.00 0.00 C ATOM 566 CG MET A 38 -0.638 12.200 5.221 1.00 0.00 C ATOM 567 SD MET A 38 0.132 11.036 4.107 1.00 0.00 S ATOM 568 CE MET A 38 -0.254 9.506 4.941 1.00 0.00 C ATOM 0 H MET A 38 -1.328 12.827 7.880 1.00 0.00 H new ATOM 0 HA MET A 38 0.528 10.937 7.211 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.139 13.840 6.386 1.00 0.00 H new ATOM 0 HB3 MET A 38 1.376 12.851 5.636 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.405 11.698 5.811 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.136 12.985 4.652 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.417 8.720 4.203 1.00 0.00 H new ATOM 0 HE2 MET A 38 0.575 9.227 5.591 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.156 9.635 5.539 1.00 0.00 H new ATOM 578 N VAL A 39 2.113 13.621 8.299 1.00 0.00 N ATOM 579 CA VAL A 39 3.341 14.079 8.927 1.00 0.00 C ATOM 580 C VAL A 39 3.600 13.255 10.190 1.00 0.00 C ATOM 581 O VAL A 39 4.714 12.781 10.408 1.00 0.00 O ATOM 582 CB VAL A 39 3.261 15.582 9.199 1.00 0.00 C ATOM 583 CG1 VAL A 39 1.993 15.931 9.981 1.00 0.00 C ATOM 584 CG2 VAL A 39 4.510 16.074 9.933 1.00 0.00 C ATOM 0 H VAL A 39 1.470 14.365 8.028 1.00 0.00 H new ATOM 0 HA VAL A 39 4.190 13.928 8.261 1.00 0.00 H new ATOM 0 HB VAL A 39 3.214 16.094 8.238 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.961 17.006 10.161 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.117 15.633 9.405 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.997 15.403 10.935 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.427 17.146 10.114 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.602 15.551 10.885 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.392 15.876 9.324 1.00 0.00 H new ATOM 594 N GLU A 40 2.553 13.110 10.988 1.00 0.00 N ATOM 595 CA GLU A 40 2.653 12.352 12.224 1.00 0.00 C ATOM 596 C GLU A 40 3.107 10.920 11.933 1.00 0.00 C ATOM 597 O GLU A 40 3.909 10.356 12.675 1.00 0.00 O ATOM 598 CB GLU A 40 1.325 12.363 12.983 1.00 0.00 C ATOM 599 CG GLU A 40 1.557 12.477 14.492 1.00 0.00 C ATOM 600 CD GLU A 40 2.405 13.706 14.825 1.00 0.00 C ATOM 601 OE1 GLU A 40 1.805 14.796 14.939 1.00 0.00 O ATOM 602 OE2 GLU A 40 3.635 13.527 14.958 1.00 0.00 O ATOM 0 H GLU A 40 1.631 13.505 10.803 1.00 0.00 H new ATOM 0 HA GLU A 40 3.400 12.827 12.859 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.714 13.198 12.641 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.770 11.451 12.765 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.599 12.542 15.007 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.054 11.578 14.856 1.00 0.00 H new ATOM 609 N ILE A 41 2.573 10.373 10.851 1.00 0.00 N ATOM 610 CA ILE A 41 2.912 9.017 10.452 1.00 0.00 C ATOM 611 C ILE A 41 4.413 8.936 10.164 1.00 0.00 C ATOM 612 O ILE A 41 5.116 8.113 10.747 1.00 0.00 O ATOM 613 CB ILE A 41 2.036 8.568 9.282 1.00 0.00 C ATOM 614 CG1 ILE A 41 0.573 8.436 9.710 1.00 0.00 C ATOM 615 CG2 ILE A 41 2.570 7.275 8.662 1.00 0.00 C ATOM 616 CD1 ILE A 41 -0.369 8.693 8.532 1.00 0.00 C ATOM 0 H ILE A 41 1.908 10.844 10.238 1.00 0.00 H new ATOM 0 HA ILE A 41 2.704 8.318 11.262 1.00 0.00 H new ATOM 0 HB ILE A 41 2.077 9.337 8.511 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.396 7.438 10.110 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.360 9.143 10.512 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.929 6.978 7.832 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.584 7.438 8.297 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.578 6.487 9.415 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.402 8.593 8.864 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.207 9.701 8.150 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.170 7.969 7.742 1.00 0.00 H new ATOM 628 N GLY A 42 4.858 9.801 9.265 1.00 0.00 N ATOM 629 CA GLY A 42 6.262 9.837 8.893 1.00 0.00 C ATOM 630 C GLY A 42 7.160 9.726 10.127 1.00 0.00 C ATOM 631 O GLY A 42 8.205 9.080 10.082 1.00 0.00 O ATOM 0 H GLY A 42 4.271 10.482 8.783 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.481 9.020 8.205 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.478 10.765 8.364 1.00 0.00 H new ATOM 635 N SER A 43 6.718 10.366 11.200 1.00 0.00 N ATOM 636 CA SER A 43 7.468 10.347 12.444 1.00 0.00 C ATOM 637 C SER A 43 7.503 8.927 13.013 1.00 0.00 C ATOM 638 O SER A 43 8.574 8.400 13.310 1.00 0.00 O ATOM 639 CB SER A 43 6.866 11.313 13.466 1.00 0.00 C ATOM 640 OG SER A 43 7.869 11.997 14.211 1.00 0.00 O ATOM 0 H SER A 43 5.850 10.901 11.233 1.00 0.00 H new ATOM 0 HA SER A 43 8.487 10.673 12.233 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.238 12.040 12.951 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.220 10.761 14.149 1.00 0.00 H new ATOM 0 HG SER A 43 7.444 12.605 14.851 1.00 0.00 H new ATOM 646 N ARG A 44 6.319 8.349 13.147 1.00 0.00 N ATOM 647 CA ARG A 44 6.200 7.000 13.675 1.00 0.00 C ATOM 648 C ARG A 44 7.045 6.030 12.846 1.00 0.00 C ATOM 649 O ARG A 44 7.663 5.118 13.393 1.00 0.00 O ATOM 650 CB ARG A 44 4.743 6.532 13.667 1.00 0.00 C ATOM 651 CG ARG A 44 3.914 7.304 14.695 1.00 0.00 C ATOM 652 CD ARG A 44 2.726 6.470 15.179 1.00 0.00 C ATOM 653 NE ARG A 44 2.998 5.938 16.533 1.00 0.00 N ATOM 654 CZ ARG A 44 2.237 5.022 17.147 1.00 0.00 C ATOM 655 NH1 ARG A 44 1.153 4.529 16.532 1.00 0.00 N ATOM 656 NH2 ARG A 44 2.560 4.598 18.376 1.00 0.00 N ATOM 0 H ARG A 44 5.433 8.790 12.899 1.00 0.00 H new ATOM 0 HA ARG A 44 6.560 7.013 14.704 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.318 6.671 12.673 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.699 5.465 13.886 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.542 7.576 15.544 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.555 8.234 14.254 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.824 7.082 15.194 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.542 5.648 14.487 1.00 0.00 H new ATOM 0 HE ARG A 44 3.816 6.291 17.030 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.907 4.851 15.596 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.574 3.832 17.000 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.385 4.973 18.844 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.981 3.901 18.844 1.00 0.00 H new ATOM 670 N TRP A 45 7.044 6.259 11.542 1.00 0.00 N ATOM 671 CA TRP A 45 7.802 5.417 10.633 1.00 0.00 C ATOM 672 C TRP A 45 9.289 5.625 10.925 1.00 0.00 C ATOM 673 O TRP A 45 10.088 4.699 10.790 1.00 0.00 O ATOM 674 CB TRP A 45 7.433 5.709 9.177 1.00 0.00 C ATOM 675 CG TRP A 45 8.376 5.071 8.155 1.00 0.00 C ATOM 676 CD1 TRP A 45 9.406 5.642 7.515 1.00 0.00 C ATOM 677 CD2 TRP A 45 8.336 3.709 7.680 1.00 0.00 C ATOM 678 NE1 TRP A 45 10.029 4.751 6.665 1.00 0.00 N ATOM 679 CE2 TRP A 45 9.357 3.538 6.768 1.00 0.00 C ATOM 680 CE3 TRP A 45 7.464 2.656 8.010 1.00 0.00 C ATOM 681 CZ2 TRP A 45 9.604 2.327 6.111 1.00 0.00 C ATOM 682 CZ3 TRP A 45 7.723 1.452 7.344 1.00 0.00 C ATOM 683 CH2 TRP A 45 8.748 1.264 6.424 1.00 0.00 C ATOM 0 H TRP A 45 6.530 7.016 11.092 1.00 0.00 H new ATOM 0 HA TRP A 45 7.559 4.366 10.789 1.00 0.00 H new ATOM 0 HB2 TRP A 45 6.419 5.354 8.992 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.425 6.788 9.025 1.00 0.00 H new ATOM 0 HD1 TRP A 45 9.710 6.670 7.648 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.834 4.946 6.070 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.659 2.767 8.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 10.411 2.218 5.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 7.082 0.610 7.560 1.00 0.00 H new ATOM 0 HH2 TRP A 45 8.884 0.302 5.953 1.00 0.00 H new ATOM 694 N GLN A 46 9.617 6.847 11.320 1.00 0.00 N ATOM 695 CA GLN A 46 10.994 7.188 11.633 1.00 0.00 C ATOM 696 C GLN A 46 11.347 6.727 13.049 1.00 0.00 C ATOM 697 O GLN A 46 12.510 6.765 13.446 1.00 0.00 O ATOM 698 CB GLN A 46 11.238 8.689 11.468 1.00 0.00 C ATOM 699 CG GLN A 46 11.295 9.077 9.989 1.00 0.00 C ATOM 700 CD GLN A 46 12.687 9.586 9.609 1.00 0.00 C ATOM 701 OE1 GLN A 46 13.549 9.798 10.447 1.00 0.00 O ATOM 702 NE2 GLN A 46 12.858 9.770 8.303 1.00 0.00 N ATOM 0 H GLN A 46 8.952 7.613 11.430 1.00 0.00 H new ATOM 0 HA GLN A 46 11.645 6.668 10.930 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.443 9.247 11.963 1.00 0.00 H new ATOM 0 HB3 GLN A 46 12.173 8.965 11.956 1.00 0.00 H new ATOM 0 HG2 GLN A 46 11.038 8.215 9.373 1.00 0.00 H new ATOM 0 HG3 GLN A 46 10.553 9.848 9.783 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.095 9.573 7.656 1.00 0.00 H new ATOM 0 HE22 GLN A 46 13.753 10.108 7.948 1.00 0.00 H new ATOM 711 N ARG A 47 10.321 6.303 13.772 1.00 0.00 N ATOM 712 CA ARG A 47 10.508 5.835 15.134 1.00 0.00 C ATOM 713 C ARG A 47 10.766 4.327 15.148 1.00 0.00 C ATOM 714 O ARG A 47 11.632 3.848 15.878 1.00 0.00 O ATOM 715 CB ARG A 47 9.281 6.144 15.996 1.00 0.00 C ATOM 716 CG ARG A 47 9.236 7.626 16.374 1.00 0.00 C ATOM 717 CD ARG A 47 7.953 7.957 17.140 1.00 0.00 C ATOM 718 NE ARG A 47 8.088 7.545 18.555 1.00 0.00 N ATOM 719 CZ ARG A 47 7.225 7.886 19.522 1.00 0.00 C ATOM 720 NH1 ARG A 47 6.160 8.646 19.232 1.00 0.00 N ATOM 721 NH2 ARG A 47 7.427 7.466 20.778 1.00 0.00 N ATOM 0 H ARG A 47 9.357 6.274 13.440 1.00 0.00 H new ATOM 0 HA ARG A 47 11.370 6.358 15.548 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.374 5.876 15.454 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.304 5.535 16.900 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.103 7.876 16.985 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.294 8.237 15.473 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.750 9.026 17.082 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.105 7.447 16.683 1.00 0.00 H new ATOM 0 HE ARG A 47 8.888 6.965 18.810 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.006 8.965 18.275 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.503 8.906 19.968 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.237 6.887 20.998 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.770 7.725 21.514 1.00 0.00 H new ATOM 735 N ILE A 48 9.997 3.621 14.332 1.00 0.00 N ATOM 736 CA ILE A 48 10.131 2.177 14.240 1.00 0.00 C ATOM 737 C ILE A 48 11.599 1.820 13.996 1.00 0.00 C ATOM 738 O ILE A 48 12.456 2.701 13.947 1.00 0.00 O ATOM 739 CB ILE A 48 9.178 1.616 13.184 1.00 0.00 C ATOM 740 CG1 ILE A 48 9.290 2.398 11.873 1.00 0.00 C ATOM 741 CG2 ILE A 48 7.741 1.577 13.707 1.00 0.00 C ATOM 742 CD1 ILE A 48 8.639 1.632 10.720 1.00 0.00 C ATOM 0 H ILE A 48 9.279 4.022 13.729 1.00 0.00 H new ATOM 0 HA ILE A 48 9.840 1.707 15.179 1.00 0.00 H new ATOM 0 HB ILE A 48 9.471 0.588 12.972 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.811 3.371 11.984 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.340 2.583 11.644 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.084 1.174 12.936 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.693 0.943 14.592 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.420 2.586 13.966 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.733 2.210 9.801 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.136 0.670 10.596 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.584 1.470 10.941 1.00 0.00 H new ATOM 754 N SER A 49 11.844 0.526 13.849 1.00 0.00 N ATOM 755 CA SER A 49 13.193 0.042 13.611 1.00 0.00 C ATOM 756 C SER A 49 13.264 -0.663 12.255 1.00 0.00 C ATOM 757 O SER A 49 12.266 -0.745 11.541 1.00 0.00 O ATOM 758 CB SER A 49 13.643 -0.905 14.725 1.00 0.00 C ATOM 759 OG SER A 49 14.593 -0.294 15.593 1.00 0.00 O ATOM 0 H SER A 49 11.131 -0.202 13.890 1.00 0.00 H new ATOM 0 HA SER A 49 13.867 0.898 13.604 1.00 0.00 H new ATOM 0 HB2 SER A 49 12.775 -1.223 15.303 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.079 -1.802 14.285 1.00 0.00 H new ATOM 0 HG SER A 49 14.854 -0.930 16.292 1.00 0.00 H new ATOM 765 N GLN A 50 14.454 -1.154 11.941 1.00 0.00 N ATOM 766 CA GLN A 50 14.668 -1.849 10.683 1.00 0.00 C ATOM 767 C GLN A 50 13.659 -2.988 10.527 1.00 0.00 C ATOM 768 O GLN A 50 12.959 -3.068 9.519 1.00 0.00 O ATOM 769 CB GLN A 50 16.103 -2.371 10.583 1.00 0.00 C ATOM 770 CG GLN A 50 16.360 -3.010 9.217 1.00 0.00 C ATOM 771 CD GLN A 50 16.101 -2.012 8.086 1.00 0.00 C ATOM 772 OE1 GLN A 50 14.836 -1.975 7.677 1.00 0.00 O flip ATOM 773 NE2 GLN A 50 16.990 -1.321 7.617 1.00 0.00 N flip ATOM 0 H GLN A 50 15.280 -1.084 12.536 1.00 0.00 H new ATOM 0 HA GLN A 50 14.515 -1.141 9.869 1.00 0.00 H new ATOM 0 HB2 GLN A 50 16.804 -1.552 10.743 1.00 0.00 H new ATOM 0 HB3 GLN A 50 16.283 -3.103 11.370 1.00 0.00 H new ATOM 0 HG2 GLN A 50 17.390 -3.364 9.165 1.00 0.00 H new ATOM 0 HG3 GLN A 50 15.717 -3.881 9.092 1.00 0.00 H new ATOM 0 HE21 GLN A 50 17.941 -1.399 7.978 1.00 0.00 H new ATOM 0 HE22 GLN A 50 16.783 -0.665 6.864 1.00 0.00 H new ATOM 782 N SER A 51 13.615 -3.840 11.540 1.00 0.00 N ATOM 783 CA SER A 51 12.703 -4.971 11.528 1.00 0.00 C ATOM 784 C SER A 51 11.361 -4.555 10.922 1.00 0.00 C ATOM 785 O SER A 51 10.836 -5.234 10.041 1.00 0.00 O ATOM 786 CB SER A 51 12.498 -5.529 12.938 1.00 0.00 C ATOM 787 OG SER A 51 11.822 -6.783 12.923 1.00 0.00 O ATOM 0 H SER A 51 14.196 -3.770 12.375 1.00 0.00 H new ATOM 0 HA SER A 51 13.143 -5.758 10.915 1.00 0.00 H new ATOM 0 HB2 SER A 51 13.466 -5.645 13.426 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.925 -4.816 13.530 1.00 0.00 H new ATOM 0 HG SER A 51 11.712 -7.106 13.842 1.00 0.00 H new ATOM 793 N GLN A 52 10.845 -3.440 11.419 1.00 0.00 N ATOM 794 CA GLN A 52 9.574 -2.925 10.938 1.00 0.00 C ATOM 795 C GLN A 52 9.684 -2.534 9.463 1.00 0.00 C ATOM 796 O GLN A 52 9.048 -3.145 8.605 1.00 0.00 O ATOM 797 CB GLN A 52 9.106 -1.740 11.786 1.00 0.00 C ATOM 798 CG GLN A 52 8.896 -2.158 13.243 1.00 0.00 C ATOM 799 CD GLN A 52 7.410 -2.355 13.548 1.00 0.00 C ATOM 800 OE1 GLN A 52 6.766 -1.534 14.181 1.00 0.00 O ATOM 801 NE2 GLN A 52 6.903 -3.485 13.065 1.00 0.00 N ATOM 0 H GLN A 52 11.284 -2.879 12.149 1.00 0.00 H new ATOM 0 HA GLN A 52 8.827 -3.713 11.030 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.843 -0.939 11.736 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.176 -1.343 11.380 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.437 -3.083 13.441 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.309 -1.398 13.906 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.498 -4.129 12.544 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.919 -3.708 13.216 1.00 0.00 H new ATOM 810 N LYS A 53 10.496 -1.517 9.212 1.00 0.00 N ATOM 811 CA LYS A 53 10.698 -1.037 7.856 1.00 0.00 C ATOM 812 C LYS A 53 10.879 -2.232 6.918 1.00 0.00 C ATOM 813 O LYS A 53 10.245 -2.302 5.866 1.00 0.00 O ATOM 814 CB LYS A 53 11.855 -0.037 7.808 1.00 0.00 C ATOM 815 CG LYS A 53 11.536 1.211 8.634 1.00 0.00 C ATOM 816 CD LYS A 53 12.797 2.039 8.887 1.00 0.00 C ATOM 817 CE LYS A 53 12.445 3.417 9.448 1.00 0.00 C ATOM 818 NZ LYS A 53 12.797 3.498 10.884 1.00 0.00 N ATOM 0 H LYS A 53 11.022 -1.012 9.926 1.00 0.00 H new ATOM 0 HA LYS A 53 9.820 -0.490 7.511 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.762 -0.507 8.188 1.00 0.00 H new ATOM 0 HB3 LYS A 53 12.052 0.247 6.774 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.797 1.818 8.111 1.00 0.00 H new ATOM 0 HG3 LYS A 53 11.092 0.918 9.585 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.447 1.513 9.586 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.354 2.153 7.957 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.978 4.189 8.893 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.380 3.608 9.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.079 4.059 11.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.832 2.540 11.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.727 3.952 10.988 1.00 0.00 H new ATOM 832 N GLU A 54 11.747 -3.143 7.333 1.00 0.00 N ATOM 833 CA GLU A 54 12.019 -4.332 6.544 1.00 0.00 C ATOM 834 C GLU A 54 10.747 -5.166 6.384 1.00 0.00 C ATOM 835 O GLU A 54 10.271 -5.372 5.269 1.00 0.00 O ATOM 836 CB GLU A 54 13.143 -5.160 7.169 1.00 0.00 C ATOM 837 CG GLU A 54 14.486 -4.853 6.504 1.00 0.00 C ATOM 838 CD GLU A 54 14.854 -5.935 5.486 1.00 0.00 C ATOM 839 OE1 GLU A 54 14.289 -5.883 4.373 1.00 0.00 O ATOM 840 OE2 GLU A 54 15.693 -6.790 5.845 1.00 0.00 O ATOM 0 H GLU A 54 12.271 -3.081 8.206 1.00 0.00 H new ATOM 0 HA GLU A 54 12.351 -4.019 5.554 1.00 0.00 H new ATOM 0 HB2 GLU A 54 13.205 -4.948 8.236 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.917 -6.221 7.067 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.437 -3.884 6.008 1.00 0.00 H new ATOM 0 HG3 GLU A 54 15.265 -4.783 7.264 1.00 0.00 H new ATOM 847 N HIS A 55 10.232 -5.624 7.516 1.00 0.00 N ATOM 848 CA HIS A 55 9.024 -6.432 7.516 1.00 0.00 C ATOM 849 C HIS A 55 7.969 -5.776 6.623 1.00 0.00 C ATOM 850 O HIS A 55 7.607 -6.320 5.581 1.00 0.00 O ATOM 851 CB HIS A 55 8.529 -6.669 8.944 1.00 0.00 C ATOM 852 CG HIS A 55 7.311 -7.557 9.032 1.00 0.00 C ATOM 853 ND1 HIS A 55 7.286 -8.846 8.530 1.00 0.00 N ATOM 854 CD2 HIS A 55 6.079 -7.329 9.570 1.00 0.00 C ATOM 855 CE1 HIS A 55 6.087 -9.361 8.760 1.00 0.00 C ATOM 856 NE2 HIS A 55 5.340 -8.419 9.404 1.00 0.00 N ATOM 0 H HIS A 55 10.629 -5.451 8.439 1.00 0.00 H new ATOM 0 HA HIS A 55 9.240 -7.417 7.101 1.00 0.00 H new ATOM 0 HB2 HIS A 55 9.334 -7.115 9.527 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.299 -5.707 9.402 1.00 0.00 H new ATOM 0 HD2 HIS A 55 5.759 -6.416 10.050 1.00 0.00 H new ATOM 0 HE1 HIS A 55 5.759 -10.353 8.486 1.00 0.00 H new ATOM 0 HE2 HIS A 55 4.373 -8.533 9.708 1.00 0.00 H new ATOM 864 N TYR A 56 7.505 -4.616 7.065 1.00 0.00 N ATOM 865 CA TYR A 56 6.498 -3.880 6.319 1.00 0.00 C ATOM 866 C TYR A 56 6.845 -3.831 4.830 1.00 0.00 C ATOM 867 O TYR A 56 5.983 -4.049 3.980 1.00 0.00 O ATOM 868 CB TYR A 56 6.513 -2.458 6.881 1.00 0.00 C ATOM 869 CG TYR A 56 5.672 -2.280 8.147 1.00 0.00 C ATOM 870 CD1 TYR A 56 4.311 -2.501 8.108 1.00 0.00 C ATOM 871 CD2 TYR A 56 6.276 -1.898 9.328 1.00 0.00 C ATOM 872 CE1 TYR A 56 3.519 -2.334 9.300 1.00 0.00 C ATOM 873 CE2 TYR A 56 5.485 -1.731 10.520 1.00 0.00 C ATOM 874 CZ TYR A 56 4.146 -1.957 10.447 1.00 0.00 C ATOM 875 OH TYR A 56 3.399 -1.799 11.572 1.00 0.00 O ATOM 0 H TYR A 56 7.808 -4.168 7.930 1.00 0.00 H new ATOM 0 HA TYR A 56 5.523 -4.358 6.416 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.543 -2.175 7.099 1.00 0.00 H new ATOM 0 HB3 TYR A 56 6.149 -1.772 6.116 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.839 -2.799 7.184 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.342 -1.724 9.358 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.453 -2.504 9.283 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.945 -1.433 11.451 1.00 0.00 H new ATOM 0 HH TYR A 56 3.979 -1.529 12.314 1.00 0.00 H new ATOM 885 N LYS A 57 8.110 -3.544 4.559 1.00 0.00 N ATOM 886 CA LYS A 57 8.582 -3.464 3.187 1.00 0.00 C ATOM 887 C LYS A 57 8.320 -4.796 2.483 1.00 0.00 C ATOM 888 O LYS A 57 7.987 -4.822 1.299 1.00 0.00 O ATOM 889 CB LYS A 57 10.048 -3.027 3.150 1.00 0.00 C ATOM 890 CG LYS A 57 10.573 -2.991 1.714 1.00 0.00 C ATOM 891 CD LYS A 57 11.926 -2.279 1.642 1.00 0.00 C ATOM 892 CE LYS A 57 11.761 -0.769 1.825 1.00 0.00 C ATOM 893 NZ LYS A 57 12.666 -0.034 0.913 1.00 0.00 N ATOM 0 H LYS A 57 8.823 -3.364 5.266 1.00 0.00 H new ATOM 0 HA LYS A 57 8.031 -2.700 2.639 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.149 -2.041 3.603 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.651 -3.713 3.744 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.672 -4.008 1.334 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.855 -2.480 1.073 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.589 -2.672 2.412 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.398 -2.483 0.681 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.727 -0.484 1.629 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.976 -0.496 2.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.541 0.989 1.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.652 -0.293 1.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.442 -0.281 -0.072 1.00 0.00 H new ATOM 907 N LYS A 58 8.479 -5.871 3.241 1.00 0.00 N ATOM 908 CA LYS A 58 8.264 -7.204 2.705 1.00 0.00 C ATOM 909 C LYS A 58 6.769 -7.411 2.450 1.00 0.00 C ATOM 910 O LYS A 58 6.373 -7.823 1.360 1.00 0.00 O ATOM 911 CB LYS A 58 8.882 -8.259 3.625 1.00 0.00 C ATOM 912 CG LYS A 58 8.320 -9.649 3.321 1.00 0.00 C ATOM 913 CD LYS A 58 7.155 -9.986 4.253 1.00 0.00 C ATOM 914 CE LYS A 58 7.608 -9.996 5.715 1.00 0.00 C ATOM 915 NZ LYS A 58 7.474 -11.353 6.290 1.00 0.00 N ATOM 0 H LYS A 58 8.754 -5.846 4.223 1.00 0.00 H new ATOM 0 HA LYS A 58 8.771 -7.315 1.746 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.965 -8.266 3.501 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.682 -8.002 4.665 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.985 -9.691 2.285 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.107 -10.395 3.432 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.356 -9.256 4.121 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.744 -10.960 3.989 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.645 -9.667 5.783 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.011 -9.290 6.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.786 -11.342 7.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.479 -11.653 6.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.063 -12.019 5.750 1.00 0.00 H new ATOM 929 N LEU A 59 5.980 -7.115 3.472 1.00 0.00 N ATOM 930 CA LEU A 59 4.538 -7.264 3.372 1.00 0.00 C ATOM 931 C LEU A 59 4.049 -6.595 2.086 1.00 0.00 C ATOM 932 O LEU A 59 3.351 -7.217 1.286 1.00 0.00 O ATOM 933 CB LEU A 59 3.857 -6.737 4.636 1.00 0.00 C ATOM 934 CG LEU A 59 4.265 -7.409 5.949 1.00 0.00 C ATOM 935 CD1 LEU A 59 3.776 -6.602 7.153 1.00 0.00 C ATOM 936 CD2 LEU A 59 3.781 -8.859 5.996 1.00 0.00 C ATOM 0 H LEU A 59 6.312 -6.773 4.374 1.00 0.00 H new ATOM 0 HA LEU A 59 4.267 -8.318 3.307 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.064 -5.670 4.718 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.779 -6.845 4.516 1.00 0.00 H new ATOM 0 HG LEU A 59 5.354 -7.431 5.997 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.079 -7.101 8.073 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.211 -5.603 7.122 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.689 -6.526 7.123 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.084 -9.313 6.939 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.694 -8.883 5.914 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.219 -9.416 5.168 1.00 0.00 H new ATOM 948 N ALA A 60 4.435 -5.338 1.926 1.00 0.00 N ATOM 949 CA ALA A 60 4.045 -4.579 0.750 1.00 0.00 C ATOM 950 C ALA A 60 4.118 -5.483 -0.482 1.00 0.00 C ATOM 951 O ALA A 60 3.183 -5.526 -1.281 1.00 0.00 O ATOM 952 CB ALA A 60 4.938 -3.343 0.621 1.00 0.00 C ATOM 0 H ALA A 60 5.014 -4.826 2.591 1.00 0.00 H new ATOM 0 HA ALA A 60 3.017 -4.230 0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.646 -2.773 -0.261 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.827 -2.720 1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.978 -3.654 0.524 1.00 0.00 H new ATOM 958 N GLU A 61 5.237 -6.182 -0.599 1.00 0.00 N ATOM 959 CA GLU A 61 5.444 -7.082 -1.721 1.00 0.00 C ATOM 960 C GLU A 61 4.276 -8.062 -1.837 1.00 0.00 C ATOM 961 O GLU A 61 3.713 -8.237 -2.917 1.00 0.00 O ATOM 962 CB GLU A 61 6.774 -7.827 -1.588 1.00 0.00 C ATOM 963 CG GLU A 61 7.890 -6.881 -1.139 1.00 0.00 C ATOM 964 CD GLU A 61 9.241 -7.317 -1.711 1.00 0.00 C ATOM 965 OE1 GLU A 61 9.269 -7.636 -2.919 1.00 0.00 O ATOM 966 OE2 GLU A 61 10.214 -7.320 -0.927 1.00 0.00 O ATOM 0 H GLU A 61 6.010 -6.143 0.065 1.00 0.00 H new ATOM 0 HA GLU A 61 5.487 -6.489 -2.635 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.670 -8.639 -0.869 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.039 -8.280 -2.544 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.664 -5.866 -1.464 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.941 -6.863 -0.050 1.00 0.00 H new ATOM 973 N GLU A 62 3.945 -8.676 -0.710 1.00 0.00 N ATOM 974 CA GLU A 62 2.854 -9.635 -0.672 1.00 0.00 C ATOM 975 C GLU A 62 1.600 -9.037 -1.313 1.00 0.00 C ATOM 976 O GLU A 62 1.056 -9.597 -2.264 1.00 0.00 O ATOM 977 CB GLU A 62 2.573 -10.089 0.761 1.00 0.00 C ATOM 978 CG GLU A 62 2.682 -11.611 0.885 1.00 0.00 C ATOM 979 CD GLU A 62 4.099 -12.087 0.558 1.00 0.00 C ATOM 980 OE1 GLU A 62 4.961 -11.962 1.455 1.00 0.00 O ATOM 981 OE2 GLU A 62 4.288 -12.565 -0.581 1.00 0.00 O ATOM 0 H GLU A 62 4.414 -8.528 0.184 1.00 0.00 H new ATOM 0 HA GLU A 62 3.148 -10.514 -1.246 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.279 -9.613 1.442 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.575 -9.767 1.060 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.416 -11.917 1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.970 -12.086 0.210 1.00 0.00 H new ATOM 988 N GLN A 63 1.177 -7.906 -0.767 1.00 0.00 N ATOM 989 CA GLN A 63 -0.003 -7.226 -1.274 1.00 0.00 C ATOM 990 C GLN A 63 -0.006 -7.236 -2.804 1.00 0.00 C ATOM 991 O GLN A 63 -1.039 -7.483 -3.424 1.00 0.00 O ATOM 992 CB GLN A 63 -0.085 -5.796 -0.735 1.00 0.00 C ATOM 993 CG GLN A 63 -1.334 -5.607 0.129 1.00 0.00 C ATOM 994 CD GLN A 63 -2.604 -5.678 -0.720 1.00 0.00 C ATOM 995 OE1 GLN A 63 -2.927 -6.692 -1.317 1.00 0.00 O ATOM 996 NE2 GLN A 63 -3.306 -4.548 -0.741 1.00 0.00 N ATOM 0 H GLN A 63 1.630 -7.444 0.021 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.885 -7.763 -0.925 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.805 -5.573 -0.147 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.103 -5.091 -1.566 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.366 -6.375 0.902 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.286 -4.644 0.638 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.980 -3.735 -0.219 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.171 -4.495 -1.279 1.00 0.00 H new ATOM 1005 N GLN A 64 1.162 -6.966 -3.368 1.00 0.00 N ATOM 1006 CA GLN A 64 1.307 -6.941 -4.813 1.00 0.00 C ATOM 1007 C GLN A 64 1.218 -8.359 -5.380 1.00 0.00 C ATOM 1008 O GLN A 64 0.662 -8.568 -6.458 1.00 0.00 O ATOM 1009 CB GLN A 64 2.620 -6.269 -5.221 1.00 0.00 C ATOM 1010 CG GLN A 64 2.655 -4.811 -4.761 1.00 0.00 C ATOM 1011 CD GLN A 64 3.965 -4.137 -5.174 1.00 0.00 C ATOM 1012 OE1 GLN A 64 4.135 -3.685 -6.294 1.00 0.00 O ATOM 1013 NE2 GLN A 64 4.880 -4.096 -4.209 1.00 0.00 N ATOM 0 H GLN A 64 2.017 -6.763 -2.850 1.00 0.00 H new ATOM 0 HA GLN A 64 0.490 -6.352 -5.230 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.460 -6.811 -4.787 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.735 -6.315 -6.304 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.812 -4.270 -5.191 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.544 -4.765 -3.678 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.673 -4.493 -3.293 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.788 -3.667 -4.386 1.00 0.00 H new ATOM 1022 N ARG A 65 1.774 -9.299 -4.629 1.00 0.00 N ATOM 1023 CA ARG A 65 1.764 -10.691 -5.043 1.00 0.00 C ATOM 1024 C ARG A 65 0.326 -11.177 -5.240 1.00 0.00 C ATOM 1025 O ARG A 65 0.022 -11.840 -6.230 1.00 0.00 O ATOM 1026 CB ARG A 65 2.457 -11.579 -4.006 1.00 0.00 C ATOM 1027 CG ARG A 65 1.722 -12.911 -3.847 1.00 0.00 C ATOM 1028 CD ARG A 65 2.489 -13.852 -2.916 1.00 0.00 C ATOM 1029 NE ARG A 65 1.634 -14.999 -2.538 1.00 0.00 N ATOM 1030 CZ ARG A 65 1.392 -16.050 -3.334 1.00 0.00 C ATOM 1031 NH1 ARG A 65 1.940 -16.106 -4.555 1.00 0.00 N ATOM 1032 NH2 ARG A 65 0.603 -17.046 -2.908 1.00 0.00 N ATOM 0 H ARG A 65 2.234 -9.123 -3.736 1.00 0.00 H new ATOM 0 HA ARG A 65 2.307 -10.760 -5.986 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.488 -11.762 -4.309 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.494 -11.063 -3.047 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.723 -12.734 -3.449 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.598 -13.381 -4.823 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.393 -14.209 -3.410 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.806 -13.314 -2.022 1.00 0.00 H new ATOM 0 HE ARG A 65 1.202 -14.989 -1.614 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.542 -15.349 -4.879 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.756 -16.906 -5.161 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.186 -17.004 -1.978 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.419 -17.846 -3.514 1.00 0.00 H new ATOM 1046 N GLN A 66 -0.519 -10.826 -4.282 1.00 0.00 N ATOM 1047 CA GLN A 66 -1.918 -11.217 -4.338 1.00 0.00 C ATOM 1048 C GLN A 66 -2.654 -10.404 -5.404 1.00 0.00 C ATOM 1049 O GLN A 66 -3.411 -10.958 -6.200 1.00 0.00 O ATOM 1050 CB GLN A 66 -2.586 -11.061 -2.971 1.00 0.00 C ATOM 1051 CG GLN A 66 -1.824 -11.840 -1.896 1.00 0.00 C ATOM 1052 CD GLN A 66 -1.366 -10.912 -0.768 1.00 0.00 C ATOM 1053 OE1 GLN A 66 -1.888 -9.827 -0.572 1.00 0.00 O ATOM 1054 NE2 GLN A 66 -0.365 -11.398 -0.041 1.00 0.00 N ATOM 0 H GLN A 66 -0.262 -10.275 -3.463 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.970 -12.271 -4.613 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.627 -10.006 -2.700 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.615 -11.417 -3.022 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.462 -12.625 -1.490 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.959 -12.331 -2.342 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.026 -12.314 -0.260 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.012 -10.855 0.735 1.00 0.00 H new ATOM 1063 N TYR A 67 -2.406 -9.103 -5.386 1.00 0.00 N ATOM 1064 CA TYR A 67 -3.036 -8.208 -6.342 1.00 0.00 C ATOM 1065 C TYR A 67 -2.920 -8.755 -7.765 1.00 0.00 C ATOM 1066 O TYR A 67 -3.910 -8.822 -8.492 1.00 0.00 O ATOM 1067 CB TYR A 67 -2.270 -6.887 -6.251 1.00 0.00 C ATOM 1068 CG TYR A 67 -2.799 -5.795 -7.183 1.00 0.00 C ATOM 1069 CD1 TYR A 67 -2.575 -5.879 -8.542 1.00 0.00 C ATOM 1070 CD2 TYR A 67 -3.501 -4.726 -6.664 1.00 0.00 C ATOM 1071 CE1 TYR A 67 -3.074 -4.851 -9.419 1.00 0.00 C ATOM 1072 CE2 TYR A 67 -4.000 -3.698 -7.541 1.00 0.00 C ATOM 1073 CZ TYR A 67 -3.761 -3.811 -8.875 1.00 0.00 C ATOM 1074 OH TYR A 67 -4.232 -2.840 -9.703 1.00 0.00 O ATOM 0 H TYR A 67 -1.778 -8.647 -4.725 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.096 -8.092 -6.118 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.311 -6.525 -5.224 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.221 -7.071 -6.482 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.026 -6.715 -8.948 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.676 -4.660 -5.600 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.906 -4.905 -10.485 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.551 -2.857 -7.148 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.704 -2.161 -9.176 1.00 0.00 H new ATOM 1084 N LYS A 68 -1.701 -9.133 -8.122 1.00 0.00 N ATOM 1085 CA LYS A 68 -1.441 -9.673 -9.446 1.00 0.00 C ATOM 1086 C LYS A 68 -2.314 -10.910 -9.667 1.00 0.00 C ATOM 1087 O LYS A 68 -2.627 -11.258 -10.805 1.00 0.00 O ATOM 1088 CB LYS A 68 0.054 -9.933 -9.635 1.00 0.00 C ATOM 1089 CG LYS A 68 0.393 -10.137 -11.113 1.00 0.00 C ATOM 1090 CD LYS A 68 0.898 -11.559 -11.368 1.00 0.00 C ATOM 1091 CE LYS A 68 1.652 -11.642 -12.697 1.00 0.00 C ATOM 1092 NZ LYS A 68 3.110 -11.734 -12.460 1.00 0.00 N ATOM 0 H LYS A 68 -0.882 -9.076 -7.517 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.713 -8.949 -10.213 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.626 -9.093 -9.240 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.348 -10.815 -9.066 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.490 -9.946 -11.722 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.152 -9.417 -11.418 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.554 -11.868 -10.554 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.056 -12.251 -11.379 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.313 -12.512 -13.260 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.431 -10.764 -13.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.607 -11.790 -13.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.431 -10.892 -11.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.318 -12.585 -11.900 1.00 0.00 H new ATOM 1106 N VAL A 69 -2.682 -11.541 -8.562 1.00 0.00 N ATOM 1107 CA VAL A 69 -3.512 -12.732 -8.621 1.00 0.00 C ATOM 1108 C VAL A 69 -4.986 -12.321 -8.638 1.00 0.00 C ATOM 1109 O VAL A 69 -5.761 -12.809 -9.459 1.00 0.00 O ATOM 1110 CB VAL A 69 -3.166 -13.669 -7.462 1.00 0.00 C ATOM 1111 CG1 VAL A 69 -4.366 -14.540 -7.084 1.00 0.00 C ATOM 1112 CG2 VAL A 69 -1.948 -14.531 -7.800 1.00 0.00 C ATOM 0 H VAL A 69 -2.420 -11.250 -7.620 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.319 -13.287 -9.539 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.913 -13.055 -6.598 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.093 -15.197 -6.258 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.197 -13.903 -6.782 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.664 -15.142 -7.943 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.723 -15.188 -6.960 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.162 -15.132 -8.684 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.090 -13.888 -7.997 1.00 0.00 H new ATOM 1122 N HIS A 70 -5.328 -11.428 -7.721 1.00 0.00 N ATOM 1123 CA HIS A 70 -6.695 -10.946 -7.620 1.00 0.00 C ATOM 1124 C HIS A 70 -7.247 -10.670 -9.020 1.00 0.00 C ATOM 1125 O HIS A 70 -8.350 -11.101 -9.352 1.00 0.00 O ATOM 1126 CB HIS A 70 -6.774 -9.725 -6.700 1.00 0.00 C ATOM 1127 CG HIS A 70 -6.494 -10.031 -5.248 1.00 0.00 C ATOM 1128 ND1 HIS A 70 -6.844 -9.173 -4.220 1.00 0.00 N ATOM 1129 CD2 HIS A 70 -5.895 -11.108 -4.664 1.00 0.00 C ATOM 1130 CE1 HIS A 70 -6.468 -9.719 -3.073 1.00 0.00 C ATOM 1131 NE2 HIS A 70 -5.879 -10.918 -3.350 1.00 0.00 N ATOM 0 H HIS A 70 -4.682 -11.026 -7.041 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.322 -11.713 -7.165 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.063 -8.975 -7.046 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.767 -9.284 -6.783 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -7.312 -8.273 -4.327 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.501 -11.969 -5.182 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.604 -9.290 -2.091 1.00 0.00 H new ATOM 1139 N LEU A 71 -6.454 -9.953 -9.803 1.00 0.00 N ATOM 1140 CA LEU A 71 -6.850 -9.615 -11.159 1.00 0.00 C ATOM 1141 C LEU A 71 -7.421 -10.858 -11.844 1.00 0.00 C ATOM 1142 O LEU A 71 -8.607 -10.902 -12.169 1.00 0.00 O ATOM 1143 CB LEU A 71 -5.681 -8.979 -11.915 1.00 0.00 C ATOM 1144 CG LEU A 71 -5.321 -7.548 -11.511 1.00 0.00 C ATOM 1145 CD1 LEU A 71 -4.002 -7.113 -12.154 1.00 0.00 C ATOM 1146 CD2 LEU A 71 -6.463 -6.583 -11.835 1.00 0.00 C ATOM 0 H LEU A 71 -5.540 -9.597 -9.524 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.640 -8.864 -11.149 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.801 -9.607 -11.777 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.915 -8.987 -12.980 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.176 -7.523 -10.431 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.769 -6.092 -11.851 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.202 -7.779 -11.830 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.094 -7.157 -13.239 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.181 -5.573 -11.538 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.664 -6.603 -12.906 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.359 -6.884 -11.292 1.00 0.00 H new ATOM 1158 N ASP A 72 -6.551 -11.837 -12.044 1.00 0.00 N ATOM 1159 CA ASP A 72 -6.955 -13.077 -12.685 1.00 0.00 C ATOM 1160 C ASP A 72 -8.298 -13.530 -12.110 1.00 0.00 C ATOM 1161 O ASP A 72 -9.200 -13.910 -12.855 1.00 0.00 O ATOM 1162 CB ASP A 72 -5.933 -14.187 -12.429 1.00 0.00 C ATOM 1163 CG ASP A 72 -5.634 -15.081 -13.634 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -5.069 -14.545 -14.612 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -5.977 -16.280 -13.551 1.00 0.00 O ATOM 0 H ASP A 72 -5.568 -11.797 -11.774 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.029 -12.894 -13.757 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.001 -13.732 -12.093 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.295 -14.812 -11.613 1.00 0.00 H new ATOM 1170 N LEU A 73 -8.389 -13.475 -10.789 1.00 0.00 N ATOM 1171 CA LEU A 73 -9.607 -13.874 -10.105 1.00 0.00 C ATOM 1172 C LEU A 73 -10.755 -12.964 -10.544 1.00 0.00 C ATOM 1173 O LEU A 73 -11.868 -13.432 -10.780 1.00 0.00 O ATOM 1174 CB LEU A 73 -9.388 -13.901 -8.591 1.00 0.00 C ATOM 1175 CG LEU A 73 -8.124 -14.615 -8.109 1.00 0.00 C ATOM 1176 CD1 LEU A 73 -8.109 -14.734 -6.583 1.00 0.00 C ATOM 1177 CD2 LEU A 73 -7.970 -15.976 -8.791 1.00 0.00 C ATOM 0 H LEU A 73 -7.639 -13.160 -10.174 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.883 -14.892 -10.382 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.361 -12.873 -8.229 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.251 -14.379 -8.128 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.262 -14.012 -8.393 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.200 -15.245 -6.267 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.138 -13.738 -6.140 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.978 -15.303 -6.254 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.064 -16.463 -8.431 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.834 -16.599 -8.559 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.903 -15.837 -9.870 1.00 0.00 H new ATOM 1189 N TRP A 74 -10.446 -11.679 -10.641 1.00 0.00 N ATOM 1190 CA TRP A 74 -11.438 -10.699 -11.048 1.00 0.00 C ATOM 1191 C TRP A 74 -11.817 -10.985 -12.502 1.00 0.00 C ATOM 1192 O TRP A 74 -12.968 -10.800 -12.896 1.00 0.00 O ATOM 1193 CB TRP A 74 -10.922 -9.275 -10.833 1.00 0.00 C ATOM 1194 CG TRP A 74 -11.589 -8.230 -11.730 1.00 0.00 C ATOM 1195 CD1 TRP A 74 -12.728 -7.559 -11.510 1.00 0.00 C ATOM 1196 CD2 TRP A 74 -11.107 -7.759 -13.007 1.00 0.00 C ATOM 1197 NE1 TRP A 74 -13.015 -6.695 -12.547 1.00 0.00 N ATOM 1198 CE2 TRP A 74 -11.997 -6.821 -13.486 1.00 0.00 C ATOM 1199 CE3 TRP A 74 -9.956 -8.115 -13.732 1.00 0.00 C ATOM 1200 CZ2 TRP A 74 -11.830 -6.160 -14.709 1.00 0.00 C ATOM 1201 CZ3 TRP A 74 -9.804 -7.446 -14.952 1.00 0.00 C ATOM 1202 CH2 TRP A 74 -10.691 -6.499 -15.449 1.00 0.00 C ATOM 0 H TRP A 74 -9.522 -11.294 -10.445 1.00 0.00 H new ATOM 0 HA TRP A 74 -12.334 -10.779 -10.433 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -11.077 -8.997 -9.791 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -9.847 -9.258 -11.011 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -13.344 -7.679 -10.631 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -13.824 -6.078 -12.613 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -9.246 -8.846 -13.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -12.541 -5.428 -15.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -8.936 -7.683 -15.549 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -10.503 -6.027 -16.402 1.00 0.00 H new ATOM 1213 N VAL A 75 -10.827 -11.432 -13.261 1.00 0.00 N ATOM 1214 CA VAL A 75 -11.042 -11.745 -14.663 1.00 0.00 C ATOM 1215 C VAL A 75 -12.041 -12.898 -14.777 1.00 0.00 C ATOM 1216 O VAL A 75 -13.040 -12.790 -15.486 1.00 0.00 O ATOM 1217 CB VAL A 75 -9.704 -12.044 -15.344 1.00 0.00 C ATOM 1218 CG1 VAL A 75 -9.919 -12.645 -16.734 1.00 0.00 C ATOM 1219 CG2 VAL A 75 -8.833 -10.788 -15.417 1.00 0.00 C ATOM 0 H VAL A 75 -9.874 -11.585 -12.931 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.473 -10.889 -15.183 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.177 -12.781 -14.739 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.953 -12.848 -17.196 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -10.481 -13.575 -16.645 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.476 -11.941 -17.352 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.888 -11.028 -15.905 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.352 -10.018 -15.989 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.638 -10.422 -14.409 1.00 0.00 H new ATOM 1229 N LYS A 76 -11.737 -13.975 -14.067 1.00 0.00 N ATOM 1230 CA LYS A 76 -12.596 -15.146 -14.079 1.00 0.00 C ATOM 1231 C LYS A 76 -14.039 -14.718 -13.804 1.00 0.00 C ATOM 1232 O LYS A 76 -14.979 -15.422 -14.170 1.00 0.00 O ATOM 1233 CB LYS A 76 -12.072 -16.204 -13.106 1.00 0.00 C ATOM 1234 CG LYS A 76 -10.670 -16.670 -13.504 1.00 0.00 C ATOM 1235 CD LYS A 76 -9.949 -17.315 -12.319 1.00 0.00 C ATOM 1236 CE LYS A 76 -10.651 -18.604 -11.886 1.00 0.00 C ATOM 1237 NZ LYS A 76 -10.784 -18.652 -10.413 1.00 0.00 N ATOM 0 H LYS A 76 -10.907 -14.061 -13.480 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.585 -15.617 -15.062 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.050 -15.795 -12.096 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.751 -17.056 -13.090 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.740 -17.384 -14.324 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.091 -15.822 -13.869 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.916 -17.533 -12.592 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.917 -16.616 -11.484 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.637 -18.661 -12.348 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.085 -19.468 -12.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.262 -19.533 -10.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.840 -18.619 -9.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.343 -17.838 -10.088 1.00 0.00 H new ATOM 1251 N SER A 77 -14.169 -13.566 -13.162 1.00 0.00 N ATOM 1252 CA SER A 77 -15.481 -13.036 -12.834 1.00 0.00 C ATOM 1253 C SER A 77 -16.019 -12.211 -14.004 1.00 0.00 C ATOM 1254 O SER A 77 -17.229 -12.150 -14.221 1.00 0.00 O ATOM 1255 CB SER A 77 -15.429 -12.185 -11.563 1.00 0.00 C ATOM 1256 OG SER A 77 -15.814 -12.926 -10.408 1.00 0.00 O ATOM 0 H SER A 77 -13.387 -12.985 -12.860 1.00 0.00 H new ATOM 0 HA SER A 77 -16.153 -13.874 -12.650 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.419 -11.799 -11.426 1.00 0.00 H new ATOM 0 HB3 SER A 77 -16.087 -11.323 -11.677 1.00 0.00 H new ATOM 0 HG SER A 77 -15.766 -12.348 -9.618 1.00 0.00 H new ATOM 1262 N LEU A 78 -15.096 -11.596 -14.728 1.00 0.00 N ATOM 1263 CA LEU A 78 -15.462 -10.777 -15.870 1.00 0.00 C ATOM 1264 C LEU A 78 -16.356 -11.590 -16.809 1.00 0.00 C ATOM 1265 O LEU A 78 -16.039 -12.732 -17.140 1.00 0.00 O ATOM 1266 CB LEU A 78 -14.213 -10.211 -16.547 1.00 0.00 C ATOM 1267 CG LEU A 78 -13.487 -9.096 -15.792 1.00 0.00 C ATOM 1268 CD1 LEU A 78 -12.384 -8.477 -16.653 1.00 0.00 C ATOM 1269 CD2 LEU A 78 -14.475 -8.045 -15.284 1.00 0.00 C ATOM 0 H LEU A 78 -14.094 -11.649 -14.545 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.041 -9.911 -15.548 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.511 -11.028 -16.711 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.496 -9.833 -17.529 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.005 -9.534 -14.918 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.884 -7.687 -16.092 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.659 -9.245 -16.923 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.822 -8.057 -17.559 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -13.933 -7.264 -14.751 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.006 -7.606 -16.129 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -15.191 -8.515 -14.610 1.00 0.00 H new ATOM 1281 N SER A 79 -17.455 -10.970 -17.213 1.00 0.00 N ATOM 1282 CA SER A 79 -18.396 -11.622 -18.107 1.00 0.00 C ATOM 1283 C SER A 79 -17.696 -12.013 -19.410 1.00 0.00 C ATOM 1284 O SER A 79 -16.507 -11.748 -19.583 1.00 0.00 O ATOM 1285 CB SER A 79 -19.595 -10.717 -18.400 1.00 0.00 C ATOM 1286 OG SER A 79 -20.832 -11.353 -18.090 1.00 0.00 O ATOM 0 H SER A 79 -17.715 -10.023 -16.937 1.00 0.00 H new ATOM 0 HA SER A 79 -18.765 -12.522 -17.616 1.00 0.00 H new ATOM 0 HB2 SER A 79 -19.505 -9.798 -17.822 1.00 0.00 H new ATOM 0 HB3 SER A 79 -19.587 -10.434 -19.452 1.00 0.00 H new ATOM 0 HG SER A 79 -21.573 -10.743 -18.289 1.00 0.00 H new ATOM 1292 N PRO A 80 -18.482 -12.654 -20.316 1.00 0.00 N ATOM 1293 CA PRO A 80 -17.950 -13.084 -21.598 1.00 0.00 C ATOM 1294 C PRO A 80 -17.769 -11.895 -22.543 1.00 0.00 C ATOM 1295 O PRO A 80 -17.073 -11.999 -23.552 1.00 0.00 O ATOM 1296 CB PRO A 80 -18.947 -14.108 -22.114 1.00 0.00 C ATOM 1297 CG PRO A 80 -20.229 -13.873 -21.331 1.00 0.00 C ATOM 1298 CD PRO A 80 -19.894 -12.984 -20.145 1.00 0.00 C ATOM 0 HA PRO A 80 -16.956 -13.523 -21.515 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -19.115 -13.985 -23.184 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -18.578 -15.123 -21.964 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -20.981 -13.400 -21.963 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -20.648 -14.820 -20.992 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -20.512 -12.086 -20.136 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -20.068 -13.501 -19.201 1.00 0.00 H new ATOM 1306 N GLN A 81 -18.409 -10.791 -22.184 1.00 0.00 N ATOM 1307 CA GLN A 81 -18.328 -9.584 -22.988 1.00 0.00 C ATOM 1308 C GLN A 81 -17.216 -8.672 -22.465 1.00 0.00 C ATOM 1309 O GLN A 81 -16.457 -8.101 -23.247 1.00 0.00 O ATOM 1310 CB GLN A 81 -19.671 -8.851 -23.014 1.00 0.00 C ATOM 1311 CG GLN A 81 -20.768 -9.739 -23.603 1.00 0.00 C ATOM 1312 CD GLN A 81 -22.098 -9.520 -22.879 1.00 0.00 C ATOM 1313 OE1 GLN A 81 -22.156 -9.008 -21.773 1.00 0.00 O ATOM 1314 NE2 GLN A 81 -23.161 -9.936 -23.563 1.00 0.00 N ATOM 0 H GLN A 81 -18.986 -10.708 -21.347 1.00 0.00 H new ATOM 0 HA GLN A 81 -18.087 -9.869 -24.012 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -19.945 -8.551 -22.003 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -19.580 -7.939 -23.604 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -20.887 -9.520 -24.664 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -20.475 -10.786 -23.524 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -23.042 -10.356 -24.485 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -24.095 -9.835 -23.166 1.00 0.00 H new ATOM 1323 N ASP A 82 -17.154 -8.563 -21.146 1.00 0.00 N ATOM 1324 CA ASP A 82 -16.148 -7.731 -20.509 1.00 0.00 C ATOM 1325 C ASP A 82 -14.762 -8.325 -20.768 1.00 0.00 C ATOM 1326 O ASP A 82 -13.898 -7.667 -21.346 1.00 0.00 O ATOM 1327 CB ASP A 82 -16.361 -7.669 -18.996 1.00 0.00 C ATOM 1328 CG ASP A 82 -17.510 -6.767 -18.540 1.00 0.00 C ATOM 1329 OD1 ASP A 82 -18.645 -7.019 -18.998 1.00 0.00 O ATOM 1330 OD2 ASP A 82 -17.226 -5.845 -17.745 1.00 0.00 O ATOM 0 H ASP A 82 -17.785 -9.038 -20.501 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.229 -6.727 -20.925 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.544 -8.679 -18.629 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.439 -7.322 -18.529 1.00 0.00 H new ATOM 1335 N ARG A 83 -14.593 -9.563 -20.327 1.00 0.00 N ATOM 1336 CA ARG A 83 -13.327 -10.254 -20.504 1.00 0.00 C ATOM 1337 C ARG A 83 -12.865 -10.152 -21.959 1.00 0.00 C ATOM 1338 O ARG A 83 -11.712 -9.815 -22.226 1.00 0.00 O ATOM 1339 CB ARG A 83 -13.445 -11.729 -20.116 1.00 0.00 C ATOM 1340 CG ARG A 83 -12.173 -12.217 -19.420 1.00 0.00 C ATOM 1341 CD ARG A 83 -12.462 -13.434 -18.539 1.00 0.00 C ATOM 1342 NE ARG A 83 -11.635 -14.582 -18.973 1.00 0.00 N ATOM 1343 CZ ARG A 83 -11.849 -15.849 -18.593 1.00 0.00 C ATOM 1344 NH1 ARG A 83 -12.865 -16.138 -17.770 1.00 0.00 N ATOM 1345 NH2 ARG A 83 -11.046 -16.826 -19.037 1.00 0.00 N ATOM 0 H ARG A 83 -15.312 -10.105 -19.848 1.00 0.00 H new ATOM 0 HA ARG A 83 -12.595 -9.776 -19.852 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.301 -11.867 -19.456 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.629 -12.329 -21.007 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.422 -12.474 -20.167 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.756 -11.414 -18.812 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.251 -13.197 -17.496 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -13.519 -13.694 -18.599 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.853 -14.397 -19.601 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.476 -15.394 -17.433 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.028 -17.102 -17.480 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.272 -16.605 -19.664 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.209 -17.791 -18.748 1.00 0.00 H new ATOM 1359 N ALA A 84 -13.788 -10.448 -22.862 1.00 0.00 N ATOM 1360 CA ALA A 84 -13.490 -10.394 -24.283 1.00 0.00 C ATOM 1361 C ALA A 84 -12.719 -9.108 -24.589 1.00 0.00 C ATOM 1362 O ALA A 84 -11.921 -9.066 -25.524 1.00 0.00 O ATOM 1363 CB ALA A 84 -14.790 -10.498 -25.082 1.00 0.00 C ATOM 0 H ALA A 84 -14.743 -10.726 -22.637 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.860 -11.234 -24.575 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -14.566 -10.457 -26.148 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -15.285 -11.441 -24.851 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -15.447 -9.669 -24.817 1.00 0.00 H new ATOM 1369 N ALA A 85 -12.985 -8.090 -23.783 1.00 0.00 N ATOM 1370 CA ALA A 85 -12.327 -6.807 -23.956 1.00 0.00 C ATOM 1371 C ALA A 85 -10.965 -6.839 -23.259 1.00 0.00 C ATOM 1372 O ALA A 85 -9.955 -6.451 -23.845 1.00 0.00 O ATOM 1373 CB ALA A 85 -13.230 -5.693 -23.421 1.00 0.00 C ATOM 0 H ALA A 85 -13.648 -8.128 -23.008 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.152 -6.605 -25.013 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -12.736 -4.730 -23.551 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -14.172 -5.694 -23.969 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.426 -5.860 -22.362 1.00 0.00 H new ATOM 1379 N TYR A 86 -10.982 -7.304 -22.019 1.00 0.00 N ATOM 1380 CA TYR A 86 -9.761 -7.392 -21.236 1.00 0.00 C ATOM 1381 C TYR A 86 -8.698 -8.215 -21.968 1.00 0.00 C ATOM 1382 O TYR A 86 -7.617 -7.712 -22.269 1.00 0.00 O ATOM 1383 CB TYR A 86 -10.141 -8.110 -19.940 1.00 0.00 C ATOM 1384 CG TYR A 86 -8.943 -8.535 -19.089 1.00 0.00 C ATOM 1385 CD1 TYR A 86 -8.301 -9.729 -19.348 1.00 0.00 C ATOM 1386 CD2 TYR A 86 -8.504 -7.724 -18.062 1.00 0.00 C ATOM 1387 CE1 TYR A 86 -7.174 -10.129 -18.547 1.00 0.00 C ATOM 1388 CE2 TYR A 86 -7.376 -8.124 -17.261 1.00 0.00 C ATOM 1389 CZ TYR A 86 -6.766 -9.306 -17.543 1.00 0.00 C ATOM 1390 OH TYR A 86 -5.701 -9.684 -16.786 1.00 0.00 O ATOM 0 H TYR A 86 -11.822 -7.624 -21.537 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.348 -6.399 -21.058 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -10.780 -7.455 -19.348 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.731 -8.993 -20.186 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.644 -10.363 -20.152 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.006 -6.790 -17.859 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -6.664 -11.061 -18.738 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.022 -7.499 -16.454 1.00 0.00 H new ATOM 0 HH TYR A 86 -5.522 -8.999 -16.108 1.00 0.00 H new ATOM 1400 N LYS A 87 -9.043 -9.466 -22.233 1.00 0.00 N ATOM 1401 CA LYS A 87 -8.133 -10.363 -22.923 1.00 0.00 C ATOM 1402 C LYS A 87 -7.723 -9.738 -24.258 1.00 0.00 C ATOM 1403 O LYS A 87 -6.567 -9.843 -24.668 1.00 0.00 O ATOM 1404 CB LYS A 87 -8.753 -11.755 -23.061 1.00 0.00 C ATOM 1405 CG LYS A 87 -7.972 -12.787 -22.245 1.00 0.00 C ATOM 1406 CD LYS A 87 -7.049 -13.612 -23.145 1.00 0.00 C ATOM 1407 CE LYS A 87 -7.306 -15.109 -22.968 1.00 0.00 C ATOM 1408 NZ LYS A 87 -6.711 -15.873 -24.088 1.00 0.00 N ATOM 0 H LYS A 87 -9.941 -9.880 -21.982 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.222 -10.502 -22.341 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.790 -11.730 -22.725 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.765 -12.049 -24.110 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.383 -12.281 -21.480 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.667 -13.448 -21.727 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.207 -13.333 -24.187 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.009 -13.387 -22.909 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.881 -15.448 -22.023 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.379 -15.297 -22.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.895 -16.888 -23.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.135 -15.561 -24.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.685 -15.707 -24.115 1.00 0.00 H new ATOM 1422 N GLU A 88 -8.692 -9.103 -24.900 1.00 0.00 N ATOM 1423 CA GLU A 88 -8.446 -8.461 -26.181 1.00 0.00 C ATOM 1424 C GLU A 88 -7.238 -7.528 -26.083 1.00 0.00 C ATOM 1425 O GLU A 88 -6.443 -7.435 -27.018 1.00 0.00 O ATOM 1426 CB GLU A 88 -9.686 -7.705 -26.662 1.00 0.00 C ATOM 1427 CG GLU A 88 -9.294 -6.496 -27.514 1.00 0.00 C ATOM 1428 CD GLU A 88 -10.373 -6.185 -28.553 1.00 0.00 C ATOM 1429 OE1 GLU A 88 -10.543 -7.025 -29.464 1.00 0.00 O ATOM 1430 OE2 GLU A 88 -11.003 -5.115 -28.414 1.00 0.00 O ATOM 0 H GLU A 88 -9.649 -9.019 -24.558 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.224 -9.234 -26.917 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.321 -8.373 -27.243 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.271 -7.375 -25.804 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.141 -5.628 -26.872 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.346 -6.692 -28.016 1.00 0.00 H new ATOM 1437 N TYR A 89 -7.137 -6.860 -24.943 1.00 0.00 N ATOM 1438 CA TYR A 89 -6.039 -5.937 -24.712 1.00 0.00 C ATOM 1439 C TYR A 89 -4.772 -6.686 -24.292 1.00 0.00 C ATOM 1440 O TYR A 89 -3.663 -6.276 -24.632 1.00 0.00 O ATOM 1441 CB TYR A 89 -6.485 -5.031 -23.563 1.00 0.00 C ATOM 1442 CG TYR A 89 -5.330 -4.429 -22.760 1.00 0.00 C ATOM 1443 CD1 TYR A 89 -4.672 -3.311 -23.229 1.00 0.00 C ATOM 1444 CD2 TYR A 89 -4.945 -5.006 -21.566 1.00 0.00 C ATOM 1445 CE1 TYR A 89 -3.584 -2.745 -22.473 1.00 0.00 C ATOM 1446 CE2 TYR A 89 -3.858 -4.440 -20.810 1.00 0.00 C ATOM 1447 CZ TYR A 89 -3.231 -3.337 -21.301 1.00 0.00 C ATOM 1448 OH TYR A 89 -2.204 -2.803 -20.587 1.00 0.00 O ATOM 0 H TYR A 89 -7.797 -6.940 -24.170 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.809 -5.379 -25.620 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.093 -4.222 -23.967 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.123 -5.603 -22.889 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.973 -2.860 -24.163 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.459 -5.882 -21.199 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.061 -1.870 -22.829 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -3.547 -4.881 -19.874 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.064 -3.329 -19.772 1.00 0.00 H new ATOM 1458 N ILE A 90 -4.979 -7.771 -23.561 1.00 0.00 N ATOM 1459 CA ILE A 90 -3.868 -8.581 -23.091 1.00 0.00 C ATOM 1460 C ILE A 90 -3.046 -9.055 -24.291 1.00 0.00 C ATOM 1461 O ILE A 90 -1.827 -8.888 -24.318 1.00 0.00 O ATOM 1462 CB ILE A 90 -4.373 -9.720 -22.203 1.00 0.00 C ATOM 1463 CG1 ILE A 90 -5.229 -9.182 -21.055 1.00 0.00 C ATOM 1464 CG2 ILE A 90 -3.211 -10.577 -21.698 1.00 0.00 C ATOM 1465 CD1 ILE A 90 -4.381 -8.942 -19.804 1.00 0.00 C ATOM 0 H ILE A 90 -5.900 -8.108 -23.282 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.203 -7.989 -22.462 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.012 -10.366 -22.806 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.707 -8.251 -21.359 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.026 -9.890 -20.828 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.597 -11.379 -21.069 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.679 -11.006 -22.547 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.528 -9.958 -21.117 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.014 -8.560 -19.003 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.924 -9.880 -19.489 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.600 -8.215 -20.028 1.00 0.00 H new