USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=18 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 18 LYS NZ :NH3+ 179:sc= 0.884 (180deg=0) USER MOD Set 1.2: A 63 GLN : amide:sc= -3.1! C(o=-2.2!,f=-17!) 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 -119:sc=-0.00969 (180deg=-0.132) USER MOD Single : A 14 ASN : amide:sc=-0.00959 X(o=-0.0096,f=-0.0014) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.528 F(o=-1.8,f=-0.53) USER MOD Single : A 20 SER OG : rot 72:sc= 0.522 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -4.03! C(o=-4.7!,f=-4!) USER MOD Single : A 30 ASN : amide:sc= -2.23! C(o=-2.2!,f=-4.8!) USER MOD Single : A 31 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-2.4) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -161:sc= -0.0884 (180deg=-0.89) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.168 K(o=-0.17,f=-2.1!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1 X(o=-1,f=-0.53) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.722 K(o=-0.72,f=-1.5) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -2.15! C(o=-2.2!,f=-3.3!) USER MOD Single : A 56 TYR OH : rot -122:sc= 0.852 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) 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 : no HD1:sc= -3.03 X(o=-3,f=-2.8!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -21:sc= 0.165 USER MOD Single : A 79 SER OG : rot 180:sc= 0.899 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.13) 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 -12.363 -5.830 -6.723 1.00 0.00 N ATOM 60 CA GLY A 7 -11.599 -7.000 -6.325 1.00 0.00 C ATOM 61 C GLY A 7 -10.298 -6.596 -5.630 1.00 0.00 C ATOM 62 O GLY A 7 -10.263 -6.442 -4.410 1.00 0.00 O ATOM 0 HA2 GLY A 7 -12.197 -7.618 -5.655 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.374 -7.607 -7.202 1.00 0.00 H new ATOM 66 N PRO A 8 -9.231 -6.431 -6.458 1.00 0.00 N ATOM 67 CA PRO A 8 -7.931 -6.047 -5.937 1.00 0.00 C ATOM 68 C PRO A 8 -7.908 -4.565 -5.556 1.00 0.00 C ATOM 69 O PRO A 8 -8.591 -3.751 -6.175 1.00 0.00 O ATOM 70 CB PRO A 8 -6.946 -6.391 -7.042 1.00 0.00 C ATOM 71 CG PRO A 8 -7.773 -6.520 -8.311 1.00 0.00 C ATOM 72 CD PRO A 8 -9.236 -6.605 -7.908 1.00 0.00 C ATOM 0 HA PRO A 8 -7.676 -6.572 -5.017 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.189 -5.614 -7.146 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.421 -7.320 -6.822 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.606 -5.663 -8.964 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.479 -7.409 -8.870 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.827 -5.831 -8.398 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.670 -7.564 -8.190 1.00 0.00 H new ATOM 80 N LYS A 9 -7.116 -4.261 -4.538 1.00 0.00 N ATOM 81 CA LYS A 9 -6.995 -2.891 -4.068 1.00 0.00 C ATOM 82 C LYS A 9 -5.574 -2.389 -4.332 1.00 0.00 C ATOM 83 O LYS A 9 -4.611 -3.142 -4.197 1.00 0.00 O ATOM 84 CB LYS A 9 -7.421 -2.789 -2.602 1.00 0.00 C ATOM 85 CG LYS A 9 -8.741 -2.027 -2.466 1.00 0.00 C ATOM 86 CD LYS A 9 -8.822 -1.308 -1.117 1.00 0.00 C ATOM 87 CE LYS A 9 -10.149 -0.561 -0.974 1.00 0.00 C ATOM 88 NZ LYS A 9 -11.211 -1.477 -0.500 1.00 0.00 N ATOM 0 H LYS A 9 -6.552 -4.939 -4.026 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.671 -2.238 -4.619 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.529 -3.788 -2.181 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.644 -2.283 -2.028 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.832 -1.302 -3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.577 -2.720 -2.564 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.719 -2.031 -0.308 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.993 -0.606 -1.024 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.034 0.266 -0.273 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.435 -0.128 -1.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.105 -0.954 -0.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.332 -2.252 -1.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.943 -1.870 0.425 1.00 0.00 H new ATOM 102 N LYS A 10 -5.489 -1.120 -4.703 1.00 0.00 N ATOM 103 CA LYS A 10 -4.202 -0.508 -4.988 1.00 0.00 C ATOM 104 C LYS A 10 -3.261 -0.737 -3.804 1.00 0.00 C ATOM 105 O LYS A 10 -3.437 -0.142 -2.742 1.00 0.00 O ATOM 106 CB LYS A 10 -4.380 0.966 -5.356 1.00 0.00 C ATOM 107 CG LYS A 10 -3.230 1.452 -6.242 1.00 0.00 C ATOM 108 CD LYS A 10 -3.756 2.011 -7.565 1.00 0.00 C ATOM 109 CE LYS A 10 -2.886 1.554 -8.738 1.00 0.00 C ATOM 110 NZ LYS A 10 -3.037 2.475 -9.886 1.00 0.00 N ATOM 0 H LYS A 10 -6.290 -0.499 -4.813 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.741 -0.976 -5.858 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.328 1.103 -5.876 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.425 1.568 -4.449 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.663 2.221 -5.718 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.544 0.628 -6.438 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.784 1.682 -7.720 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.773 3.100 -7.523 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.841 1.516 -8.430 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.168 0.544 -9.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.440 2.150 -10.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.032 2.491 -10.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.746 3.433 -9.603 1.00 0.00 H new ATOM 124 N PRO A 11 -2.256 -1.624 -4.032 1.00 0.00 N ATOM 125 CA PRO A 11 -1.286 -1.939 -2.996 1.00 0.00 C ATOM 126 C PRO A 11 -0.284 -0.797 -2.818 1.00 0.00 C ATOM 127 O PRO A 11 -0.234 0.122 -3.633 1.00 0.00 O ATOM 128 CB PRO A 11 -0.635 -3.236 -3.449 1.00 0.00 C ATOM 129 CG PRO A 11 -0.928 -3.353 -4.936 1.00 0.00 C ATOM 130 CD PRO A 11 -2.017 -2.349 -5.277 1.00 0.00 C ATOM 0 HA PRO A 11 -1.743 -2.060 -2.014 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.439 -3.220 -3.263 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.040 -4.088 -2.903 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.029 -3.154 -5.519 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.250 -4.364 -5.183 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.699 -1.675 -6.073 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.921 -2.848 -5.624 1.00 0.00 H new ATOM 138 N PRO A 12 0.509 -0.895 -1.718 1.00 0.00 N ATOM 139 CA PRO A 12 1.507 0.118 -1.422 1.00 0.00 C ATOM 140 C PRO A 12 2.717 -0.016 -2.349 1.00 0.00 C ATOM 141 O PRO A 12 2.711 -0.832 -3.269 1.00 0.00 O ATOM 142 CB PRO A 12 1.855 -0.088 0.043 1.00 0.00 C ATOM 143 CG PRO A 12 1.390 -1.494 0.388 1.00 0.00 C ATOM 144 CD PRO A 12 0.477 -1.970 -0.730 1.00 0.00 C ATOM 0 HA PRO A 12 1.141 1.131 -1.592 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.927 0.021 0.209 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.359 0.652 0.670 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.244 -2.163 0.495 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.861 -1.498 1.341 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.829 -2.910 -1.156 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.536 -2.144 -0.367 1.00 0.00 H new ATOM 152 N MET A 13 3.726 0.797 -2.073 1.00 0.00 N ATOM 153 CA MET A 13 4.941 0.779 -2.871 1.00 0.00 C ATOM 154 C MET A 13 6.161 0.458 -2.005 1.00 0.00 C ATOM 155 O MET A 13 7.022 -0.323 -2.405 1.00 0.00 O ATOM 156 CB MET A 13 5.133 2.141 -3.540 1.00 0.00 C ATOM 157 CG MET A 13 4.185 2.306 -4.730 1.00 0.00 C ATOM 158 SD MET A 13 5.059 1.988 -6.254 1.00 0.00 S ATOM 159 CE MET A 13 5.978 3.510 -6.408 1.00 0.00 C ATOM 0 H MET A 13 3.728 1.472 -1.308 1.00 0.00 H new ATOM 0 HA MET A 13 4.843 0.003 -3.630 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.954 2.935 -2.815 1.00 0.00 H new ATOM 0 HB3 MET A 13 6.165 2.243 -3.876 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.344 1.620 -4.633 1.00 0.00 H new ATOM 0 HG3 MET A 13 3.773 3.315 -4.741 1.00 0.00 H new ATOM 0 HE1 MET A 13 5.689 4.018 -7.328 1.00 0.00 H new ATOM 0 HE2 MET A 13 5.762 4.153 -5.555 1.00 0.00 H new ATOM 0 HE3 MET A 13 7.045 3.290 -6.435 1.00 0.00 H new ATOM 169 N ASN A 14 6.195 1.078 -0.835 1.00 0.00 N ATOM 170 CA ASN A 14 7.295 0.869 0.091 1.00 0.00 C ATOM 171 C ASN A 14 6.740 0.404 1.439 1.00 0.00 C ATOM 172 O ASN A 14 5.533 0.454 1.668 1.00 0.00 O ATOM 173 CB ASN A 14 8.074 2.165 0.323 1.00 0.00 C ATOM 174 CG ASN A 14 8.819 2.591 -0.944 1.00 0.00 C ATOM 175 OD1 ASN A 14 9.643 1.870 -1.482 1.00 0.00 O ATOM 176 ND2 ASN A 14 8.485 3.799 -1.388 1.00 0.00 N ATOM 0 H ASN A 14 5.478 1.725 -0.507 1.00 0.00 H new ATOM 0 HA ASN A 14 7.960 0.120 -0.340 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.389 2.955 0.630 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.785 2.026 1.138 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.927 4.174 -2.227 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.787 4.351 -0.889 1.00 0.00 H new ATOM 183 N GLY A 15 7.649 -0.039 2.296 1.00 0.00 N ATOM 184 CA GLY A 15 7.266 -0.513 3.615 1.00 0.00 C ATOM 185 C GLY A 15 6.598 0.601 4.425 1.00 0.00 C ATOM 186 O GLY A 15 5.806 0.329 5.326 1.00 0.00 O ATOM 0 H GLY A 15 8.650 -0.079 2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.583 -1.357 3.518 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.147 -0.875 4.145 1.00 0.00 H new ATOM 190 N TYR A 16 6.944 1.831 4.076 1.00 0.00 N ATOM 191 CA TYR A 16 6.388 2.987 4.759 1.00 0.00 C ATOM 192 C TYR A 16 4.897 3.140 4.453 1.00 0.00 C ATOM 193 O TYR A 16 4.057 2.966 5.335 1.00 0.00 O ATOM 194 CB TYR A 16 7.137 4.202 4.209 1.00 0.00 C ATOM 195 CG TYR A 16 6.666 5.538 4.788 1.00 0.00 C ATOM 196 CD1 TYR A 16 6.317 5.628 6.120 1.00 0.00 C ATOM 197 CD2 TYR A 16 6.589 6.652 3.977 1.00 0.00 C ATOM 198 CE1 TYR A 16 5.874 6.885 6.665 1.00 0.00 C ATOM 199 CE2 TYR A 16 6.145 7.909 4.522 1.00 0.00 C ATOM 200 CZ TYR A 16 5.809 7.964 5.839 1.00 0.00 C ATOM 201 OH TYR A 16 5.390 9.151 6.353 1.00 0.00 O ATOM 0 H TYR A 16 7.602 2.053 3.329 1.00 0.00 H new ATOM 0 HA TYR A 16 6.495 2.883 5.839 1.00 0.00 H new ATOM 0 HB2 TYR A 16 8.201 4.084 4.414 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.022 4.227 3.125 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.376 4.756 6.754 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.862 6.581 2.934 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.599 6.969 7.706 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.080 8.789 3.899 1.00 0.00 H new ATOM 0 HH TYR A 16 5.395 9.832 5.649 1.00 0.00 H new ATOM 211 N GLN A 17 4.613 3.465 3.200 1.00 0.00 N ATOM 212 CA GLN A 17 3.237 3.644 2.767 1.00 0.00 C ATOM 213 C GLN A 17 2.380 2.460 3.218 1.00 0.00 C ATOM 214 O GLN A 17 1.176 2.602 3.422 1.00 0.00 O ATOM 215 CB GLN A 17 3.160 3.831 1.251 1.00 0.00 C ATOM 216 CG GLN A 17 4.070 4.972 0.792 1.00 0.00 C ATOM 217 CD GLN A 17 3.777 5.357 -0.660 1.00 0.00 C ATOM 218 OE1 GLN A 17 3.639 4.317 -1.478 1.00 0.00 O flip ATOM 219 NE2 GLN A 17 3.683 6.520 -1.014 1.00 0.00 N flip ATOM 0 H GLN A 17 5.312 3.609 2.471 1.00 0.00 H new ATOM 0 HA GLN A 17 2.845 4.548 3.232 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.450 2.906 0.752 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.131 4.042 0.959 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.927 5.838 1.438 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.113 4.671 0.889 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.800 7.271 -0.334 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.487 6.742 -1.990 1.00 0.00 H new ATOM 228 N LYS A 18 3.036 1.317 3.361 1.00 0.00 N ATOM 229 CA LYS A 18 2.349 0.108 3.784 1.00 0.00 C ATOM 230 C LYS A 18 1.822 0.298 5.208 1.00 0.00 C ATOM 231 O LYS A 18 0.626 0.153 5.456 1.00 0.00 O ATOM 232 CB LYS A 18 3.260 -1.110 3.623 1.00 0.00 C ATOM 233 CG LYS A 18 2.652 -2.343 4.296 1.00 0.00 C ATOM 234 CD LYS A 18 2.244 -3.390 3.257 1.00 0.00 C ATOM 235 CE LYS A 18 1.279 -4.412 3.860 1.00 0.00 C ATOM 236 NZ LYS A 18 -0.105 -4.147 3.407 1.00 0.00 N ATOM 0 H LYS A 18 4.035 1.203 3.192 1.00 0.00 H new ATOM 0 HA LYS A 18 1.485 -0.082 3.147 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.420 -1.311 2.564 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.237 -0.898 4.058 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.373 -2.776 4.990 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.782 -2.049 4.883 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.774 -2.899 2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.131 -3.900 2.881 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.577 -5.419 3.568 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.327 -4.368 4.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.745 -4.860 3.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.398 -3.200 3.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.146 -4.195 2.369 1.00 0.00 H new ATOM 250 N PHE A 19 2.742 0.619 6.107 1.00 0.00 N ATOM 251 CA PHE A 19 2.385 0.830 7.500 1.00 0.00 C ATOM 252 C PHE A 19 1.503 2.070 7.658 1.00 0.00 C ATOM 253 O PHE A 19 0.475 2.023 8.333 1.00 0.00 O ATOM 254 CB PHE A 19 3.690 1.046 8.268 1.00 0.00 C ATOM 255 CG PHE A 19 3.518 1.801 9.587 1.00 0.00 C ATOM 256 CD1 PHE A 19 2.775 1.258 10.589 1.00 0.00 C ATOM 257 CD2 PHE A 19 4.108 3.014 9.759 1.00 0.00 C ATOM 258 CE1 PHE A 19 2.616 1.958 11.814 1.00 0.00 C ATOM 259 CE2 PHE A 19 3.948 3.714 10.984 1.00 0.00 C ATOM 260 CZ PHE A 19 3.205 3.171 11.986 1.00 0.00 C ATOM 0 H PHE A 19 3.733 0.738 5.898 1.00 0.00 H new ATOM 0 HA PHE A 19 1.829 -0.029 7.876 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.144 0.076 8.473 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.386 1.596 7.634 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.306 0.295 10.453 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.698 3.445 8.964 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.027 1.526 12.610 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.416 4.678 11.120 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.083 3.703 12.918 1.00 0.00 H new ATOM 270 N SER A 20 1.936 3.150 7.024 1.00 0.00 N ATOM 271 CA SER A 20 1.198 4.400 7.087 1.00 0.00 C ATOM 272 C SER A 20 -0.299 4.134 6.914 1.00 0.00 C ATOM 273 O SER A 20 -1.100 4.486 7.778 1.00 0.00 O ATOM 274 CB SER A 20 1.689 5.383 6.021 1.00 0.00 C ATOM 275 OG SER A 20 3.096 5.593 6.097 1.00 0.00 O ATOM 0 H SER A 20 2.788 3.185 6.464 1.00 0.00 H new ATOM 0 HA SER A 20 1.370 4.850 8.065 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.432 5.004 5.032 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.173 6.336 6.141 1.00 0.00 H new ATOM 0 HG SER A 20 3.564 4.793 5.778 1.00 0.00 H new ATOM 281 N GLN A 21 -0.631 3.513 5.791 1.00 0.00 N ATOM 282 CA GLN A 21 -2.017 3.196 5.494 1.00 0.00 C ATOM 283 C GLN A 21 -2.706 2.615 6.730 1.00 0.00 C ATOM 284 O GLN A 21 -3.915 2.762 6.898 1.00 0.00 O ATOM 285 CB GLN A 21 -2.117 2.234 4.308 1.00 0.00 C ATOM 286 CG GLN A 21 -2.875 2.875 3.144 1.00 0.00 C ATOM 287 CD GLN A 21 -2.943 1.927 1.945 1.00 0.00 C ATOM 288 OE1 GLN A 21 -2.766 0.725 2.061 1.00 0.00 O ATOM 289 NE2 GLN A 21 -3.209 2.532 0.791 1.00 0.00 N ATOM 0 H GLN A 21 0.036 3.221 5.077 1.00 0.00 H new ATOM 0 HA GLN A 21 -2.529 4.118 5.217 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -1.117 1.948 3.982 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.625 1.321 4.618 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.884 3.137 3.463 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.382 3.802 2.851 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.346 3.542 0.765 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -3.276 1.986 -0.068 1.00 0.00 H new ATOM 298 N GLU A 22 -1.906 1.967 7.564 1.00 0.00 N ATOM 299 CA GLU A 22 -2.423 1.363 8.781 1.00 0.00 C ATOM 300 C GLU A 22 -2.895 2.447 9.752 1.00 0.00 C ATOM 301 O GLU A 22 -3.961 2.325 10.353 1.00 0.00 O ATOM 302 CB GLU A 22 -1.374 0.461 9.434 1.00 0.00 C ATOM 303 CG GLU A 22 -2.025 -0.778 10.052 1.00 0.00 C ATOM 304 CD GLU A 22 -1.348 -2.057 9.555 1.00 0.00 C ATOM 305 OE1 GLU A 22 -1.681 -2.473 8.425 1.00 0.00 O ATOM 306 OE2 GLU A 22 -0.514 -2.590 10.318 1.00 0.00 O ATOM 0 H GLU A 22 -0.903 1.847 7.421 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.278 0.740 8.519 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.637 0.157 8.691 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.839 1.017 10.204 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.958 -0.725 11.139 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.085 -0.801 9.799 1.00 0.00 H new ATOM 313 N LEU A 23 -2.079 3.484 9.874 1.00 0.00 N ATOM 314 CA LEU A 23 -2.400 4.589 10.762 1.00 0.00 C ATOM 315 C LEU A 23 -3.554 5.398 10.165 1.00 0.00 C ATOM 316 O LEU A 23 -4.142 6.240 10.842 1.00 0.00 O ATOM 317 CB LEU A 23 -1.151 5.422 11.054 1.00 0.00 C ATOM 318 CG LEU A 23 -0.069 4.738 11.892 1.00 0.00 C ATOM 319 CD1 LEU A 23 1.327 5.196 11.466 1.00 0.00 C ATOM 320 CD2 LEU A 23 -0.313 4.957 13.386 1.00 0.00 C ATOM 0 H LEU A 23 -1.196 3.582 9.373 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.738 4.216 11.729 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.710 5.724 10.104 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.458 6.333 11.567 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.124 3.665 11.710 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.077 4.694 12.078 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.488 4.946 10.417 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.412 6.274 11.599 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.470 4.461 13.959 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.301 6.025 13.604 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.283 4.542 13.661 1.00 0.00 H new ATOM 332 N LEU A 24 -3.843 5.114 8.903 1.00 0.00 N ATOM 333 CA LEU A 24 -4.915 5.805 8.208 1.00 0.00 C ATOM 334 C LEU A 24 -6.203 4.988 8.326 1.00 0.00 C ATOM 335 O LEU A 24 -7.301 5.540 8.266 1.00 0.00 O ATOM 336 CB LEU A 24 -4.509 6.109 6.764 1.00 0.00 C ATOM 337 CG LEU A 24 -3.409 7.157 6.583 1.00 0.00 C ATOM 338 CD1 LEU A 24 -3.410 7.712 5.157 1.00 0.00 C ATOM 339 CD2 LEU A 24 -3.531 8.267 7.630 1.00 0.00 C ATOM 0 H LEU A 24 -3.353 4.415 8.344 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.108 6.773 8.671 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.179 5.181 6.297 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.394 6.442 6.221 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.446 6.671 6.739 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.619 8.455 5.055 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.239 6.900 4.450 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.373 8.177 4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.737 8.999 7.479 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.500 8.757 7.530 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.443 7.837 8.628 1.00 0.00 H new ATOM 351 N SER A 25 -6.027 3.685 8.491 1.00 0.00 N ATOM 352 CA SER A 25 -7.161 2.787 8.617 1.00 0.00 C ATOM 353 C SER A 25 -7.465 2.532 10.095 1.00 0.00 C ATOM 354 O SER A 25 -8.570 2.120 10.443 1.00 0.00 O ATOM 355 CB SER A 25 -6.900 1.464 7.894 1.00 0.00 C ATOM 356 OG SER A 25 -7.781 1.276 6.790 1.00 0.00 O ATOM 0 H SER A 25 -5.115 3.230 8.540 1.00 0.00 H new ATOM 0 HA SER A 25 -8.025 3.261 8.151 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.868 1.440 7.543 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.017 0.638 8.596 1.00 0.00 H new ATOM 0 HG SER A 25 -7.581 0.421 6.354 1.00 0.00 H new ATOM 362 N ASN A 26 -6.464 2.788 10.925 1.00 0.00 N ATOM 363 CA ASN A 26 -6.610 2.592 12.357 1.00 0.00 C ATOM 364 C ASN A 26 -7.405 3.757 12.949 1.00 0.00 C ATOM 365 O ASN A 26 -8.480 3.557 13.512 1.00 0.00 O ATOM 366 CB ASN A 26 -5.246 2.550 13.049 1.00 0.00 C ATOM 367 CG ASN A 26 -4.467 1.295 12.650 1.00 0.00 C ATOM 368 OD1 ASN A 26 -3.154 1.481 12.556 1.00 0.00 O flip ATOM 369 ND2 ASN A 26 -5.022 0.229 12.442 1.00 0.00 N flip ATOM 0 H ASN A 26 -5.548 3.130 10.633 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.125 1.645 12.517 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.672 3.438 12.784 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.382 2.569 14.130 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.035 0.155 12.532 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.473 -0.589 12.178 1.00 0.00 H new ATOM 376 N GLY A 27 -6.845 4.949 12.801 1.00 0.00 N ATOM 377 CA GLY A 27 -7.489 6.147 13.314 1.00 0.00 C ATOM 378 C GLY A 27 -6.817 6.620 14.605 1.00 0.00 C ATOM 379 O GLY A 27 -7.449 7.270 15.435 1.00 0.00 O ATOM 0 H GLY A 27 -5.953 5.111 12.333 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.444 6.938 12.565 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.544 5.946 13.501 1.00 0.00 H new ATOM 383 N GLU A 28 -5.544 6.275 14.732 1.00 0.00 N ATOM 384 CA GLU A 28 -4.780 6.656 15.908 1.00 0.00 C ATOM 385 C GLU A 28 -4.444 8.148 15.861 1.00 0.00 C ATOM 386 O GLU A 28 -4.164 8.758 16.893 1.00 0.00 O ATOM 387 CB GLU A 28 -3.510 5.812 16.034 1.00 0.00 C ATOM 388 CG GLU A 28 -3.701 4.436 15.394 1.00 0.00 C ATOM 389 CD GLU A 28 -2.990 3.351 16.206 1.00 0.00 C ATOM 390 OE1 GLU A 28 -3.494 3.044 17.308 1.00 0.00 O ATOM 391 OE2 GLU A 28 -1.959 2.852 15.706 1.00 0.00 O ATOM 0 H GLU A 28 -5.023 5.736 14.040 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.391 6.468 16.791 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.677 6.327 15.555 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.250 5.695 17.086 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.764 4.207 15.326 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.312 4.447 14.376 1.00 0.00 H new ATOM 398 N LEU A 29 -4.484 8.694 14.655 1.00 0.00 N ATOM 399 CA LEU A 29 -4.187 10.103 14.460 1.00 0.00 C ATOM 400 C LEU A 29 -5.368 10.776 13.759 1.00 0.00 C ATOM 401 O LEU A 29 -5.176 11.622 12.886 1.00 0.00 O ATOM 402 CB LEU A 29 -2.856 10.274 13.725 1.00 0.00 C ATOM 403 CG LEU A 29 -2.015 9.007 13.558 1.00 0.00 C ATOM 404 CD1 LEU A 29 -1.099 9.115 12.337 1.00 0.00 C ATOM 405 CD2 LEU A 29 -1.233 8.695 14.835 1.00 0.00 C ATOM 0 H LEU A 29 -4.718 8.186 13.802 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.060 10.602 15.421 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.060 10.684 12.736 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.260 11.014 14.260 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.690 8.170 13.382 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.512 8.202 12.241 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.703 9.255 11.440 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.429 9.966 12.459 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.644 7.790 14.689 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.568 9.527 15.067 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.929 8.546 15.660 1.00 0.00 H new ATOM 417 N ASN A 30 -6.564 10.376 14.166 1.00 0.00 N ATOM 418 CA ASN A 30 -7.776 10.930 13.587 1.00 0.00 C ATOM 419 C ASN A 30 -8.187 12.177 14.372 1.00 0.00 C ATOM 420 O ASN A 30 -9.287 12.696 14.188 1.00 0.00 O ATOM 421 CB ASN A 30 -8.928 9.926 13.656 1.00 0.00 C ATOM 422 CG ASN A 30 -9.499 9.650 12.264 1.00 0.00 C ATOM 423 OD1 ASN A 30 -9.714 10.546 11.464 1.00 0.00 O ATOM 424 ND2 ASN A 30 -9.733 8.364 12.020 1.00 0.00 N ATOM 0 H ASN A 30 -6.719 9.675 14.890 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.572 11.172 12.544 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.577 8.995 14.100 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.714 10.313 14.305 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.115 8.077 11.119 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.530 7.664 12.734 1.00 0.00 H new ATOM 431 N HIS A 31 -7.282 12.622 15.231 1.00 0.00 N ATOM 432 CA HIS A 31 -7.537 13.798 16.045 1.00 0.00 C ATOM 433 C HIS A 31 -6.987 15.039 15.340 1.00 0.00 C ATOM 434 O HIS A 31 -7.354 16.163 15.679 1.00 0.00 O ATOM 435 CB HIS A 31 -6.969 13.617 17.454 1.00 0.00 C ATOM 436 CG HIS A 31 -5.483 13.348 17.488 1.00 0.00 C ATOM 437 ND1 HIS A 31 -4.944 12.089 17.293 1.00 0.00 N ATOM 438 CD2 HIS A 31 -4.430 14.190 17.695 1.00 0.00 C ATOM 439 CE1 HIS A 31 -3.625 12.180 17.382 1.00 0.00 C ATOM 440 NE2 HIS A 31 -3.309 13.483 17.632 1.00 0.00 N ATOM 0 H HIS A 31 -6.371 12.189 15.381 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.612 13.936 16.164 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -7.179 14.514 18.037 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -7.488 12.792 17.941 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -4.497 15.252 17.879 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -2.924 11.366 17.275 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -2.366 13.853 17.751 1.00 0.00 H new ATOM 448 N LEU A 32 -6.117 14.794 14.372 1.00 0.00 N ATOM 449 CA LEU A 32 -5.513 15.878 13.615 1.00 0.00 C ATOM 450 C LEU A 32 -5.862 15.716 12.134 1.00 0.00 C ATOM 451 O LEU A 32 -6.331 14.660 11.715 1.00 0.00 O ATOM 452 CB LEU A 32 -4.010 15.950 13.889 1.00 0.00 C ATOM 453 CG LEU A 32 -3.344 14.642 14.323 1.00 0.00 C ATOM 454 CD1 LEU A 32 -3.170 13.695 13.134 1.00 0.00 C ATOM 455 CD2 LEU A 32 -2.018 14.913 15.038 1.00 0.00 C ATOM 0 H LEU A 32 -5.815 13.860 14.094 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.918 16.838 13.935 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.513 16.306 12.987 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.837 16.697 14.664 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.000 14.145 15.038 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.695 12.773 13.469 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.146 13.465 12.706 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.545 14.171 12.378 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.565 13.967 15.336 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.343 15.442 14.365 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.200 15.523 15.923 1.00 0.00 H new ATOM 467 N PRO A 33 -5.612 16.808 11.363 1.00 0.00 N ATOM 468 CA PRO A 33 -5.894 16.798 9.937 1.00 0.00 C ATOM 469 C PRO A 33 -4.848 15.979 9.178 1.00 0.00 C ATOM 470 O PRO A 33 -3.746 15.756 9.677 1.00 0.00 O ATOM 471 CB PRO A 33 -5.912 18.262 9.529 1.00 0.00 C ATOM 472 CG PRO A 33 -5.185 19.012 10.634 1.00 0.00 C ATOM 473 CD PRO A 33 -5.056 18.077 11.825 1.00 0.00 C ATOM 0 HA PRO A 33 -6.845 16.321 9.699 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.417 18.406 8.568 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.934 18.624 9.418 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.201 19.334 10.293 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.736 19.910 10.912 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.015 17.966 12.130 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -5.602 18.458 12.688 1.00 0.00 H new ATOM 481 N LEU A 34 -5.231 15.552 7.983 1.00 0.00 N ATOM 482 CA LEU A 34 -4.340 14.762 7.150 1.00 0.00 C ATOM 483 C LEU A 34 -2.939 15.376 7.184 1.00 0.00 C ATOM 484 O LEU A 34 -1.988 14.736 7.628 1.00 0.00 O ATOM 485 CB LEU A 34 -4.914 14.618 5.739 1.00 0.00 C ATOM 486 CG LEU A 34 -4.069 13.814 4.750 1.00 0.00 C ATOM 487 CD1 LEU A 34 -2.894 14.645 4.230 1.00 0.00 C ATOM 488 CD2 LEU A 34 -3.607 12.494 5.370 1.00 0.00 C ATOM 0 H LEU A 34 -6.146 15.738 7.572 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.253 13.748 7.540 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.895 14.149 5.813 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.068 15.615 5.327 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.693 13.566 3.891 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.309 14.050 3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.272 15.533 3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.262 14.945 5.066 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.008 11.942 4.646 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.007 12.699 6.256 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.477 11.900 5.650 1.00 0.00 H new ATOM 500 N LYS A 35 -2.857 16.610 6.708 1.00 0.00 N ATOM 501 CA LYS A 35 -1.588 17.318 6.679 1.00 0.00 C ATOM 502 C LYS A 35 -0.766 16.933 7.910 1.00 0.00 C ATOM 503 O LYS A 35 0.458 16.831 7.837 1.00 0.00 O ATOM 504 CB LYS A 35 -1.817 18.824 6.539 1.00 0.00 C ATOM 505 CG LYS A 35 -0.525 19.601 6.796 1.00 0.00 C ATOM 506 CD LYS A 35 0.430 19.486 5.606 1.00 0.00 C ATOM 507 CE LYS A 35 1.559 20.513 5.707 1.00 0.00 C ATOM 508 NZ LYS A 35 1.708 21.247 4.431 1.00 0.00 N ATOM 0 H LYS A 35 -3.648 17.138 6.339 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.009 17.025 5.804 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.187 19.048 5.538 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.585 19.146 7.242 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.758 20.650 6.980 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.040 19.220 7.694 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.850 18.481 5.568 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.121 19.636 4.677 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.349 21.215 6.514 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.494 20.011 5.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.479 21.940 4.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.930 20.576 3.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.821 21.742 4.210 1.00 0.00 H new ATOM 522 N GLU A 36 -1.471 16.729 9.013 1.00 0.00 N ATOM 523 CA GLU A 36 -0.822 16.357 10.259 1.00 0.00 C ATOM 524 C GLU A 36 -0.663 14.837 10.342 1.00 0.00 C ATOM 525 O GLU A 36 0.411 14.339 10.676 1.00 0.00 O ATOM 526 CB GLU A 36 -1.597 16.894 11.463 1.00 0.00 C ATOM 527 CG GLU A 36 -1.232 18.353 11.744 1.00 0.00 C ATOM 528 CD GLU A 36 -1.075 18.599 13.246 1.00 0.00 C ATOM 529 OE1 GLU A 36 -2.117 18.837 13.894 1.00 0.00 O ATOM 530 OE2 GLU A 36 0.084 18.544 13.712 1.00 0.00 O ATOM 0 H GLU A 36 -2.486 16.814 9.070 1.00 0.00 H new ATOM 0 HA GLU A 36 0.170 16.808 10.277 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.668 16.813 11.276 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.379 16.285 12.341 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.303 18.605 11.232 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.005 19.009 11.343 1.00 0.00 H new ATOM 537 N ARG A 37 -1.749 14.143 10.033 1.00 0.00 N ATOM 538 CA ARG A 37 -1.744 12.691 10.069 1.00 0.00 C ATOM 539 C ARG A 37 -0.460 12.149 9.437 1.00 0.00 C ATOM 540 O ARG A 37 0.312 11.451 10.092 1.00 0.00 O ATOM 541 CB ARG A 37 -2.952 12.118 9.325 1.00 0.00 C ATOM 542 CG ARG A 37 -4.259 12.516 10.013 1.00 0.00 C ATOM 543 CD ARG A 37 -5.437 11.710 9.462 1.00 0.00 C ATOM 544 NE ARG A 37 -6.711 12.259 9.976 1.00 0.00 N ATOM 545 CZ ARG A 37 -7.919 11.924 9.503 1.00 0.00 C ATOM 546 NH1 ARG A 37 -8.025 11.040 8.501 1.00 0.00 N ATOM 547 NH2 ARG A 37 -9.021 12.473 10.031 1.00 0.00 N ATOM 0 H ARG A 37 -2.638 14.560 9.757 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.796 12.385 11.114 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.954 12.478 8.296 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.876 11.032 9.282 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.173 12.353 11.087 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.442 13.580 9.866 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.431 11.741 8.372 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.339 10.664 9.752 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.667 12.935 10.738 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.186 10.622 8.099 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.945 10.785 8.141 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.940 13.146 10.793 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.941 12.218 9.671 1.00 0.00 H new ATOM 561 N MET A 38 -0.272 12.490 8.170 1.00 0.00 N ATOM 562 CA MET A 38 0.905 12.046 7.443 1.00 0.00 C ATOM 563 C MET A 38 2.180 12.325 8.240 1.00 0.00 C ATOM 564 O MET A 38 2.832 11.398 8.719 1.00 0.00 O ATOM 565 CB MET A 38 0.976 12.770 6.097 1.00 0.00 C ATOM 566 CG MET A 38 -0.283 12.510 5.267 1.00 0.00 C ATOM 567 SD MET A 38 -0.579 10.754 5.142 1.00 0.00 S ATOM 568 CE MET A 38 0.920 10.245 4.317 1.00 0.00 C ATOM 0 H MET A 38 -0.915 13.068 7.629 1.00 0.00 H new ATOM 0 HA MET A 38 0.827 10.970 7.284 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.092 13.841 6.262 1.00 0.00 H new ATOM 0 HB3 MET A 38 1.855 12.435 5.546 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.140 13.000 5.728 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.168 12.940 4.272 1.00 0.00 H new ATOM 0 HE1 MET A 38 0.770 9.266 3.862 1.00 0.00 H new ATOM 0 HE2 MET A 38 1.173 10.970 3.543 1.00 0.00 H new ATOM 0 HE3 MET A 38 1.733 10.188 5.041 1.00 0.00 H new ATOM 578 N VAL A 39 2.498 13.606 8.359 1.00 0.00 N ATOM 579 CA VAL A 39 3.684 14.018 9.090 1.00 0.00 C ATOM 580 C VAL A 39 3.790 13.204 10.382 1.00 0.00 C ATOM 581 O VAL A 39 4.852 12.670 10.698 1.00 0.00 O ATOM 582 CB VAL A 39 3.649 15.528 9.336 1.00 0.00 C ATOM 583 CG1 VAL A 39 2.313 15.953 9.948 1.00 0.00 C ATOM 584 CG2 VAL A 39 4.821 15.967 10.216 1.00 0.00 C ATOM 0 H VAL A 39 1.955 14.372 7.961 1.00 0.00 H new ATOM 0 HA VAL A 39 4.582 13.818 8.505 1.00 0.00 H new ATOM 0 HB VAL A 39 3.749 16.027 8.372 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.315 17.030 10.113 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.502 15.691 9.269 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.169 15.441 10.899 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.773 17.044 10.376 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.766 15.455 11.177 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.760 15.715 9.724 1.00 0.00 H new ATOM 594 N GLU A 40 2.674 13.136 11.093 1.00 0.00 N ATOM 595 CA GLU A 40 2.628 12.397 12.343 1.00 0.00 C ATOM 596 C GLU A 40 3.064 10.948 12.119 1.00 0.00 C ATOM 597 O GLU A 40 3.813 10.390 12.920 1.00 0.00 O ATOM 598 CB GLU A 40 1.232 12.460 12.966 1.00 0.00 C ATOM 599 CG GLU A 40 1.316 12.568 14.490 1.00 0.00 C ATOM 600 CD GLU A 40 2.140 13.788 14.909 1.00 0.00 C ATOM 601 OE1 GLU A 40 1.680 14.912 14.613 1.00 0.00 O ATOM 602 OE2 GLU A 40 3.210 13.568 15.516 1.00 0.00 O ATOM 0 H GLU A 40 1.795 13.580 10.827 1.00 0.00 H new ATOM 0 HA GLU A 40 3.323 12.861 13.043 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.690 13.317 12.566 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.667 11.569 12.692 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.312 12.641 14.909 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.766 11.663 14.898 1.00 0.00 H new ATOM 609 N ILE A 41 2.576 10.379 11.027 1.00 0.00 N ATOM 610 CA ILE A 41 2.905 9.005 10.687 1.00 0.00 C ATOM 611 C ILE A 41 4.423 8.868 10.551 1.00 0.00 C ATOM 612 O ILE A 41 5.033 8.013 11.191 1.00 0.00 O ATOM 613 CB ILE A 41 2.133 8.560 9.443 1.00 0.00 C ATOM 614 CG1 ILE A 41 0.624 8.589 9.695 1.00 0.00 C ATOM 615 CG2 ILE A 41 2.609 7.187 8.965 1.00 0.00 C ATOM 616 CD1 ILE A 41 -0.138 8.955 8.420 1.00 0.00 C ATOM 0 H ILE A 41 1.955 10.845 10.366 1.00 0.00 H new ATOM 0 HA ILE A 41 2.593 8.330 11.484 1.00 0.00 H new ATOM 0 HB ILE A 41 2.339 9.269 8.641 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.293 7.614 10.054 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.396 9.311 10.479 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.044 6.894 8.080 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.670 7.235 8.719 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.452 6.452 9.755 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.208 8.968 8.627 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.178 9.940 8.078 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.073 8.217 7.646 1.00 0.00 H new ATOM 628 N GLY A 42 4.989 9.723 9.712 1.00 0.00 N ATOM 629 CA GLY A 42 6.424 9.708 9.483 1.00 0.00 C ATOM 630 C GLY A 42 7.186 9.488 10.792 1.00 0.00 C ATOM 631 O GLY A 42 8.206 8.801 10.813 1.00 0.00 O ATOM 0 H GLY A 42 4.480 10.431 9.182 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.675 8.918 8.775 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.734 10.651 9.032 1.00 0.00 H new ATOM 635 N SER A 43 6.660 10.084 11.852 1.00 0.00 N ATOM 636 CA SER A 43 7.278 9.962 13.162 1.00 0.00 C ATOM 637 C SER A 43 7.221 8.508 13.633 1.00 0.00 C ATOM 638 O SER A 43 8.211 7.975 14.134 1.00 0.00 O ATOM 639 CB SER A 43 6.595 10.877 14.180 1.00 0.00 C ATOM 640 OG SER A 43 7.525 11.737 14.833 1.00 0.00 O ATOM 0 H SER A 43 5.813 10.652 11.831 1.00 0.00 H new ATOM 0 HA SER A 43 8.320 10.270 13.079 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.837 11.478 13.677 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.078 10.270 14.924 1.00 0.00 H new ATOM 0 HG SER A 43 7.050 12.306 15.474 1.00 0.00 H new ATOM 646 N ARG A 44 6.054 7.907 13.457 1.00 0.00 N ATOM 647 CA ARG A 44 5.855 6.524 13.858 1.00 0.00 C ATOM 648 C ARG A 44 6.758 5.599 13.040 1.00 0.00 C ATOM 649 O ARG A 44 7.491 4.786 13.600 1.00 0.00 O ATOM 650 CB ARG A 44 4.398 6.100 13.671 1.00 0.00 C ATOM 651 CG ARG A 44 3.515 6.663 14.786 1.00 0.00 C ATOM 652 CD ARG A 44 2.941 8.027 14.397 1.00 0.00 C ATOM 653 NE ARG A 44 3.327 9.043 15.401 1.00 0.00 N ATOM 654 CZ ARG A 44 2.729 9.188 16.591 1.00 0.00 C ATOM 655 NH1 ARG A 44 1.714 8.383 16.934 1.00 0.00 N ATOM 656 NH2 ARG A 44 3.145 10.138 17.439 1.00 0.00 N ATOM 0 H ARG A 44 5.236 8.352 13.042 1.00 0.00 H new ATOM 0 HA ARG A 44 6.111 6.445 14.915 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.035 6.449 12.704 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.330 5.012 13.663 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.701 5.969 14.996 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.097 6.758 15.703 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.308 8.318 13.413 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.855 7.967 14.327 1.00 0.00 H new ATOM 0 HE ARG A 44 4.097 9.672 15.173 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.396 7.660 16.289 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.259 8.494 17.840 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.917 10.751 17.179 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.689 10.248 18.345 1.00 0.00 H new ATOM 670 N TRP A 45 6.676 5.755 11.727 1.00 0.00 N ATOM 671 CA TRP A 45 7.476 4.943 10.825 1.00 0.00 C ATOM 672 C TRP A 45 8.950 5.164 11.172 1.00 0.00 C ATOM 673 O TRP A 45 9.779 4.280 10.965 1.00 0.00 O ATOM 674 CB TRP A 45 7.151 5.264 9.365 1.00 0.00 C ATOM 675 CG TRP A 45 8.145 4.673 8.362 1.00 0.00 C ATOM 676 CD1 TRP A 45 9.220 5.262 7.822 1.00 0.00 C ATOM 677 CD2 TRP A 45 8.111 3.345 7.799 1.00 0.00 C ATOM 678 NE1 TRP A 45 9.879 4.414 6.955 1.00 0.00 N ATOM 679 CE2 TRP A 45 9.183 3.211 6.941 1.00 0.00 C ATOM 680 CE3 TRP A 45 7.204 2.291 8.008 1.00 0.00 C ATOM 681 CZ2 TRP A 45 9.449 2.039 6.223 1.00 0.00 C ATOM 682 CZ3 TRP A 45 7.484 1.126 7.283 1.00 0.00 C ATOM 683 CH2 TRP A 45 8.559 0.976 6.415 1.00 0.00 C ATOM 0 H TRP A 45 6.068 6.432 11.266 1.00 0.00 H new ATOM 0 HA TRP A 45 7.244 3.885 10.949 1.00 0.00 H new ATOM 0 HB2 TRP A 45 6.153 4.891 9.135 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.123 6.346 9.239 1.00 0.00 H new ATOM 0 HD1 TRP A 45 9.532 6.273 8.038 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.722 4.630 6.423 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.358 2.373 8.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 10.295 1.959 5.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.818 0.285 7.407 1.00 0.00 H new ATOM 0 HH2 TRP A 45 8.707 0.043 5.891 1.00 0.00 H new ATOM 694 N GLN A 46 9.230 6.349 11.695 1.00 0.00 N ATOM 695 CA GLN A 46 10.589 6.698 12.073 1.00 0.00 C ATOM 696 C GLN A 46 10.901 6.172 13.476 1.00 0.00 C ATOM 697 O GLN A 46 12.066 6.060 13.856 1.00 0.00 O ATOM 698 CB GLN A 46 10.810 8.209 11.992 1.00 0.00 C ATOM 699 CG GLN A 46 11.066 8.650 10.550 1.00 0.00 C ATOM 700 CD GLN A 46 12.554 8.560 10.205 1.00 0.00 C ATOM 701 OE1 GLN A 46 13.418 8.549 11.066 1.00 0.00 O ATOM 702 NE2 GLN A 46 12.804 8.497 8.900 1.00 0.00 N ATOM 0 H GLN A 46 8.539 7.079 11.866 1.00 0.00 H new ATOM 0 HA GLN A 46 11.274 6.226 11.368 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.937 8.729 12.385 1.00 0.00 H new ATOM 0 HB3 GLN A 46 11.657 8.490 12.618 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.492 8.024 9.867 1.00 0.00 H new ATOM 0 HG3 GLN A 46 10.718 9.674 10.412 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.033 8.511 8.232 1.00 0.00 H new ATOM 0 HE22 GLN A 46 13.766 8.435 8.567 1.00 0.00 H new ATOM 711 N ARG A 47 9.840 5.864 14.207 1.00 0.00 N ATOM 712 CA ARG A 47 9.987 5.352 15.559 1.00 0.00 C ATOM 713 C ARG A 47 10.372 3.872 15.528 1.00 0.00 C ATOM 714 O ARG A 47 11.379 3.477 16.114 1.00 0.00 O ATOM 715 CB ARG A 47 8.690 5.518 16.354 1.00 0.00 C ATOM 716 CG ARG A 47 8.613 6.905 16.995 1.00 0.00 C ATOM 717 CD ARG A 47 7.264 7.117 17.684 1.00 0.00 C ATOM 718 NE ARG A 47 7.263 8.406 18.411 1.00 0.00 N ATOM 719 CZ ARG A 47 7.935 8.627 19.549 1.00 0.00 C ATOM 720 NH1 ARG A 47 8.665 7.646 20.097 1.00 0.00 N ATOM 721 NH2 ARG A 47 7.877 9.829 20.139 1.00 0.00 N ATOM 0 H ARG A 47 8.876 5.959 13.889 1.00 0.00 H new ATOM 0 HA ARG A 47 10.775 5.925 16.047 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.834 5.370 15.695 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.633 4.752 17.128 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.418 7.019 17.721 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.760 7.670 16.233 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.463 7.107 16.945 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.068 6.299 18.377 1.00 0.00 H new ATOM 0 HE ARG A 47 6.717 9.174 18.021 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.709 6.731 19.648 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.177 7.814 20.963 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.321 10.576 19.722 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.389 9.997 21.005 1.00 0.00 H new ATOM 735 N ILE A 48 9.550 3.094 14.840 1.00 0.00 N ATOM 736 CA ILE A 48 9.792 1.666 14.725 1.00 0.00 C ATOM 737 C ILE A 48 11.257 1.430 14.351 1.00 0.00 C ATOM 738 O ILE A 48 11.992 2.377 14.077 1.00 0.00 O ATOM 739 CB ILE A 48 8.799 1.030 13.750 1.00 0.00 C ATOM 740 CG1 ILE A 48 8.880 1.694 12.374 1.00 0.00 C ATOM 741 CG2 ILE A 48 7.378 1.060 14.318 1.00 0.00 C ATOM 742 CD1 ILE A 48 7.868 1.077 11.407 1.00 0.00 C ATOM 0 H ILE A 48 8.715 3.425 14.356 1.00 0.00 H new ATOM 0 HA ILE A 48 9.623 1.173 15.682 1.00 0.00 H new ATOM 0 HB ILE A 48 9.072 -0.017 13.619 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.691 2.763 12.471 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.887 1.583 11.972 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.692 0.602 13.606 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.350 0.506 15.257 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.079 2.093 14.497 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.947 1.567 10.437 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.075 0.013 11.294 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.860 1.211 11.801 1.00 0.00 H new ATOM 754 N SER A 49 11.638 0.160 14.352 1.00 0.00 N ATOM 755 CA SER A 49 13.001 -0.212 14.016 1.00 0.00 C ATOM 756 C SER A 49 13.039 -0.869 12.635 1.00 0.00 C ATOM 757 O SER A 49 12.025 -0.922 11.941 1.00 0.00 O ATOM 758 CB SER A 49 13.590 -1.154 15.069 1.00 0.00 C ATOM 759 OG SER A 49 14.126 -0.443 16.181 1.00 0.00 O ATOM 0 H SER A 49 11.026 -0.623 14.580 1.00 0.00 H new ATOM 0 HA SER A 49 13.608 0.693 13.997 1.00 0.00 H new ATOM 0 HB2 SER A 49 12.816 -1.839 15.416 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.373 -1.761 14.615 1.00 0.00 H new ATOM 0 HG SER A 49 14.490 -1.079 16.831 1.00 0.00 H new ATOM 765 N GLN A 50 14.220 -1.353 12.278 1.00 0.00 N ATOM 766 CA GLN A 50 14.403 -2.005 10.992 1.00 0.00 C ATOM 767 C GLN A 50 13.386 -3.135 10.819 1.00 0.00 C ATOM 768 O GLN A 50 12.684 -3.195 9.811 1.00 0.00 O ATOM 769 CB GLN A 50 15.834 -2.526 10.841 1.00 0.00 C ATOM 770 CG GLN A 50 16.055 -3.123 9.449 1.00 0.00 C ATOM 771 CD GLN A 50 15.808 -2.078 8.359 1.00 0.00 C ATOM 772 OE1 GLN A 50 16.714 -1.421 7.876 1.00 0.00 O ATOM 773 NE2 GLN A 50 14.532 -1.963 8.000 1.00 0.00 N ATOM 0 H GLN A 50 15.059 -1.307 12.856 1.00 0.00 H new ATOM 0 HA GLN A 50 14.234 -1.269 10.206 1.00 0.00 H new ATOM 0 HB2 GLN A 50 16.541 -1.713 11.009 1.00 0.00 H new ATOM 0 HB3 GLN A 50 16.032 -3.282 11.601 1.00 0.00 H new ATOM 0 HG2 GLN A 50 17.074 -3.503 9.370 1.00 0.00 H new ATOM 0 HG3 GLN A 50 15.386 -3.971 9.303 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.822 -2.545 8.445 1.00 0.00 H new ATOM 0 HE22 GLN A 50 14.263 -1.293 7.279 1.00 0.00 H new ATOM 782 N SER A 51 13.339 -4.003 11.819 1.00 0.00 N ATOM 783 CA SER A 51 12.420 -5.128 11.791 1.00 0.00 C ATOM 784 C SER A 51 11.103 -4.711 11.134 1.00 0.00 C ATOM 785 O SER A 51 10.743 -5.225 10.076 1.00 0.00 O ATOM 786 CB SER A 51 12.163 -5.665 13.200 1.00 0.00 C ATOM 787 OG SER A 51 11.036 -6.536 13.242 1.00 0.00 O ATOM 0 H SER A 51 13.923 -3.950 12.654 1.00 0.00 H new ATOM 0 HA SER A 51 12.875 -5.926 11.205 1.00 0.00 H new ATOM 0 HB2 SER A 51 13.046 -6.198 13.552 1.00 0.00 H new ATOM 0 HB3 SER A 51 12.002 -4.830 13.882 1.00 0.00 H new ATOM 0 HG SER A 51 10.906 -6.859 14.158 1.00 0.00 H new ATOM 793 N GLN A 52 10.420 -3.783 11.788 1.00 0.00 N ATOM 794 CA GLN A 52 9.151 -3.291 11.280 1.00 0.00 C ATOM 795 C GLN A 52 9.263 -2.972 9.788 1.00 0.00 C ATOM 796 O GLN A 52 8.703 -3.681 8.954 1.00 0.00 O ATOM 797 CB GLN A 52 8.682 -2.066 12.069 1.00 0.00 C ATOM 798 CG GLN A 52 7.353 -2.344 12.774 1.00 0.00 C ATOM 799 CD GLN A 52 7.383 -3.698 13.487 1.00 0.00 C ATOM 800 OE1 GLN A 52 8.408 -4.153 13.968 1.00 0.00 O ATOM 801 NE2 GLN A 52 6.205 -4.314 13.527 1.00 0.00 N ATOM 0 H GLN A 52 10.722 -3.359 12.665 1.00 0.00 H new ATOM 0 HA GLN A 52 8.403 -4.074 11.409 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.438 -1.792 12.805 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.570 -1.216 11.396 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.148 -1.553 13.496 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.541 -2.330 12.047 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.386 -3.877 13.104 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.120 -5.224 13.980 1.00 0.00 H new ATOM 810 N LYS A 53 9.992 -1.904 9.497 1.00 0.00 N ATOM 811 CA LYS A 53 10.185 -1.482 8.120 1.00 0.00 C ATOM 812 C LYS A 53 10.384 -2.715 7.237 1.00 0.00 C ATOM 813 O LYS A 53 9.684 -2.889 6.240 1.00 0.00 O ATOM 814 CB LYS A 53 11.327 -0.468 8.026 1.00 0.00 C ATOM 815 CG LYS A 53 10.988 0.811 8.795 1.00 0.00 C ATOM 816 CD LYS A 53 12.177 1.775 8.806 1.00 0.00 C ATOM 817 CE LYS A 53 11.751 3.165 9.282 1.00 0.00 C ATOM 818 NZ LYS A 53 12.785 4.168 8.945 1.00 0.00 N ATOM 0 H LYS A 53 10.456 -1.319 10.192 1.00 0.00 H new ATOM 0 HA LYS A 53 9.299 -0.965 7.752 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.241 -0.906 8.426 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.520 -0.228 6.980 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.126 1.297 8.338 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.708 0.561 9.818 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.959 1.387 9.459 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.603 1.844 7.805 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.804 3.440 8.818 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.586 3.152 10.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.480 5.106 9.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.680 3.912 9.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.923 4.192 7.914 1.00 0.00 H new ATOM 832 N GLU A 54 11.342 -3.540 7.634 1.00 0.00 N ATOM 833 CA GLU A 54 11.642 -4.752 6.891 1.00 0.00 C ATOM 834 C GLU A 54 10.374 -5.587 6.702 1.00 0.00 C ATOM 835 O GLU A 54 10.106 -6.077 5.606 1.00 0.00 O ATOM 836 CB GLU A 54 12.735 -5.566 7.587 1.00 0.00 C ATOM 837 CG GLU A 54 14.102 -5.306 6.950 1.00 0.00 C ATOM 838 CD GLU A 54 14.416 -6.353 5.880 1.00 0.00 C ATOM 839 OE1 GLU A 54 13.446 -6.841 5.261 1.00 0.00 O ATOM 840 OE2 GLU A 54 15.619 -6.643 5.706 1.00 0.00 O ATOM 0 H GLU A 54 11.921 -3.393 8.461 1.00 0.00 H new ATOM 0 HA GLU A 54 12.017 -4.468 5.908 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.768 -5.307 8.645 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.497 -6.628 7.526 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.117 -4.311 6.506 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.875 -5.323 7.719 1.00 0.00 H new ATOM 847 N HIS A 55 9.626 -5.722 7.787 1.00 0.00 N ATOM 848 CA HIS A 55 8.392 -6.489 7.755 1.00 0.00 C ATOM 849 C HIS A 55 7.425 -5.863 6.747 1.00 0.00 C ATOM 850 O HIS A 55 7.015 -6.515 5.788 1.00 0.00 O ATOM 851 CB HIS A 55 7.790 -6.610 9.157 1.00 0.00 C ATOM 852 CG HIS A 55 6.567 -7.492 9.226 1.00 0.00 C ATOM 853 ND1 HIS A 55 6.543 -8.782 8.725 1.00 0.00 N ATOM 854 CD2 HIS A 55 5.326 -7.257 9.742 1.00 0.00 C ATOM 855 CE1 HIS A 55 5.338 -9.290 8.935 1.00 0.00 C ATOM 856 NE2 HIS A 55 4.585 -8.343 9.565 1.00 0.00 N ATOM 0 H HIS A 55 9.851 -5.313 8.694 1.00 0.00 H new ATOM 0 HA HIS A 55 8.601 -7.506 7.424 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.548 -7.004 9.834 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.528 -5.615 9.516 1.00 0.00 H new ATOM 0 HD2 HIS A 55 5.002 -6.342 10.215 1.00 0.00 H new ATOM 0 HE1 HIS A 55 5.009 -10.280 8.656 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.612 -8.452 9.853 1.00 0.00 H new ATOM 864 N TYR A 56 7.090 -4.606 6.999 1.00 0.00 N ATOM 865 CA TYR A 56 6.179 -3.885 6.126 1.00 0.00 C ATOM 866 C TYR A 56 6.663 -3.927 4.675 1.00 0.00 C ATOM 867 O TYR A 56 5.988 -4.481 3.808 1.00 0.00 O ATOM 868 CB TYR A 56 6.189 -2.434 6.612 1.00 0.00 C ATOM 869 CG TYR A 56 5.363 -2.197 7.878 1.00 0.00 C ATOM 870 CD1 TYR A 56 4.042 -2.594 7.925 1.00 0.00 C ATOM 871 CD2 TYR A 56 5.939 -1.586 8.974 1.00 0.00 C ATOM 872 CE1 TYR A 56 3.264 -2.370 9.116 1.00 0.00 C ATOM 873 CE2 TYR A 56 5.161 -1.363 10.165 1.00 0.00 C ATOM 874 CZ TYR A 56 3.862 -1.766 10.177 1.00 0.00 C ATOM 875 OH TYR A 56 3.128 -1.555 11.303 1.00 0.00 O ATOM 0 H TYR A 56 7.433 -4.068 7.795 1.00 0.00 H new ATOM 0 HA TYR A 56 5.184 -4.330 6.157 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.219 -2.132 6.801 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.809 -1.792 5.817 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.592 -3.073 7.068 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.973 -1.275 8.938 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.229 -2.675 9.165 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.599 -0.886 11.029 1.00 0.00 H new ATOM 0 HH TYR A 56 3.117 -0.597 11.511 1.00 0.00 H new ATOM 885 N LYS A 57 7.827 -3.334 4.455 1.00 0.00 N ATOM 886 CA LYS A 57 8.408 -3.297 3.124 1.00 0.00 C ATOM 887 C LYS A 57 8.257 -4.671 2.468 1.00 0.00 C ATOM 888 O LYS A 57 7.949 -4.765 1.280 1.00 0.00 O ATOM 889 CB LYS A 57 9.854 -2.801 3.185 1.00 0.00 C ATOM 890 CG LYS A 57 10.836 -3.974 3.211 1.00 0.00 C ATOM 891 CD LYS A 57 12.273 -3.482 3.397 1.00 0.00 C ATOM 892 CE LYS A 57 12.722 -2.638 2.203 1.00 0.00 C ATOM 893 NZ LYS A 57 14.147 -2.262 2.341 1.00 0.00 N ATOM 0 H LYS A 57 8.384 -2.875 5.176 1.00 0.00 H new ATOM 0 HA LYS A 57 7.876 -2.583 2.496 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.062 -2.168 2.323 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.994 -2.185 4.074 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.573 -4.655 4.021 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.758 -4.539 2.282 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.344 -2.892 4.311 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.941 -4.335 3.516 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.575 -3.197 1.279 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.108 -1.740 2.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.436 -1.689 1.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.278 -1.710 3.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.730 -3.122 2.385 1.00 0.00 H new ATOM 907 N LYS A 58 8.479 -5.702 3.269 1.00 0.00 N ATOM 908 CA LYS A 58 8.371 -7.066 2.780 1.00 0.00 C ATOM 909 C LYS A 58 6.920 -7.350 2.390 1.00 0.00 C ATOM 910 O LYS A 58 6.635 -7.669 1.236 1.00 0.00 O ATOM 911 CB LYS A 58 8.935 -8.050 3.808 1.00 0.00 C ATOM 912 CG LYS A 58 8.640 -9.495 3.403 1.00 0.00 C ATOM 913 CD LYS A 58 7.386 -10.017 4.108 1.00 0.00 C ATOM 914 CE LYS A 58 7.565 -10.003 5.627 1.00 0.00 C ATOM 915 NZ LYS A 58 7.552 -11.383 6.163 1.00 0.00 N ATOM 0 H LYS A 58 8.733 -5.621 4.253 1.00 0.00 H new ATOM 0 HA LYS A 58 8.975 -7.197 1.882 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.012 -7.907 3.901 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.501 -7.847 4.787 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.505 -9.553 2.323 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.492 -10.128 3.653 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.528 -9.403 3.834 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.172 -11.032 3.773 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.506 -9.516 5.884 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.768 -9.420 6.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.675 -11.356 7.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.644 -11.836 5.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.328 -11.928 5.737 1.00 0.00 H new ATOM 929 N LEU A 59 6.040 -7.224 3.373 1.00 0.00 N ATOM 930 CA LEU A 59 4.625 -7.463 3.146 1.00 0.00 C ATOM 931 C LEU A 59 4.219 -6.856 1.801 1.00 0.00 C ATOM 932 O LEU A 59 3.713 -7.558 0.927 1.00 0.00 O ATOM 933 CB LEU A 59 3.799 -6.950 4.327 1.00 0.00 C ATOM 934 CG LEU A 59 4.061 -7.627 5.673 1.00 0.00 C ATOM 935 CD1 LEU A 59 3.441 -6.827 6.820 1.00 0.00 C ATOM 936 CD2 LEU A 59 3.577 -9.079 5.661 1.00 0.00 C ATOM 0 H LEU A 59 6.280 -6.959 4.328 1.00 0.00 H new ATOM 0 HA LEU A 59 4.424 -8.533 3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.985 -5.882 4.438 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.743 -7.066 4.084 1.00 0.00 H new ATOM 0 HG LEU A 59 5.138 -7.648 5.840 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.642 -7.331 7.765 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.874 -5.827 6.842 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.364 -6.752 6.671 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.775 -9.537 6.630 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.506 -9.104 5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.104 -9.632 4.884 1.00 0.00 H new ATOM 948 N ALA A 60 4.455 -5.558 1.679 1.00 0.00 N ATOM 949 CA ALA A 60 4.120 -4.849 0.456 1.00 0.00 C ATOM 950 C ALA A 60 4.440 -5.738 -0.748 1.00 0.00 C ATOM 951 O ALA A 60 3.588 -5.953 -1.609 1.00 0.00 O ATOM 952 CB ALA A 60 4.874 -3.518 0.414 1.00 0.00 C ATOM 0 H ALA A 60 4.874 -4.979 2.407 1.00 0.00 H new ATOM 0 HA ALA A 60 3.054 -4.621 0.424 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.623 -2.986 -0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.590 -2.912 1.274 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.947 -3.707 0.442 1.00 0.00 H new ATOM 958 N GLU A 61 5.670 -6.229 -0.770 1.00 0.00 N ATOM 959 CA GLU A 61 6.113 -7.090 -1.854 1.00 0.00 C ATOM 960 C GLU A 61 5.129 -8.245 -2.050 1.00 0.00 C ATOM 961 O GLU A 61 4.754 -8.561 -3.179 1.00 0.00 O ATOM 962 CB GLU A 61 7.528 -7.612 -1.596 1.00 0.00 C ATOM 963 CG GLU A 61 8.425 -6.509 -1.033 1.00 0.00 C ATOM 964 CD GLU A 61 9.832 -6.589 -1.629 1.00 0.00 C ATOM 965 OE1 GLU A 61 9.978 -6.170 -2.798 1.00 0.00 O ATOM 966 OE2 GLU A 61 10.730 -7.067 -0.902 1.00 0.00 O ATOM 0 H GLU A 61 6.374 -6.047 -0.055 1.00 0.00 H new ATOM 0 HA GLU A 61 6.140 -6.502 -2.772 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.489 -8.447 -0.896 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.954 -7.993 -2.524 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.989 -5.534 -1.251 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.480 -6.598 0.052 1.00 0.00 H new ATOM 973 N GLU A 62 4.739 -8.844 -0.935 1.00 0.00 N ATOM 974 CA GLU A 62 3.806 -9.957 -0.970 1.00 0.00 C ATOM 975 C GLU A 62 2.398 -9.460 -1.303 1.00 0.00 C ATOM 976 O GLU A 62 1.638 -10.147 -1.984 1.00 0.00 O ATOM 977 CB GLU A 62 3.817 -10.725 0.354 1.00 0.00 C ATOM 978 CG GLU A 62 2.738 -11.808 0.368 1.00 0.00 C ATOM 979 CD GLU A 62 3.362 -13.205 0.326 1.00 0.00 C ATOM 980 OE1 GLU A 62 4.421 -13.373 0.969 1.00 0.00 O ATOM 981 OE2 GLU A 62 2.765 -14.073 -0.347 1.00 0.00 O ATOM 0 H GLU A 62 5.052 -8.579 -0.001 1.00 0.00 H new ATOM 0 HA GLU A 62 4.122 -10.645 -1.754 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.796 -11.180 0.507 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.654 -10.034 1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.127 -11.706 1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.075 -11.676 -0.487 1.00 0.00 H new ATOM 988 N GLN A 63 2.093 -8.269 -0.808 1.00 0.00 N ATOM 989 CA GLN A 63 0.790 -7.672 -1.045 1.00 0.00 C ATOM 990 C GLN A 63 0.574 -7.446 -2.543 1.00 0.00 C ATOM 991 O GLN A 63 -0.513 -7.698 -3.061 1.00 0.00 O ATOM 992 CB GLN A 63 0.637 -6.364 -0.266 1.00 0.00 C ATOM 993 CG GLN A 63 -0.245 -5.372 -1.028 1.00 0.00 C ATOM 994 CD GLN A 63 -1.005 -4.460 -0.062 1.00 0.00 C ATOM 995 OE1 GLN A 63 -0.486 -4.010 0.946 1.00 0.00 O ATOM 996 NE2 GLN A 63 -2.260 -4.215 -0.425 1.00 0.00 N ATOM 0 H GLN A 63 2.726 -7.702 -0.244 1.00 0.00 H new ATOM 0 HA GLN A 63 0.025 -8.362 -0.687 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.200 -6.568 0.712 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.619 -5.924 -0.091 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.372 -4.769 -1.694 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.953 -5.915 -1.654 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.632 -4.624 -1.282 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.851 -3.618 0.154 1.00 0.00 H new ATOM 1005 N GLN A 64 1.625 -6.974 -3.196 1.00 0.00 N ATOM 1006 CA GLN A 64 1.564 -6.712 -4.624 1.00 0.00 C ATOM 1007 C GLN A 64 1.648 -8.023 -5.408 1.00 0.00 C ATOM 1008 O GLN A 64 1.209 -8.094 -6.555 1.00 0.00 O ATOM 1009 CB GLN A 64 2.670 -5.746 -5.052 1.00 0.00 C ATOM 1010 CG GLN A 64 2.532 -4.402 -4.333 1.00 0.00 C ATOM 1011 CD GLN A 64 3.826 -3.592 -4.432 1.00 0.00 C ATOM 1012 OE1 GLN A 64 4.694 -3.837 -3.455 1.00 0.00 O flip ATOM 1013 NE2 GLN A 64 4.024 -2.797 -5.336 1.00 0.00 N flip ATOM 0 H GLN A 64 2.525 -6.766 -2.762 1.00 0.00 H new ATOM 0 HA GLN A 64 0.608 -6.239 -4.846 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.644 -6.182 -4.832 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.626 -5.592 -6.130 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.710 -3.835 -4.769 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.283 -4.570 -3.285 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.315 -2.656 -6.056 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.899 -2.273 -5.372 1.00 0.00 H new ATOM 1022 N ARG A 65 2.215 -9.029 -4.758 1.00 0.00 N ATOM 1023 CA ARG A 65 2.362 -10.334 -5.381 1.00 0.00 C ATOM 1024 C ARG A 65 0.991 -10.982 -5.585 1.00 0.00 C ATOM 1025 O ARG A 65 0.737 -11.593 -6.622 1.00 0.00 O ATOM 1026 CB ARG A 65 3.232 -11.257 -4.526 1.00 0.00 C ATOM 1027 CG ARG A 65 2.764 -12.710 -4.636 1.00 0.00 C ATOM 1028 CD ARG A 65 3.795 -13.665 -4.032 1.00 0.00 C ATOM 1029 NE ARG A 65 3.179 -14.989 -3.793 1.00 0.00 N ATOM 1030 CZ ARG A 65 3.855 -16.068 -3.375 1.00 0.00 C ATOM 1031 NH1 ARG A 65 5.173 -15.986 -3.147 1.00 0.00 N ATOM 1032 NH2 ARG A 65 3.213 -17.229 -3.184 1.00 0.00 N ATOM 0 H ARG A 65 2.578 -8.967 -3.807 1.00 0.00 H new ATOM 0 HA ARG A 65 2.846 -10.188 -6.347 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.272 -11.181 -4.845 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.194 -10.937 -3.485 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.809 -12.828 -4.123 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.597 -12.964 -5.683 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.646 -13.767 -4.705 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.176 -13.257 -3.096 1.00 0.00 H new ATOM 0 HE ARG A 65 2.177 -15.087 -3.957 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.662 -15.102 -3.292 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.688 -16.807 -2.829 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.210 -17.291 -3.357 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.728 -18.050 -2.866 1.00 0.00 H new ATOM 1046 N GLN A 66 0.143 -10.827 -4.579 1.00 0.00 N ATOM 1047 CA GLN A 66 -1.196 -11.389 -4.635 1.00 0.00 C ATOM 1048 C GLN A 66 -2.075 -10.573 -5.585 1.00 0.00 C ATOM 1049 O GLN A 66 -2.805 -11.137 -6.399 1.00 0.00 O ATOM 1050 CB GLN A 66 -1.818 -11.464 -3.240 1.00 0.00 C ATOM 1051 CG GLN A 66 -1.134 -12.537 -2.390 1.00 0.00 C ATOM 1052 CD GLN A 66 -1.637 -12.497 -0.946 1.00 0.00 C ATOM 1053 OE1 GLN A 66 -2.471 -13.284 -0.530 1.00 0.00 O ATOM 1054 NE2 GLN A 66 -1.086 -11.537 -0.208 1.00 0.00 N ATOM 0 H GLN A 66 0.357 -10.320 -3.720 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.126 -12.406 -5.020 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.732 -10.496 -2.747 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -2.882 -11.685 -3.324 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.325 -13.521 -2.818 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.055 -12.386 -2.407 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.393 -10.912 -0.619 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.356 -11.426 0.769 1.00 0.00 H new ATOM 1063 N TYR A 67 -1.976 -9.259 -5.450 1.00 0.00 N ATOM 1064 CA TYR A 67 -2.753 -8.360 -6.286 1.00 0.00 C ATOM 1065 C TYR A 67 -2.634 -8.743 -7.762 1.00 0.00 C ATOM 1066 O TYR A 67 -3.548 -8.496 -8.547 1.00 0.00 O ATOM 1067 CB TYR A 67 -2.151 -6.969 -6.082 1.00 0.00 C ATOM 1068 CG TYR A 67 -2.658 -5.920 -7.074 1.00 0.00 C ATOM 1069 CD1 TYR A 67 -2.293 -5.994 -8.403 1.00 0.00 C ATOM 1070 CD2 TYR A 67 -3.480 -4.900 -6.640 1.00 0.00 C ATOM 1071 CE1 TYR A 67 -2.770 -5.007 -9.337 1.00 0.00 C ATOM 1072 CE2 TYR A 67 -3.957 -3.913 -7.574 1.00 0.00 C ATOM 1073 CZ TYR A 67 -3.578 -4.015 -8.876 1.00 0.00 C ATOM 1074 OH TYR A 67 -4.029 -3.083 -9.758 1.00 0.00 O ATOM 0 H TYR A 67 -1.369 -8.795 -4.774 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.809 -8.402 -6.017 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.373 -6.633 -5.069 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.066 -7.038 -6.165 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.650 -6.792 -8.743 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.766 -4.842 -5.600 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.492 -5.054 -10.380 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.601 -3.110 -7.248 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.597 -2.436 -9.289 1.00 0.00 H new ATOM 1084 N LYS A 68 -1.499 -9.341 -8.095 1.00 0.00 N ATOM 1085 CA LYS A 68 -1.248 -9.761 -9.464 1.00 0.00 C ATOM 1086 C LYS A 68 -2.239 -10.862 -9.844 1.00 0.00 C ATOM 1087 O LYS A 68 -3.010 -10.709 -10.790 1.00 0.00 O ATOM 1088 CB LYS A 68 0.217 -10.163 -9.640 1.00 0.00 C ATOM 1089 CG LYS A 68 1.140 -8.950 -9.506 1.00 0.00 C ATOM 1090 CD LYS A 68 1.421 -8.321 -10.872 1.00 0.00 C ATOM 1091 CE LYS A 68 1.947 -6.892 -10.720 1.00 0.00 C ATOM 1092 NZ LYS A 68 3.387 -6.904 -10.376 1.00 0.00 N ATOM 0 H LYS A 68 -0.743 -9.545 -7.441 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.412 -8.933 -10.154 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.484 -10.912 -8.894 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.356 -10.624 -10.618 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.682 -8.211 -8.849 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.078 -9.252 -9.041 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.150 -8.925 -11.411 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.509 -8.315 -11.468 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.793 -6.341 -11.648 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.386 -6.372 -9.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.728 -5.927 -10.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.525 -7.412 -9.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.920 -7.382 -11.130 1.00 0.00 H new ATOM 1106 N VAL A 69 -2.185 -11.949 -9.088 1.00 0.00 N ATOM 1107 CA VAL A 69 -3.069 -13.076 -9.334 1.00 0.00 C ATOM 1108 C VAL A 69 -4.519 -12.639 -9.118 1.00 0.00 C ATOM 1109 O VAL A 69 -5.404 -13.008 -9.889 1.00 0.00 O ATOM 1110 CB VAL A 69 -2.663 -14.261 -8.454 1.00 0.00 C ATOM 1111 CG1 VAL A 69 -1.141 -14.360 -8.336 1.00 0.00 C ATOM 1112 CG2 VAL A 69 -3.316 -14.166 -7.074 1.00 0.00 C ATOM 0 H VAL A 69 -1.543 -12.073 -8.305 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.982 -13.411 -10.368 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.021 -15.173 -8.932 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.879 -15.210 -7.706 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.707 -14.496 -9.327 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.750 -13.445 -7.891 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.012 -15.019 -6.468 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.002 -13.244 -6.586 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.400 -14.167 -7.184 1.00 0.00 H new ATOM 1122 N HIS A 70 -4.717 -11.860 -8.065 1.00 0.00 N ATOM 1123 CA HIS A 70 -6.045 -11.369 -7.737 1.00 0.00 C ATOM 1124 C HIS A 70 -6.702 -10.789 -8.992 1.00 0.00 C ATOM 1125 O HIS A 70 -7.884 -11.020 -9.241 1.00 0.00 O ATOM 1126 CB HIS A 70 -5.984 -10.366 -6.583 1.00 0.00 C ATOM 1127 CG HIS A 70 -5.714 -10.995 -5.237 1.00 0.00 C ATOM 1128 ND1 HIS A 70 -6.106 -10.412 -4.045 1.00 0.00 N ATOM 1129 CD2 HIS A 70 -5.089 -12.162 -4.908 1.00 0.00 C ATOM 1130 CE1 HIS A 70 -5.728 -11.200 -3.049 1.00 0.00 C ATOM 1131 NE2 HIS A 70 -5.097 -12.284 -3.586 1.00 0.00 N ATOM 0 H HIS A 70 -3.980 -11.557 -7.428 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.667 -12.195 -7.391 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.205 -9.633 -6.793 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -6.928 -9.823 -6.536 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.660 -12.867 -5.605 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -5.891 -11.016 -1.997 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.697 -13.060 -3.059 1.00 0.00 H new ATOM 1139 N LEU A 71 -5.906 -10.048 -9.749 1.00 0.00 N ATOM 1140 CA LEU A 71 -6.395 -9.434 -10.971 1.00 0.00 C ATOM 1141 C LEU A 71 -6.903 -10.524 -11.917 1.00 0.00 C ATOM 1142 O LEU A 71 -7.949 -10.368 -12.545 1.00 0.00 O ATOM 1143 CB LEU A 71 -5.320 -8.536 -11.587 1.00 0.00 C ATOM 1144 CG LEU A 71 -5.825 -7.300 -12.333 1.00 0.00 C ATOM 1145 CD1 LEU A 71 -6.775 -6.481 -11.457 1.00 0.00 C ATOM 1146 CD2 LEU A 71 -4.658 -6.459 -12.854 1.00 0.00 C ATOM 0 H LEU A 71 -4.926 -9.859 -9.539 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.240 -8.779 -10.757 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.650 -8.208 -10.792 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.726 -9.135 -12.277 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.394 -7.634 -13.201 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.119 -5.608 -12.011 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.632 -7.094 -11.177 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.252 -6.156 -10.558 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.045 -5.586 -13.380 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.042 -6.134 -12.016 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.055 -7.057 -13.537 1.00 0.00 H new ATOM 1158 N ASP A 72 -6.138 -11.603 -11.990 1.00 0.00 N ATOM 1159 CA ASP A 72 -6.496 -12.719 -12.849 1.00 0.00 C ATOM 1160 C ASP A 72 -7.762 -13.386 -12.308 1.00 0.00 C ATOM 1161 O ASP A 72 -8.701 -13.647 -13.059 1.00 0.00 O ATOM 1162 CB ASP A 72 -5.385 -13.769 -12.880 1.00 0.00 C ATOM 1163 CG ASP A 72 -4.687 -13.931 -14.232 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -3.816 -13.084 -14.526 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -5.039 -14.899 -14.940 1.00 0.00 O ATOM 0 H ASP A 72 -5.271 -11.728 -11.468 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.654 -12.333 -13.856 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.637 -13.508 -12.131 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.806 -14.731 -12.588 1.00 0.00 H new ATOM 1170 N LEU A 73 -7.748 -13.644 -11.008 1.00 0.00 N ATOM 1171 CA LEU A 73 -8.883 -14.276 -10.358 1.00 0.00 C ATOM 1172 C LEU A 73 -10.155 -13.491 -10.686 1.00 0.00 C ATOM 1173 O LEU A 73 -11.245 -14.060 -10.732 1.00 0.00 O ATOM 1174 CB LEU A 73 -8.625 -14.429 -8.858 1.00 0.00 C ATOM 1175 CG LEU A 73 -7.275 -15.035 -8.468 1.00 0.00 C ATOM 1176 CD1 LEU A 73 -7.317 -15.597 -7.046 1.00 0.00 C ATOM 1177 CD2 LEU A 73 -6.832 -16.087 -9.487 1.00 0.00 C ATOM 0 H LEU A 73 -6.968 -13.427 -10.388 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.025 -15.288 -10.738 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.708 -13.447 -8.393 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.415 -15.049 -8.435 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.528 -14.241 -8.479 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.345 -16.022 -6.794 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.556 -14.797 -6.345 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.079 -16.373 -6.984 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.870 -16.502 -9.187 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.573 -16.885 -9.532 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.737 -15.625 -10.469 1.00 0.00 H new ATOM 1189 N TRP A 74 -9.974 -12.197 -10.905 1.00 0.00 N ATOM 1190 CA TRP A 74 -11.094 -11.329 -11.228 1.00 0.00 C ATOM 1191 C TRP A 74 -11.481 -11.579 -12.687 1.00 0.00 C ATOM 1192 O TRP A 74 -12.645 -11.437 -13.057 1.00 0.00 O ATOM 1193 CB TRP A 74 -10.753 -9.865 -10.942 1.00 0.00 C ATOM 1194 CG TRP A 74 -11.694 -8.864 -11.614 1.00 0.00 C ATOM 1195 CD1 TRP A 74 -12.869 -8.405 -11.163 1.00 0.00 C ATOM 1196 CD2 TRP A 74 -11.490 -8.212 -12.885 1.00 0.00 C ATOM 1197 NE1 TRP A 74 -13.436 -7.509 -12.046 1.00 0.00 N ATOM 1198 CE2 TRP A 74 -12.570 -7.388 -13.127 1.00 0.00 C ATOM 1199 CE3 TRP A 74 -10.428 -8.315 -13.801 1.00 0.00 C ATOM 1200 CZ2 TRP A 74 -12.693 -6.604 -14.280 1.00 0.00 C ATOM 1201 CZ3 TRP A 74 -10.566 -7.525 -14.948 1.00 0.00 C ATOM 1202 CH2 TRP A 74 -11.647 -6.691 -15.207 1.00 0.00 C ATOM 0 H TRP A 74 -9.069 -11.729 -10.865 1.00 0.00 H new ATOM 0 HA TRP A 74 -11.953 -11.556 -10.597 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -10.775 -9.701 -9.865 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -9.733 -9.669 -11.274 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -13.317 -8.700 -10.225 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -14.326 -7.025 -11.928 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -9.573 -8.953 -13.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -13.549 -5.966 -14.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -9.777 -7.566 -15.684 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -11.680 -6.113 -16.119 1.00 0.00 H new ATOM 1213 N VAL A 75 -10.482 -11.946 -13.476 1.00 0.00 N ATOM 1214 CA VAL A 75 -10.703 -12.217 -14.886 1.00 0.00 C ATOM 1215 C VAL A 75 -11.329 -13.604 -15.043 1.00 0.00 C ATOM 1216 O VAL A 75 -12.139 -13.826 -15.942 1.00 0.00 O ATOM 1217 CB VAL A 75 -9.393 -12.061 -15.661 1.00 0.00 C ATOM 1218 CG1 VAL A 75 -9.572 -12.461 -17.127 1.00 0.00 C ATOM 1219 CG2 VAL A 75 -8.853 -10.635 -15.544 1.00 0.00 C ATOM 0 H VAL A 75 -9.517 -12.062 -13.165 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.402 -11.495 -15.308 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.659 -12.734 -15.217 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.626 -12.341 -17.655 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.890 -13.502 -17.184 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.328 -11.825 -17.588 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.922 -10.552 -16.104 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.584 -9.935 -15.949 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.668 -10.401 -14.496 1.00 0.00 H new ATOM 1229 N LYS A 76 -10.931 -14.502 -14.154 1.00 0.00 N ATOM 1230 CA LYS A 76 -11.443 -15.861 -14.182 1.00 0.00 C ATOM 1231 C LYS A 76 -12.921 -15.853 -13.786 1.00 0.00 C ATOM 1232 O LYS A 76 -13.596 -16.877 -13.875 1.00 0.00 O ATOM 1233 CB LYS A 76 -10.578 -16.777 -13.313 1.00 0.00 C ATOM 1234 CG LYS A 76 -9.154 -16.870 -13.863 1.00 0.00 C ATOM 1235 CD LYS A 76 -8.210 -17.502 -12.838 1.00 0.00 C ATOM 1236 CE LYS A 76 -8.334 -19.027 -12.845 1.00 0.00 C ATOM 1237 NZ LYS A 76 -8.502 -19.540 -11.467 1.00 0.00 N ATOM 0 H LYS A 76 -10.259 -14.315 -13.409 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.385 -16.269 -15.191 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.553 -16.398 -12.291 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.022 -17.772 -13.273 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.152 -17.462 -14.778 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.796 -15.875 -14.127 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -7.182 -17.216 -13.061 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.439 -17.120 -11.843 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.185 -19.326 -13.457 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.446 -19.468 -13.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.585 -20.576 -11.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.677 -19.271 -10.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.363 -19.133 -11.048 1.00 0.00 H new ATOM 1251 N SER A 77 -13.379 -14.687 -13.357 1.00 0.00 N ATOM 1252 CA SER A 77 -14.765 -14.532 -12.948 1.00 0.00 C ATOM 1253 C SER A 77 -15.509 -13.640 -13.944 1.00 0.00 C ATOM 1254 O SER A 77 -16.734 -13.545 -13.902 1.00 0.00 O ATOM 1255 CB SER A 77 -14.860 -13.947 -11.537 1.00 0.00 C ATOM 1256 OG SER A 77 -16.211 -13.812 -11.105 1.00 0.00 O ATOM 0 H SER A 77 -12.815 -13.840 -13.283 1.00 0.00 H new ATOM 0 HA SER A 77 -15.230 -15.518 -12.936 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.319 -14.589 -10.841 1.00 0.00 H new ATOM 0 HB3 SER A 77 -14.373 -12.972 -11.515 1.00 0.00 H new ATOM 0 HG SER A 77 -16.804 -13.795 -11.885 1.00 0.00 H new ATOM 1262 N LEU A 78 -14.736 -13.009 -14.816 1.00 0.00 N ATOM 1263 CA LEU A 78 -15.307 -12.128 -15.821 1.00 0.00 C ATOM 1264 C LEU A 78 -16.038 -12.966 -16.871 1.00 0.00 C ATOM 1265 O LEU A 78 -15.463 -13.892 -17.443 1.00 0.00 O ATOM 1266 CB LEU A 78 -14.229 -11.214 -16.405 1.00 0.00 C ATOM 1267 CG LEU A 78 -13.982 -9.903 -15.655 1.00 0.00 C ATOM 1268 CD1 LEU A 78 -12.942 -9.045 -16.379 1.00 0.00 C ATOM 1269 CD2 LEU A 78 -15.292 -9.146 -15.428 1.00 0.00 C ATOM 0 H LEU A 78 -13.720 -13.090 -14.847 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.046 -11.465 -15.372 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.292 -11.769 -16.444 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.501 -10.976 -17.433 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.575 -10.143 -14.673 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -12.785 -8.119 -15.825 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -12.002 -9.592 -16.445 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.298 -8.812 -17.383 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -15.088 -8.218 -14.893 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.751 -8.917 -16.390 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -15.971 -9.763 -14.839 1.00 0.00 H new ATOM 1281 N SER A 79 -17.295 -12.613 -17.094 1.00 0.00 N ATOM 1282 CA SER A 79 -18.112 -13.320 -18.065 1.00 0.00 C ATOM 1283 C SER A 79 -17.333 -13.500 -19.370 1.00 0.00 C ATOM 1284 O SER A 79 -16.226 -12.985 -19.513 1.00 0.00 O ATOM 1285 CB SER A 79 -19.423 -12.578 -18.328 1.00 0.00 C ATOM 1286 OG SER A 79 -19.395 -11.864 -19.560 1.00 0.00 O ATOM 0 H SER A 79 -17.768 -11.845 -16.618 1.00 0.00 H new ATOM 0 HA SER A 79 -18.358 -14.300 -17.656 1.00 0.00 H new ATOM 0 HB2 SER A 79 -20.247 -13.292 -18.341 1.00 0.00 H new ATOM 0 HB3 SER A 79 -19.616 -11.883 -17.511 1.00 0.00 H new ATOM 0 HG SER A 79 -20.251 -11.405 -19.692 1.00 0.00 H new ATOM 1292 N PRO A 80 -17.960 -14.253 -20.314 1.00 0.00 N ATOM 1293 CA PRO A 80 -17.338 -14.507 -21.602 1.00 0.00 C ATOM 1294 C PRO A 80 -17.404 -13.268 -22.497 1.00 0.00 C ATOM 1295 O PRO A 80 -16.805 -13.241 -23.571 1.00 0.00 O ATOM 1296 CB PRO A 80 -18.094 -15.694 -22.176 1.00 0.00 C ATOM 1297 CG PRO A 80 -19.403 -15.767 -21.407 1.00 0.00 C ATOM 1298 CD PRO A 80 -19.272 -14.879 -20.180 1.00 0.00 C ATOM 0 HA PRO A 80 -16.274 -14.731 -21.518 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.275 -15.563 -23.243 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -17.522 -16.614 -22.061 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -20.232 -15.435 -22.032 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -19.617 -16.795 -21.114 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -20.065 -14.132 -20.145 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -19.341 -15.461 -19.261 1.00 0.00 H new ATOM 1306 N GLN A 81 -18.136 -12.272 -22.021 1.00 0.00 N ATOM 1307 CA GLN A 81 -18.288 -11.032 -22.764 1.00 0.00 C ATOM 1308 C GLN A 81 -17.258 -10.003 -22.295 1.00 0.00 C ATOM 1309 O GLN A 81 -16.491 -9.475 -23.099 1.00 0.00 O ATOM 1310 CB GLN A 81 -19.710 -10.485 -22.633 1.00 0.00 C ATOM 1311 CG GLN A 81 -20.744 -11.541 -23.031 1.00 0.00 C ATOM 1312 CD GLN A 81 -22.118 -11.211 -22.446 1.00 0.00 C ATOM 1313 OE1 GLN A 81 -22.516 -10.062 -22.337 1.00 0.00 O ATOM 1314 NE2 GLN A 81 -22.820 -12.279 -22.078 1.00 0.00 N ATOM 0 H GLN A 81 -18.631 -12.298 -21.129 1.00 0.00 H new ATOM 0 HA GLN A 81 -18.111 -11.239 -23.819 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -19.887 -10.166 -21.606 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -19.824 -9.604 -23.264 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -20.811 -11.598 -24.117 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -20.421 -12.521 -22.680 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -22.428 -13.213 -22.197 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -23.751 -12.164 -21.677 1.00 0.00 H new ATOM 1323 N ASP A 82 -17.275 -9.747 -20.995 1.00 0.00 N ATOM 1324 CA ASP A 82 -16.352 -8.790 -20.409 1.00 0.00 C ATOM 1325 C ASP A 82 -14.916 -9.224 -20.706 1.00 0.00 C ATOM 1326 O ASP A 82 -14.140 -8.464 -21.284 1.00 0.00 O ATOM 1327 CB ASP A 82 -16.520 -8.721 -18.890 1.00 0.00 C ATOM 1328 CG ASP A 82 -17.649 -7.809 -18.404 1.00 0.00 C ATOM 1329 OD1 ASP A 82 -18.819 -8.186 -18.629 1.00 0.00 O ATOM 1330 OD2 ASP A 82 -17.315 -6.756 -17.820 1.00 0.00 O ATOM 0 H ASP A 82 -17.913 -10.186 -20.331 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.563 -7.812 -20.840 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.699 -9.728 -18.513 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.583 -8.379 -18.451 1.00 0.00 H new ATOM 1335 N ARG A 83 -14.604 -10.446 -20.298 1.00 0.00 N ATOM 1336 CA ARG A 83 -13.275 -10.991 -20.514 1.00 0.00 C ATOM 1337 C ARG A 83 -12.860 -10.815 -21.976 1.00 0.00 C ATOM 1338 O ARG A 83 -11.749 -10.371 -22.261 1.00 0.00 O ATOM 1339 CB ARG A 83 -13.223 -12.476 -20.151 1.00 0.00 C ATOM 1340 CG ARG A 83 -12.131 -12.749 -19.115 1.00 0.00 C ATOM 1341 CD ARG A 83 -11.748 -14.231 -19.099 1.00 0.00 C ATOM 1342 NE ARG A 83 -12.645 -14.976 -18.188 1.00 0.00 N ATOM 1343 CZ ARG A 83 -13.806 -15.530 -18.563 1.00 0.00 C ATOM 1344 NH1 ARG A 83 -14.217 -15.427 -19.834 1.00 0.00 N ATOM 1345 NH2 ARG A 83 -14.555 -16.187 -17.668 1.00 0.00 N ATOM 0 H ARG A 83 -15.250 -11.074 -19.819 1.00 0.00 H new ATOM 0 HA ARG A 83 -12.585 -10.447 -19.869 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.189 -12.792 -19.758 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.035 -13.067 -21.047 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.252 -12.145 -19.340 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.479 -12.449 -18.127 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.815 -14.643 -20.106 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.713 -14.344 -18.776 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.362 -15.074 -17.213 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.646 -14.927 -20.516 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -15.101 -15.849 -20.120 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -14.242 -16.266 -16.701 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -15.439 -16.609 -17.954 1.00 0.00 H new ATOM 1359 N ALA A 84 -13.775 -11.173 -22.865 1.00 0.00 N ATOM 1360 CA ALA A 84 -13.518 -11.061 -24.290 1.00 0.00 C ATOM 1361 C ALA A 84 -13.075 -9.633 -24.613 1.00 0.00 C ATOM 1362 O ALA A 84 -12.243 -9.422 -25.494 1.00 0.00 O ATOM 1363 CB ALA A 84 -14.769 -11.474 -25.069 1.00 0.00 C ATOM 0 H ALA A 84 -14.696 -11.541 -22.625 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.712 -11.732 -24.588 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -14.576 -11.390 -26.138 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -15.025 -12.505 -24.826 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -15.599 -10.821 -24.798 1.00 0.00 H new ATOM 1369 N ALA A 85 -13.652 -8.689 -23.884 1.00 0.00 N ATOM 1370 CA ALA A 85 -13.327 -7.287 -24.081 1.00 0.00 C ATOM 1371 C ALA A 85 -12.001 -6.972 -23.386 1.00 0.00 C ATOM 1372 O ALA A 85 -11.095 -6.406 -23.996 1.00 0.00 O ATOM 1373 CB ALA A 85 -14.476 -6.419 -23.566 1.00 0.00 C ATOM 0 H ALA A 85 -14.343 -8.868 -23.156 1.00 0.00 H new ATOM 0 HA ALA A 85 -13.203 -7.068 -25.141 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -14.232 -5.367 -23.714 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -15.388 -6.660 -24.113 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.629 -6.610 -22.504 1.00 0.00 H new ATOM 1379 N TYR A 86 -11.929 -7.353 -22.119 1.00 0.00 N ATOM 1380 CA TYR A 86 -10.729 -7.118 -21.334 1.00 0.00 C ATOM 1381 C TYR A 86 -9.513 -7.787 -21.977 1.00 0.00 C ATOM 1382 O TYR A 86 -8.527 -7.121 -22.291 1.00 0.00 O ATOM 1383 CB TYR A 86 -10.986 -7.759 -19.969 1.00 0.00 C ATOM 1384 CG TYR A 86 -9.762 -7.781 -19.051 1.00 0.00 C ATOM 1385 CD1 TYR A 86 -9.506 -6.712 -18.217 1.00 0.00 C ATOM 1386 CD2 TYR A 86 -8.915 -8.870 -19.057 1.00 0.00 C ATOM 1387 CE1 TYR A 86 -8.353 -6.732 -17.354 1.00 0.00 C ATOM 1388 CE2 TYR A 86 -7.763 -8.891 -18.193 1.00 0.00 C ATOM 1389 CZ TYR A 86 -7.539 -7.821 -17.384 1.00 0.00 C ATOM 1390 OH TYR A 86 -6.451 -7.841 -16.569 1.00 0.00 O ATOM 0 H TYR A 86 -12.682 -7.823 -21.617 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.521 -6.051 -21.262 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.791 -7.218 -19.471 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -11.333 -8.781 -20.119 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -10.170 -5.860 -18.211 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.116 -9.707 -19.710 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.140 -5.901 -16.698 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.092 -9.737 -18.188 1.00 0.00 H new ATOM 0 HH TYR A 86 -5.962 -8.681 -16.696 1.00 0.00 H new ATOM 1400 N LYS A 87 -9.623 -9.095 -22.155 1.00 0.00 N ATOM 1401 CA LYS A 87 -8.545 -9.862 -22.756 1.00 0.00 C ATOM 1402 C LYS A 87 -8.251 -9.312 -24.153 1.00 0.00 C ATOM 1403 O LYS A 87 -7.112 -9.360 -24.616 1.00 0.00 O ATOM 1404 CB LYS A 87 -8.876 -11.355 -22.740 1.00 0.00 C ATOM 1405 CG LYS A 87 -7.780 -12.153 -22.030 1.00 0.00 C ATOM 1406 CD LYS A 87 -6.898 -12.892 -23.039 1.00 0.00 C ATOM 1407 CE LYS A 87 -6.854 -14.390 -22.733 1.00 0.00 C ATOM 1408 NZ LYS A 87 -5.757 -14.694 -21.788 1.00 0.00 N ATOM 0 H LYS A 87 -10.442 -9.643 -21.894 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.631 -9.756 -22.172 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.830 -11.514 -22.237 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.990 -11.717 -23.762 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.167 -11.481 -21.430 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.233 -12.869 -21.344 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.281 -12.734 -24.047 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.888 -12.482 -23.014 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.806 -14.709 -22.309 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.713 -14.952 -23.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.741 -15.715 -21.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.849 -14.408 -22.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.908 -14.173 -20.901 1.00 0.00 H new ATOM 1422 N GLU A 88 -9.297 -8.802 -24.786 1.00 0.00 N ATOM 1423 CA GLU A 88 -9.165 -8.243 -26.121 1.00 0.00 C ATOM 1424 C GLU A 88 -8.196 -7.060 -26.108 1.00 0.00 C ATOM 1425 O GLU A 88 -7.476 -6.832 -27.079 1.00 0.00 O ATOM 1426 CB GLU A 88 -10.528 -7.829 -26.679 1.00 0.00 C ATOM 1427 CG GLU A 88 -10.386 -6.678 -27.676 1.00 0.00 C ATOM 1428 CD GLU A 88 -11.456 -6.761 -28.767 1.00 0.00 C ATOM 1429 OE1 GLU A 88 -11.670 -7.886 -29.267 1.00 0.00 O ATOM 1430 OE2 GLU A 88 -12.036 -5.697 -29.075 1.00 0.00 O ATOM 0 H GLU A 88 -10.240 -8.764 -24.399 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.759 -9.013 -26.777 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.999 -8.682 -27.168 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.183 -7.528 -25.862 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.469 -5.726 -27.152 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.396 -6.706 -28.130 1.00 0.00 H new ATOM 1437 N TYR A 89 -8.208 -6.338 -24.997 1.00 0.00 N ATOM 1438 CA TYR A 89 -7.339 -5.184 -24.845 1.00 0.00 C ATOM 1439 C TYR A 89 -5.962 -5.600 -24.323 1.00 0.00 C ATOM 1440 O TYR A 89 -4.950 -5.002 -24.686 1.00 0.00 O ATOM 1441 CB TYR A 89 -8.012 -4.282 -23.809 1.00 0.00 C ATOM 1442 CG TYR A 89 -7.050 -3.334 -23.089 1.00 0.00 C ATOM 1443 CD1 TYR A 89 -6.763 -2.099 -23.634 1.00 0.00 C ATOM 1444 CD2 TYR A 89 -6.470 -3.714 -21.896 1.00 0.00 C ATOM 1445 CE1 TYR A 89 -5.858 -1.207 -22.957 1.00 0.00 C ATOM 1446 CE2 TYR A 89 -5.565 -2.822 -21.219 1.00 0.00 C ATOM 1447 CZ TYR A 89 -5.303 -1.612 -21.783 1.00 0.00 C ATOM 1448 OH TYR A 89 -4.448 -0.770 -21.144 1.00 0.00 O ATOM 0 H TYR A 89 -8.806 -6.530 -24.193 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.194 -4.684 -25.803 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -8.785 -3.693 -24.303 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -8.512 -4.907 -23.069 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -7.217 -1.802 -24.568 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.695 -4.681 -21.470 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.625 -0.238 -23.372 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -5.105 -3.107 -20.285 1.00 0.00 H new ATOM 0 HH TYR A 89 -4.130 -1.191 -20.318 1.00 0.00 H new ATOM 1458 N ILE A 90 -5.968 -6.622 -23.480 1.00 0.00 N ATOM 1459 CA ILE A 90 -4.732 -7.124 -22.905 1.00 0.00 C ATOM 1460 C ILE A 90 -3.794 -7.569 -24.029 1.00 0.00 C ATOM 1461 O ILE A 90 -2.642 -7.143 -24.086 1.00 0.00 O ATOM 1462 CB ILE A 90 -5.025 -8.221 -21.879 1.00 0.00 C ATOM 1463 CG1 ILE A 90 -5.995 -7.723 -20.806 1.00 0.00 C ATOM 1464 CG2 ILE A 90 -3.730 -8.766 -21.273 1.00 0.00 C ATOM 1465 CD1 ILE A 90 -5.238 -7.180 -19.592 1.00 0.00 C ATOM 0 H ILE A 90 -6.809 -7.116 -23.181 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.220 -6.334 -22.356 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.512 -9.049 -22.394 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.632 -6.942 -21.221 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.650 -8.538 -20.496 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.967 -9.544 -20.547 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.107 -9.185 -22.063 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -3.193 -7.958 -20.776 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.951 -6.833 -18.844 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.620 -7.970 -19.165 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -4.603 -6.350 -19.901 1.00 0.00 H new