USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 486 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 38 MET CE :methyl -113:sc= -0.352 (180deg=-3.52!) USER MOD Set 1.2: A 44 MET CE :methyl 153:sc= -0.278 (180deg=-1.13) USER MOD Set 2.1: A 3 MET CE :methyl 167:sc= 0 (180deg=-0.0663) USER MOD Set 2.2: A 9 THR OG1 : rot -109:sc= -0.564! USER MOD Set 2.3: A 19 HIS : no HD1:sc= 2.04 K(o=1.5,f=-18!) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0148 USER MOD Single : A 5 ASN : amide:sc= -6.16! K(o=-6.2!,f=-1.2) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot -40:sc= -2.45! USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot -32:sc= 0.555 USER MOD Single : A 17 LYS NZ :NH3+ -177:sc= 1.23 (180deg=1.1) USER MOD Single : A 22 LYS NZ :NH3+ 168:sc= 0.512 (180deg=0.231) USER MOD Single : A 25 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0866) USER MOD Single : A 26 MET CE :methyl -109:sc= -0.659 (180deg=-3.72!) USER MOD Single : A 28 MET CE :methyl 152:sc= -0.233 (180deg=-1.39) USER MOD Single : A 30 ASN : amide:sc= -3.34! C(o=-3.3!,f=-10!) USER MOD Single : A 31 LYS NZ :NH3+ -167:sc= 1.21 (180deg=1.02) USER MOD Single : A 34 LYS NZ :NH3+ -167:sc= 0.82 (180deg=0.67) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -178:sc= -0.466 (180deg=-0.47) USER MOD Single : A 37 ASN : amide:sc= -0.37 X(o=-0.37,f=-0.19) USER MOD Single : A 42 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0826) USER MOD Single : A 46 THR OG1 : rot 154:sc= 1.71 USER MOD Single : A 50 THR OG1 : rot 77:sc= 1.29 USER MOD Single : A 51 LYS NZ :NH3+ 159:sc= -0.155 (180deg=-0.76) USER MOD Single : A 54 MET CE :methyl -167:sc= -0.812 (180deg=-1.53) USER MOD Single : A 55 LYS NZ :NH3+ 174:sc= 1.31 (180deg=1.19) USER MOD Single : A 57 ASN : amide:sc= 0.486 K(o=0.49,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 31 N MET A 3 10.378 1.872 9.870 1.00 0.96 N ATOM 32 CA MET A 3 8.951 1.961 10.111 1.00 0.96 C ATOM 33 C MET A 3 8.574 3.221 10.882 1.00 0.91 C ATOM 34 O MET A 3 7.419 3.396 11.262 1.00 1.26 O ATOM 35 CB MET A 3 8.478 0.728 10.867 1.00 1.43 C ATOM 36 CG MET A 3 8.972 -0.577 10.263 1.00 1.59 C ATOM 37 SD MET A 3 7.759 -1.903 10.366 1.00 2.01 S ATOM 38 CE MET A 3 6.606 -1.389 9.095 1.00 2.17 C ATOM 0 HA MET A 3 8.457 2.013 9.141 1.00 0.96 H new ATOM 0 HB2 MET A 3 8.817 0.793 11.901 1.00 1.43 H new ATOM 0 HB3 MET A 3 7.388 0.720 10.889 1.00 1.43 H new ATOM 0 HG2 MET A 3 9.233 -0.411 9.218 1.00 1.59 H new ATOM 0 HG3 MET A 3 9.884 -0.886 10.774 1.00 1.59 H new ATOM 0 HE1 MET A 3 5.924 -2.209 8.870 1.00 2.17 H new ATOM 0 HE2 MET A 3 6.036 -0.529 9.447 1.00 2.17 H new ATOM 0 HE3 MET A 3 7.156 -1.116 8.194 1.00 2.17 H new ATOM 48 N SER A 4 9.536 4.106 11.085 1.00 0.78 N ATOM 49 CA SER A 4 9.284 5.349 11.803 1.00 0.78 C ATOM 50 C SER A 4 8.598 6.356 10.892 1.00 0.72 C ATOM 51 O SER A 4 7.869 7.235 11.344 1.00 0.81 O ATOM 52 CB SER A 4 10.596 5.930 12.334 1.00 0.86 C ATOM 53 OG SER A 4 11.576 5.983 11.310 1.00 1.47 O ATOM 0 H SER A 4 10.497 3.989 10.764 1.00 0.78 H new ATOM 0 HA SER A 4 8.627 5.135 12.646 1.00 0.78 H new ATOM 0 HB2 SER A 4 10.422 6.931 12.729 1.00 0.86 H new ATOM 0 HB3 SER A 4 10.960 5.320 13.161 1.00 0.86 H new ATOM 0 HG SER A 4 12.406 6.359 11.671 1.00 1.47 H new ATOM 59 N ASN A 5 8.830 6.208 9.596 1.00 0.64 N ATOM 60 CA ASN A 5 8.257 7.113 8.613 1.00 0.64 C ATOM 61 C ASN A 5 7.106 6.454 7.880 1.00 0.57 C ATOM 62 O ASN A 5 6.567 6.999 6.923 1.00 0.68 O ATOM 63 CB ASN A 5 9.312 7.578 7.606 1.00 0.69 C ATOM 64 CG ASN A 5 10.139 6.442 7.008 1.00 1.19 C ATOM 65 OD1 ASN A 5 11.310 6.628 6.692 1.00 1.89 O ATOM 66 ND2 ASN A 5 9.543 5.269 6.838 1.00 1.24 N ATOM 0 H ASN A 5 9.412 5.469 9.201 1.00 0.64 H new ATOM 0 HA ASN A 5 7.883 7.984 9.151 1.00 0.64 H new ATOM 0 HB2 ASN A 5 8.817 8.118 6.799 1.00 0.69 H new ATOM 0 HB3 ASN A 5 9.983 8.283 8.097 1.00 0.69 H new ATOM 0 HD21 ASN A 5 10.060 4.488 6.434 1.00 1.24 H new ATOM 0 HD22 ASN A 5 8.568 5.148 7.112 1.00 1.24 H new ATOM 73 N VAL A 6 6.764 5.264 8.316 1.00 0.44 N ATOM 74 CA VAL A 6 5.691 4.514 7.702 1.00 0.40 C ATOM 75 C VAL A 6 4.448 4.572 8.572 1.00 0.40 C ATOM 76 O VAL A 6 4.446 4.073 9.697 1.00 0.47 O ATOM 77 CB VAL A 6 6.095 3.046 7.477 1.00 0.43 C ATOM 78 CG1 VAL A 6 4.922 2.254 6.942 1.00 0.98 C ATOM 79 CG2 VAL A 6 7.268 2.953 6.519 1.00 1.25 C ATOM 0 H VAL A 6 7.216 4.791 9.099 1.00 0.44 H new ATOM 0 HA VAL A 6 5.479 4.966 6.733 1.00 0.40 H new ATOM 0 HB VAL A 6 6.397 2.624 8.436 1.00 0.43 H new ATOM 0 HG11 VAL A 6 5.223 1.218 6.788 1.00 0.98 H new ATOM 0 HG12 VAL A 6 4.101 2.291 7.658 1.00 0.98 H new ATOM 0 HG13 VAL A 6 4.596 2.682 5.994 1.00 0.98 H new ATOM 0 HG21 VAL A 6 7.537 1.907 6.374 1.00 1.25 H new ATOM 0 HG22 VAL A 6 6.991 3.393 5.561 1.00 1.25 H new ATOM 0 HG23 VAL A 6 8.120 3.493 6.933 1.00 1.25 H new ATOM 89 N VAL A 7 3.397 5.189 8.052 1.00 0.38 N ATOM 90 CA VAL A 7 2.153 5.313 8.808 1.00 0.41 C ATOM 91 C VAL A 7 1.346 4.016 8.764 1.00 0.37 C ATOM 92 O VAL A 7 0.540 3.746 9.659 1.00 0.42 O ATOM 93 CB VAL A 7 1.279 6.504 8.337 1.00 0.52 C ATOM 94 CG1 VAL A 7 1.872 7.816 8.825 1.00 0.94 C ATOM 95 CG2 VAL A 7 1.131 6.530 6.821 1.00 1.03 C ATOM 0 H VAL A 7 3.376 5.608 7.122 1.00 0.38 H new ATOM 0 HA VAL A 7 2.444 5.514 9.839 1.00 0.41 H new ATOM 0 HB VAL A 7 0.286 6.374 8.766 1.00 0.52 H new ATOM 0 HG11 VAL A 7 1.249 8.645 8.488 1.00 0.94 H new ATOM 0 HG12 VAL A 7 1.914 7.814 9.914 1.00 0.94 H new ATOM 0 HG13 VAL A 7 2.879 7.932 8.423 1.00 0.94 H new ATOM 0 HG21 VAL A 7 0.512 7.379 6.530 1.00 1.03 H new ATOM 0 HG22 VAL A 7 2.115 6.624 6.361 1.00 1.03 H new ATOM 0 HG23 VAL A 7 0.660 5.606 6.485 1.00 1.03 H new ATOM 105 N LYS A 8 1.582 3.206 7.736 1.00 0.34 N ATOM 106 CA LYS A 8 0.944 1.898 7.628 1.00 0.35 C ATOM 107 C LYS A 8 1.598 1.065 6.536 1.00 0.31 C ATOM 108 O LYS A 8 1.917 1.565 5.459 1.00 0.35 O ATOM 109 CB LYS A 8 -0.558 2.032 7.355 1.00 0.44 C ATOM 110 CG LYS A 8 -1.293 0.700 7.299 1.00 0.50 C ATOM 111 CD LYS A 8 -1.144 -0.071 8.599 1.00 0.57 C ATOM 112 CE LYS A 8 -1.795 -1.443 8.511 1.00 1.01 C ATOM 113 NZ LYS A 8 -1.456 -2.298 9.681 1.00 1.41 N ATOM 0 H LYS A 8 2.211 3.433 6.966 1.00 0.34 H new ATOM 0 HA LYS A 8 1.075 1.391 8.584 1.00 0.35 H new ATOM 0 HB2 LYS A 8 -1.005 2.651 8.133 1.00 0.44 H new ATOM 0 HB3 LYS A 8 -0.701 2.555 6.410 1.00 0.44 H new ATOM 0 HG2 LYS A 8 -2.350 0.874 7.097 1.00 0.50 H new ATOM 0 HG3 LYS A 8 -0.905 0.103 6.474 1.00 0.50 H new ATOM 0 HD2 LYS A 8 -0.086 -0.184 8.837 1.00 0.57 H new ATOM 0 HD3 LYS A 8 -1.596 0.496 9.413 1.00 0.57 H new ATOM 0 HE2 LYS A 8 -2.877 -1.327 8.448 1.00 1.01 H new ATOM 0 HE3 LYS A 8 -1.474 -1.938 7.595 1.00 1.01 H new ATOM 0 HZ1 LYS A 8 -1.920 -3.223 9.581 1.00 1.41 H new ATOM 0 HZ2 LYS A 8 -0.426 -2.431 9.727 1.00 1.41 H new ATOM 0 HZ3 LYS A 8 -1.785 -1.838 10.554 1.00 1.41 H new ATOM 127 N THR A 9 1.801 -0.202 6.835 1.00 0.33 N ATOM 128 CA THR A 9 2.343 -1.148 5.881 1.00 0.32 C ATOM 129 C THR A 9 1.290 -2.201 5.537 1.00 0.35 C ATOM 130 O THR A 9 0.500 -2.603 6.392 1.00 0.39 O ATOM 131 CB THR A 9 3.609 -1.811 6.452 1.00 0.33 C ATOM 132 OG1 THR A 9 4.654 -0.840 6.568 1.00 0.40 O ATOM 133 CG2 THR A 9 4.077 -2.984 5.602 1.00 0.33 C ATOM 0 H THR A 9 1.594 -0.606 7.749 1.00 0.33 H new ATOM 0 HA THR A 9 2.616 -0.618 4.968 1.00 0.32 H new ATOM 0 HB THR A 9 3.359 -2.204 7.437 1.00 0.33 H new ATOM 0 HG1 THR A 9 5.343 -1.019 5.895 1.00 0.40 H new ATOM 0 HG21 THR A 9 4.973 -3.419 6.045 1.00 0.33 H new ATOM 0 HG22 THR A 9 3.291 -3.738 5.558 1.00 0.33 H new ATOM 0 HG23 THR A 9 4.303 -2.636 4.594 1.00 0.33 H new ATOM 141 N TYR A 10 1.274 -2.625 4.285 1.00 0.37 N ATOM 142 CA TYR A 10 0.310 -3.594 3.813 1.00 0.42 C ATOM 143 C TYR A 10 0.971 -4.817 3.261 1.00 0.38 C ATOM 144 O TYR A 10 1.919 -4.747 2.486 1.00 0.35 O ATOM 145 CB TYR A 10 -0.620 -2.976 2.781 1.00 0.47 C ATOM 146 CG TYR A 10 -1.664 -2.122 3.427 1.00 0.60 C ATOM 147 CD1 TYR A 10 -2.593 -2.654 4.306 1.00 0.70 C ATOM 148 CD2 TYR A 10 -1.731 -0.777 3.125 1.00 0.68 C ATOM 149 CE1 TYR A 10 -3.564 -1.852 4.875 1.00 0.84 C ATOM 150 CE2 TYR A 10 -2.691 0.030 3.676 1.00 0.82 C ATOM 151 CZ TYR A 10 -3.586 -0.578 4.692 1.00 0.91 C ATOM 152 OH TYR A 10 -4.585 0.297 5.108 1.00 1.06 O ATOM 0 H TYR A 10 1.929 -2.306 3.571 1.00 0.37 H new ATOM 0 HA TYR A 10 -0.283 -3.903 4.674 1.00 0.42 H new ATOM 0 HB2 TYR A 10 -0.040 -2.376 2.080 1.00 0.47 H new ATOM 0 HB3 TYR A 10 -1.100 -3.766 2.203 1.00 0.47 H new ATOM 0 HD1 TYR A 10 -2.558 -3.706 4.549 1.00 0.70 H new ATOM 0 HD2 TYR A 10 -1.012 -0.352 2.440 1.00 0.68 H new ATOM 0 HE1 TYR A 10 -4.326 -2.307 5.491 1.00 0.84 H new ATOM 0 HE2 TYR A 10 -2.792 1.065 3.384 1.00 0.82 H new ATOM 0 HH TYR A 10 -5.462 -0.118 4.970 1.00 1.06 H new ATOM 162 N ASP A 11 0.443 -5.937 3.683 1.00 0.42 N ATOM 163 CA ASP A 11 0.947 -7.226 3.267 1.00 0.42 C ATOM 164 C ASP A 11 0.064 -7.792 2.177 1.00 0.39 C ATOM 165 O ASP A 11 -1.143 -7.935 2.353 1.00 0.40 O ATOM 166 CB ASP A 11 1.006 -8.195 4.450 1.00 0.52 C ATOM 167 CG ASP A 11 2.370 -8.236 5.113 1.00 1.25 C ATOM 168 OD1 ASP A 11 3.021 -7.181 5.226 1.00 1.69 O ATOM 169 OD2 ASP A 11 2.802 -9.342 5.508 1.00 1.94 O ATOM 0 H ASP A 11 -0.348 -5.984 4.325 1.00 0.42 H new ATOM 0 HA ASP A 11 1.958 -7.095 2.882 1.00 0.42 H new ATOM 0 HB2 ASP A 11 0.258 -7.905 5.188 1.00 0.52 H new ATOM 0 HB3 ASP A 11 0.744 -9.196 4.107 1.00 0.52 H new ATOM 174 N LEU A 12 0.676 -8.114 1.062 1.00 0.38 N ATOM 175 CA LEU A 12 -0.041 -8.721 -0.056 1.00 0.41 C ATOM 176 C LEU A 12 -0.054 -10.233 0.125 1.00 0.54 C ATOM 177 O LEU A 12 0.885 -10.801 0.681 1.00 1.50 O ATOM 178 CB LEU A 12 0.565 -8.344 -1.414 1.00 0.40 C ATOM 179 CG LEU A 12 0.611 -6.843 -1.727 1.00 0.46 C ATOM 180 CD1 LEU A 12 0.672 -6.623 -3.229 1.00 1.04 C ATOM 181 CD2 LEU A 12 -0.586 -6.113 -1.136 1.00 1.04 C ATOM 0 H LEU A 12 1.672 -7.969 0.896 1.00 0.38 H new ATOM 0 HA LEU A 12 -1.061 -8.336 -0.055 1.00 0.41 H new ATOM 0 HB2 LEU A 12 1.580 -8.738 -1.460 1.00 0.40 H new ATOM 0 HB3 LEU A 12 -0.006 -8.843 -2.197 1.00 0.40 H new ATOM 0 HG LEU A 12 1.511 -6.433 -1.268 1.00 0.46 H new ATOM 0 HD11 LEU A 12 0.704 -5.554 -3.439 1.00 1.04 H new ATOM 0 HD12 LEU A 12 1.567 -7.099 -3.630 1.00 1.04 H new ATOM 0 HD13 LEU A 12 -0.211 -7.058 -3.697 1.00 1.04 H new ATOM 0 HD21 LEU A 12 -0.521 -5.052 -1.377 1.00 1.04 H new ATOM 0 HD22 LEU A 12 -1.505 -6.524 -1.553 1.00 1.04 H new ATOM 0 HD23 LEU A 12 -0.591 -6.239 -0.053 1.00 1.04 H new ATOM 193 N GLN A 13 -1.114 -10.874 -0.347 1.00 0.65 N ATOM 194 CA GLN A 13 -1.392 -12.271 -0.010 1.00 0.62 C ATOM 195 C GLN A 13 -0.320 -13.260 -0.489 1.00 0.62 C ATOM 196 O GLN A 13 -0.158 -14.324 0.103 1.00 0.74 O ATOM 197 CB GLN A 13 -2.747 -12.679 -0.573 1.00 0.69 C ATOM 198 CG GLN A 13 -3.226 -14.018 -0.047 1.00 0.89 C ATOM 199 CD GLN A 13 -4.508 -14.479 -0.701 1.00 1.08 C ATOM 200 OE1 GLN A 13 -5.603 -14.191 -0.226 1.00 1.68 O ATOM 201 NE2 GLN A 13 -4.375 -15.197 -1.802 1.00 1.61 N ATOM 0 H GLN A 13 -1.802 -10.449 -0.969 1.00 0.65 H new ATOM 0 HA GLN A 13 -1.390 -12.322 1.079 1.00 0.62 H new ATOM 0 HB2 GLN A 13 -3.483 -11.913 -0.326 1.00 0.69 H new ATOM 0 HB3 GLN A 13 -2.685 -12.723 -1.660 1.00 0.69 H new ATOM 0 HG2 GLN A 13 -2.450 -14.766 -0.211 1.00 0.89 H new ATOM 0 HG3 GLN A 13 -3.378 -13.947 1.030 1.00 0.89 H new ATOM 0 HE21 GLN A 13 -3.445 -15.413 -2.161 1.00 1.61 H new ATOM 0 HE22 GLN A 13 -5.202 -15.536 -2.293 1.00 1.61 H new ATOM 210 N ASP A 14 0.422 -12.926 -1.530 1.00 0.55 N ATOM 211 CA ASP A 14 1.357 -13.882 -2.103 1.00 0.64 C ATOM 212 C ASP A 14 2.750 -13.613 -1.599 1.00 0.54 C ATOM 213 O ASP A 14 3.439 -14.502 -1.095 1.00 0.70 O ATOM 214 CB ASP A 14 1.360 -13.804 -3.631 1.00 0.80 C ATOM 215 CG ASP A 14 2.515 -14.588 -4.237 1.00 1.46 C ATOM 216 OD1 ASP A 14 2.410 -15.829 -4.332 1.00 1.98 O ATOM 217 OD2 ASP A 14 3.539 -13.966 -4.604 1.00 2.11 O ATOM 0 H ASP A 14 0.398 -12.016 -1.991 1.00 0.55 H new ATOM 0 HA ASP A 14 1.037 -14.879 -1.799 1.00 0.64 H new ATOM 0 HB2 ASP A 14 0.417 -14.191 -4.016 1.00 0.80 H new ATOM 0 HB3 ASP A 14 1.427 -12.761 -3.941 1.00 0.80 H new ATOM 222 N GLY A 15 3.145 -12.368 -1.720 1.00 0.55 N ATOM 223 CA GLY A 15 4.505 -12.020 -1.461 1.00 0.73 C ATOM 224 C GLY A 15 4.844 -10.646 -1.956 1.00 0.75 C ATOM 225 O GLY A 15 5.593 -10.491 -2.924 1.00 1.28 O ATOM 0 H GLY A 15 2.543 -11.591 -1.994 1.00 0.55 H new ATOM 0 HA2 GLY A 15 4.694 -12.075 -0.389 1.00 0.73 H new ATOM 0 HA3 GLY A 15 5.161 -12.748 -1.938 1.00 0.73 H new ATOM 229 N SER A 16 4.262 -9.656 -1.322 1.00 0.37 N ATOM 230 CA SER A 16 4.603 -8.277 -1.569 1.00 0.35 C ATOM 231 C SER A 16 4.204 -7.467 -0.354 1.00 0.29 C ATOM 232 O SER A 16 3.207 -7.772 0.297 1.00 0.33 O ATOM 233 CB SER A 16 3.888 -7.733 -2.806 1.00 0.44 C ATOM 234 OG SER A 16 3.873 -8.678 -3.865 1.00 1.07 O ATOM 0 H SER A 16 3.536 -9.786 -0.618 1.00 0.37 H new ATOM 0 HA SER A 16 5.675 -8.204 -1.752 1.00 0.35 H new ATOM 0 HB2 SER A 16 2.865 -7.463 -2.545 1.00 0.44 H new ATOM 0 HB3 SER A 16 4.383 -6.821 -3.140 1.00 0.44 H new ATOM 0 HG SER A 16 4.686 -9.223 -3.828 1.00 1.07 H new ATOM 240 N LYS A 17 4.993 -6.482 -0.022 1.00 0.26 N ATOM 241 CA LYS A 17 4.705 -5.634 1.104 1.00 0.28 C ATOM 242 C LYS A 17 4.739 -4.173 0.675 1.00 0.30 C ATOM 243 O LYS A 17 5.725 -3.697 0.121 1.00 0.43 O ATOM 244 CB LYS A 17 5.726 -5.914 2.208 1.00 0.31 C ATOM 245 CG LYS A 17 5.554 -5.061 3.444 1.00 0.71 C ATOM 246 CD LYS A 17 6.662 -5.315 4.452 1.00 0.66 C ATOM 247 CE LYS A 17 6.602 -6.720 5.036 1.00 0.84 C ATOM 248 NZ LYS A 17 5.490 -6.883 6.009 1.00 1.84 N ATOM 0 H LYS A 17 5.850 -6.245 -0.521 1.00 0.26 H new ATOM 0 HA LYS A 17 3.707 -5.844 1.488 1.00 0.28 H new ATOM 0 HB2 LYS A 17 5.657 -6.964 2.493 1.00 0.31 H new ATOM 0 HB3 LYS A 17 6.728 -5.757 1.809 1.00 0.31 H new ATOM 0 HG2 LYS A 17 5.550 -4.008 3.163 1.00 0.71 H new ATOM 0 HG3 LYS A 17 4.588 -5.272 3.902 1.00 0.71 H new ATOM 0 HD2 LYS A 17 7.629 -5.165 3.971 1.00 0.66 H new ATOM 0 HD3 LYS A 17 6.590 -4.585 5.259 1.00 0.66 H new ATOM 0 HE2 LYS A 17 6.482 -7.442 4.228 1.00 0.84 H new ATOM 0 HE3 LYS A 17 7.548 -6.947 5.528 1.00 0.84 H new ATOM 0 HZ1 LYS A 17 5.522 -7.840 6.416 1.00 1.84 H new ATOM 0 HZ2 LYS A 17 5.588 -6.180 6.769 1.00 1.84 H new ATOM 0 HZ3 LYS A 17 4.581 -6.744 5.524 1.00 1.84 H new ATOM 262 N VAL A 18 3.657 -3.473 0.940 1.00 0.28 N ATOM 263 CA VAL A 18 3.521 -2.080 0.560 1.00 0.30 C ATOM 264 C VAL A 18 3.578 -1.223 1.811 1.00 0.31 C ATOM 265 O VAL A 18 3.182 -1.667 2.874 1.00 0.41 O ATOM 266 CB VAL A 18 2.177 -1.846 -0.171 1.00 0.35 C ATOM 267 CG1 VAL A 18 1.967 -0.373 -0.508 1.00 0.39 C ATOM 268 CG2 VAL A 18 2.104 -2.695 -1.433 1.00 0.36 C ATOM 0 H VAL A 18 2.844 -3.853 1.426 1.00 0.28 H new ATOM 0 HA VAL A 18 4.332 -1.811 -0.116 1.00 0.30 H new ATOM 0 HB VAL A 18 1.377 -2.147 0.505 1.00 0.35 H new ATOM 0 HG11 VAL A 18 1.013 -0.249 -1.020 1.00 0.39 H new ATOM 0 HG12 VAL A 18 1.964 0.214 0.411 1.00 0.39 H new ATOM 0 HG13 VAL A 18 2.774 -0.029 -1.155 1.00 0.39 H new ATOM 0 HG21 VAL A 18 1.153 -2.519 -1.935 1.00 0.36 H new ATOM 0 HG22 VAL A 18 2.922 -2.426 -2.101 1.00 0.36 H new ATOM 0 HG23 VAL A 18 2.184 -3.749 -1.168 1.00 0.36 H new ATOM 278 N HIS A 19 4.100 -0.020 1.713 1.00 0.29 N ATOM 279 CA HIS A 19 4.050 0.893 2.845 1.00 0.29 C ATOM 280 C HIS A 19 3.544 2.231 2.386 1.00 0.30 C ATOM 281 O HIS A 19 4.002 2.749 1.373 1.00 0.34 O ATOM 282 CB HIS A 19 5.420 1.110 3.505 1.00 0.32 C ATOM 283 CG HIS A 19 6.302 -0.089 3.534 1.00 0.32 C ATOM 284 ND1 HIS A 19 6.382 -0.963 4.591 1.00 0.67 N ATOM 285 CD2 HIS A 19 7.161 -0.537 2.614 1.00 0.37 C ATOM 286 CE1 HIS A 19 7.267 -1.900 4.312 1.00 0.66 C ATOM 287 NE2 HIS A 19 7.753 -1.665 3.116 1.00 0.41 N ATOM 0 H HIS A 19 4.557 0.349 0.879 1.00 0.29 H new ATOM 0 HA HIS A 19 3.387 0.438 3.581 1.00 0.29 H new ATOM 0 HB2 HIS A 19 5.938 1.911 2.977 1.00 0.32 H new ATOM 0 HB3 HIS A 19 5.263 1.452 4.528 1.00 0.32 H new ATOM 0 HD2 HIS A 19 7.353 -0.091 1.650 1.00 0.37 H new ATOM 0 HE1 HIS A 19 7.544 -2.720 4.957 1.00 0.66 H new ATOM 0 HE2 HIS A 19 8.456 -2.230 2.639 1.00 0.41 H new ATOM 296 N VAL A 20 2.610 2.784 3.122 1.00 0.31 N ATOM 297 CA VAL A 20 2.228 4.151 2.909 1.00 0.33 C ATOM 298 C VAL A 20 3.051 4.982 3.861 1.00 0.32 C ATOM 299 O VAL A 20 2.951 4.834 5.082 1.00 0.33 O ATOM 300 CB VAL A 20 0.728 4.410 3.133 1.00 0.40 C ATOM 301 CG1 VAL A 20 0.387 5.862 2.803 1.00 0.56 C ATOM 302 CG2 VAL A 20 -0.106 3.455 2.292 1.00 0.81 C ATOM 0 H VAL A 20 2.105 2.308 3.869 1.00 0.31 H new ATOM 0 HA VAL A 20 2.412 4.413 1.867 1.00 0.33 H new ATOM 0 HB VAL A 20 0.494 4.233 4.183 1.00 0.40 H new ATOM 0 HG11 VAL A 20 -0.677 6.032 2.966 1.00 0.56 H new ATOM 0 HG12 VAL A 20 0.963 6.526 3.447 1.00 0.56 H new ATOM 0 HG13 VAL A 20 0.632 6.065 1.760 1.00 0.56 H new ATOM 0 HG21 VAL A 20 -1.165 3.651 2.461 1.00 0.81 H new ATOM 0 HG22 VAL A 20 0.126 3.602 1.237 1.00 0.81 H new ATOM 0 HG23 VAL A 20 0.123 2.427 2.574 1.00 0.81 H new ATOM 312 N PHE A 21 3.905 5.800 3.307 1.00 0.34 N ATOM 313 CA PHE A 21 4.827 6.564 4.101 1.00 0.37 C ATOM 314 C PHE A 21 4.154 7.824 4.615 1.00 0.39 C ATOM 315 O PHE A 21 3.250 8.359 3.978 1.00 0.40 O ATOM 316 CB PHE A 21 6.070 6.895 3.281 1.00 0.40 C ATOM 317 CG PHE A 21 7.005 5.726 3.089 1.00 0.41 C ATOM 318 CD1 PHE A 21 6.792 4.841 2.047 1.00 0.37 C ATOM 319 CD2 PHE A 21 8.086 5.498 3.945 1.00 0.58 C ATOM 320 CE1 PHE A 21 7.623 3.755 1.855 1.00 0.39 C ATOM 321 CE2 PHE A 21 8.918 4.413 3.748 1.00 0.64 C ATOM 322 CZ PHE A 21 8.772 3.600 2.769 1.00 0.51 C ATOM 0 H PHE A 21 3.981 5.954 2.302 1.00 0.34 H new ATOM 0 HA PHE A 21 5.137 5.973 4.963 1.00 0.37 H new ATOM 0 HB2 PHE A 21 5.761 7.265 2.303 1.00 0.40 H new ATOM 0 HB3 PHE A 21 6.612 7.704 3.771 1.00 0.40 H new ATOM 0 HD1 PHE A 21 5.963 5.002 1.374 1.00 0.37 H new ATOM 0 HD2 PHE A 21 8.272 6.175 4.766 1.00 0.58 H new ATOM 0 HE1 PHE A 21 7.439 3.044 1.064 1.00 0.39 H new ATOM 0 HE2 PHE A 21 9.724 4.243 4.447 1.00 0.64 H new ATOM 0 HZ PHE A 21 9.486 2.805 2.613 1.00 0.51 H new ATOM 332 N LYS A 22 4.603 8.284 5.769 1.00 0.44 N ATOM 333 CA LYS A 22 4.041 9.457 6.426 1.00 0.50 C ATOM 334 C LYS A 22 4.199 10.692 5.545 1.00 0.52 C ATOM 335 O LYS A 22 3.495 11.688 5.709 1.00 0.57 O ATOM 336 CB LYS A 22 4.770 9.685 7.750 1.00 0.61 C ATOM 337 CG LYS A 22 6.181 10.191 7.547 1.00 1.37 C ATOM 338 CD LYS A 22 6.843 10.582 8.854 1.00 1.46 C ATOM 339 CE LYS A 22 7.999 11.546 8.626 1.00 2.02 C ATOM 340 NZ LYS A 22 9.038 10.986 7.719 1.00 2.87 N ATOM 0 H LYS A 22 5.372 7.854 6.282 1.00 0.44 H new ATOM 0 HA LYS A 22 2.979 9.288 6.604 1.00 0.50 H new ATOM 0 HB2 LYS A 22 4.212 10.403 8.351 1.00 0.61 H new ATOM 0 HB3 LYS A 22 4.798 8.752 8.312 1.00 0.61 H new ATOM 0 HG2 LYS A 22 6.775 9.419 7.058 1.00 1.37 H new ATOM 0 HG3 LYS A 22 6.164 11.052 6.879 1.00 1.37 H new ATOM 0 HD2 LYS A 22 6.107 11.044 9.512 1.00 1.46 H new ATOM 0 HD3 LYS A 22 7.207 9.688 9.360 1.00 1.46 H new ATOM 0 HE2 LYS A 22 7.615 12.475 8.204 1.00 2.02 H new ATOM 0 HE3 LYS A 22 8.454 11.795 9.584 1.00 2.02 H new ATOM 0 HZ1 LYS A 22 9.693 11.741 7.434 1.00 2.87 H new ATOM 0 HZ2 LYS A 22 9.565 10.239 8.214 1.00 2.87 H new ATOM 0 HZ3 LYS A 22 8.582 10.586 6.874 1.00 2.87 H new ATOM 354 N ASP A 23 5.133 10.610 4.605 1.00 0.54 N ATOM 355 CA ASP A 23 5.475 11.720 3.746 1.00 0.61 C ATOM 356 C ASP A 23 4.652 11.630 2.489 1.00 0.59 C ATOM 357 O ASP A 23 4.760 12.464 1.592 1.00 0.67 O ATOM 358 CB ASP A 23 6.966 11.691 3.410 1.00 0.68 C ATOM 359 CG ASP A 23 7.838 11.630 4.650 1.00 1.29 C ATOM 360 OD1 ASP A 23 8.128 12.688 5.238 1.00 1.91 O ATOM 361 OD2 ASP A 23 8.234 10.512 5.047 1.00 1.97 O ATOM 0 H ASP A 23 5.673 9.764 4.422 1.00 0.54 H new ATOM 0 HA ASP A 23 5.262 12.659 4.256 1.00 0.61 H new ATOM 0 HB2 ASP A 23 7.176 10.828 2.779 1.00 0.68 H new ATOM 0 HB3 ASP A 23 7.223 12.579 2.832 1.00 0.68 H new ATOM 366 N GLY A 24 3.839 10.590 2.434 1.00 0.53 N ATOM 367 CA GLY A 24 2.895 10.455 1.368 1.00 0.53 C ATOM 368 C GLY A 24 3.326 9.541 0.243 1.00 0.53 C ATOM 369 O GLY A 24 2.527 9.262 -0.648 1.00 0.58 O ATOM 0 H GLY A 24 3.822 9.834 3.119 1.00 0.53 H new ATOM 0 HA2 GLY A 24 1.957 10.083 1.779 1.00 0.53 H new ATOM 0 HA3 GLY A 24 2.692 11.443 0.955 1.00 0.53 H new ATOM 373 N LYS A 25 4.573 9.077 0.238 1.00 0.50 N ATOM 374 CA LYS A 25 4.997 8.113 -0.769 1.00 0.51 C ATOM 375 C LYS A 25 4.655 6.700 -0.335 1.00 0.42 C ATOM 376 O LYS A 25 4.142 6.481 0.761 1.00 0.41 O ATOM 377 CB LYS A 25 6.498 8.210 -1.039 1.00 0.62 C ATOM 378 CG LYS A 25 6.910 9.468 -1.780 1.00 0.94 C ATOM 379 CD LYS A 25 7.314 10.585 -0.832 1.00 1.49 C ATOM 380 CE LYS A 25 8.495 10.183 0.038 1.00 1.50 C ATOM 381 NZ LYS A 25 9.146 11.361 0.672 1.00 1.74 N ATOM 0 H LYS A 25 5.294 9.347 0.907 1.00 0.50 H new ATOM 0 HA LYS A 25 4.462 8.350 -1.689 1.00 0.51 H new ATOM 0 HB2 LYS A 25 7.031 8.169 -0.089 1.00 0.62 H new ATOM 0 HB3 LYS A 25 6.810 7.341 -1.618 1.00 0.62 H new ATOM 0 HG2 LYS A 25 7.742 9.240 -2.446 1.00 0.94 H new ATOM 0 HG3 LYS A 25 6.084 9.806 -2.406 1.00 0.94 H new ATOM 0 HD2 LYS A 25 7.571 11.475 -1.406 1.00 1.49 H new ATOM 0 HD3 LYS A 25 6.468 10.848 -0.198 1.00 1.49 H new ATOM 0 HE2 LYS A 25 8.157 9.495 0.813 1.00 1.50 H new ATOM 0 HE3 LYS A 25 9.226 9.647 -0.568 1.00 1.50 H new ATOM 0 HZ1 LYS A 25 9.844 11.037 1.371 1.00 1.74 H new ATOM 0 HZ2 LYS A 25 9.624 11.928 -0.057 1.00 1.74 H new ATOM 0 HZ3 LYS A 25 8.426 11.943 1.146 1.00 1.74 H new ATOM 395 N MET A 26 4.945 5.747 -1.202 1.00 0.42 N ATOM 396 CA MET A 26 4.665 4.353 -0.941 1.00 0.41 C ATOM 397 C MET A 26 5.837 3.499 -1.389 1.00 0.42 C ATOM 398 O MET A 26 6.461 3.769 -2.417 1.00 0.49 O ATOM 399 CB MET A 26 3.395 3.893 -1.664 1.00 0.47 C ATOM 400 CG MET A 26 2.112 4.535 -1.155 1.00 0.73 C ATOM 401 SD MET A 26 1.870 6.232 -1.736 1.00 1.07 S ATOM 402 CE MET A 26 1.863 6.005 -3.512 1.00 0.76 C ATOM 0 H MET A 26 5.382 5.921 -2.107 1.00 0.42 H new ATOM 0 HA MET A 26 4.510 4.238 0.132 1.00 0.41 H new ATOM 0 HB2 MET A 26 3.498 4.110 -2.727 1.00 0.47 H new ATOM 0 HB3 MET A 26 3.308 2.811 -1.567 1.00 0.47 H new ATOM 0 HG2 MET A 26 1.263 3.928 -1.469 1.00 0.73 H new ATOM 0 HG3 MET A 26 2.121 4.531 -0.065 1.00 0.73 H new ATOM 0 HE1 MET A 26 2.779 6.418 -3.935 1.00 0.76 H new ATOM 0 HE2 MET A 26 1.804 4.941 -3.743 1.00 0.76 H new ATOM 0 HE3 MET A 26 1.002 6.518 -3.941 1.00 0.76 H new ATOM 412 N GLY A 27 6.136 2.481 -0.606 1.00 0.39 N ATOM 413 CA GLY A 27 7.221 1.584 -0.931 1.00 0.39 C ATOM 414 C GLY A 27 6.721 0.190 -1.209 1.00 0.32 C ATOM 415 O GLY A 27 5.968 -0.371 -0.411 1.00 0.33 O ATOM 0 H GLY A 27 5.642 2.257 0.258 1.00 0.39 H new ATOM 0 HA2 GLY A 27 7.757 1.960 -1.803 1.00 0.39 H new ATOM 0 HA3 GLY A 27 7.933 1.559 -0.106 1.00 0.39 H new ATOM 419 N MET A 28 7.121 -0.357 -2.342 1.00 0.28 N ATOM 420 CA MET A 28 6.684 -1.679 -2.751 1.00 0.27 C ATOM 421 C MET A 28 7.819 -2.685 -2.586 1.00 0.26 C ATOM 422 O MET A 28 8.914 -2.491 -3.114 1.00 0.31 O ATOM 423 CB MET A 28 6.225 -1.634 -4.208 1.00 0.34 C ATOM 424 CG MET A 28 4.962 -2.433 -4.497 1.00 0.45 C ATOM 425 SD MET A 28 5.139 -4.197 -4.180 1.00 0.87 S ATOM 426 CE MET A 28 3.549 -4.790 -4.743 1.00 0.72 C ATOM 0 H MET A 28 7.753 0.098 -3.000 1.00 0.28 H new ATOM 0 HA MET A 28 5.852 -1.993 -2.121 1.00 0.27 H new ATOM 0 HB2 MET A 28 6.055 -0.595 -4.490 1.00 0.34 H new ATOM 0 HB3 MET A 28 7.030 -2.009 -4.841 1.00 0.34 H new ATOM 0 HG2 MET A 28 4.147 -2.042 -3.887 1.00 0.45 H new ATOM 0 HG3 MET A 28 4.679 -2.286 -5.539 1.00 0.45 H new ATOM 0 HE1 MET A 28 3.645 -5.820 -5.086 1.00 0.72 H new ATOM 0 HE2 MET A 28 2.833 -4.746 -3.922 1.00 0.72 H new ATOM 0 HE3 MET A 28 3.198 -4.166 -5.565 1.00 0.72 H new ATOM 436 N GLU A 29 7.556 -3.737 -1.833 1.00 0.24 N ATOM 437 CA GLU A 29 8.517 -4.813 -1.639 1.00 0.26 C ATOM 438 C GLU A 29 7.886 -6.129 -2.043 1.00 0.27 C ATOM 439 O GLU A 29 6.672 -6.266 -2.014 1.00 0.29 O ATOM 440 CB GLU A 29 8.964 -4.890 -0.175 1.00 0.34 C ATOM 441 CG GLU A 29 10.049 -3.893 0.191 1.00 0.47 C ATOM 442 CD GLU A 29 10.326 -3.856 1.678 1.00 0.56 C ATOM 443 OE1 GLU A 29 11.037 -4.749 2.176 1.00 1.14 O ATOM 444 OE2 GLU A 29 9.844 -2.930 2.359 1.00 0.68 O ATOM 0 H GLU A 29 6.674 -3.872 -1.339 1.00 0.24 H new ATOM 0 HA GLU A 29 9.392 -4.612 -2.257 1.00 0.26 H new ATOM 0 HB2 GLU A 29 8.100 -4.723 0.468 1.00 0.34 H new ATOM 0 HB3 GLU A 29 9.325 -5.897 0.032 1.00 0.34 H new ATOM 0 HG2 GLU A 29 10.966 -4.148 -0.340 1.00 0.47 H new ATOM 0 HG3 GLU A 29 9.753 -2.899 -0.145 1.00 0.47 H new ATOM 451 N ASN A 30 8.694 -7.089 -2.438 1.00 0.32 N ATOM 452 CA ASN A 30 8.170 -8.411 -2.738 1.00 0.39 C ATOM 453 C ASN A 30 8.506 -9.374 -1.614 1.00 0.42 C ATOM 454 O ASN A 30 9.206 -9.012 -0.671 1.00 0.42 O ATOM 455 CB ASN A 30 8.705 -8.937 -4.072 1.00 0.47 C ATOM 456 CG ASN A 30 10.194 -9.183 -4.048 1.00 0.79 C ATOM 457 OD1 ASN A 30 10.650 -10.241 -3.639 1.00 1.41 O ATOM 458 ND2 ASN A 30 10.965 -8.213 -4.487 1.00 1.12 N ATOM 0 H ASN A 30 9.702 -6.986 -2.559 1.00 0.32 H new ATOM 0 HA ASN A 30 7.086 -8.331 -2.826 1.00 0.39 H new ATOM 0 HB2 ASN A 30 8.192 -9.865 -4.324 1.00 0.47 H new ATOM 0 HB3 ASN A 30 8.472 -8.220 -4.860 1.00 0.47 H new ATOM 0 HD21 ASN A 30 11.978 -8.330 -4.494 1.00 1.12 H new ATOM 0 HD22 ASN A 30 10.550 -7.343 -4.821 1.00 1.12 H new ATOM 465 N LYS A 31 7.984 -10.590 -1.719 1.00 0.48 N ATOM 466 CA LYS A 31 8.183 -11.635 -0.714 1.00 0.54 C ATOM 467 C LYS A 31 9.640 -11.851 -0.302 1.00 0.58 C ATOM 468 O LYS A 31 9.896 -12.428 0.755 1.00 0.69 O ATOM 469 CB LYS A 31 7.599 -12.967 -1.187 1.00 0.62 C ATOM 470 CG LYS A 31 7.749 -13.247 -2.675 1.00 0.66 C ATOM 471 CD LYS A 31 7.105 -14.580 -3.041 1.00 0.78 C ATOM 472 CE LYS A 31 7.092 -14.822 -4.543 1.00 1.32 C ATOM 473 NZ LYS A 31 6.224 -13.851 -5.267 1.00 1.77 N ATOM 0 H LYS A 31 7.407 -10.884 -2.507 1.00 0.48 H new ATOM 0 HA LYS A 31 7.655 -11.273 0.168 1.00 0.54 H new ATOM 0 HB2 LYS A 31 8.078 -13.773 -0.632 1.00 0.62 H new ATOM 0 HB3 LYS A 31 6.539 -12.991 -0.934 1.00 0.62 H new ATOM 0 HG2 LYS A 31 7.287 -12.444 -3.249 1.00 0.66 H new ATOM 0 HG3 LYS A 31 8.806 -13.262 -2.942 1.00 0.66 H new ATOM 0 HD2 LYS A 31 7.645 -15.389 -2.550 1.00 0.78 H new ATOM 0 HD3 LYS A 31 6.083 -14.603 -2.663 1.00 0.78 H new ATOM 0 HE2 LYS A 31 8.109 -14.753 -4.928 1.00 1.32 H new ATOM 0 HE3 LYS A 31 6.744 -15.835 -4.742 1.00 1.32 H new ATOM 0 HZ1 LYS A 31 6.070 -14.182 -6.241 1.00 1.77 H new ATOM 0 HZ2 LYS A 31 5.309 -13.773 -4.779 1.00 1.77 H new ATOM 0 HZ3 LYS A 31 6.686 -12.920 -5.287 1.00 1.77 H new ATOM 487 N PHE A 32 10.596 -11.412 -1.112 1.00 0.58 N ATOM 488 CA PHE A 32 11.997 -11.613 -0.781 1.00 0.63 C ATOM 489 C PHE A 32 12.548 -10.408 -0.029 1.00 0.56 C ATOM 490 O PHE A 32 13.753 -10.315 0.223 1.00 0.62 O ATOM 491 CB PHE A 32 12.821 -11.878 -2.045 1.00 0.69 C ATOM 492 CG PHE A 32 12.366 -13.086 -2.818 1.00 0.80 C ATOM 493 CD1 PHE A 32 12.748 -14.361 -2.433 1.00 0.95 C ATOM 494 CD2 PHE A 32 11.547 -12.947 -3.925 1.00 0.83 C ATOM 495 CE1 PHE A 32 12.323 -15.470 -3.140 1.00 1.08 C ATOM 496 CE2 PHE A 32 11.120 -14.047 -4.637 1.00 0.96 C ATOM 497 CZ PHE A 32 11.506 -15.313 -4.244 1.00 1.07 C ATOM 0 H PHE A 32 10.428 -10.921 -1.990 1.00 0.58 H new ATOM 0 HA PHE A 32 12.071 -12.487 -0.134 1.00 0.63 H new ATOM 0 HB2 PHE A 32 12.770 -11.002 -2.692 1.00 0.69 H new ATOM 0 HB3 PHE A 32 13.867 -12.008 -1.766 1.00 0.69 H new ATOM 0 HD1 PHE A 32 13.385 -14.490 -1.571 1.00 0.95 H new ATOM 0 HD2 PHE A 32 11.237 -11.960 -4.236 1.00 0.83 H new ATOM 0 HE1 PHE A 32 12.629 -16.458 -2.830 1.00 1.08 H new ATOM 0 HE2 PHE A 32 10.485 -13.919 -5.501 1.00 0.96 H new ATOM 0 HZ PHE A 32 11.171 -16.178 -4.797 1.00 1.07 H new ATOM 507 N GLY A 33 11.665 -9.469 0.310 1.00 0.49 N ATOM 508 CA GLY A 33 12.047 -8.342 1.130 1.00 0.49 C ATOM 509 C GLY A 33 12.795 -7.305 0.337 1.00 0.45 C ATOM 510 O GLY A 33 13.622 -6.570 0.871 1.00 0.54 O ATOM 0 H GLY A 33 10.685 -9.475 0.026 1.00 0.49 H new ATOM 0 HA2 GLY A 33 11.156 -7.892 1.568 1.00 0.49 H new ATOM 0 HA3 GLY A 33 12.669 -8.687 1.956 1.00 0.49 H new ATOM 514 N LYS A 34 12.521 -7.268 -0.953 1.00 0.42 N ATOM 515 CA LYS A 34 13.234 -6.368 -1.843 1.00 0.52 C ATOM 516 C LYS A 34 12.320 -5.304 -2.394 1.00 0.38 C ATOM 517 O LYS A 34 11.203 -5.583 -2.831 1.00 0.72 O ATOM 518 CB LYS A 34 13.884 -7.144 -2.977 1.00 0.85 C ATOM 519 CG LYS A 34 14.773 -8.253 -2.473 1.00 1.17 C ATOM 520 CD LYS A 34 16.145 -7.748 -2.065 1.00 1.92 C ATOM 521 CE LYS A 34 16.953 -8.846 -1.392 1.00 2.73 C ATOM 522 NZ LYS A 34 16.377 -9.235 -0.075 1.00 3.25 N ATOM 0 H LYS A 34 11.814 -7.846 -1.407 1.00 0.42 H new ATOM 0 HA LYS A 34 14.013 -5.875 -1.262 1.00 0.52 H new ATOM 0 HB2 LYS A 34 13.109 -7.565 -3.618 1.00 0.85 H new ATOM 0 HB3 LYS A 34 14.471 -6.462 -3.592 1.00 0.85 H new ATOM 0 HG2 LYS A 34 14.298 -8.738 -1.620 1.00 1.17 H new ATOM 0 HG3 LYS A 34 14.883 -9.010 -3.250 1.00 1.17 H new ATOM 0 HD2 LYS A 34 16.679 -7.385 -2.943 1.00 1.92 H new ATOM 0 HD3 LYS A 34 16.038 -6.902 -1.386 1.00 1.92 H new ATOM 0 HE2 LYS A 34 16.991 -9.719 -2.043 1.00 2.73 H new ATOM 0 HE3 LYS A 34 17.980 -8.507 -1.253 1.00 2.73 H new ATOM 0 HZ1 LYS A 34 17.064 -9.816 0.446 1.00 3.25 H new ATOM 0 HZ2 LYS A 34 16.159 -8.380 0.475 1.00 3.25 H new ATOM 0 HZ3 LYS A 34 15.505 -9.781 -0.225 1.00 3.25 H new ATOM 536 N SER A 35 12.836 -4.101 -2.390 1.00 0.46 N ATOM 537 CA SER A 35 12.088 -2.928 -2.802 1.00 0.48 C ATOM 538 C SER A 35 12.129 -2.776 -4.322 1.00 0.58 C ATOM 539 O SER A 35 13.201 -2.844 -4.933 1.00 0.74 O ATOM 540 CB SER A 35 12.659 -1.689 -2.108 1.00 0.69 C ATOM 541 OG SER A 35 11.853 -0.545 -2.321 1.00 1.55 O ATOM 0 H SER A 35 13.793 -3.901 -2.100 1.00 0.46 H new ATOM 0 HA SER A 35 11.044 -3.043 -2.509 1.00 0.48 H new ATOM 0 HB2 SER A 35 12.744 -1.879 -1.038 1.00 0.69 H new ATOM 0 HB3 SER A 35 13.666 -1.497 -2.478 1.00 0.69 H new ATOM 0 HG SER A 35 12.249 0.224 -1.861 1.00 1.55 H new ATOM 547 N MET A 36 10.964 -2.598 -4.926 1.00 0.58 N ATOM 548 CA MET A 36 10.853 -2.462 -6.373 1.00 0.76 C ATOM 549 C MET A 36 9.757 -1.469 -6.744 1.00 0.87 C ATOM 550 O MET A 36 9.113 -0.894 -5.869 1.00 0.94 O ATOM 551 CB MET A 36 10.607 -3.827 -7.033 1.00 0.81 C ATOM 552 CG MET A 36 10.013 -4.884 -6.107 1.00 1.07 C ATOM 553 SD MET A 36 8.315 -4.543 -5.624 1.00 1.38 S ATOM 554 CE MET A 36 7.453 -4.802 -7.172 1.00 1.15 C ATOM 0 H MET A 36 10.073 -2.544 -4.432 1.00 0.58 H new ATOM 0 HA MET A 36 11.799 -2.072 -6.750 1.00 0.76 H new ATOM 0 HB2 MET A 36 9.938 -3.690 -7.882 1.00 0.81 H new ATOM 0 HB3 MET A 36 11.552 -4.200 -7.429 1.00 0.81 H new ATOM 0 HG2 MET A 36 10.053 -5.854 -6.603 1.00 1.07 H new ATOM 0 HG3 MET A 36 10.629 -4.958 -5.211 1.00 1.07 H new ATOM 0 HE1 MET A 36 6.392 -4.592 -7.037 1.00 1.15 H new ATOM 0 HE2 MET A 36 7.861 -4.136 -7.932 1.00 1.15 H new ATOM 0 HE3 MET A 36 7.580 -5.837 -7.491 1.00 1.15 H new ATOM 564 N ASN A 37 9.562 -1.257 -8.039 1.00 1.03 N ATOM 565 CA ASN A 37 8.602 -0.263 -8.513 1.00 1.17 C ATOM 566 C ASN A 37 7.180 -0.805 -8.473 1.00 0.99 C ATOM 567 O ASN A 37 6.941 -1.982 -8.744 1.00 1.03 O ATOM 568 CB ASN A 37 8.951 0.200 -9.936 1.00 1.55 C ATOM 569 CG ASN A 37 9.083 -0.947 -10.926 1.00 2.18 C ATOM 570 OD1 ASN A 37 8.101 -1.387 -11.530 1.00 2.78 O ATOM 571 ND2 ASN A 37 10.307 -1.419 -11.125 1.00 2.51 N ATOM 0 H ASN A 37 10.053 -1.757 -8.780 1.00 1.03 H new ATOM 0 HA ASN A 37 8.660 0.594 -7.842 1.00 1.17 H new ATOM 0 HB2 ASN A 37 8.180 0.887 -10.287 1.00 1.55 H new ATOM 0 HB3 ASN A 37 9.887 0.758 -9.910 1.00 1.55 H new ATOM 0 HD21 ASN A 37 10.461 -2.171 -11.796 1.00 2.51 H new ATOM 0 HD22 ASN A 37 11.094 -1.030 -10.607 1.00 2.51 H new ATOM 578 N MET A 38 6.241 0.066 -8.132 1.00 1.01 N ATOM 579 CA MET A 38 4.837 -0.309 -8.032 1.00 0.99 C ATOM 580 C MET A 38 4.107 -0.003 -9.337 1.00 0.86 C ATOM 581 O MET A 38 4.180 1.116 -9.847 1.00 0.81 O ATOM 582 CB MET A 38 4.180 0.433 -6.863 1.00 1.23 C ATOM 583 CG MET A 38 2.755 -0.007 -6.574 1.00 0.95 C ATOM 584 SD MET A 38 2.077 0.775 -5.096 1.00 1.15 S ATOM 585 CE MET A 38 0.504 -0.068 -4.956 1.00 1.32 C ATOM 0 H MET A 38 6.428 1.046 -7.918 1.00 1.01 H new ATOM 0 HA MET A 38 4.772 -1.382 -7.849 1.00 0.99 H new ATOM 0 HB2 MET A 38 4.784 0.285 -5.967 1.00 1.23 H new ATOM 0 HB3 MET A 38 4.183 1.502 -7.077 1.00 1.23 H new ATOM 0 HG2 MET A 38 2.124 0.232 -7.430 1.00 0.95 H new ATOM 0 HG3 MET A 38 2.730 -1.090 -6.452 1.00 0.95 H new ATOM 0 HE1 MET A 38 -0.305 0.640 -5.136 1.00 1.32 H new ATOM 0 HE2 MET A 38 0.455 -0.871 -5.692 1.00 1.32 H new ATOM 0 HE3 MET A 38 0.404 -0.487 -3.955 1.00 1.32 H new ATOM 595 N PRO A 39 3.411 -1.005 -9.897 1.00 0.92 N ATOM 596 CA PRO A 39 2.673 -0.851 -11.152 1.00 0.91 C ATOM 597 C PRO A 39 1.362 -0.084 -10.979 1.00 0.76 C ATOM 598 O PRO A 39 0.627 -0.289 -10.008 1.00 0.83 O ATOM 599 CB PRO A 39 2.400 -2.296 -11.573 1.00 1.16 C ATOM 600 CG PRO A 39 2.350 -3.062 -10.296 1.00 1.24 C ATOM 601 CD PRO A 39 3.304 -2.375 -9.356 1.00 1.13 C ATOM 0 HA PRO A 39 3.234 -0.273 -11.886 1.00 0.91 H new ATOM 0 HB2 PRO A 39 1.461 -2.378 -12.120 1.00 1.16 H new ATOM 0 HB3 PRO A 39 3.185 -2.672 -12.229 1.00 1.16 H new ATOM 0 HG2 PRO A 39 1.340 -3.071 -9.887 1.00 1.24 H new ATOM 0 HG3 PRO A 39 2.640 -4.101 -10.454 1.00 1.24 H new ATOM 0 HD2 PRO A 39 2.925 -2.372 -8.334 1.00 1.13 H new ATOM 0 HD3 PRO A 39 4.273 -2.873 -9.336 1.00 1.13 H new ATOM 609 N GLU A 40 1.075 0.796 -11.928 1.00 0.77 N ATOM 610 CA GLU A 40 -0.151 1.577 -11.906 1.00 0.69 C ATOM 611 C GLU A 40 -1.237 0.894 -12.728 1.00 0.73 C ATOM 612 O GLU A 40 -0.951 0.219 -13.720 1.00 1.09 O ATOM 613 CB GLU A 40 0.094 2.984 -12.460 1.00 0.76 C ATOM 614 CG GLU A 40 -1.143 3.868 -12.409 1.00 0.72 C ATOM 615 CD GLU A 40 -0.954 5.213 -13.068 1.00 0.94 C ATOM 616 OE1 GLU A 40 -0.328 6.098 -12.456 1.00 1.09 O ATOM 617 OE2 GLU A 40 -1.462 5.398 -14.193 1.00 1.15 O ATOM 0 H GLU A 40 1.680 0.987 -12.727 1.00 0.77 H new ATOM 0 HA GLU A 40 -0.480 1.653 -10.869 1.00 0.69 H new ATOM 0 HB2 GLU A 40 0.895 3.457 -11.893 1.00 0.76 H new ATOM 0 HB3 GLU A 40 0.436 2.907 -13.492 1.00 0.76 H new ATOM 0 HG2 GLU A 40 -1.970 3.349 -12.893 1.00 0.72 H new ATOM 0 HG3 GLU A 40 -1.428 4.020 -11.368 1.00 0.72 H new ATOM 624 N GLY A 41 -2.481 1.068 -12.309 1.00 0.64 N ATOM 625 CA GLY A 41 -3.603 0.541 -13.060 1.00 0.66 C ATOM 626 C GLY A 41 -4.066 -0.803 -12.547 1.00 0.62 C ATOM 627 O GLY A 41 -5.132 -1.289 -12.925 1.00 0.68 O ATOM 0 H GLY A 41 -2.735 1.568 -11.457 1.00 0.64 H new ATOM 0 HA2 GLY A 41 -4.431 1.248 -13.013 1.00 0.66 H new ATOM 0 HA3 GLY A 41 -3.322 0.448 -14.109 1.00 0.66 H new ATOM 631 N LYS A 42 -3.269 -1.400 -11.681 1.00 0.59 N ATOM 632 CA LYS A 42 -3.582 -2.709 -11.139 1.00 0.59 C ATOM 633 C LYS A 42 -4.011 -2.623 -9.689 1.00 0.52 C ATOM 634 O LYS A 42 -3.326 -2.022 -8.864 1.00 0.54 O ATOM 635 CB LYS A 42 -2.373 -3.627 -11.246 1.00 0.67 C ATOM 636 CG LYS A 42 -2.003 -3.980 -12.676 1.00 0.85 C ATOM 637 CD LYS A 42 -0.783 -4.885 -12.736 1.00 1.45 C ATOM 638 CE LYS A 42 -0.984 -6.163 -11.931 1.00 1.85 C ATOM 639 NZ LYS A 42 -2.163 -6.944 -12.397 1.00 2.30 N ATOM 0 H LYS A 42 -2.397 -0.998 -11.337 1.00 0.59 H new ATOM 0 HA LYS A 42 -4.409 -3.114 -11.723 1.00 0.59 H new ATOM 0 HB2 LYS A 42 -1.520 -3.148 -10.766 1.00 0.67 H new ATOM 0 HB3 LYS A 42 -2.574 -4.545 -10.694 1.00 0.67 H new ATOM 0 HG2 LYS A 42 -2.846 -4.474 -13.158 1.00 0.85 H new ATOM 0 HG3 LYS A 42 -1.806 -3.066 -13.237 1.00 0.85 H new ATOM 0 HD2 LYS A 42 -0.570 -5.140 -13.774 1.00 1.45 H new ATOM 0 HD3 LYS A 42 0.086 -4.349 -12.355 1.00 1.45 H new ATOM 0 HE2 LYS A 42 -0.089 -6.781 -12.005 1.00 1.85 H new ATOM 0 HE3 LYS A 42 -1.111 -5.911 -10.878 1.00 1.85 H new ATOM 0 HZ1 LYS A 42 -2.191 -7.858 -11.902 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 -3.034 -6.413 -12.193 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 -2.089 -7.107 -13.421 1.00 2.30 H new ATOM 653 N VAL A 43 -5.137 -3.242 -9.381 1.00 0.48 N ATOM 654 CA VAL A 43 -5.592 -3.325 -8.012 1.00 0.45 C ATOM 655 C VAL A 43 -5.040 -4.600 -7.385 1.00 0.39 C ATOM 656 O VAL A 43 -5.163 -5.692 -7.948 1.00 0.46 O ATOM 657 CB VAL A 43 -7.137 -3.259 -7.897 1.00 0.54 C ATOM 658 CG1 VAL A 43 -7.812 -4.389 -8.657 1.00 0.69 C ATOM 659 CG2 VAL A 43 -7.566 -3.262 -6.441 1.00 0.93 C ATOM 0 H VAL A 43 -5.749 -3.692 -10.061 1.00 0.48 H new ATOM 0 HA VAL A 43 -5.216 -2.458 -7.468 1.00 0.45 H new ATOM 0 HB VAL A 43 -7.457 -2.323 -8.354 1.00 0.54 H new ATOM 0 HG11 VAL A 43 -8.893 -4.305 -8.550 1.00 0.69 H new ATOM 0 HG12 VAL A 43 -7.546 -4.327 -9.712 1.00 0.69 H new ATOM 0 HG13 VAL A 43 -7.481 -5.347 -8.255 1.00 0.69 H new ATOM 0 HG21 VAL A 43 -8.653 -3.215 -6.382 1.00 0.93 H new ATOM 0 HG22 VAL A 43 -7.215 -4.175 -5.960 1.00 0.93 H new ATOM 0 HG23 VAL A 43 -7.138 -2.398 -5.934 1.00 0.93 H new ATOM 669 N MET A 44 -4.392 -4.452 -6.248 1.00 0.35 N ATOM 670 CA MET A 44 -3.751 -5.571 -5.586 1.00 0.36 C ATOM 671 C MET A 44 -4.395 -5.812 -4.233 1.00 0.34 C ATOM 672 O MET A 44 -4.861 -4.875 -3.582 1.00 0.39 O ATOM 673 CB MET A 44 -2.247 -5.318 -5.448 1.00 0.46 C ATOM 674 CG MET A 44 -1.900 -3.999 -4.778 1.00 0.76 C ATOM 675 SD MET A 44 -0.144 -3.606 -4.875 1.00 1.31 S ATOM 676 CE MET A 44 0.082 -3.498 -6.649 1.00 1.20 C ATOM 0 H MET A 44 -4.295 -3.562 -5.760 1.00 0.35 H new ATOM 0 HA MET A 44 -3.884 -6.468 -6.191 1.00 0.36 H new ATOM 0 HB2 MET A 44 -1.803 -6.132 -4.875 1.00 0.46 H new ATOM 0 HB3 MET A 44 -1.793 -5.341 -6.439 1.00 0.46 H new ATOM 0 HG2 MET A 44 -2.473 -3.198 -5.245 1.00 0.76 H new ATOM 0 HG3 MET A 44 -2.201 -4.038 -3.731 1.00 0.76 H new ATOM 0 HE1 MET A 44 0.913 -2.828 -6.870 1.00 1.20 H new ATOM 0 HE2 MET A 44 0.298 -4.489 -7.049 1.00 1.20 H new ATOM 0 HE3 MET A 44 -0.828 -3.111 -7.109 1.00 1.20 H new ATOM 686 N GLU A 45 -4.434 -7.066 -3.820 1.00 0.31 N ATOM 687 CA GLU A 45 -5.136 -7.446 -2.622 1.00 0.34 C ATOM 688 C GLU A 45 -4.154 -7.758 -1.496 1.00 0.30 C ATOM 689 O GLU A 45 -3.026 -8.197 -1.732 1.00 0.35 O ATOM 690 CB GLU A 45 -6.025 -8.651 -2.929 1.00 0.47 C ATOM 691 CG GLU A 45 -6.917 -9.057 -1.780 1.00 0.99 C ATOM 692 CD GLU A 45 -7.868 -10.173 -2.150 1.00 1.17 C ATOM 693 OE1 GLU A 45 -8.751 -9.947 -3.007 1.00 1.43 O ATOM 694 OE2 GLU A 45 -7.740 -11.281 -1.594 1.00 1.64 O ATOM 0 H GLU A 45 -3.981 -7.840 -4.306 1.00 0.31 H new ATOM 0 HA GLU A 45 -5.760 -6.618 -2.286 1.00 0.34 H new ATOM 0 HB2 GLU A 45 -6.645 -8.422 -3.795 1.00 0.47 H new ATOM 0 HB3 GLU A 45 -5.394 -9.496 -3.203 1.00 0.47 H new ATOM 0 HG2 GLU A 45 -6.299 -9.374 -0.940 1.00 0.99 H new ATOM 0 HG3 GLU A 45 -7.490 -8.192 -1.446 1.00 0.99 H new ATOM 701 N THR A 46 -4.608 -7.540 -0.279 1.00 0.29 N ATOM 702 CA THR A 46 -3.783 -7.753 0.892 1.00 0.31 C ATOM 703 C THR A 46 -4.133 -9.085 1.544 1.00 0.39 C ATOM 704 O THR A 46 -5.190 -9.655 1.272 1.00 0.49 O ATOM 705 CB THR A 46 -3.935 -6.618 1.923 1.00 0.42 C ATOM 706 OG1 THR A 46 -5.267 -6.597 2.443 1.00 0.53 O ATOM 707 CG2 THR A 46 -3.610 -5.267 1.304 1.00 0.50 C ATOM 0 H THR A 46 -5.552 -7.213 -0.074 1.00 0.29 H new ATOM 0 HA THR A 46 -2.745 -7.764 0.559 1.00 0.31 H new ATOM 0 HB THR A 46 -3.231 -6.807 2.733 1.00 0.42 H new ATOM 0 HG1 THR A 46 -5.262 -6.199 3.338 1.00 0.53 H new ATOM 0 HG21 THR A 46 -3.726 -4.485 2.055 1.00 0.50 H new ATOM 0 HG22 THR A 46 -2.583 -5.271 0.940 1.00 0.50 H new ATOM 0 HG23 THR A 46 -4.288 -5.075 0.473 1.00 0.50 H new ATOM 715 N ARG A 47 -3.244 -9.577 2.399 1.00 0.39 N ATOM 716 CA ARG A 47 -3.456 -10.835 3.116 1.00 0.51 C ATOM 717 C ARG A 47 -4.733 -10.813 3.951 1.00 0.72 C ATOM 718 O ARG A 47 -5.273 -11.861 4.293 1.00 0.92 O ATOM 719 CB ARG A 47 -2.272 -11.117 4.039 1.00 0.54 C ATOM 720 CG ARG A 47 -1.077 -11.753 3.349 1.00 0.95 C ATOM 721 CD ARG A 47 0.083 -11.962 4.311 1.00 1.27 C ATOM 722 NE ARG A 47 1.031 -12.957 3.806 1.00 2.09 N ATOM 723 CZ ARG A 47 2.358 -12.885 3.950 1.00 2.77 C ATOM 724 NH1 ARG A 47 2.926 -11.841 4.538 1.00 2.94 N ATOM 725 NH2 ARG A 47 3.127 -13.865 3.499 1.00 3.73 N ATOM 0 H ARG A 47 -2.359 -9.120 2.616 1.00 0.39 H new ATOM 0 HA ARG A 47 -3.550 -11.619 2.364 1.00 0.51 H new ATOM 0 HB2 ARG A 47 -1.955 -10.181 4.500 1.00 0.54 H new ATOM 0 HB3 ARG A 47 -2.603 -11.773 4.844 1.00 0.54 H new ATOM 0 HG2 ARG A 47 -1.372 -12.711 2.921 1.00 0.95 H new ATOM 0 HG3 ARG A 47 -0.755 -11.120 2.522 1.00 0.95 H new ATOM 0 HD2 ARG A 47 0.599 -11.015 4.470 1.00 1.27 H new ATOM 0 HD3 ARG A 47 -0.300 -12.283 5.280 1.00 1.27 H new ATOM 0 HE ARG A 47 0.652 -13.763 3.309 1.00 2.09 H new ATOM 0 HH11 ARG A 47 2.349 -11.077 4.889 1.00 2.94 H new ATOM 0 HH12 ARG A 47 3.940 -11.802 4.640 1.00 2.94 H new ATOM 0 HH21 ARG A 47 2.706 -14.674 3.042 1.00 3.73 H new ATOM 0 HH22 ARG A 47 4.140 -13.810 3.609 1.00 3.73 H new ATOM 739 N ASP A 48 -5.212 -9.627 4.272 1.00 0.78 N ATOM 740 CA ASP A 48 -6.355 -9.495 5.161 1.00 1.06 C ATOM 741 C ASP A 48 -7.644 -9.297 4.375 1.00 1.04 C ATOM 742 O ASP A 48 -8.738 -9.481 4.908 1.00 1.45 O ATOM 743 CB ASP A 48 -6.147 -8.331 6.126 1.00 1.30 C ATOM 744 CG ASP A 48 -6.131 -6.993 5.421 1.00 1.83 C ATOM 745 OD1 ASP A 48 -7.211 -6.401 5.220 1.00 1.79 O ATOM 746 OD2 ASP A 48 -5.033 -6.528 5.054 1.00 2.70 O ATOM 0 H ASP A 48 -4.831 -8.743 3.934 1.00 0.78 H new ATOM 0 HA ASP A 48 -6.442 -10.419 5.732 1.00 1.06 H new ATOM 0 HB2 ASP A 48 -6.941 -8.336 6.873 1.00 1.30 H new ATOM 0 HB3 ASP A 48 -5.207 -8.469 6.660 1.00 1.30 H new ATOM 751 N GLY A 49 -7.521 -8.919 3.106 1.00 0.68 N ATOM 752 CA GLY A 49 -8.697 -8.763 2.272 1.00 0.72 C ATOM 753 C GLY A 49 -8.982 -7.321 1.900 1.00 0.70 C ATOM 754 O GLY A 49 -10.117 -6.974 1.578 1.00 0.77 O ATOM 0 H GLY A 49 -6.634 -8.719 2.644 1.00 0.68 H new ATOM 0 HA2 GLY A 49 -8.568 -9.347 1.361 1.00 0.72 H new ATOM 0 HA3 GLY A 49 -9.561 -9.174 2.794 1.00 0.72 H new ATOM 758 N THR A 50 -7.968 -6.471 1.942 1.00 0.65 N ATOM 759 CA THR A 50 -8.116 -5.086 1.524 1.00 0.69 C ATOM 760 C THR A 50 -7.572 -4.926 0.105 1.00 0.55 C ATOM 761 O THR A 50 -6.642 -5.624 -0.290 1.00 0.52 O ATOM 762 CB THR A 50 -7.364 -4.141 2.489 1.00 0.83 C ATOM 763 OG1 THR A 50 -7.872 -4.300 3.821 1.00 1.25 O ATOM 764 CG2 THR A 50 -7.498 -2.681 2.072 1.00 1.35 C ATOM 0 H THR A 50 -7.031 -6.717 2.262 1.00 0.65 H new ATOM 0 HA THR A 50 -9.173 -4.821 1.543 1.00 0.69 H new ATOM 0 HB THR A 50 -6.308 -4.409 2.454 1.00 0.83 H new ATOM 0 HG1 THR A 50 -7.519 -5.128 4.209 1.00 1.25 H new ATOM 0 HG21 THR A 50 -6.955 -2.050 2.776 1.00 1.35 H new ATOM 0 HG22 THR A 50 -7.084 -2.549 1.072 1.00 1.35 H new ATOM 0 HG23 THR A 50 -8.551 -2.399 2.069 1.00 1.35 H new ATOM 772 N LYS A 51 -8.164 -4.027 -0.668 1.00 0.53 N ATOM 773 CA LYS A 51 -7.725 -3.802 -2.037 1.00 0.52 C ATOM 774 C LYS A 51 -7.091 -2.424 -2.162 1.00 0.51 C ATOM 775 O LYS A 51 -7.633 -1.436 -1.661 1.00 0.56 O ATOM 776 CB LYS A 51 -8.903 -3.933 -3.000 1.00 0.59 C ATOM 777 CG LYS A 51 -9.661 -5.239 -2.846 1.00 0.67 C ATOM 778 CD LYS A 51 -10.869 -5.295 -3.763 1.00 1.19 C ATOM 779 CE LYS A 51 -11.767 -6.471 -3.425 1.00 1.26 C ATOM 780 NZ LYS A 51 -12.186 -6.455 -1.996 1.00 1.84 N ATOM 0 H LYS A 51 -8.947 -3.444 -0.372 1.00 0.53 H new ATOM 0 HA LYS A 51 -6.981 -4.556 -2.295 1.00 0.52 H new ATOM 0 HB2 LYS A 51 -9.589 -3.101 -2.839 1.00 0.59 H new ATOM 0 HB3 LYS A 51 -8.538 -3.851 -4.024 1.00 0.59 H new ATOM 0 HG2 LYS A 51 -8.997 -6.074 -3.067 1.00 0.67 H new ATOM 0 HG3 LYS A 51 -9.983 -5.353 -1.811 1.00 0.67 H new ATOM 0 HD2 LYS A 51 -11.435 -4.367 -3.679 1.00 1.19 H new ATOM 0 HD3 LYS A 51 -10.538 -5.374 -4.799 1.00 1.19 H new ATOM 0 HE2 LYS A 51 -12.651 -6.449 -4.063 1.00 1.26 H new ATOM 0 HE3 LYS A 51 -11.242 -7.402 -3.639 1.00 1.26 H new ATOM 0 HZ1 LYS A 51 -13.046 -7.028 -1.880 1.00 1.84 H new ATOM 0 HZ2 LYS A 51 -11.425 -6.849 -1.407 1.00 1.84 H new ATOM 0 HZ3 LYS A 51 -12.380 -5.476 -1.702 1.00 1.84 H new ATOM 794 N ILE A 52 -5.931 -2.370 -2.800 1.00 0.47 N ATOM 795 CA ILE A 52 -5.204 -1.122 -2.982 1.00 0.46 C ATOM 796 C ILE A 52 -4.657 -1.014 -4.406 1.00 0.46 C ATOM 797 O ILE A 52 -4.537 -2.014 -5.110 1.00 0.52 O ATOM 798 CB ILE A 52 -4.028 -0.995 -1.978 1.00 0.48 C ATOM 799 CG1 ILE A 52 -3.055 -2.170 -2.135 1.00 0.49 C ATOM 800 CG2 ILE A 52 -4.549 -0.918 -0.548 1.00 0.66 C ATOM 801 CD1 ILE A 52 -1.821 -2.069 -1.260 1.00 0.51 C ATOM 0 H ILE A 52 -5.469 -3.185 -3.204 1.00 0.47 H new ATOM 0 HA ILE A 52 -5.911 -0.313 -2.799 1.00 0.46 H new ATOM 0 HB ILE A 52 -3.490 -0.073 -2.196 1.00 0.48 H new ATOM 0 HG12 ILE A 52 -3.579 -3.096 -1.901 1.00 0.49 H new ATOM 0 HG13 ILE A 52 -2.744 -2.234 -3.178 1.00 0.49 H new ATOM 0 HG21 ILE A 52 -3.709 -0.829 0.141 1.00 0.66 H new ATOM 0 HG22 ILE A 52 -5.198 -0.048 -0.443 1.00 0.66 H new ATOM 0 HG23 ILE A 52 -5.114 -1.821 -0.317 1.00 0.66 H new ATOM 0 HD11 ILE A 52 -1.183 -2.937 -1.429 1.00 0.51 H new ATOM 0 HD12 ILE A 52 -1.272 -1.161 -1.509 1.00 0.51 H new ATOM 0 HD13 ILE A 52 -2.120 -2.037 -0.212 1.00 0.51 H new ATOM 813 N ILE A 53 -4.345 0.205 -4.818 1.00 0.42 N ATOM 814 CA ILE A 53 -3.724 0.459 -6.127 1.00 0.41 C ATOM 815 C ILE A 53 -3.098 1.848 -6.143 1.00 0.42 C ATOM 816 O ILE A 53 -3.561 2.750 -5.449 1.00 0.44 O ATOM 817 CB ILE A 53 -4.717 0.314 -7.333 1.00 0.40 C ATOM 818 CG1 ILE A 53 -4.142 0.963 -8.612 1.00 0.43 C ATOM 819 CG2 ILE A 53 -6.075 0.901 -7.001 1.00 0.42 C ATOM 820 CD1 ILE A 53 -5.156 1.204 -9.711 1.00 0.98 C ATOM 0 H ILE A 53 -4.510 1.047 -4.266 1.00 0.42 H new ATOM 0 HA ILE A 53 -2.960 -0.307 -6.258 1.00 0.41 H new ATOM 0 HB ILE A 53 -4.847 -0.752 -7.522 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -3.683 1.915 -8.345 1.00 0.43 H new ATOM 0 HG13 ILE A 53 -3.349 0.325 -9.002 1.00 0.43 H new ATOM 0 HG21 ILE A 53 -6.740 0.785 -7.856 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -6.496 0.381 -6.141 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -5.966 1.960 -6.767 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -4.662 1.662 -10.568 1.00 0.98 H new ATOM 0 HD12 ILE A 53 -5.599 0.255 -10.012 1.00 0.98 H new ATOM 0 HD13 ILE A 53 -5.938 1.869 -9.345 1.00 0.98 H new ATOM 832 N MET A 54 -2.059 2.011 -6.940 1.00 0.44 N ATOM 833 CA MET A 54 -1.405 3.297 -7.096 1.00 0.47 C ATOM 834 C MET A 54 -1.816 3.874 -8.438 1.00 0.48 C ATOM 835 O MET A 54 -1.629 3.241 -9.476 1.00 0.54 O ATOM 836 CB MET A 54 0.119 3.135 -7.004 1.00 0.52 C ATOM 837 CG MET A 54 0.897 4.443 -6.919 1.00 0.60 C ATOM 838 SD MET A 54 1.003 5.328 -8.489 1.00 1.08 S ATOM 839 CE MET A 54 1.889 4.135 -9.495 1.00 1.50 C ATOM 0 H MET A 54 -1.646 1.261 -7.495 1.00 0.44 H new ATOM 0 HA MET A 54 -1.706 3.977 -6.299 1.00 0.47 H new ATOM 0 HB2 MET A 54 0.354 2.531 -6.127 1.00 0.52 H new ATOM 0 HB3 MET A 54 0.464 2.579 -7.876 1.00 0.52 H new ATOM 0 HG2 MET A 54 0.424 5.089 -6.179 1.00 0.60 H new ATOM 0 HG3 MET A 54 1.905 4.233 -6.562 1.00 0.60 H new ATOM 0 HE1 MET A 54 2.233 4.616 -10.411 1.00 1.50 H new ATOM 0 HE2 MET A 54 2.747 3.756 -8.939 1.00 1.50 H new ATOM 0 HE3 MET A 54 1.226 3.308 -9.747 1.00 1.50 H new ATOM 849 N LYS A 55 -2.415 5.049 -8.410 1.00 0.52 N ATOM 850 CA LYS A 55 -2.894 5.685 -9.619 1.00 0.58 C ATOM 851 C LYS A 55 -2.505 7.155 -9.629 1.00 0.66 C ATOM 852 O LYS A 55 -2.945 7.929 -8.777 1.00 0.70 O ATOM 853 CB LYS A 55 -4.416 5.529 -9.741 1.00 0.72 C ATOM 854 CG LYS A 55 -4.989 6.121 -11.019 1.00 0.95 C ATOM 855 CD LYS A 55 -4.380 5.476 -12.250 1.00 0.94 C ATOM 856 CE LYS A 55 -4.774 6.218 -13.516 1.00 1.11 C ATOM 857 NZ LYS A 55 -4.114 5.654 -14.722 1.00 1.69 N ATOM 0 H LYS A 55 -2.581 5.584 -7.558 1.00 0.52 H new ATOM 0 HA LYS A 55 -2.430 5.198 -10.477 1.00 0.58 H new ATOM 0 HB2 LYS A 55 -4.669 4.470 -9.696 1.00 0.72 H new ATOM 0 HB3 LYS A 55 -4.891 6.007 -8.884 1.00 0.72 H new ATOM 0 HG2 LYS A 55 -6.070 5.984 -11.032 1.00 0.95 H new ATOM 0 HG3 LYS A 55 -4.803 7.195 -11.039 1.00 0.95 H new ATOM 0 HD2 LYS A 55 -3.294 5.463 -12.157 1.00 0.94 H new ATOM 0 HD3 LYS A 55 -4.706 4.438 -12.318 1.00 0.94 H new ATOM 0 HE2 LYS A 55 -5.856 6.173 -13.641 1.00 1.11 H new ATOM 0 HE3 LYS A 55 -4.508 7.270 -13.417 1.00 1.11 H new ATOM 0 HZ1 LYS A 55 -4.487 6.122 -15.573 1.00 1.69 H new ATOM 0 HZ2 LYS A 55 -3.088 5.812 -14.662 1.00 1.69 H new ATOM 0 HZ3 LYS A 55 -4.305 4.633 -14.777 1.00 1.69 H new ATOM 871 N GLY A 56 -1.682 7.527 -10.597 1.00 0.77 N ATOM 872 CA GLY A 56 -1.213 8.898 -10.702 1.00 0.93 C ATOM 873 C GLY A 56 -0.407 9.336 -9.495 1.00 0.94 C ATOM 874 O GLY A 56 -0.632 10.428 -8.969 1.00 1.21 O ATOM 0 H GLY A 56 -1.326 6.900 -11.319 1.00 0.77 H new ATOM 0 HA2 GLY A 56 -0.602 9.001 -11.598 1.00 0.93 H new ATOM 0 HA3 GLY A 56 -2.069 9.562 -10.822 1.00 0.93 H new ATOM 878 N ASN A 57 0.500 8.466 -9.036 1.00 0.99 N ATOM 879 CA ASN A 57 1.387 8.754 -7.894 1.00 1.05 C ATOM 880 C ASN A 57 0.615 8.731 -6.563 1.00 0.97 C ATOM 881 O ASN A 57 1.196 8.857 -5.481 1.00 1.15 O ATOM 882 CB ASN A 57 2.138 10.089 -8.121 1.00 1.30 C ATOM 883 CG ASN A 57 1.934 11.124 -7.026 1.00 1.96 C ATOM 884 OD1 ASN A 57 2.713 11.203 -6.073 1.00 2.10 O ATOM 885 ND2 ASN A 57 0.890 11.928 -7.161 1.00 2.90 N ATOM 0 H ASN A 57 0.643 7.542 -9.443 1.00 0.99 H new ATOM 0 HA ASN A 57 2.136 7.965 -7.826 1.00 1.05 H new ATOM 0 HB2 ASN A 57 3.204 9.880 -8.211 1.00 1.30 H new ATOM 0 HB3 ASN A 57 1.815 10.515 -9.071 1.00 1.30 H new ATOM 0 HD21 ASN A 57 0.706 12.647 -6.461 1.00 2.90 H new ATOM 0 HD22 ASN A 57 0.270 11.829 -7.965 1.00 2.90 H new ATOM 892 N GLU A 58 -0.687 8.501 -6.648 1.00 0.86 N ATOM 893 CA GLU A 58 -1.537 8.465 -5.468 1.00 0.84 C ATOM 894 C GLU A 58 -1.923 7.041 -5.136 1.00 0.69 C ATOM 895 O GLU A 58 -2.062 6.204 -6.027 1.00 0.75 O ATOM 896 CB GLU A 58 -2.802 9.284 -5.686 1.00 0.88 C ATOM 897 CG GLU A 58 -2.541 10.741 -6.020 1.00 1.05 C ATOM 898 CD GLU A 58 -3.816 11.516 -6.269 1.00 1.30 C ATOM 899 OE1 GLU A 58 -4.588 11.125 -7.166 1.00 1.63 O ATOM 900 OE2 GLU A 58 -4.039 12.537 -5.588 1.00 1.66 O ATOM 0 H GLU A 58 -1.179 8.336 -7.526 1.00 0.86 H new ATOM 0 HA GLU A 58 -0.972 8.892 -4.640 1.00 0.84 H new ATOM 0 HB2 GLU A 58 -3.380 8.834 -6.493 1.00 0.88 H new ATOM 0 HB3 GLU A 58 -3.416 9.232 -4.787 1.00 0.88 H new ATOM 0 HG2 GLU A 58 -1.992 11.205 -5.201 1.00 1.05 H new ATOM 0 HG3 GLU A 58 -1.906 10.800 -6.904 1.00 1.05 H new ATOM 907 N ILE A 59 -2.094 6.766 -3.859 1.00 0.64 N ATOM 908 CA ILE A 59 -2.514 5.451 -3.427 1.00 0.56 C ATOM 909 C ILE A 59 -4.006 5.422 -3.113 1.00 0.55 C ATOM 910 O ILE A 59 -4.520 6.229 -2.341 1.00 0.63 O ATOM 911 CB ILE A 59 -1.665 4.952 -2.223 1.00 0.62 C ATOM 912 CG1 ILE A 59 -0.771 3.796 -2.674 1.00 0.79 C ATOM 913 CG2 ILE A 59 -2.521 4.529 -1.028 1.00 0.58 C ATOM 914 CD1 ILE A 59 -1.524 2.523 -3.000 1.00 0.92 C ATOM 0 H ILE A 59 -1.948 7.436 -3.104 1.00 0.64 H new ATOM 0 HA ILE A 59 -2.342 4.761 -4.253 1.00 0.56 H new ATOM 0 HB ILE A 59 -1.053 5.788 -1.885 1.00 0.62 H new ATOM 0 HG12 ILE A 59 -0.208 4.108 -3.554 1.00 0.79 H new ATOM 0 HG13 ILE A 59 -0.045 3.585 -1.889 1.00 0.79 H new ATOM 0 HG21 ILE A 59 -1.874 4.190 -0.219 1.00 0.58 H new ATOM 0 HG22 ILE A 59 -3.115 5.377 -0.687 1.00 0.58 H new ATOM 0 HG23 ILE A 59 -3.185 3.717 -1.325 1.00 0.58 H new ATOM 0 HD11 ILE A 59 -0.819 1.753 -3.311 1.00 0.92 H new ATOM 0 HD12 ILE A 59 -2.065 2.184 -2.117 1.00 0.92 H new ATOM 0 HD13 ILE A 59 -2.231 2.715 -3.807 1.00 0.92 H new ATOM 926 N PHE A 60 -4.689 4.511 -3.776 1.00 0.48 N ATOM 927 CA PHE A 60 -6.052 4.156 -3.446 1.00 0.48 C ATOM 928 C PHE A 60 -6.004 3.129 -2.331 1.00 0.48 C ATOM 929 O PHE A 60 -5.386 2.072 -2.466 1.00 0.45 O ATOM 930 CB PHE A 60 -6.749 3.617 -4.718 1.00 0.50 C ATOM 931 CG PHE A 60 -7.764 2.501 -4.538 1.00 0.48 C ATOM 932 CD1 PHE A 60 -7.370 1.220 -4.186 1.00 0.44 C ATOM 933 CD2 PHE A 60 -9.120 2.757 -4.660 1.00 0.69 C ATOM 934 CE1 PHE A 60 -8.313 0.227 -3.966 1.00 0.47 C ATOM 935 CE2 PHE A 60 -10.058 1.776 -4.450 1.00 0.71 C ATOM 936 CZ PHE A 60 -9.585 0.407 -4.313 1.00 0.54 C ATOM 0 H PHE A 60 -4.308 3.992 -4.567 1.00 0.48 H new ATOM 0 HA PHE A 60 -6.628 5.014 -3.099 1.00 0.48 H new ATOM 0 HB2 PHE A 60 -7.250 4.452 -5.208 1.00 0.50 H new ATOM 0 HB3 PHE A 60 -5.977 3.263 -5.401 1.00 0.50 H new ATOM 0 HD1 PHE A 60 -6.319 0.993 -4.082 1.00 0.44 H new ATOM 0 HD2 PHE A 60 -9.447 3.751 -4.926 1.00 0.69 H new ATOM 0 HE1 PHE A 60 -8.011 -0.703 -3.508 1.00 0.47 H new ATOM 0 HE2 PHE A 60 -11.110 2.013 -4.389 1.00 0.71 H new ATOM 0 HZ PHE A 60 -10.242 -0.432 -4.487 1.00 0.54 H new ATOM 946 N ARG A 61 -6.573 3.474 -1.198 1.00 0.60 N ATOM 947 CA ARG A 61 -6.749 2.506 -0.147 1.00 0.70 C ATOM 948 C ARG A 61 -8.236 2.285 0.018 1.00 0.69 C ATOM 949 O ARG A 61 -8.923 3.079 0.671 1.00 0.88 O ATOM 950 CB ARG A 61 -6.106 2.983 1.160 1.00 1.03 C ATOM 951 CG ARG A 61 -6.328 2.043 2.338 1.00 1.21 C ATOM 952 CD ARG A 61 -5.536 2.482 3.561 1.00 1.51 C ATOM 953 NE ARG A 61 -5.840 3.858 3.959 1.00 2.25 N ATOM 954 CZ ARG A 61 -5.383 4.433 5.075 1.00 2.70 C ATOM 955 NH1 ARG A 61 -4.622 3.745 5.921 1.00 2.72 N ATOM 956 NH2 ARG A 61 -5.703 5.695 5.355 1.00 3.56 N ATOM 0 H ARG A 61 -6.918 4.410 -0.985 1.00 0.60 H new ATOM 0 HA ARG A 61 -6.255 1.569 -0.406 1.00 0.70 H new ATOM 0 HB2 ARG A 61 -5.034 3.105 1.003 1.00 1.03 H new ATOM 0 HB3 ARG A 61 -6.505 3.966 1.412 1.00 1.03 H new ATOM 0 HG2 ARG A 61 -7.390 2.011 2.583 1.00 1.21 H new ATOM 0 HG3 ARG A 61 -6.035 1.031 2.058 1.00 1.21 H new ATOM 0 HD2 ARG A 61 -5.753 1.810 4.391 1.00 1.51 H new ATOM 0 HD3 ARG A 61 -4.470 2.395 3.351 1.00 1.51 H new ATOM 0 HE ARG A 61 -6.438 4.412 3.346 1.00 2.25 H new ATOM 0 HH11 ARG A 61 -4.385 2.774 5.719 1.00 2.72 H new ATOM 0 HH12 ARG A 61 -4.276 4.189 6.772 1.00 2.72 H new ATOM 0 HH21 ARG A 61 -6.298 6.224 4.717 1.00 3.56 H new ATOM 0 HH22 ARG A 61 -5.353 6.133 6.207 1.00 3.56 H new ATOM 970 N LEU A 62 -8.691 1.175 -0.566 1.00 0.78 N ATOM 971 CA LEU A 62 -10.117 0.861 -0.774 1.00 1.07 C ATOM 972 C LEU A 62 -10.976 2.093 -1.148 1.00 1.19 C ATOM 973 O LEU A 62 -12.204 2.009 -1.143 1.00 1.40 O ATOM 974 CB LEU A 62 -10.688 0.161 0.463 1.00 1.26 C ATOM 975 CG LEU A 62 -10.636 0.961 1.763 1.00 1.08 C ATOM 976 CD1 LEU A 62 -12.037 1.313 2.223 1.00 1.36 C ATOM 977 CD2 LEU A 62 -9.889 0.174 2.825 1.00 1.32 C ATOM 0 H LEU A 62 -8.068 0.448 -0.918 1.00 0.78 H new ATOM 0 HA LEU A 62 -10.164 0.191 -1.632 1.00 1.07 H new ATOM 0 HB2 LEU A 62 -11.726 -0.102 0.262 1.00 1.26 H new ATOM 0 HB3 LEU A 62 -10.146 -0.773 0.611 1.00 1.26 H new ATOM 0 HG LEU A 62 -10.099 1.893 1.588 1.00 1.08 H new ATOM 0 HD11 LEU A 62 -11.983 1.883 3.151 1.00 1.36 H new ATOM 0 HD12 LEU A 62 -12.532 1.911 1.458 1.00 1.36 H new ATOM 0 HD13 LEU A 62 -12.605 0.398 2.392 1.00 1.36 H new ATOM 0 HD21 LEU A 62 -9.856 0.751 3.749 1.00 1.32 H new ATOM 0 HD22 LEU A 62 -10.401 -0.771 3.005 1.00 1.32 H new ATOM 0 HD23 LEU A 62 -8.873 -0.023 2.484 1.00 1.32 H new