USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 624 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 71 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 75 MET CE :methyl -138:sc= -1.36 (180deg=-2.98!) USER MOD Set 2.1: A 27 HIS :FLIP no HD1:sc= -0.243 X(o=-7.5,f=-7.2) USER MOD Set 2.2: A 31 HIS :FLIP no HD1:sc= -6.96! X(o=-7.7,f=-7.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.00604 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.00864) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -165:sc= -0.152 (180deg=-0.667) USER MOD Single : A 12 LYS NZ :NH3+ 139:sc= -0.019 (180deg=-0.471) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.534 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN :FLIP amide:sc= -1.11 F(o=-1.9,f=-1.1) USER MOD Single : A 22 THR OG1 : rot 104:sc= 1.26 USER MOD Single : A 23 SER OG : rot 116:sc= 1.24 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.0111) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.215 K(o=-0.21,f=-1.9!) USER MOD Single : A 42 SER OG : rot -68:sc= -0.333 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 CYS SG : rot 123:sc= -0.906 USER MOD Single : A 46 SER OG : rot -100:sc= 1.18 USER MOD Single : A 50 LYS NZ :NH3+ -130:sc=-0.00629 (180deg=-0.238) USER MOD Single : A 51 THR OG1 : rot -96:sc= -0.488! USER MOD Single : A 52 MET CE :methyl -154:sc= -0.952 (180deg=-1.92) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 168:sc= 0.0572 (180deg=0.0101) USER MOD Single : A 58 SER OG : rot -123:sc= 1.22 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.715 10.286 1.962 1.00 0.00 N ATOM 2 CA MET A 1 -22.007 11.570 2.663 1.00 0.00 C ATOM 3 C MET A 1 -21.194 12.708 2.041 1.00 0.00 C ATOM 4 O MET A 1 -20.049 12.532 1.671 1.00 0.00 O ATOM 5 CB MET A 1 -21.582 11.336 4.112 1.00 0.00 C ATOM 6 CG MET A 1 -22.110 12.472 4.990 1.00 0.00 C ATOM 7 SD MET A 1 -21.938 12.018 6.734 1.00 0.00 S ATOM 8 CE MET A 1 -20.257 12.646 6.966 1.00 0.00 C ATOM 0 H1 MET A 1 -22.564 9.969 1.451 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.937 10.428 1.286 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.440 9.565 2.659 1.00 0.00 H new ATOM 0 HA MET A 1 -23.057 11.853 2.588 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.968 10.380 4.465 1.00 0.00 H new ATOM 0 HB3 MET A 1 -20.495 11.285 4.179 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.558 13.390 4.786 1.00 0.00 H new ATOM 0 HG3 MET A 1 -23.156 12.670 4.756 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.941 12.468 7.994 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.579 12.133 6.284 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.237 13.716 6.761 1.00 0.00 H new ATOM 20 N GLY A 2 -21.781 13.873 1.926 1.00 0.00 N ATOM 21 CA GLY A 2 -21.051 15.029 1.328 1.00 0.00 C ATOM 22 C GLY A 2 -21.047 14.900 -0.195 1.00 0.00 C ATOM 23 O GLY A 2 -20.432 14.009 -0.749 1.00 0.00 O ATOM 0 H GLY A 2 -22.737 14.072 2.222 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -21.527 15.964 1.623 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -20.028 15.060 1.703 1.00 0.00 H new ATOM 27 N LYS A 3 -21.730 15.787 -0.875 1.00 0.00 N ATOM 28 CA LYS A 3 -21.771 15.725 -2.369 1.00 0.00 C ATOM 29 C LYS A 3 -21.925 17.132 -2.955 1.00 0.00 C ATOM 30 O LYS A 3 -22.500 17.313 -4.011 1.00 0.00 O ATOM 31 CB LYS A 3 -22.992 14.859 -2.705 1.00 0.00 C ATOM 32 CG LYS A 3 -24.259 15.470 -2.092 1.00 0.00 C ATOM 33 CD LYS A 3 -24.565 14.785 -0.758 1.00 0.00 C ATOM 34 CE LYS A 3 -25.323 13.481 -1.015 1.00 0.00 C ATOM 35 NZ LYS A 3 -26.754 13.881 -1.115 1.00 0.00 N ATOM 0 H LYS A 3 -22.262 16.552 -0.460 1.00 0.00 H new ATOM 0 HA LYS A 3 -20.855 15.308 -2.788 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -23.104 14.779 -3.786 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -22.846 13.848 -2.324 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -24.122 16.541 -1.940 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -25.100 15.350 -2.775 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -23.639 14.580 -0.222 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -25.159 15.445 -0.126 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -24.982 13.001 -1.932 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -25.168 12.768 -0.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -27.274 13.173 -1.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -27.165 13.943 -0.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -26.824 14.807 -1.583 1.00 0.00 H new ATOM 49 N GLY A 4 -21.415 18.126 -2.273 1.00 0.00 N ATOM 50 CA GLY A 4 -21.526 19.524 -2.780 1.00 0.00 C ATOM 51 C GLY A 4 -20.180 19.968 -3.357 1.00 0.00 C ATOM 52 O GLY A 4 -19.187 19.274 -3.239 1.00 0.00 O ATOM 0 H GLY A 4 -20.925 18.027 -1.384 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.299 19.584 -3.546 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.825 20.192 -1.972 1.00 0.00 H new ATOM 56 N ASP A 5 -20.141 21.118 -3.979 1.00 0.00 N ATOM 57 CA ASP A 5 -18.862 21.616 -4.568 1.00 0.00 C ATOM 58 C ASP A 5 -18.836 23.154 -4.560 1.00 0.00 C ATOM 59 O ASP A 5 -18.629 23.770 -5.587 1.00 0.00 O ATOM 60 CB ASP A 5 -18.855 21.081 -6.002 1.00 0.00 C ATOM 61 CG ASP A 5 -17.434 21.150 -6.564 1.00 0.00 C ATOM 62 OD1 ASP A 5 -17.079 22.188 -7.098 1.00 0.00 O ATOM 63 OD2 ASP A 5 -16.725 20.164 -6.452 1.00 0.00 O ATOM 0 H ASP A 5 -20.943 21.736 -4.105 1.00 0.00 H new ATOM 0 HA ASP A 5 -17.989 21.285 -4.006 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -19.215 20.052 -6.020 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -19.532 21.667 -6.624 1.00 0.00 H new ATOM 68 N PRO A 6 -19.045 23.735 -3.397 1.00 0.00 N ATOM 69 CA PRO A 6 -19.038 25.217 -3.285 1.00 0.00 C ATOM 70 C PRO A 6 -17.612 25.744 -3.403 1.00 0.00 C ATOM 71 O PRO A 6 -17.351 26.737 -4.055 1.00 0.00 O ATOM 72 CB PRO A 6 -19.565 25.475 -1.877 1.00 0.00 C ATOM 73 CG PRO A 6 -19.230 24.234 -1.116 1.00 0.00 C ATOM 74 CD PRO A 6 -19.303 23.094 -2.095 1.00 0.00 C ATOM 0 HA PRO A 6 -19.628 25.703 -4.062 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -19.095 26.352 -1.432 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -20.639 25.658 -1.883 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -18.234 24.305 -0.678 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -19.930 24.083 -0.294 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -18.561 22.327 -1.872 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -20.279 22.610 -2.074 1.00 0.00 H new ATOM 82 N ASN A 7 -16.690 25.084 -2.752 1.00 0.00 N ATOM 83 CA ASN A 7 -15.271 25.532 -2.786 1.00 0.00 C ATOM 84 C ASN A 7 -14.338 24.320 -2.877 1.00 0.00 C ATOM 85 O ASN A 7 -13.454 24.269 -3.711 1.00 0.00 O ATOM 86 CB ASN A 7 -15.074 26.272 -1.456 1.00 0.00 C ATOM 87 CG ASN A 7 -14.957 27.776 -1.712 1.00 0.00 C ATOM 88 OD1 ASN A 7 -13.875 28.326 -1.692 1.00 0.00 O ATOM 89 ND2 ASN A 7 -16.038 28.467 -1.953 1.00 0.00 N ATOM 0 H ASN A 7 -16.863 24.248 -2.195 1.00 0.00 H new ATOM 0 HA ASN A 7 -15.047 26.164 -3.646 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -15.913 26.071 -0.790 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -14.176 25.908 -0.956 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -15.974 29.470 -2.125 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -16.946 28.004 -1.970 1.00 0.00 H new ATOM 96 N LYS A 8 -14.534 23.347 -2.024 1.00 0.00 N ATOM 97 CA LYS A 8 -13.663 22.132 -2.053 1.00 0.00 C ATOM 98 C LYS A 8 -14.192 21.121 -3.085 1.00 0.00 C ATOM 99 O LYS A 8 -15.332 21.209 -3.496 1.00 0.00 O ATOM 100 CB LYS A 8 -13.734 21.553 -0.633 1.00 0.00 C ATOM 101 CG LYS A 8 -15.185 21.189 -0.278 1.00 0.00 C ATOM 102 CD LYS A 8 -15.313 19.673 -0.095 1.00 0.00 C ATOM 103 CE LYS A 8 -15.120 19.318 1.381 1.00 0.00 C ATOM 104 NZ LYS A 8 -13.646 19.219 1.564 1.00 0.00 N ATOM 0 H LYS A 8 -15.260 23.341 -1.308 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.638 22.366 -2.341 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -13.102 20.668 -0.562 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.348 22.279 0.083 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.484 21.701 0.637 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.857 21.527 -1.067 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.292 19.336 -0.436 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.569 19.159 -0.704 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -15.548 20.082 2.030 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.612 18.378 1.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.439 18.738 2.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.234 18.676 0.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.233 20.173 1.579 1.00 0.00 H new ATOM 118 N PRO A 9 -13.349 20.188 -3.476 1.00 0.00 N ATOM 119 CA PRO A 9 -13.769 19.168 -4.471 1.00 0.00 C ATOM 120 C PRO A 9 -14.741 18.170 -3.836 1.00 0.00 C ATOM 121 O PRO A 9 -14.869 18.099 -2.628 1.00 0.00 O ATOM 122 CB PRO A 9 -12.462 18.482 -4.859 1.00 0.00 C ATOM 123 CG PRO A 9 -11.552 18.691 -3.692 1.00 0.00 C ATOM 124 CD PRO A 9 -11.955 19.990 -3.044 1.00 0.00 C ATOM 0 HA PRO A 9 -14.289 19.596 -5.328 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.616 17.421 -5.054 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.044 18.915 -5.768 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.636 17.865 -2.985 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.512 18.728 -4.016 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.878 19.935 -1.958 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -11.317 20.812 -3.368 1.00 0.00 H new ATOM 132 N ARG A 10 -15.426 17.401 -4.644 1.00 0.00 N ATOM 133 CA ARG A 10 -16.395 16.403 -4.096 1.00 0.00 C ATOM 134 C ARG A 10 -15.652 15.155 -3.614 1.00 0.00 C ATOM 135 O ARG A 10 -14.574 14.844 -4.083 1.00 0.00 O ATOM 136 CB ARG A 10 -17.320 16.061 -5.266 1.00 0.00 C ATOM 137 CG ARG A 10 -18.596 15.407 -4.733 1.00 0.00 C ATOM 138 CD ARG A 10 -19.285 14.637 -5.862 1.00 0.00 C ATOM 139 NE ARG A 10 -19.833 15.687 -6.765 1.00 0.00 N ATOM 140 CZ ARG A 10 -19.208 15.987 -7.871 1.00 0.00 C ATOM 141 NH1 ARG A 10 -19.056 15.085 -8.801 1.00 0.00 N ATOM 142 NH2 ARG A 10 -18.736 17.192 -8.046 1.00 0.00 N ATOM 0 H ARG A 10 -15.356 17.421 -5.661 1.00 0.00 H new ATOM 0 HA ARG A 10 -16.949 16.792 -3.242 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -17.567 16.964 -5.824 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.815 15.387 -5.958 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -18.356 14.732 -3.912 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -19.268 16.167 -4.334 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -18.580 13.993 -6.388 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -20.077 13.995 -5.476 1.00 0.00 H new ATOM 0 HE ARG A 10 -20.696 16.171 -6.519 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -19.426 14.144 -8.664 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -18.567 15.320 -9.665 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -18.856 17.897 -7.319 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -18.247 17.428 -8.910 1.00 0.00 H new ATOM 156 N GLY A 11 -16.225 14.438 -2.679 1.00 0.00 N ATOM 157 CA GLY A 11 -15.561 13.208 -2.158 1.00 0.00 C ATOM 158 C GLY A 11 -15.469 12.164 -3.272 1.00 0.00 C ATOM 159 O GLY A 11 -16.080 12.303 -4.315 1.00 0.00 O ATOM 0 H GLY A 11 -17.127 14.654 -2.254 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -14.564 13.449 -1.789 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -16.125 12.807 -1.316 1.00 0.00 H new ATOM 163 N LYS A 12 -14.711 11.120 -3.055 1.00 0.00 N ATOM 164 CA LYS A 12 -14.573 10.058 -4.097 1.00 0.00 C ATOM 165 C LYS A 12 -15.313 8.791 -3.660 1.00 0.00 C ATOM 166 O LYS A 12 -16.068 8.802 -2.706 1.00 0.00 O ATOM 167 CB LYS A 12 -13.070 9.795 -4.197 1.00 0.00 C ATOM 168 CG LYS A 12 -12.455 10.737 -5.236 1.00 0.00 C ATOM 169 CD LYS A 12 -10.946 10.840 -5.003 1.00 0.00 C ATOM 170 CE LYS A 12 -10.301 11.593 -6.170 1.00 0.00 C ATOM 171 NZ LYS A 12 -10.779 12.997 -6.034 1.00 0.00 N ATOM 0 H LYS A 12 -14.180 10.957 -2.199 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.998 10.359 -5.054 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.598 9.948 -3.227 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.889 8.758 -4.479 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.654 10.366 -6.241 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.913 11.724 -5.164 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.746 11.360 -4.066 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.512 9.844 -4.914 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.213 11.540 -6.121 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.598 11.166 -7.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.996 13.651 -6.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.553 13.167 -6.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.122 13.155 -5.065 1.00 0.00 H new ATOM 185 N MET A 13 -15.100 7.701 -4.352 1.00 0.00 N ATOM 186 CA MET A 13 -15.785 6.427 -3.985 1.00 0.00 C ATOM 187 C MET A 13 -14.806 5.490 -3.272 1.00 0.00 C ATOM 188 O MET A 13 -13.739 5.900 -2.854 1.00 0.00 O ATOM 189 CB MET A 13 -16.238 5.825 -5.316 1.00 0.00 C ATOM 190 CG MET A 13 -17.354 6.686 -5.912 1.00 0.00 C ATOM 191 SD MET A 13 -18.846 6.524 -4.901 1.00 0.00 S ATOM 192 CE MET A 13 -20.010 7.222 -6.098 1.00 0.00 C ATOM 0 H MET A 13 -14.478 7.639 -5.158 1.00 0.00 H new ATOM 0 HA MET A 13 -16.623 6.586 -3.306 1.00 0.00 H new ATOM 0 HB2 MET A 13 -15.397 5.771 -6.008 1.00 0.00 H new ATOM 0 HB3 MET A 13 -16.592 4.805 -5.164 1.00 0.00 H new ATOM 0 HG2 MET A 13 -17.041 7.729 -5.953 1.00 0.00 H new ATOM 0 HG3 MET A 13 -17.560 6.375 -6.936 1.00 0.00 H new ATOM 0 HE1 MET A 13 -21.014 7.219 -5.673 1.00 0.00 H new ATOM 0 HE2 MET A 13 -19.719 8.245 -6.334 1.00 0.00 H new ATOM 0 HE3 MET A 13 -19.999 6.622 -7.008 1.00 0.00 H new ATOM 202 N SER A 14 -15.163 4.240 -3.129 1.00 0.00 N ATOM 203 CA SER A 14 -14.259 3.272 -2.440 1.00 0.00 C ATOM 204 C SER A 14 -14.594 1.840 -2.870 1.00 0.00 C ATOM 205 O SER A 14 -15.494 1.615 -3.657 1.00 0.00 O ATOM 206 CB SER A 14 -14.536 3.477 -0.950 1.00 0.00 C ATOM 207 OG SER A 14 -14.136 2.320 -0.226 1.00 0.00 O ATOM 0 H SER A 14 -16.044 3.847 -3.461 1.00 0.00 H new ATOM 0 HA SER A 14 -13.208 3.431 -2.683 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.995 4.351 -0.586 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.597 3.669 -0.790 1.00 0.00 H new ATOM 0 HG SER A 14 -14.313 2.454 0.729 1.00 0.00 H new ATOM 213 N SER A 15 -13.872 0.874 -2.359 1.00 0.00 N ATOM 214 CA SER A 15 -14.140 -0.551 -2.735 1.00 0.00 C ATOM 215 C SER A 15 -15.581 -0.937 -2.382 1.00 0.00 C ATOM 216 O SER A 15 -16.167 -1.802 -3.004 1.00 0.00 O ATOM 217 CB SER A 15 -13.149 -1.378 -1.914 1.00 0.00 C ATOM 218 OG SER A 15 -13.521 -1.330 -0.543 1.00 0.00 O ATOM 0 H SER A 15 -13.108 1.009 -1.697 1.00 0.00 H new ATOM 0 HA SER A 15 -14.021 -0.718 -3.806 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.141 -2.410 -2.265 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.139 -0.989 -2.043 1.00 0.00 H new ATOM 0 HG SER A 15 -12.889 -1.860 -0.014 1.00 0.00 H new ATOM 224 N TYR A 16 -16.150 -0.299 -1.391 1.00 0.00 N ATOM 225 CA TYR A 16 -17.554 -0.624 -0.994 1.00 0.00 C ATOM 226 C TYR A 16 -18.543 0.049 -1.949 1.00 0.00 C ATOM 227 O TYR A 16 -19.634 -0.439 -2.170 1.00 0.00 O ATOM 228 CB TYR A 16 -17.710 -0.067 0.421 1.00 0.00 C ATOM 229 CG TYR A 16 -18.906 -0.710 1.083 1.00 0.00 C ATOM 230 CD1 TYR A 16 -18.787 -1.977 1.664 1.00 0.00 C ATOM 231 CD2 TYR A 16 -20.133 -0.037 1.115 1.00 0.00 C ATOM 232 CE1 TYR A 16 -19.896 -2.574 2.277 1.00 0.00 C ATOM 233 CE2 TYR A 16 -21.242 -0.633 1.727 1.00 0.00 C ATOM 234 CZ TYR A 16 -21.124 -1.901 2.309 1.00 0.00 C ATOM 235 OH TYR A 16 -22.217 -2.489 2.912 1.00 0.00 O ATOM 0 H TYR A 16 -15.703 0.433 -0.839 1.00 0.00 H new ATOM 0 HA TYR A 16 -17.754 -1.695 -1.032 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -16.809 -0.263 1.003 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -17.838 1.015 0.386 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -17.840 -2.495 1.640 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -20.224 0.942 0.668 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -19.804 -3.553 2.725 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -22.189 -0.114 1.750 1.00 0.00 H new ATOM 0 HH TYR A 16 -22.989 -1.888 2.847 1.00 0.00 H new ATOM 245 N ALA A 17 -18.165 1.169 -2.514 1.00 0.00 N ATOM 246 CA ALA A 17 -19.078 1.881 -3.458 1.00 0.00 C ATOM 247 C ALA A 17 -19.025 1.228 -4.841 1.00 0.00 C ATOM 248 O ALA A 17 -20.023 1.130 -5.530 1.00 0.00 O ATOM 249 CB ALA A 17 -18.548 3.315 -3.521 1.00 0.00 C ATOM 0 H ALA A 17 -17.263 1.620 -2.362 1.00 0.00 H new ATOM 0 HA ALA A 17 -20.117 1.846 -3.130 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -19.169 3.903 -4.197 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.576 3.757 -2.525 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.521 3.308 -3.886 1.00 0.00 H new ATOM 255 N PHE A 18 -17.865 0.778 -5.249 1.00 0.00 N ATOM 256 CA PHE A 18 -17.737 0.126 -6.588 1.00 0.00 C ATOM 257 C PHE A 18 -18.436 -1.237 -6.578 1.00 0.00 C ATOM 258 O PHE A 18 -18.923 -1.701 -7.592 1.00 0.00 O ATOM 259 CB PHE A 18 -16.233 -0.047 -6.812 1.00 0.00 C ATOM 260 CG PHE A 18 -15.694 1.144 -7.567 1.00 0.00 C ATOM 261 CD1 PHE A 18 -15.674 1.135 -8.967 1.00 0.00 C ATOM 262 CD2 PHE A 18 -15.211 2.257 -6.868 1.00 0.00 C ATOM 263 CE1 PHE A 18 -15.173 2.239 -9.668 1.00 0.00 C ATOM 264 CE2 PHE A 18 -14.710 3.361 -7.568 1.00 0.00 C ATOM 265 CZ PHE A 18 -14.691 3.352 -8.969 1.00 0.00 C ATOM 0 H PHE A 18 -17.000 0.834 -4.712 1.00 0.00 H new ATOM 0 HA PHE A 18 -18.198 0.718 -7.378 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.721 -0.146 -5.855 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -16.041 -0.962 -7.372 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.045 0.276 -9.507 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -15.225 2.264 -5.788 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.158 2.232 -10.748 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -14.338 4.219 -7.028 1.00 0.00 H new ATOM 0 HZ PHE A 18 -14.305 4.203 -9.509 1.00 0.00 H new ATOM 275 N PHE A 19 -18.488 -1.877 -5.438 1.00 0.00 N ATOM 276 CA PHE A 19 -19.155 -3.214 -5.352 1.00 0.00 C ATOM 277 C PHE A 19 -20.642 -3.083 -5.691 1.00 0.00 C ATOM 278 O PHE A 19 -21.186 -3.870 -6.444 1.00 0.00 O ATOM 279 CB PHE A 19 -18.975 -3.661 -3.899 1.00 0.00 C ATOM 280 CG PHE A 19 -19.371 -5.111 -3.766 1.00 0.00 C ATOM 281 CD1 PHE A 19 -18.630 -6.103 -4.419 1.00 0.00 C ATOM 282 CD2 PHE A 19 -20.479 -5.464 -2.986 1.00 0.00 C ATOM 283 CE1 PHE A 19 -18.998 -7.448 -4.293 1.00 0.00 C ATOM 284 CE2 PHE A 19 -20.846 -6.809 -2.860 1.00 0.00 C ATOM 285 CZ PHE A 19 -20.106 -7.801 -3.514 1.00 0.00 C ATOM 0 H PHE A 19 -18.097 -1.532 -4.561 1.00 0.00 H new ATOM 0 HA PHE A 19 -18.728 -3.932 -6.052 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -17.938 -3.527 -3.592 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.585 -3.044 -3.239 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -17.775 -5.831 -5.020 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -21.050 -4.699 -2.482 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -18.427 -8.213 -4.797 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -21.700 -7.081 -2.258 1.00 0.00 H new ATOM 0 HZ PHE A 19 -20.390 -8.839 -3.418 1.00 0.00 H new ATOM 295 N VAL A 20 -21.301 -2.095 -5.141 1.00 0.00 N ATOM 296 CA VAL A 20 -22.756 -1.905 -5.427 1.00 0.00 C ATOM 297 C VAL A 20 -22.938 -1.276 -6.813 1.00 0.00 C ATOM 298 O VAL A 20 -23.891 -1.563 -7.511 1.00 0.00 O ATOM 299 CB VAL A 20 -23.263 -0.962 -4.329 1.00 0.00 C ATOM 300 CG1 VAL A 20 -24.756 -0.686 -4.530 1.00 0.00 C ATOM 301 CG2 VAL A 20 -23.050 -1.611 -2.960 1.00 0.00 C ATOM 0 H VAL A 20 -20.893 -1.410 -4.505 1.00 0.00 H new ATOM 0 HA VAL A 20 -23.305 -2.847 -5.430 1.00 0.00 H new ATOM 0 HB VAL A 20 -22.711 -0.023 -4.381 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -25.111 -0.016 -3.747 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -24.912 -0.222 -5.504 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -25.309 -1.624 -4.482 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -23.410 -0.941 -2.180 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -23.600 -2.551 -2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -21.988 -1.804 -2.810 1.00 0.00 H new ATOM 311 N GLN A 21 -22.029 -0.423 -7.211 1.00 0.00 N ATOM 312 CA GLN A 21 -22.140 0.227 -8.553 1.00 0.00 C ATOM 313 C GLN A 21 -21.937 -0.811 -9.659 1.00 0.00 C ATOM 314 O GLN A 21 -22.582 -0.767 -10.689 1.00 0.00 O ATOM 315 CB GLN A 21 -21.027 1.276 -8.589 1.00 0.00 C ATOM 316 CG GLN A 21 -21.269 2.239 -9.751 1.00 0.00 C ATOM 317 CD GLN A 21 -20.623 1.682 -11.021 1.00 0.00 C ATOM 318 OE1 GLN A 21 -21.377 1.158 -11.947 1.00 0.00 O flip ATOM 319 NE2 GLN A 21 -19.417 1.723 -11.171 1.00 0.00 N flip ATOM 0 H GLN A 21 -21.213 -0.148 -6.664 1.00 0.00 H new ATOM 0 HA GLN A 21 -23.121 0.675 -8.712 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -21.000 1.825 -7.648 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -20.058 0.790 -8.702 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -22.339 2.377 -9.906 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -20.852 3.219 -9.518 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -18.827 2.133 -10.447 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -18.996 1.348 -12.021 1.00 0.00 H new ATOM 328 N THR A 22 -21.044 -1.745 -9.448 1.00 0.00 N ATOM 329 CA THR A 22 -20.791 -2.794 -10.481 1.00 0.00 C ATOM 330 C THR A 22 -21.850 -3.896 -10.384 1.00 0.00 C ATOM 331 O THR A 22 -22.179 -4.541 -11.362 1.00 0.00 O ATOM 332 CB THR A 22 -19.405 -3.352 -10.152 1.00 0.00 C ATOM 333 OG1 THR A 22 -18.471 -2.284 -10.081 1.00 0.00 O ATOM 334 CG2 THR A 22 -18.977 -4.337 -11.240 1.00 0.00 C ATOM 0 H THR A 22 -20.478 -1.826 -8.603 1.00 0.00 H new ATOM 0 HA THR A 22 -20.838 -2.395 -11.494 1.00 0.00 H new ATOM 0 HB THR A 22 -19.439 -3.869 -9.193 1.00 0.00 H new ATOM 0 HG1 THR A 22 -18.267 -2.090 -9.142 1.00 0.00 H new ATOM 0 HG21 THR A 22 -17.989 -4.733 -11.004 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.694 -5.156 -11.292 1.00 0.00 H new ATOM 0 HG23 THR A 22 -18.942 -3.825 -12.201 1.00 0.00 H new ATOM 342 N SER A 23 -22.385 -4.112 -9.208 1.00 0.00 N ATOM 343 CA SER A 23 -23.427 -5.171 -9.036 1.00 0.00 C ATOM 344 C SER A 23 -24.791 -4.660 -9.513 1.00 0.00 C ATOM 345 O SER A 23 -25.648 -5.434 -9.898 1.00 0.00 O ATOM 346 CB SER A 23 -23.459 -5.457 -7.535 1.00 0.00 C ATOM 347 OG SER A 23 -22.243 -6.085 -7.151 1.00 0.00 O ATOM 0 H SER A 23 -22.145 -3.600 -8.359 1.00 0.00 H new ATOM 0 HA SER A 23 -23.203 -6.065 -9.618 1.00 0.00 H new ATOM 0 HB2 SER A 23 -23.594 -4.529 -6.979 1.00 0.00 H new ATOM 0 HB3 SER A 23 -24.306 -6.099 -7.293 1.00 0.00 H new ATOM 0 HG SER A 23 -21.757 -5.504 -6.529 1.00 0.00 H new ATOM 353 N ARG A 24 -24.995 -3.366 -9.493 1.00 0.00 N ATOM 354 CA ARG A 24 -26.304 -2.803 -9.946 1.00 0.00 C ATOM 355 C ARG A 24 -26.388 -2.839 -11.473 1.00 0.00 C ATOM 356 O ARG A 24 -27.381 -3.257 -12.039 1.00 0.00 O ATOM 357 CB ARG A 24 -26.315 -1.358 -9.442 1.00 0.00 C ATOM 358 CG ARG A 24 -27.749 -0.826 -9.450 1.00 0.00 C ATOM 359 CD ARG A 24 -28.026 -0.121 -10.779 1.00 0.00 C ATOM 360 NE ARG A 24 -27.641 1.298 -10.549 1.00 0.00 N ATOM 361 CZ ARG A 24 -27.053 1.977 -11.496 1.00 0.00 C ATOM 362 NH1 ARG A 24 -27.673 2.198 -12.622 1.00 0.00 N ATOM 363 NH2 ARG A 24 -25.843 2.434 -11.316 1.00 0.00 N ATOM 0 H ARG A 24 -24.312 -2.675 -9.183 1.00 0.00 H new ATOM 0 HA ARG A 24 -27.153 -3.371 -9.564 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -25.904 -1.310 -8.434 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -25.682 -0.736 -10.075 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -28.453 -1.646 -9.308 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -27.895 -0.133 -8.621 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -27.444 -0.562 -11.588 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -29.076 -0.205 -11.059 1.00 0.00 H new ATOM 0 HE ARG A 24 -27.837 1.740 -9.651 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -28.618 1.840 -12.763 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -27.213 2.729 -13.362 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -25.358 2.260 -10.436 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -25.383 2.965 -12.056 1.00 0.00 H new ATOM 377 N GLU A 25 -25.351 -2.403 -12.142 1.00 0.00 N ATOM 378 CA GLU A 25 -25.356 -2.407 -13.635 1.00 0.00 C ATOM 379 C GLU A 25 -25.550 -3.833 -14.166 1.00 0.00 C ATOM 380 O GLU A 25 -26.059 -4.033 -15.254 1.00 0.00 O ATOM 381 CB GLU A 25 -23.983 -1.852 -14.036 1.00 0.00 C ATOM 382 CG GLU A 25 -22.866 -2.746 -13.482 1.00 0.00 C ATOM 383 CD GLU A 25 -21.533 -2.343 -14.113 1.00 0.00 C ATOM 384 OE1 GLU A 25 -20.962 -1.360 -13.670 1.00 0.00 O ATOM 385 OE2 GLU A 25 -21.103 -3.025 -15.030 1.00 0.00 O ATOM 0 H GLU A 25 -24.497 -2.043 -11.715 1.00 0.00 H new ATOM 0 HA GLU A 25 -26.170 -1.811 -14.049 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -23.909 -1.796 -15.122 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -23.868 -0.837 -13.656 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -22.812 -2.649 -12.398 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -23.082 -3.792 -13.698 1.00 0.00 H new ATOM 392 N GLU A 26 -25.150 -4.820 -13.404 1.00 0.00 N ATOM 393 CA GLU A 26 -25.309 -6.235 -13.855 1.00 0.00 C ATOM 394 C GLU A 26 -26.684 -6.774 -13.444 1.00 0.00 C ATOM 395 O GLU A 26 -27.205 -7.689 -14.053 1.00 0.00 O ATOM 396 CB GLU A 26 -24.198 -7.004 -13.141 1.00 0.00 C ATOM 397 CG GLU A 26 -24.106 -8.419 -13.714 1.00 0.00 C ATOM 398 CD GLU A 26 -22.904 -9.141 -13.101 1.00 0.00 C ATOM 399 OE1 GLU A 26 -22.946 -9.420 -11.915 1.00 0.00 O ATOM 400 OE2 GLU A 26 -21.960 -9.403 -13.830 1.00 0.00 O ATOM 0 H GLU A 26 -24.719 -4.706 -12.487 1.00 0.00 H new ATOM 0 HA GLU A 26 -25.243 -6.332 -14.939 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -23.246 -6.488 -13.265 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -24.400 -7.046 -12.071 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -25.022 -8.970 -13.500 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -24.005 -8.378 -14.798 1.00 0.00 H new ATOM 407 N HIS A 27 -27.273 -6.215 -12.416 1.00 0.00 N ATOM 408 CA HIS A 27 -28.616 -6.693 -11.963 1.00 0.00 C ATOM 409 C HIS A 27 -29.675 -6.379 -13.025 1.00 0.00 C ATOM 410 O HIS A 27 -30.484 -7.218 -13.373 1.00 0.00 O ATOM 411 CB HIS A 27 -28.905 -5.921 -10.674 1.00 0.00 C ATOM 412 CG HIS A 27 -30.187 -6.420 -10.066 1.00 0.00 C ATOM 413 ND1 HIS A 27 -31.502 -6.125 -10.326 1.00 0.00 N flip ATOM 414 CD2 HIS A 27 -30.205 -7.354 -9.042 1.00 0.00 C flip ATOM 415 CE1 HIS A 27 -32.325 -6.860 -9.478 1.00 0.00 C flip ATOM 416 NE2 HIS A 27 -31.492 -7.585 -8.725 1.00 0.00 N flip ATOM 0 H HIS A 27 -26.881 -5.447 -11.870 1.00 0.00 H new ATOM 0 HA HIS A 27 -28.635 -7.771 -11.802 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -28.083 -6.048 -9.970 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -28.982 -4.855 -10.886 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -29.342 -7.813 -8.582 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -33.404 -6.847 -9.437 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -31.795 -8.234 -7.999 1.00 0.00 H new ATOM 424 N LYS A 28 -29.674 -5.174 -13.536 1.00 0.00 N ATOM 425 CA LYS A 28 -30.680 -4.791 -14.576 1.00 0.00 C ATOM 426 C LYS A 28 -30.525 -5.670 -15.822 1.00 0.00 C ATOM 427 O LYS A 28 -31.481 -5.929 -16.528 1.00 0.00 O ATOM 428 CB LYS A 28 -30.376 -3.331 -14.914 1.00 0.00 C ATOM 429 CG LYS A 28 -30.955 -2.422 -13.828 1.00 0.00 C ATOM 430 CD LYS A 28 -30.929 -0.970 -14.309 1.00 0.00 C ATOM 431 CE LYS A 28 -31.577 -0.070 -13.255 1.00 0.00 C ATOM 432 NZ LYS A 28 -31.418 1.314 -13.781 1.00 0.00 N ATOM 0 H LYS A 28 -29.019 -4.436 -13.278 1.00 0.00 H new ATOM 0 HA LYS A 28 -31.702 -4.923 -14.220 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -29.299 -3.182 -14.991 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -30.804 -3.075 -15.883 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -31.977 -2.721 -13.596 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -30.377 -2.522 -12.909 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -29.902 -0.654 -14.490 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -31.461 -0.880 -15.256 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -32.628 -0.321 -13.114 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -31.090 -0.183 -12.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -31.839 1.990 -13.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -30.407 1.527 -13.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -31.897 1.393 -14.701 1.00 0.00 H new ATOM 446 N LYS A 29 -29.328 -6.123 -16.096 1.00 0.00 N ATOM 447 CA LYS A 29 -29.105 -6.982 -17.302 1.00 0.00 C ATOM 448 C LYS A 29 -29.936 -8.265 -17.205 1.00 0.00 C ATOM 449 O LYS A 29 -30.300 -8.851 -18.207 1.00 0.00 O ATOM 450 CB LYS A 29 -27.610 -7.311 -17.293 1.00 0.00 C ATOM 451 CG LYS A 29 -26.822 -6.126 -17.855 1.00 0.00 C ATOM 452 CD LYS A 29 -25.389 -6.566 -18.161 1.00 0.00 C ATOM 453 CE LYS A 29 -25.374 -7.409 -19.438 1.00 0.00 C ATOM 454 NZ LYS A 29 -23.947 -7.442 -19.861 1.00 0.00 N ATOM 0 H LYS A 29 -28.495 -5.936 -15.538 1.00 0.00 H new ATOM 0 HA LYS A 29 -29.405 -6.479 -18.221 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -27.281 -7.531 -16.277 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -27.420 -8.203 -17.889 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -27.301 -5.754 -18.761 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -26.817 -5.306 -17.137 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -24.747 -5.693 -18.282 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -24.989 -7.143 -17.327 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -25.754 -8.414 -19.252 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -26.004 -6.967 -20.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -23.856 -8.003 -20.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -23.615 -6.472 -20.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -23.372 -7.874 -19.110 1.00 0.00 H new ATOM 468 N LYS A 30 -30.237 -8.704 -16.009 1.00 0.00 N ATOM 469 CA LYS A 30 -31.045 -9.951 -15.845 1.00 0.00 C ATOM 470 C LYS A 30 -32.275 -9.698 -14.962 1.00 0.00 C ATOM 471 O LYS A 30 -32.875 -10.625 -14.450 1.00 0.00 O ATOM 472 CB LYS A 30 -30.097 -10.956 -15.178 1.00 0.00 C ATOM 473 CG LYS A 30 -29.605 -10.408 -13.828 1.00 0.00 C ATOM 474 CD LYS A 30 -28.078 -10.284 -13.842 1.00 0.00 C ATOM 475 CE LYS A 30 -27.451 -11.677 -13.758 1.00 0.00 C ATOM 476 NZ LYS A 30 -27.385 -11.983 -12.303 1.00 0.00 N ATOM 0 H LYS A 30 -29.958 -8.252 -15.138 1.00 0.00 H new ATOM 0 HA LYS A 30 -31.424 -10.316 -16.800 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -30.610 -11.906 -15.028 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -29.246 -11.153 -15.831 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -30.056 -9.435 -13.634 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -29.918 -11.070 -13.021 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -27.752 -9.781 -14.753 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -27.745 -9.673 -13.003 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -28.054 -12.414 -14.289 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -26.459 -11.691 -14.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -27.431 -13.012 -12.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -26.492 -11.620 -11.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -28.185 -11.531 -11.816 1.00 0.00 H new ATOM 490 N HIS A 31 -32.658 -8.456 -14.783 1.00 0.00 N ATOM 491 CA HIS A 31 -33.853 -8.150 -13.937 1.00 0.00 C ATOM 492 C HIS A 31 -34.608 -6.936 -14.507 1.00 0.00 C ATOM 493 O HIS A 31 -34.535 -5.854 -13.956 1.00 0.00 O ATOM 494 CB HIS A 31 -33.289 -7.835 -12.549 1.00 0.00 C ATOM 495 CG HIS A 31 -32.592 -9.049 -12.001 1.00 0.00 C ATOM 496 ND1 HIS A 31 -31.322 -9.237 -11.513 1.00 0.00 N flip ATOM 497 CD2 HIS A 31 -33.216 -10.283 -11.911 1.00 0.00 C flip ATOM 498 CE1 HIS A 31 -31.158 -10.564 -11.128 1.00 0.00 C flip ATOM 499 NE2 HIS A 31 -32.330 -11.149 -11.390 1.00 0.00 N flip ATOM 0 H HIS A 31 -32.194 -7.642 -15.186 1.00 0.00 H new ATOM 0 HA HIS A 31 -34.562 -8.977 -13.906 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -32.592 -6.999 -12.610 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -34.093 -7.531 -11.879 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -34.230 -10.508 -12.206 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -30.275 -11.022 -10.708 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -32.529 -12.134 -11.216 1.00 0.00 H new ATOM 507 N PRO A 32 -35.315 -7.146 -15.597 1.00 0.00 N ATOM 508 CA PRO A 32 -36.078 -6.036 -16.221 1.00 0.00 C ATOM 509 C PRO A 32 -37.307 -5.692 -15.376 1.00 0.00 C ATOM 510 O PRO A 32 -37.662 -4.537 -15.225 1.00 0.00 O ATOM 511 CB PRO A 32 -36.492 -6.600 -17.578 1.00 0.00 C ATOM 512 CG PRO A 32 -36.501 -8.084 -17.396 1.00 0.00 C ATOM 513 CD PRO A 32 -35.473 -8.407 -16.344 1.00 0.00 C ATOM 0 HA PRO A 32 -35.500 -5.116 -16.307 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -37.475 -6.233 -17.874 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -35.792 -6.303 -18.359 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -37.488 -8.428 -17.088 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -36.265 -8.588 -18.333 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -35.808 -9.216 -15.695 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -34.532 -8.726 -16.791 1.00 0.00 H new ATOM 521 N ASP A 33 -37.957 -6.686 -14.826 1.00 0.00 N ATOM 522 CA ASP A 33 -39.165 -6.427 -13.988 1.00 0.00 C ATOM 523 C ASP A 33 -38.803 -6.496 -12.502 1.00 0.00 C ATOM 524 O ASP A 33 -39.468 -7.152 -11.722 1.00 0.00 O ATOM 525 CB ASP A 33 -40.146 -7.542 -14.354 1.00 0.00 C ATOM 526 CG ASP A 33 -41.554 -7.152 -13.900 1.00 0.00 C ATOM 527 OD1 ASP A 33 -42.220 -6.448 -14.639 1.00 0.00 O ATOM 528 OD2 ASP A 33 -41.942 -7.566 -12.820 1.00 0.00 O ATOM 0 H ASP A 33 -37.702 -7.669 -14.922 1.00 0.00 H new ATOM 0 HA ASP A 33 -39.587 -5.438 -14.165 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -40.134 -7.713 -15.430 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -39.845 -8.476 -13.880 1.00 0.00 H new ATOM 533 N SER A 34 -37.752 -5.822 -12.107 1.00 0.00 N ATOM 534 CA SER A 34 -37.338 -5.843 -10.672 1.00 0.00 C ATOM 535 C SER A 34 -36.366 -4.696 -10.382 1.00 0.00 C ATOM 536 O SER A 34 -35.216 -4.732 -10.778 1.00 0.00 O ATOM 537 CB SER A 34 -36.649 -7.192 -10.479 1.00 0.00 C ATOM 538 OG SER A 34 -36.901 -7.663 -9.161 1.00 0.00 O ATOM 0 H SER A 34 -37.162 -5.257 -12.718 1.00 0.00 H new ATOM 0 HA SER A 34 -38.185 -5.717 -9.997 1.00 0.00 H new ATOM 0 HB2 SER A 34 -37.018 -7.910 -11.211 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.576 -7.092 -10.643 1.00 0.00 H new ATOM 0 HG SER A 34 -36.462 -8.530 -9.034 1.00 0.00 H new ATOM 544 N SER A 35 -36.821 -3.683 -9.690 1.00 0.00 N ATOM 545 CA SER A 35 -35.929 -2.528 -9.365 1.00 0.00 C ATOM 546 C SER A 35 -34.938 -2.919 -8.273 1.00 0.00 C ATOM 547 O SER A 35 -34.792 -4.081 -7.942 1.00 0.00 O ATOM 548 CB SER A 35 -36.863 -1.422 -8.874 1.00 0.00 C ATOM 549 OG SER A 35 -37.655 -0.960 -9.961 1.00 0.00 O ATOM 0 H SER A 35 -37.774 -3.605 -9.335 1.00 0.00 H new ATOM 0 HA SER A 35 -35.343 -2.207 -10.226 1.00 0.00 H new ATOM 0 HB2 SER A 35 -37.503 -1.798 -8.076 1.00 0.00 H new ATOM 0 HB3 SER A 35 -36.283 -0.599 -8.456 1.00 0.00 H new ATOM 0 HG SER A 35 -38.257 -0.252 -9.650 1.00 0.00 H new ATOM 555 N VAL A 36 -34.248 -1.957 -7.720 1.00 0.00 N ATOM 556 CA VAL A 36 -33.248 -2.266 -6.651 1.00 0.00 C ATOM 557 C VAL A 36 -32.785 -0.989 -5.957 1.00 0.00 C ATOM 558 O VAL A 36 -31.822 -0.369 -6.366 1.00 0.00 O ATOM 559 CB VAL A 36 -32.034 -2.950 -7.330 1.00 0.00 C ATOM 560 CG1 VAL A 36 -32.174 -4.464 -7.213 1.00 0.00 C ATOM 561 CG2 VAL A 36 -31.903 -2.565 -8.814 1.00 0.00 C ATOM 0 H VAL A 36 -34.332 -0.969 -7.961 1.00 0.00 H new ATOM 0 HA VAL A 36 -33.698 -2.915 -5.900 1.00 0.00 H new ATOM 0 HB VAL A 36 -31.135 -2.607 -6.818 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -31.321 -4.946 -7.690 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -32.208 -4.746 -6.161 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -33.093 -4.783 -7.704 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -31.038 -3.069 -9.246 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -32.803 -2.867 -9.349 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -31.774 -1.486 -8.900 1.00 0.00 H new ATOM 571 N ASN A 37 -33.439 -0.609 -4.886 1.00 0.00 N ATOM 572 CA ASN A 37 -33.002 0.612 -4.144 1.00 0.00 C ATOM 573 C ASN A 37 -31.599 0.355 -3.594 1.00 0.00 C ATOM 574 O ASN A 37 -31.274 -0.761 -3.232 1.00 0.00 O ATOM 575 CB ASN A 37 -34.010 0.783 -3.004 1.00 0.00 C ATOM 576 CG ASN A 37 -35.150 1.694 -3.462 1.00 0.00 C ATOM 577 OD1 ASN A 37 -34.943 2.595 -4.251 1.00 0.00 O ATOM 578 ND2 ASN A 37 -36.353 1.496 -2.998 1.00 0.00 N ATOM 0 H ASN A 37 -34.251 -1.089 -4.497 1.00 0.00 H new ATOM 0 HA ASN A 37 -32.968 1.506 -4.766 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -34.404 -0.188 -2.705 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -33.518 1.210 -2.130 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -37.120 2.097 -3.297 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -36.526 0.740 -2.336 1.00 0.00 H new ATOM 585 N PHE A 38 -30.753 1.355 -3.548 1.00 0.00 N ATOM 586 CA PHE A 38 -29.360 1.125 -3.041 1.00 0.00 C ATOM 587 C PHE A 38 -29.390 0.472 -1.659 1.00 0.00 C ATOM 588 O PHE A 38 -28.565 -0.354 -1.350 1.00 0.00 O ATOM 589 CB PHE A 38 -28.688 2.500 -2.956 1.00 0.00 C ATOM 590 CG PHE A 38 -28.767 3.202 -4.293 1.00 0.00 C ATOM 591 CD1 PHE A 38 -27.959 2.774 -5.355 1.00 0.00 C ATOM 592 CD2 PHE A 38 -29.645 4.277 -4.471 1.00 0.00 C ATOM 593 CE1 PHE A 38 -28.029 3.422 -6.594 1.00 0.00 C ATOM 594 CE2 PHE A 38 -29.715 4.925 -5.711 1.00 0.00 C ATOM 595 CZ PHE A 38 -28.908 4.497 -6.771 1.00 0.00 C ATOM 0 H PHE A 38 -30.961 2.311 -3.836 1.00 0.00 H new ATOM 0 HA PHE A 38 -28.814 0.457 -3.707 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -29.175 3.104 -2.190 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -27.646 2.386 -2.658 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -27.282 1.944 -5.218 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -30.268 4.607 -3.653 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -27.406 3.093 -7.412 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -30.392 5.755 -5.849 1.00 0.00 H new ATOM 0 HZ PHE A 38 -28.963 4.997 -7.727 1.00 0.00 H new ATOM 605 N ALA A 39 -30.337 0.829 -0.829 1.00 0.00 N ATOM 606 CA ALA A 39 -30.405 0.208 0.529 1.00 0.00 C ATOM 607 C ALA A 39 -30.949 -1.209 0.425 1.00 0.00 C ATOM 608 O ALA A 39 -30.422 -2.126 1.025 1.00 0.00 O ATOM 609 CB ALA A 39 -31.345 1.100 1.342 1.00 0.00 C ATOM 0 H ALA A 39 -31.061 1.518 -1.030 1.00 0.00 H new ATOM 0 HA ALA A 39 -29.425 0.137 1.000 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -31.441 0.702 2.352 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -30.939 2.111 1.387 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -32.326 1.124 0.867 1.00 0.00 H new ATOM 615 N GLU A 40 -31.982 -1.402 -0.351 1.00 0.00 N ATOM 616 CA GLU A 40 -32.538 -2.776 -0.513 1.00 0.00 C ATOM 617 C GLU A 40 -31.489 -3.685 -1.169 1.00 0.00 C ATOM 618 O GLU A 40 -31.606 -4.896 -1.132 1.00 0.00 O ATOM 619 CB GLU A 40 -33.759 -2.616 -1.421 1.00 0.00 C ATOM 620 CG GLU A 40 -34.851 -1.846 -0.676 1.00 0.00 C ATOM 621 CD GLU A 40 -35.476 -2.748 0.390 1.00 0.00 C ATOM 622 OE1 GLU A 40 -34.870 -2.902 1.438 1.00 0.00 O ATOM 623 OE2 GLU A 40 -36.550 -3.272 0.140 1.00 0.00 O ATOM 0 H GLU A 40 -32.462 -0.672 -0.877 1.00 0.00 H new ATOM 0 HA GLU A 40 -32.808 -3.230 0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -33.481 -2.085 -2.332 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -34.131 -3.595 -1.724 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -34.430 -0.955 -0.211 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -35.615 -1.509 -1.376 1.00 0.00 H new ATOM 630 N PHE A 41 -30.467 -3.113 -1.774 1.00 0.00 N ATOM 631 CA PHE A 41 -29.425 -3.951 -2.431 1.00 0.00 C ATOM 632 C PHE A 41 -28.102 -3.900 -1.660 1.00 0.00 C ATOM 633 O PHE A 41 -27.505 -4.920 -1.373 1.00 0.00 O ATOM 634 CB PHE A 41 -29.264 -3.355 -3.831 1.00 0.00 C ATOM 635 CG PHE A 41 -28.400 -4.263 -4.671 1.00 0.00 C ATOM 636 CD1 PHE A 41 -28.798 -5.583 -4.914 1.00 0.00 C ATOM 637 CD2 PHE A 41 -27.199 -3.784 -5.210 1.00 0.00 C ATOM 638 CE1 PHE A 41 -27.997 -6.423 -5.695 1.00 0.00 C ATOM 639 CE2 PHE A 41 -26.398 -4.625 -5.992 1.00 0.00 C ATOM 640 CZ PHE A 41 -26.797 -5.944 -6.234 1.00 0.00 C ATOM 0 H PHE A 41 -30.317 -2.106 -1.837 1.00 0.00 H new ATOM 0 HA PHE A 41 -29.712 -5.002 -2.462 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -30.241 -3.230 -4.299 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -28.813 -2.365 -3.766 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -29.724 -5.953 -4.498 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -26.891 -2.766 -5.022 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -28.304 -7.441 -5.882 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -25.472 -4.256 -6.408 1.00 0.00 H new ATOM 0 HZ PHE A 41 -26.179 -6.593 -6.837 1.00 0.00 H new ATOM 650 N SER A 42 -27.638 -2.723 -1.319 1.00 0.00 N ATOM 651 CA SER A 42 -26.348 -2.600 -0.560 1.00 0.00 C ATOM 652 C SER A 42 -26.389 -3.465 0.707 1.00 0.00 C ATOM 653 O SER A 42 -25.367 -3.903 1.203 1.00 0.00 O ATOM 654 CB SER A 42 -26.238 -1.116 -0.197 1.00 0.00 C ATOM 655 OG SER A 42 -27.245 -0.787 0.752 1.00 0.00 O ATOM 0 H SER A 42 -28.097 -1.837 -1.533 1.00 0.00 H new ATOM 0 HA SER A 42 -25.493 -2.940 -1.145 1.00 0.00 H new ATOM 0 HB2 SER A 42 -25.251 -0.903 0.214 1.00 0.00 H new ATOM 0 HB3 SER A 42 -26.350 -0.502 -1.091 1.00 0.00 H new ATOM 0 HG SER A 42 -28.126 -0.846 0.327 1.00 0.00 H new ATOM 661 N LYS A 43 -27.567 -3.722 1.221 1.00 0.00 N ATOM 662 CA LYS A 43 -27.686 -4.572 2.443 1.00 0.00 C ATOM 663 C LYS A 43 -27.421 -6.034 2.075 1.00 0.00 C ATOM 664 O LYS A 43 -26.877 -6.792 2.855 1.00 0.00 O ATOM 665 CB LYS A 43 -29.132 -4.392 2.924 1.00 0.00 C ATOM 666 CG LYS A 43 -29.155 -3.505 4.171 1.00 0.00 C ATOM 667 CD LYS A 43 -28.578 -4.278 5.358 1.00 0.00 C ATOM 668 CE LYS A 43 -29.633 -5.243 5.903 1.00 0.00 C ATOM 669 NZ LYS A 43 -30.368 -4.465 6.938 1.00 0.00 N ATOM 0 H LYS A 43 -28.451 -3.379 0.846 1.00 0.00 H new ATOM 0 HA LYS A 43 -26.970 -4.293 3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -29.734 -3.942 2.135 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -29.574 -5.363 3.148 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -28.574 -2.599 3.997 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -30.176 -3.192 4.389 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -27.691 -4.830 5.049 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -28.266 -3.585 6.139 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -30.304 -5.582 5.113 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -29.171 -6.132 6.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -31.110 -5.061 7.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -29.705 -4.162 7.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -30.803 -3.628 6.499 1.00 0.00 H new ATOM 683 N LYS A 44 -27.800 -6.426 0.886 1.00 0.00 N ATOM 684 CA LYS A 44 -27.572 -7.833 0.444 1.00 0.00 C ATOM 685 C LYS A 44 -26.138 -7.992 -0.069 1.00 0.00 C ATOM 686 O LYS A 44 -25.519 -9.025 0.105 1.00 0.00 O ATOM 687 CB LYS A 44 -28.574 -8.063 -0.687 1.00 0.00 C ATOM 688 CG LYS A 44 -28.929 -9.549 -0.762 1.00 0.00 C ATOM 689 CD LYS A 44 -27.980 -10.252 -1.735 1.00 0.00 C ATOM 690 CE LYS A 44 -28.679 -11.470 -2.343 1.00 0.00 C ATOM 691 NZ LYS A 44 -27.693 -12.038 -3.304 1.00 0.00 N ATOM 0 H LYS A 44 -28.260 -5.828 0.199 1.00 0.00 H new ATOM 0 HA LYS A 44 -27.705 -8.550 1.254 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -29.474 -7.472 -0.516 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -28.150 -7.731 -1.635 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -28.854 -10.002 0.227 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -29.961 -9.671 -1.092 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -27.676 -9.564 -2.523 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -27.074 -10.562 -1.215 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -28.946 -12.196 -1.575 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -29.603 -11.185 -2.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -28.100 -12.878 -3.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -27.463 -11.326 -4.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -26.827 -12.307 -2.795 1.00 0.00 H new ATOM 705 N CYS A 45 -25.609 -6.970 -0.694 1.00 0.00 N ATOM 706 CA CYS A 45 -24.210 -7.050 -1.217 1.00 0.00 C ATOM 707 C CYS A 45 -23.231 -7.262 -0.059 1.00 0.00 C ATOM 708 O CYS A 45 -22.190 -7.870 -0.219 1.00 0.00 O ATOM 709 CB CYS A 45 -23.953 -5.704 -1.899 1.00 0.00 C ATOM 710 SG CYS A 45 -24.611 -5.746 -3.584 1.00 0.00 S ATOM 0 H CYS A 45 -26.085 -6.084 -0.865 1.00 0.00 H new ATOM 0 HA CYS A 45 -24.076 -7.882 -1.909 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -24.425 -4.901 -1.333 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -22.884 -5.493 -1.920 1.00 0.00 H new ATOM 0 HG CYS A 45 -25.475 -4.787 -3.737 1.00 0.00 H new ATOM 716 N SER A 46 -23.565 -6.768 1.107 1.00 0.00 N ATOM 717 CA SER A 46 -22.662 -6.943 2.287 1.00 0.00 C ATOM 718 C SER A 46 -22.491 -8.431 2.597 1.00 0.00 C ATOM 719 O SER A 46 -21.433 -8.872 3.002 1.00 0.00 O ATOM 720 CB SER A 46 -23.362 -6.230 3.444 1.00 0.00 C ATOM 721 OG SER A 46 -24.524 -6.963 3.812 1.00 0.00 O ATOM 0 H SER A 46 -24.424 -6.251 1.293 1.00 0.00 H new ATOM 0 HA SER A 46 -21.667 -6.535 2.108 1.00 0.00 H new ATOM 0 HB2 SER A 46 -22.687 -6.144 4.296 1.00 0.00 H new ATOM 0 HB3 SER A 46 -23.635 -5.216 3.150 1.00 0.00 H new ATOM 0 HG SER A 46 -25.316 -6.539 3.421 1.00 0.00 H new ATOM 727 N GLU A 47 -23.528 -9.206 2.401 1.00 0.00 N ATOM 728 CA GLU A 47 -23.435 -10.674 2.676 1.00 0.00 C ATOM 729 C GLU A 47 -22.413 -11.313 1.732 1.00 0.00 C ATOM 730 O GLU A 47 -21.753 -12.274 2.076 1.00 0.00 O ATOM 731 CB GLU A 47 -24.834 -11.228 2.406 1.00 0.00 C ATOM 732 CG GLU A 47 -25.729 -10.966 3.619 1.00 0.00 C ATOM 733 CD GLU A 47 -25.224 -11.780 4.812 1.00 0.00 C ATOM 734 OE1 GLU A 47 -25.322 -12.994 4.761 1.00 0.00 O ATOM 735 OE2 GLU A 47 -24.747 -11.173 5.758 1.00 0.00 O ATOM 0 H GLU A 47 -24.435 -8.886 2.062 1.00 0.00 H new ATOM 0 HA GLU A 47 -23.112 -10.884 3.696 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -25.258 -10.757 1.519 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -24.780 -12.298 2.204 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -25.727 -9.904 3.863 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.759 -11.238 3.390 1.00 0.00 H new ATOM 742 N ARG A 48 -22.281 -10.778 0.544 1.00 0.00 N ATOM 743 CA ARG A 48 -21.304 -11.339 -0.433 1.00 0.00 C ATOM 744 C ARG A 48 -19.959 -10.618 -0.301 1.00 0.00 C ATOM 745 O ARG A 48 -18.909 -11.206 -0.478 1.00 0.00 O ATOM 746 CB ARG A 48 -21.922 -11.077 -1.807 1.00 0.00 C ATOM 747 CG ARG A 48 -21.304 -12.025 -2.836 1.00 0.00 C ATOM 748 CD ARG A 48 -22.310 -12.285 -3.961 1.00 0.00 C ATOM 749 NE ARG A 48 -21.503 -12.254 -5.212 1.00 0.00 N ATOM 750 CZ ARG A 48 -21.604 -11.241 -6.028 1.00 0.00 C ATOM 751 NH1 ARG A 48 -22.655 -11.122 -6.794 1.00 0.00 N ATOM 752 NH2 ARG A 48 -20.655 -10.347 -6.079 1.00 0.00 N ATOM 0 H ARG A 48 -22.811 -9.973 0.209 1.00 0.00 H new ATOM 0 HA ARG A 48 -21.115 -12.400 -0.269 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -23.001 -11.223 -1.765 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -21.751 -10.042 -2.102 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -20.391 -11.591 -3.244 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -21.025 -12.965 -2.359 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -22.805 -13.248 -3.834 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -23.091 -11.525 -3.976 1.00 0.00 H new ATOM 0 HE ARG A 48 -20.871 -13.024 -5.431 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -23.397 -11.821 -6.754 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -22.734 -10.330 -7.432 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -19.834 -10.440 -5.481 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -20.734 -9.555 -6.717 1.00 0.00 H new ATOM 766 N TRP A 49 -19.991 -9.348 0.012 1.00 0.00 N ATOM 767 CA TRP A 49 -18.720 -8.575 0.165 1.00 0.00 C ATOM 768 C TRP A 49 -17.961 -9.056 1.406 1.00 0.00 C ATOM 769 O TRP A 49 -16.746 -9.123 1.414 1.00 0.00 O ATOM 770 CB TRP A 49 -19.155 -7.114 0.329 1.00 0.00 C ATOM 771 CG TRP A 49 -17.951 -6.234 0.455 1.00 0.00 C ATOM 772 CD1 TRP A 49 -17.610 -5.540 1.563 1.00 0.00 C ATOM 773 CD2 TRP A 49 -16.927 -5.944 -0.542 1.00 0.00 C ATOM 774 NE1 TRP A 49 -16.442 -4.843 1.314 1.00 0.00 N ATOM 775 CE2 TRP A 49 -15.982 -5.059 0.029 1.00 0.00 C ATOM 776 CE3 TRP A 49 -16.729 -6.359 -1.871 1.00 0.00 C ATOM 777 CZ2 TRP A 49 -14.880 -4.602 -0.693 1.00 0.00 C ATOM 778 CZ3 TRP A 49 -15.619 -5.901 -2.600 1.00 0.00 C ATOM 779 CH2 TRP A 49 -14.697 -5.023 -2.012 1.00 0.00 C ATOM 0 H TRP A 49 -20.844 -8.811 0.169 1.00 0.00 H new ATOM 0 HA TRP A 49 -18.052 -8.703 -0.687 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -19.753 -6.805 -0.528 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -19.786 -7.010 1.212 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -18.160 -5.531 2.492 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -15.977 -4.243 1.995 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -17.434 -7.034 -2.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -14.172 -3.927 -0.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -15.475 -6.227 -3.619 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -13.847 -4.673 -2.578 1.00 0.00 H new ATOM 790 N LYS A 50 -18.675 -9.387 2.452 1.00 0.00 N ATOM 791 CA LYS A 50 -18.006 -9.864 3.701 1.00 0.00 C ATOM 792 C LYS A 50 -17.552 -11.319 3.538 1.00 0.00 C ATOM 793 O LYS A 50 -16.598 -11.751 4.158 1.00 0.00 O ATOM 794 CB LYS A 50 -19.074 -9.754 4.792 1.00 0.00 C ATOM 795 CG LYS A 50 -19.260 -8.283 5.194 1.00 0.00 C ATOM 796 CD LYS A 50 -18.682 -8.048 6.594 1.00 0.00 C ATOM 797 CE LYS A 50 -17.159 -8.191 6.551 1.00 0.00 C ATOM 798 NZ LYS A 50 -16.667 -6.899 5.998 1.00 0.00 N ATOM 0 H LYS A 50 -19.693 -9.348 2.495 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.118 -9.280 3.941 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -20.018 -10.164 4.432 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.781 -10.343 5.661 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.764 -7.634 4.472 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -20.319 -8.024 5.180 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -18.954 -7.054 6.949 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -19.105 -8.765 7.298 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -16.752 -8.376 7.545 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -16.859 -9.029 5.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.005 -7.085 5.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -17.472 -6.344 5.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -16.180 -6.364 6.745 1.00 0.00 H new ATOM 812 N THR A 51 -18.229 -12.073 2.708 1.00 0.00 N ATOM 813 CA THR A 51 -17.842 -13.501 2.499 1.00 0.00 C ATOM 814 C THR A 51 -16.777 -13.612 1.404 1.00 0.00 C ATOM 815 O THR A 51 -15.993 -14.542 1.385 1.00 0.00 O ATOM 816 CB THR A 51 -19.130 -14.201 2.067 1.00 0.00 C ATOM 817 OG1 THR A 51 -19.677 -13.530 0.941 1.00 0.00 O ATOM 818 CG2 THR A 51 -20.137 -14.177 3.218 1.00 0.00 C ATOM 0 H THR A 51 -19.034 -11.760 2.166 1.00 0.00 H new ATOM 0 HA THR A 51 -17.416 -13.947 3.398 1.00 0.00 H new ATOM 0 HB THR A 51 -18.911 -15.235 1.802 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.362 -12.896 1.239 1.00 0.00 H new ATOM 0 HG21 THR A 51 -21.055 -14.676 2.909 1.00 0.00 H new ATOM 0 HG22 THR A 51 -19.716 -14.693 4.081 1.00 0.00 H new ATOM 0 HG23 THR A 51 -20.359 -13.144 3.486 1.00 0.00 H new ATOM 826 N MET A 52 -16.744 -12.669 0.493 1.00 0.00 N ATOM 827 CA MET A 52 -15.728 -12.717 -0.607 1.00 0.00 C ATOM 828 C MET A 52 -14.313 -12.707 -0.023 1.00 0.00 C ATOM 829 O MET A 52 -14.099 -12.292 1.100 1.00 0.00 O ATOM 830 CB MET A 52 -15.972 -11.456 -1.438 1.00 0.00 C ATOM 831 CG MET A 52 -17.048 -11.738 -2.490 1.00 0.00 C ATOM 832 SD MET A 52 -17.781 -10.176 -3.037 1.00 0.00 S ATOM 833 CE MET A 52 -16.492 -9.722 -4.222 1.00 0.00 C ATOM 0 H MET A 52 -17.376 -11.869 0.463 1.00 0.00 H new ATOM 0 HA MET A 52 -15.819 -13.622 -1.208 1.00 0.00 H new ATOM 0 HB2 MET A 52 -16.286 -10.637 -0.791 1.00 0.00 H new ATOM 0 HB3 MET A 52 -15.047 -11.143 -1.923 1.00 0.00 H new ATOM 0 HG2 MET A 52 -16.612 -12.265 -3.339 1.00 0.00 H new ATOM 0 HG3 MET A 52 -17.818 -12.387 -2.073 1.00 0.00 H new ATOM 0 HE1 MET A 52 -16.471 -8.639 -4.339 1.00 0.00 H new ATOM 0 HE2 MET A 52 -15.524 -10.066 -3.857 1.00 0.00 H new ATOM 0 HE3 MET A 52 -16.703 -10.187 -5.185 1.00 0.00 H new ATOM 843 N SER A 53 -13.347 -13.163 -0.779 1.00 0.00 N ATOM 844 CA SER A 53 -11.940 -13.186 -0.277 1.00 0.00 C ATOM 845 C SER A 53 -11.144 -12.022 -0.869 1.00 0.00 C ATOM 846 O SER A 53 -11.688 -11.158 -1.530 1.00 0.00 O ATOM 847 CB SER A 53 -11.372 -14.522 -0.754 1.00 0.00 C ATOM 848 OG SER A 53 -12.163 -15.582 -0.232 1.00 0.00 O ATOM 0 H SER A 53 -13.473 -13.522 -1.726 1.00 0.00 H new ATOM 0 HA SER A 53 -11.888 -13.084 0.807 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.366 -14.560 -1.843 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.338 -14.629 -0.426 1.00 0.00 H new ATOM 0 HG SER A 53 -11.802 -16.440 -0.538 1.00 0.00 H new ATOM 854 N ALA A 54 -9.856 -11.997 -0.637 1.00 0.00 N ATOM 855 CA ALA A 54 -9.008 -10.892 -1.182 1.00 0.00 C ATOM 856 C ALA A 54 -8.799 -11.053 -2.696 1.00 0.00 C ATOM 857 O ALA A 54 -8.322 -10.149 -3.356 1.00 0.00 O ATOM 858 CB ALA A 54 -7.673 -11.012 -0.446 1.00 0.00 C ATOM 0 H ALA A 54 -9.353 -12.697 -0.092 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.475 -9.918 -1.035 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.995 -10.232 -0.793 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.837 -10.900 0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.234 -11.990 -0.646 1.00 0.00 H new ATOM 864 N LYS A 55 -9.151 -12.189 -3.253 1.00 0.00 N ATOM 865 CA LYS A 55 -8.969 -12.394 -4.723 1.00 0.00 C ATOM 866 C LYS A 55 -10.009 -11.581 -5.494 1.00 0.00 C ATOM 867 O LYS A 55 -9.769 -11.139 -6.602 1.00 0.00 O ATOM 868 CB LYS A 55 -9.181 -13.892 -4.951 1.00 0.00 C ATOM 869 CG LYS A 55 -8.010 -14.671 -4.351 1.00 0.00 C ATOM 870 CD LYS A 55 -6.840 -14.674 -5.338 1.00 0.00 C ATOM 871 CE LYS A 55 -5.762 -15.644 -4.849 1.00 0.00 C ATOM 872 NZ LYS A 55 -4.969 -15.980 -6.065 1.00 0.00 N ATOM 0 H LYS A 55 -9.556 -12.980 -2.752 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.987 -12.070 -5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.117 -14.211 -4.492 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.261 -14.100 -6.018 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.703 -14.218 -3.408 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.315 -15.694 -4.129 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.187 -14.968 -6.329 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.426 -13.670 -5.431 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.136 -15.186 -4.083 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.205 -16.537 -4.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.208 -16.642 -5.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.590 -16.421 -6.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.554 -15.112 -6.460 1.00 0.00 H new ATOM 886 N GLU A 56 -11.161 -11.381 -4.910 1.00 0.00 N ATOM 887 CA GLU A 56 -12.229 -10.595 -5.592 1.00 0.00 C ATOM 888 C GLU A 56 -12.278 -9.176 -5.022 1.00 0.00 C ATOM 889 O GLU A 56 -12.454 -8.213 -5.744 1.00 0.00 O ATOM 890 CB GLU A 56 -13.523 -11.345 -5.280 1.00 0.00 C ATOM 891 CG GLU A 56 -13.518 -12.690 -6.007 1.00 0.00 C ATOM 892 CD GLU A 56 -14.957 -13.177 -6.194 1.00 0.00 C ATOM 893 OE1 GLU A 56 -15.678 -12.554 -6.955 1.00 0.00 O ATOM 894 OE2 GLU A 56 -15.313 -14.164 -5.571 1.00 0.00 O ATOM 0 H GLU A 56 -11.409 -11.731 -3.984 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.060 -10.501 -6.665 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.616 -11.500 -4.205 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.384 -10.753 -5.592 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.028 -12.590 -6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.947 -13.422 -5.436 1.00 0.00 H new ATOM 901 N LYS A 57 -12.120 -9.046 -3.730 1.00 0.00 N ATOM 902 CA LYS A 57 -12.151 -7.692 -3.096 1.00 0.00 C ATOM 903 C LYS A 57 -10.950 -6.861 -3.560 1.00 0.00 C ATOM 904 O LYS A 57 -10.993 -5.644 -3.564 1.00 0.00 O ATOM 905 CB LYS A 57 -12.072 -7.952 -1.590 1.00 0.00 C ATOM 906 CG LYS A 57 -13.485 -8.000 -1.005 1.00 0.00 C ATOM 907 CD LYS A 57 -13.484 -8.855 0.264 1.00 0.00 C ATOM 908 CE LYS A 57 -12.853 -8.063 1.411 1.00 0.00 C ATOM 909 NZ LYS A 57 -13.946 -7.191 1.923 1.00 0.00 N ATOM 0 H LYS A 57 -11.970 -9.821 -3.084 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.048 -7.134 -3.366 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.556 -8.893 -1.399 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.493 -7.167 -1.105 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.830 -6.992 -0.776 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.179 -8.416 -1.736 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.503 -9.142 0.523 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.927 -9.776 0.094 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.480 -8.727 2.191 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.006 -7.471 1.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.658 -6.770 2.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.138 -6.435 1.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.806 -7.758 2.062 1.00 0.00 H new ATOM 923 N SER A 58 -9.878 -7.508 -3.946 1.00 0.00 N ATOM 924 CA SER A 58 -8.668 -6.758 -4.408 1.00 0.00 C ATOM 925 C SER A 58 -8.993 -5.945 -5.664 1.00 0.00 C ATOM 926 O SER A 58 -8.559 -4.819 -5.813 1.00 0.00 O ATOM 927 CB SER A 58 -7.622 -7.829 -4.720 1.00 0.00 C ATOM 928 OG SER A 58 -8.225 -8.863 -5.488 1.00 0.00 O ATOM 0 H SER A 58 -9.788 -8.524 -3.961 1.00 0.00 H new ATOM 0 HA SER A 58 -8.314 -6.053 -3.656 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.788 -7.391 -5.269 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.215 -8.237 -3.795 1.00 0.00 H new ATOM 0 HG SER A 58 -8.110 -9.721 -5.029 1.00 0.00 H new ATOM 934 N LYS A 59 -9.752 -6.512 -6.567 1.00 0.00 N ATOM 935 CA LYS A 59 -10.109 -5.777 -7.821 1.00 0.00 C ATOM 936 C LYS A 59 -10.913 -4.518 -7.487 1.00 0.00 C ATOM 937 O LYS A 59 -10.751 -3.485 -8.110 1.00 0.00 O ATOM 938 CB LYS A 59 -10.960 -6.754 -8.635 1.00 0.00 C ATOM 939 CG LYS A 59 -11.072 -6.255 -10.077 1.00 0.00 C ATOM 940 CD LYS A 59 -12.349 -6.807 -10.712 1.00 0.00 C ATOM 941 CE LYS A 59 -12.156 -8.288 -11.044 1.00 0.00 C ATOM 942 NZ LYS A 59 -13.091 -8.554 -12.172 1.00 0.00 N ATOM 0 H LYS A 59 -10.141 -7.452 -6.491 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.225 -5.455 -8.371 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.511 -7.747 -8.616 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.952 -6.845 -8.192 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.086 -5.165 -10.096 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.202 -6.572 -10.651 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.190 -6.683 -10.030 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.588 -6.249 -11.617 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.125 -8.498 -11.328 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.385 -8.918 -10.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.017 -9.551 -12.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.066 -8.352 -11.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.845 -7.945 -12.978 1.00 0.00 H new ATOM 956 N PHE A 60 -11.778 -4.598 -6.508 1.00 0.00 N ATOM 957 CA PHE A 60 -12.599 -3.408 -6.127 1.00 0.00 C ATOM 958 C PHE A 60 -11.738 -2.395 -5.368 1.00 0.00 C ATOM 959 O PHE A 60 -11.957 -1.200 -5.446 1.00 0.00 O ATOM 960 CB PHE A 60 -13.704 -3.956 -5.223 1.00 0.00 C ATOM 961 CG PHE A 60 -14.707 -4.715 -6.059 1.00 0.00 C ATOM 962 CD1 PHE A 60 -15.612 -4.020 -6.870 1.00 0.00 C ATOM 963 CD2 PHE A 60 -14.731 -6.114 -6.023 1.00 0.00 C ATOM 964 CE1 PHE A 60 -16.541 -4.724 -7.645 1.00 0.00 C ATOM 965 CE2 PHE A 60 -15.660 -6.819 -6.798 1.00 0.00 C ATOM 966 CZ PHE A 60 -16.566 -6.124 -7.609 1.00 0.00 C ATOM 0 H PHE A 60 -11.952 -5.437 -5.955 1.00 0.00 H new ATOM 0 HA PHE A 60 -13.006 -2.893 -6.997 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -13.276 -4.612 -4.464 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -14.197 -3.139 -4.697 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -15.593 -2.941 -6.898 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -14.033 -6.650 -5.397 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -17.239 -4.188 -8.271 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.678 -7.898 -6.770 1.00 0.00 H new ATOM 0 HZ PHE A 60 -17.283 -6.667 -8.206 1.00 0.00 H new ATOM 976 N GLU A 61 -10.760 -2.866 -4.637 1.00 0.00 N ATOM 977 CA GLU A 61 -9.876 -1.938 -3.869 1.00 0.00 C ATOM 978 C GLU A 61 -8.776 -1.383 -4.778 1.00 0.00 C ATOM 979 O GLU A 61 -8.283 -0.289 -4.573 1.00 0.00 O ATOM 980 CB GLU A 61 -9.271 -2.796 -2.757 1.00 0.00 C ATOM 981 CG GLU A 61 -8.901 -1.906 -1.569 1.00 0.00 C ATOM 982 CD GLU A 61 -7.581 -1.189 -1.858 1.00 0.00 C ATOM 983 OE1 GLU A 61 -6.577 -1.869 -1.992 1.00 0.00 O ATOM 984 OE2 GLU A 61 -7.597 0.028 -1.943 1.00 0.00 O ATOM 0 H GLU A 61 -10.535 -3.856 -4.539 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.422 -1.082 -3.472 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.983 -3.560 -2.445 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.386 -3.316 -3.125 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.691 -1.177 -1.388 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.809 -2.508 -0.665 1.00 0.00 H new ATOM 991 N ASP A 62 -8.389 -2.131 -5.781 1.00 0.00 N ATOM 992 CA ASP A 62 -7.318 -1.653 -6.710 1.00 0.00 C ATOM 993 C ASP A 62 -7.846 -0.511 -7.583 1.00 0.00 C ATOM 994 O ASP A 62 -7.098 0.344 -8.018 1.00 0.00 O ATOM 995 CB ASP A 62 -6.963 -2.867 -7.573 1.00 0.00 C ATOM 996 CG ASP A 62 -5.768 -3.598 -6.960 1.00 0.00 C ATOM 997 OD1 ASP A 62 -4.785 -2.939 -6.663 1.00 0.00 O ATOM 998 OD2 ASP A 62 -5.856 -4.803 -6.796 1.00 0.00 O ATOM 0 H ASP A 62 -8.768 -3.053 -5.997 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.450 -1.269 -6.173 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.818 -3.540 -7.642 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.726 -2.548 -8.588 1.00 0.00 H new ATOM 1003 N MET A 63 -9.130 -0.495 -7.842 1.00 0.00 N ATOM 1004 CA MET A 63 -9.716 0.589 -8.687 1.00 0.00 C ATOM 1005 C MET A 63 -10.012 1.825 -7.834 1.00 0.00 C ATOM 1006 O MET A 63 -9.994 2.942 -8.318 1.00 0.00 O ATOM 1007 CB MET A 63 -11.011 0.000 -9.245 1.00 0.00 C ATOM 1008 CG MET A 63 -10.683 -0.984 -10.369 1.00 0.00 C ATOM 1009 SD MET A 63 -12.217 -1.556 -11.139 1.00 0.00 S ATOM 1010 CE MET A 63 -12.312 -0.288 -12.426 1.00 0.00 C ATOM 0 H MET A 63 -9.798 -1.187 -7.504 1.00 0.00 H new ATOM 0 HA MET A 63 -9.038 0.906 -9.479 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.563 -0.507 -8.453 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.653 0.797 -9.621 1.00 0.00 H new ATOM 0 HG2 MET A 63 -10.048 -0.504 -11.113 1.00 0.00 H new ATOM 0 HG3 MET A 63 -10.125 -1.832 -9.973 1.00 0.00 H new ATOM 0 HE1 MET A 63 -13.202 -0.452 -13.033 1.00 0.00 H new ATOM 0 HE2 MET A 63 -12.365 0.697 -11.963 1.00 0.00 H new ATOM 0 HE3 MET A 63 -11.426 -0.345 -13.059 1.00 0.00 H new ATOM 1020 N ALA A 64 -10.285 1.632 -6.568 1.00 0.00 N ATOM 1021 CA ALA A 64 -10.585 2.794 -5.675 1.00 0.00 C ATOM 1022 C ALA A 64 -9.301 3.564 -5.360 1.00 0.00 C ATOM 1023 O ALA A 64 -9.295 4.779 -5.298 1.00 0.00 O ATOM 1024 CB ALA A 64 -11.169 2.181 -4.401 1.00 0.00 C ATOM 0 H ALA A 64 -10.313 0.719 -6.113 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.274 3.500 -6.138 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.415 2.974 -3.695 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.072 1.622 -4.647 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.437 1.509 -3.952 1.00 0.00 H new ATOM 1030 N LYS A 65 -8.213 2.863 -5.160 1.00 0.00 N ATOM 1031 CA LYS A 65 -6.920 3.548 -4.847 1.00 0.00 C ATOM 1032 C LYS A 65 -6.446 4.359 -6.056 1.00 0.00 C ATOM 1033 O LYS A 65 -5.764 5.357 -5.913 1.00 0.00 O ATOM 1034 CB LYS A 65 -5.931 2.422 -4.537 1.00 0.00 C ATOM 1035 CG LYS A 65 -4.659 3.013 -3.926 1.00 0.00 C ATOM 1036 CD LYS A 65 -4.915 3.372 -2.461 1.00 0.00 C ATOM 1037 CE LYS A 65 -3.656 4.003 -1.861 1.00 0.00 C ATOM 1038 NZ LYS A 65 -3.996 4.256 -0.434 1.00 0.00 N ATOM 0 H LYS A 65 -8.164 1.845 -5.200 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.016 4.243 -4.013 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.381 1.708 -3.847 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.689 1.875 -5.448 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.841 2.296 -3.998 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.355 3.900 -4.481 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.753 4.065 -2.387 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.190 2.479 -1.900 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.799 3.336 -1.950 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.395 4.928 -2.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.181 4.689 0.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.811 4.900 -0.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.234 3.357 0.031 1.00 0.00 H new ATOM 1052 N SER A 66 -6.802 3.935 -7.242 1.00 0.00 N ATOM 1053 CA SER A 66 -6.373 4.679 -8.467 1.00 0.00 C ATOM 1054 C SER A 66 -6.985 6.083 -8.477 1.00 0.00 C ATOM 1055 O SER A 66 -6.349 7.042 -8.873 1.00 0.00 O ATOM 1056 CB SER A 66 -6.902 3.859 -9.644 1.00 0.00 C ATOM 1057 OG SER A 66 -6.479 4.456 -10.862 1.00 0.00 O ATOM 0 H SER A 66 -7.371 3.106 -7.416 1.00 0.00 H new ATOM 0 HA SER A 66 -5.291 4.802 -8.512 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.535 2.834 -9.582 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.990 3.811 -9.608 1.00 0.00 H new ATOM 0 HG SER A 66 -6.816 3.931 -11.618 1.00 0.00 H new ATOM 1063 N ASP A 67 -8.213 6.207 -8.042 1.00 0.00 N ATOM 1064 CA ASP A 67 -8.875 7.546 -8.021 1.00 0.00 C ATOM 1065 C ASP A 67 -8.659 8.224 -6.666 1.00 0.00 C ATOM 1066 O ASP A 67 -8.637 9.437 -6.568 1.00 0.00 O ATOM 1067 CB ASP A 67 -10.360 7.256 -8.247 1.00 0.00 C ATOM 1068 CG ASP A 67 -11.054 8.519 -8.761 1.00 0.00 C ATOM 1069 OD1 ASP A 67 -11.099 8.695 -9.968 1.00 0.00 O ATOM 1070 OD2 ASP A 67 -11.529 9.286 -7.941 1.00 0.00 O ATOM 0 H ASP A 67 -8.787 5.436 -7.700 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.471 8.218 -8.778 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.478 6.445 -8.966 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.823 6.927 -7.317 1.00 0.00 H new ATOM 1075 N LYS A 68 -8.502 7.450 -5.623 1.00 0.00 N ATOM 1076 CA LYS A 68 -8.287 8.045 -4.267 1.00 0.00 C ATOM 1077 C LYS A 68 -6.921 8.734 -4.200 1.00 0.00 C ATOM 1078 O LYS A 68 -6.729 9.677 -3.455 1.00 0.00 O ATOM 1079 CB LYS A 68 -8.339 6.865 -3.294 1.00 0.00 C ATOM 1080 CG LYS A 68 -8.564 7.384 -1.873 1.00 0.00 C ATOM 1081 CD LYS A 68 -8.020 6.369 -0.866 1.00 0.00 C ATOM 1082 CE LYS A 68 -8.378 6.815 0.554 1.00 0.00 C ATOM 1083 NZ LYS A 68 -7.421 6.092 1.437 1.00 0.00 N ATOM 0 H LYS A 68 -8.513 6.430 -5.651 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.037 8.800 -4.029 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.142 6.184 -3.575 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.409 6.299 -3.343 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.066 8.345 -1.742 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.627 7.550 -1.699 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.439 5.383 -1.065 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.938 6.282 -0.969 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.279 7.895 0.665 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.410 6.562 0.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.604 6.346 2.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.543 5.066 1.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.448 6.358 1.185 1.00 0.00 H new ATOM 1097 N ALA A 69 -5.974 8.270 -4.975 1.00 0.00 N ATOM 1098 CA ALA A 69 -4.614 8.894 -4.962 1.00 0.00 C ATOM 1099 C ALA A 69 -4.663 10.282 -5.606 1.00 0.00 C ATOM 1100 O ALA A 69 -3.877 11.153 -5.282 1.00 0.00 O ATOM 1101 CB ALA A 69 -3.730 7.953 -5.782 1.00 0.00 C ATOM 0 H ALA A 69 -6.083 7.485 -5.617 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.233 9.026 -3.949 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.714 8.346 -5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.721 6.966 -5.319 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.124 7.875 -6.795 1.00 0.00 H new ATOM 1107 N ARG A 70 -5.578 10.492 -6.519 1.00 0.00 N ATOM 1108 CA ARG A 70 -5.682 11.825 -7.191 1.00 0.00 C ATOM 1109 C ARG A 70 -6.008 12.913 -6.163 1.00 0.00 C ATOM 1110 O ARG A 70 -5.651 14.064 -6.335 1.00 0.00 O ATOM 1111 CB ARG A 70 -6.826 11.681 -8.197 1.00 0.00 C ATOM 1112 CG ARG A 70 -6.806 12.865 -9.166 1.00 0.00 C ATOM 1113 CD ARG A 70 -5.778 12.603 -10.270 1.00 0.00 C ATOM 1114 NE ARG A 70 -6.141 13.549 -11.363 1.00 0.00 N ATOM 1115 CZ ARG A 70 -6.085 13.159 -12.607 1.00 0.00 C ATOM 1116 NH1 ARG A 70 -7.039 12.419 -13.102 1.00 0.00 N ATOM 1117 NH2 ARG A 70 -5.074 13.508 -13.355 1.00 0.00 N ATOM 0 H ARG A 70 -6.258 9.798 -6.829 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.749 12.113 -7.676 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.725 10.745 -8.747 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.782 11.642 -7.674 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.795 13.009 -9.602 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.556 13.782 -8.632 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.763 12.780 -9.915 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.820 11.569 -10.612 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.433 14.500 -11.139 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.828 12.146 -12.517 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.995 12.114 -14.074 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.328 14.085 -12.967 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.030 13.203 -14.327 1.00 0.00 H new ATOM 1131 N TYR A 71 -6.680 12.556 -5.099 1.00 0.00 N ATOM 1132 CA TYR A 71 -7.033 13.567 -4.054 1.00 0.00 C ATOM 1133 C TYR A 71 -5.763 14.117 -3.398 1.00 0.00 C ATOM 1134 O TYR A 71 -5.725 15.248 -2.954 1.00 0.00 O ATOM 1135 CB TYR A 71 -7.881 12.812 -3.029 1.00 0.00 C ATOM 1136 CG TYR A 71 -8.698 13.797 -2.228 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -8.066 14.659 -1.324 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -10.088 13.848 -2.389 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -8.823 15.573 -0.582 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -10.846 14.761 -1.646 1.00 0.00 C ATOM 1141 CZ TYR A 71 -10.213 15.624 -0.742 1.00 0.00 C ATOM 1142 OH TYR A 71 -10.960 16.525 -0.011 1.00 0.00 O ATOM 0 H TYR A 71 -7.001 11.607 -4.907 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.569 14.418 -4.474 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -8.538 12.105 -3.535 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.239 12.232 -2.366 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.994 14.619 -1.199 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.575 13.183 -3.086 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -8.335 16.239 0.114 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.918 14.800 -1.770 1.00 0.00 H new ATOM 0 HH TYR A 71 -11.907 16.429 -0.244 1.00 0.00 H new ATOM 1152 N ASP A 72 -4.726 13.320 -3.336 1.00 0.00 N ATOM 1153 CA ASP A 72 -3.451 13.791 -2.710 1.00 0.00 C ATOM 1154 C ASP A 72 -2.831 14.910 -3.550 1.00 0.00 C ATOM 1155 O ASP A 72 -2.257 15.846 -3.025 1.00 0.00 O ATOM 1156 CB ASP A 72 -2.534 12.567 -2.688 1.00 0.00 C ATOM 1157 CG ASP A 72 -2.903 11.672 -1.503 1.00 0.00 C ATOM 1158 OD1 ASP A 72 -3.869 10.936 -1.620 1.00 0.00 O ATOM 1159 OD2 ASP A 72 -2.214 11.738 -0.499 1.00 0.00 O ATOM 0 H ASP A 72 -4.706 12.364 -3.691 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.611 14.194 -1.710 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.630 12.011 -3.621 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.493 12.881 -2.610 1.00 0.00 H new ATOM 1164 N ARG A 73 -2.943 14.818 -4.851 1.00 0.00 N ATOM 1165 CA ARG A 73 -2.364 15.872 -5.736 1.00 0.00 C ATOM 1166 C ARG A 73 -3.474 16.779 -6.274 1.00 0.00 C ATOM 1167 O ARG A 73 -3.457 17.180 -7.422 1.00 0.00 O ATOM 1168 CB ARG A 73 -1.696 15.106 -6.878 1.00 0.00 C ATOM 1169 CG ARG A 73 -0.307 14.641 -6.439 1.00 0.00 C ATOM 1170 CD ARG A 73 0.517 14.257 -7.670 1.00 0.00 C ATOM 1171 NE ARG A 73 0.927 15.554 -8.276 1.00 0.00 N ATOM 1172 CZ ARG A 73 0.716 15.777 -9.545 1.00 0.00 C ATOM 1173 NH1 ARG A 73 1.352 15.078 -10.444 1.00 0.00 N ATOM 1174 NH2 ARG A 73 -0.130 16.700 -9.914 1.00 0.00 N ATOM 0 H ARG A 73 -3.412 14.055 -5.339 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.658 16.514 -5.208 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.306 14.248 -7.160 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.616 15.743 -7.759 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.195 15.434 -5.885 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.394 13.788 -5.766 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.385 13.658 -7.394 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.071 13.662 -8.369 1.00 0.00 H new ATOM 0 HE ARG A 73 1.373 16.268 -7.700 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.014 14.358 -10.155 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.187 15.252 -11.436 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.626 17.247 -9.211 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.295 16.874 -10.905 1.00 0.00 H new ATOM 1188 N GLU A 74 -4.437 17.104 -5.448 1.00 0.00 N ATOM 1189 CA GLU A 74 -5.553 17.986 -5.901 1.00 0.00 C ATOM 1190 C GLU A 74 -5.507 19.323 -5.157 1.00 0.00 C ATOM 1191 O GLU A 74 -5.546 20.379 -5.760 1.00 0.00 O ATOM 1192 CB GLU A 74 -6.829 17.221 -5.550 1.00 0.00 C ATOM 1193 CG GLU A 74 -8.030 17.895 -6.218 1.00 0.00 C ATOM 1194 CD GLU A 74 -9.253 16.984 -6.111 1.00 0.00 C ATOM 1195 OE1 GLU A 74 -9.773 16.848 -5.016 1.00 0.00 O ATOM 1196 OE2 GLU A 74 -9.649 16.434 -7.127 1.00 0.00 O ATOM 0 H GLU A 74 -4.497 16.795 -4.478 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.493 18.214 -6.965 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.748 16.186 -5.883 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.966 17.199 -4.469 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.235 18.853 -5.740 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.808 18.102 -7.265 1.00 0.00 H new ATOM 1203 N MET A 75 -5.423 19.282 -3.850 1.00 0.00 N ATOM 1204 CA MET A 75 -5.373 20.545 -3.057 1.00 0.00 C ATOM 1205 C MET A 75 -3.926 21.029 -2.925 1.00 0.00 C ATOM 1206 O MET A 75 -3.601 22.147 -3.276 1.00 0.00 O ATOM 1207 CB MET A 75 -5.942 20.176 -1.687 1.00 0.00 C ATOM 1208 CG MET A 75 -7.469 20.157 -1.757 1.00 0.00 C ATOM 1209 SD MET A 75 -8.145 19.873 -0.101 1.00 0.00 S ATOM 1210 CE MET A 75 -9.856 20.331 -0.473 1.00 0.00 C ATOM 0 H MET A 75 -5.387 18.425 -3.298 1.00 0.00 H new ATOM 0 HA MET A 75 -5.936 21.351 -3.528 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.569 19.199 -1.378 1.00 0.00 H new ATOM 0 HB3 MET A 75 -5.611 20.895 -0.938 1.00 0.00 H new ATOM 0 HG2 MET A 75 -7.837 21.103 -2.155 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.803 19.373 -2.437 1.00 0.00 H new ATOM 0 HE1 MET A 75 -10.258 20.930 0.344 1.00 0.00 H new ATOM 0 HE2 MET A 75 -9.885 20.910 -1.396 1.00 0.00 H new ATOM 0 HE3 MET A 75 -10.457 19.429 -0.591 1.00 0.00 H new ATOM 1220 N LYS A 76 -3.052 20.190 -2.419 1.00 0.00 N ATOM 1221 CA LYS A 76 -1.613 20.581 -2.255 1.00 0.00 C ATOM 1222 C LYS A 76 -1.492 21.904 -1.488 1.00 0.00 C ATOM 1223 O LYS A 76 -2.459 22.409 -0.950 1.00 0.00 O ATOM 1224 CB LYS A 76 -1.068 20.734 -3.678 1.00 0.00 C ATOM 1225 CG LYS A 76 -0.767 19.351 -4.260 1.00 0.00 C ATOM 1226 CD LYS A 76 0.320 19.472 -5.330 1.00 0.00 C ATOM 1227 CE LYS A 76 -0.271 20.115 -6.587 1.00 0.00 C ATOM 1228 NZ LYS A 76 0.890 20.312 -7.499 1.00 0.00 N ATOM 0 H LYS A 76 -3.275 19.244 -2.110 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.057 19.837 -1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.794 21.253 -4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.163 21.341 -3.669 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.440 18.676 -3.469 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.671 18.922 -4.692 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.148 20.074 -4.956 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.723 18.487 -5.567 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.026 19.473 -7.041 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.756 21.063 -6.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.565 20.750 -8.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.589 20.932 -7.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.328 19.392 -7.708 1.00 0.00 H new ATOM 1242 N ASN A 77 -0.310 22.464 -1.438 1.00 0.00 N ATOM 1243 CA ASN A 77 -0.116 23.754 -0.710 1.00 0.00 C ATOM 1244 C ASN A 77 -0.028 24.915 -1.704 1.00 0.00 C ATOM 1245 O ASN A 77 -0.560 25.970 -1.401 1.00 0.00 O ATOM 1246 CB ASN A 77 1.206 23.589 0.041 1.00 0.00 C ATOM 1247 CG ASN A 77 1.321 24.672 1.115 1.00 0.00 C ATOM 1248 OD1 ASN A 77 0.530 24.718 2.036 1.00 0.00 O ATOM 1249 ND2 ASN A 77 2.281 25.553 1.037 1.00 0.00 N ATOM 1250 OXT ASN A 77 0.569 24.728 -2.751 1.00 0.00 O ATOM 0 H ASN A 77 0.531 22.082 -1.871 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.943 23.976 -0.036 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.256 22.601 0.499 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.043 23.661 -0.654 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.366 26.279 1.749 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.946 25.516 0.264 1.00 0.00 H new TER 1257 ASN A 77