USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 729 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 ASN : amide:sc= -1.95! K(o=-5.6!,f=-3.7) USER MOD Set 1.2: A 87 GLN : amide:sc= -3.38! C(o=-5.6!,f=-6.1!) USER MOD Set 1.3: A 89 GLN : amide:sc= -0.273 K(o=-5.6,f=-18!) USER MOD Set 2.1: A 80 MET CE :methyl -108:sc= -2.62! (180deg=-2.28!) USER MOD Set 2.2: A 84 GLN : amide:sc= -2.67! K(o=-5.3!,f=-2.3) USER MOD Set 3.1: A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 86 ASN : amide:sc= -0.445 K(o=-0.45,f=-2.3!) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.111 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HE2:sc= 0.736 K(o=0.74,f=-4.1!) USER MOD Single : A 10 SER OG : rot 38:sc= 0.777 USER MOD Single : A 14 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.49) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 22 LYS NZ :NH3+ 163:sc= 0.0377 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -1.12! C(o=-1.1!,f=-1.8!) USER MOD Single : A 26 GLN : amide:sc= 0.0121 X(o=0.012,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -29:sc= 0.193 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0247 USER MOD Single : A 44 MET CE :methyl 174:sc= -0.536 (180deg=-0.666) USER MOD Single : A 46 LYS NZ :NH3+ -117:sc= -3.45! (180deg=-5.91!) USER MOD Single : A 48 SER OG : rot -139:sc= 1.76 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -156:sc= 0.718 USER MOD Single : A 55 GLN : amide:sc= -0.418 X(o=-0.42,f=-0.31) USER MOD Single : A 57 LYS NZ :NH3+ -99:sc= -0.348 (180deg=-1.11) USER MOD Single : A 58 TYR OH : rot 165:sc= -0.135 USER MOD Single : A 63 ASN : amide:sc= -2.61! C(o=-2.6!,f=-2.2!) USER MOD Single : A 67 SER OG : rot 180:sc=-0.00242 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -1.59 X(o=-1.6,f=-1.5) USER MOD Single : A 74 TYR OH : rot -130:sc= -1.69 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl 149:sc= -0.27 (180deg=-0.376) USER MOD Single : A 91 GLN : amide:sc= -0.132 K(o=-0.13,f=-0.67) USER MOD Single : A 93 HIS : no HD1:sc= -0.0496 X(o=-0.05,f=-0.064) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.119 -33.738 -13.192 1.00 0.00 N ATOM 2 CA GLY A 1 5.909 -32.993 -11.963 1.00 0.00 C ATOM 3 C GLY A 1 4.680 -33.508 -11.212 1.00 0.00 C ATOM 4 O GLY A 1 4.053 -34.478 -11.633 1.00 0.00 O ATOM 0 H1 GLY A 1 7.014 -34.265 -13.130 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.334 -34.405 -13.332 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.160 -33.078 -13.995 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.790 -33.078 -11.327 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.782 -31.935 -12.192 1.00 0.00 H new ATOM 8 N SER A 2 4.372 -32.835 -10.113 1.00 0.00 N ATOM 9 CA SER A 2 3.229 -33.212 -9.299 1.00 0.00 C ATOM 10 C SER A 2 3.026 -32.192 -8.177 1.00 0.00 C ATOM 11 O SER A 2 3.748 -32.207 -7.182 1.00 0.00 O ATOM 12 CB SER A 2 3.408 -34.615 -8.716 1.00 0.00 C ATOM 13 OG SER A 2 2.234 -35.409 -8.866 1.00 0.00 O ATOM 0 H SER A 2 4.895 -32.030 -9.767 1.00 0.00 H new ATOM 0 HA SER A 2 2.344 -33.222 -9.935 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.245 -35.109 -9.210 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.661 -34.539 -7.659 1.00 0.00 H new ATOM 0 HG SER A 2 2.389 -36.298 -8.483 1.00 0.00 H new ATOM 19 N SER A 3 2.039 -31.331 -8.375 1.00 0.00 N ATOM 20 CA SER A 3 1.731 -30.306 -7.392 1.00 0.00 C ATOM 21 C SER A 3 0.281 -29.845 -7.553 1.00 0.00 C ATOM 22 O SER A 3 -0.168 -29.576 -8.666 1.00 0.00 O ATOM 23 CB SER A 3 2.684 -29.116 -7.521 1.00 0.00 C ATOM 24 OG SER A 3 2.767 -28.365 -6.313 1.00 0.00 O ATOM 0 H SER A 3 1.442 -31.322 -9.202 1.00 0.00 H new ATOM 0 HA SER A 3 1.861 -30.735 -6.398 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.677 -29.474 -7.794 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.346 -28.467 -8.329 1.00 0.00 H new ATOM 0 HG SER A 3 3.386 -27.615 -6.436 1.00 0.00 H new ATOM 30 N GLY A 4 -0.410 -29.768 -6.425 1.00 0.00 N ATOM 31 CA GLY A 4 -1.800 -29.345 -6.427 1.00 0.00 C ATOM 32 C GLY A 4 -1.956 -27.972 -5.770 1.00 0.00 C ATOM 33 O GLY A 4 -0.967 -27.345 -5.392 1.00 0.00 O ATOM 0 H GLY A 4 -0.033 -29.991 -5.504 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.171 -29.306 -7.451 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.408 -30.078 -5.896 1.00 0.00 H new ATOM 37 N SER A 5 -3.204 -27.545 -5.654 1.00 0.00 N ATOM 38 CA SER A 5 -3.502 -26.258 -5.049 1.00 0.00 C ATOM 39 C SER A 5 -4.031 -26.458 -3.627 1.00 0.00 C ATOM 40 O SER A 5 -4.587 -27.508 -3.310 1.00 0.00 O ATOM 41 CB SER A 5 -4.515 -25.476 -5.887 1.00 0.00 C ATOM 42 OG SER A 5 -5.827 -26.024 -5.788 1.00 0.00 O ATOM 0 H SER A 5 -4.021 -28.068 -5.969 1.00 0.00 H new ATOM 0 HA SER A 5 -2.580 -25.678 -5.009 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.531 -24.436 -5.559 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.200 -25.477 -6.930 1.00 0.00 H new ATOM 0 HG SER A 5 -6.444 -25.496 -6.336 1.00 0.00 H new ATOM 48 N SER A 6 -3.839 -25.433 -2.809 1.00 0.00 N ATOM 49 CA SER A 6 -4.290 -25.483 -1.429 1.00 0.00 C ATOM 50 C SER A 6 -5.626 -24.750 -1.287 1.00 0.00 C ATOM 51 O SER A 6 -6.620 -25.339 -0.866 1.00 0.00 O ATOM 52 CB SER A 6 -3.249 -24.876 -0.486 1.00 0.00 C ATOM 53 OG SER A 6 -2.113 -25.722 -0.329 1.00 0.00 O ATOM 0 H SER A 6 -3.377 -24.563 -3.076 1.00 0.00 H new ATOM 0 HA SER A 6 -4.425 -26.529 -1.152 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.930 -23.908 -0.873 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.704 -24.695 0.488 1.00 0.00 H new ATOM 0 HG SER A 6 -1.471 -25.299 0.279 1.00 0.00 H new ATOM 59 N GLY A 7 -5.605 -23.475 -1.648 1.00 0.00 N ATOM 60 CA GLY A 7 -6.802 -22.655 -1.567 1.00 0.00 C ATOM 61 C GLY A 7 -6.819 -21.837 -0.275 1.00 0.00 C ATOM 62 O GLY A 7 -6.086 -22.138 0.665 1.00 0.00 O ATOM 0 H GLY A 7 -4.778 -22.990 -1.997 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.848 -21.986 -2.426 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.686 -23.291 -1.611 1.00 0.00 H new ATOM 66 N PRO A 8 -7.687 -20.789 -0.269 1.00 0.00 N ATOM 67 CA PRO A 8 -7.810 -19.925 0.892 1.00 0.00 C ATOM 68 C PRO A 8 -8.586 -20.619 2.013 1.00 0.00 C ATOM 69 O PRO A 8 -9.769 -20.921 1.859 1.00 0.00 O ATOM 70 CB PRO A 8 -8.500 -18.672 0.379 1.00 0.00 C ATOM 71 CG PRO A 8 -9.154 -19.065 -0.936 1.00 0.00 C ATOM 72 CD PRO A 8 -8.572 -20.402 -1.364 1.00 0.00 C ATOM 0 HA PRO A 8 -6.846 -19.679 1.337 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.242 -18.315 1.093 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.784 -17.864 0.233 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -10.235 -19.139 -0.818 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.968 -18.307 -1.697 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.356 -21.143 -1.520 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.025 -20.313 -2.303 1.00 0.00 H new ATOM 80 N HIS A 9 -7.889 -20.853 3.115 1.00 0.00 N ATOM 81 CA HIS A 9 -8.498 -21.506 4.261 1.00 0.00 C ATOM 82 C HIS A 9 -8.051 -20.808 5.547 1.00 0.00 C ATOM 83 O HIS A 9 -6.951 -21.051 6.040 1.00 0.00 O ATOM 84 CB HIS A 9 -8.188 -23.004 4.261 1.00 0.00 C ATOM 85 CG HIS A 9 -6.713 -23.326 4.239 1.00 0.00 C ATOM 86 ND1 HIS A 9 -5.963 -23.325 3.075 1.00 0.00 N ATOM 87 CD2 HIS A 9 -5.857 -23.657 5.248 1.00 0.00 C ATOM 88 CE1 HIS A 9 -4.714 -23.644 3.382 1.00 0.00 C ATOM 89 NE2 HIS A 9 -4.651 -23.850 4.729 1.00 0.00 N ATOM 0 H HIS A 9 -6.908 -20.602 3.239 1.00 0.00 H new ATOM 0 HA HIS A 9 -9.583 -21.419 4.200 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -8.635 -23.457 5.146 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -8.663 -23.463 3.394 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -6.313 -23.114 2.140 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -6.117 -23.747 6.292 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -3.891 -23.726 2.688 1.00 0.00 H new ATOM 97 N SER A 10 -8.928 -19.954 6.055 1.00 0.00 N ATOM 98 CA SER A 10 -8.637 -19.219 7.274 1.00 0.00 C ATOM 99 C SER A 10 -7.238 -18.606 7.194 1.00 0.00 C ATOM 100 O SER A 10 -6.248 -19.268 7.500 1.00 0.00 O ATOM 101 CB SER A 10 -8.752 -20.123 8.503 1.00 0.00 C ATOM 102 OG SER A 10 -8.017 -21.334 8.345 1.00 0.00 O ATOM 0 H SER A 10 -9.840 -19.755 5.644 1.00 0.00 H new ATOM 0 HA SER A 10 -9.371 -18.420 7.375 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.388 -19.590 9.381 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.801 -20.357 8.685 1.00 0.00 H new ATOM 0 HG SER A 10 -7.183 -21.150 7.864 1.00 0.00 H new ATOM 108 N MET A 11 -7.201 -17.347 6.782 1.00 0.00 N ATOM 109 CA MET A 11 -5.939 -16.637 6.659 1.00 0.00 C ATOM 110 C MET A 11 -5.797 -15.576 7.752 1.00 0.00 C ATOM 111 O MET A 11 -6.739 -15.323 8.502 1.00 0.00 O ATOM 112 CB MET A 11 -5.861 -15.969 5.285 1.00 0.00 C ATOM 113 CG MET A 11 -5.027 -16.807 4.314 1.00 0.00 C ATOM 114 SD MET A 11 -5.668 -16.639 2.657 1.00 0.00 S ATOM 115 CE MET A 11 -4.191 -16.983 1.716 1.00 0.00 C ATOM 0 H MET A 11 -8.024 -16.801 6.529 1.00 0.00 H new ATOM 0 HA MET A 11 -5.127 -17.356 6.770 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.866 -15.835 4.885 1.00 0.00 H new ATOM 0 HB3 MET A 11 -5.422 -14.976 5.384 1.00 0.00 H new ATOM 0 HG2 MET A 11 -3.986 -16.485 4.344 1.00 0.00 H new ATOM 0 HG3 MET A 11 -5.046 -17.854 4.616 1.00 0.00 H new ATOM 0 HE1 MET A 11 -4.415 -16.920 0.651 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.421 -16.254 1.969 1.00 0.00 H new ATOM 0 HE3 MET A 11 -3.834 -17.985 1.953 1.00 0.00 H new ATOM 125 N GLU A 12 -4.614 -14.983 7.807 1.00 0.00 N ATOM 126 CA GLU A 12 -4.337 -13.955 8.796 1.00 0.00 C ATOM 127 C GLU A 12 -4.381 -12.569 8.147 1.00 0.00 C ATOM 128 O GLU A 12 -4.292 -12.448 6.927 1.00 0.00 O ATOM 129 CB GLU A 12 -2.990 -14.198 9.478 1.00 0.00 C ATOM 130 CG GLU A 12 -3.183 -14.744 10.894 1.00 0.00 C ATOM 131 CD GLU A 12 -3.352 -16.265 10.877 1.00 0.00 C ATOM 132 OE1 GLU A 12 -2.310 -16.951 10.799 1.00 0.00 O ATOM 133 OE2 GLU A 12 -4.519 -16.707 10.943 1.00 0.00 O ATOM 0 H GLU A 12 -3.836 -15.195 7.183 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.109 -14.000 9.564 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.402 -14.903 8.890 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.425 -13.267 9.517 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.325 -14.477 11.511 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.059 -14.282 11.349 1.00 0.00 H new ATOM 140 N PRO A 13 -4.522 -11.532 9.016 1.00 0.00 N ATOM 141 CA PRO A 13 -4.579 -10.161 8.541 1.00 0.00 C ATOM 142 C PRO A 13 -3.192 -9.667 8.123 1.00 0.00 C ATOM 143 O PRO A 13 -3.042 -9.040 7.076 1.00 0.00 O ATOM 144 CB PRO A 13 -5.168 -9.368 9.696 1.00 0.00 C ATOM 145 CG PRO A 13 -4.987 -10.235 10.931 1.00 0.00 C ATOM 146 CD PRO A 13 -4.631 -11.638 10.468 1.00 0.00 C ATOM 0 HA PRO A 13 -5.192 -10.052 7.646 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.659 -8.411 9.812 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.222 -9.150 9.523 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.200 -9.832 11.568 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.901 -10.249 11.524 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.695 -11.976 10.912 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.398 -12.357 10.756 1.00 0.00 H new ATOM 154 N GLN A 14 -2.214 -9.969 8.964 1.00 0.00 N ATOM 155 CA GLN A 14 -0.845 -9.564 8.695 1.00 0.00 C ATOM 156 C GLN A 14 -0.542 -9.676 7.199 1.00 0.00 C ATOM 157 O GLN A 14 -0.301 -10.770 6.691 1.00 0.00 O ATOM 158 CB GLN A 14 0.144 -10.393 9.518 1.00 0.00 C ATOM 159 CG GLN A 14 0.025 -10.067 11.008 1.00 0.00 C ATOM 160 CD GLN A 14 0.913 -10.992 11.843 1.00 0.00 C ATOM 161 OE1 GLN A 14 0.985 -12.190 11.625 1.00 0.00 O ATOM 162 NE2 GLN A 14 1.582 -10.371 12.810 1.00 0.00 N ATOM 0 H GLN A 14 -2.342 -10.489 9.832 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.730 -8.522 8.992 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.044 -11.455 9.358 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.161 -10.195 9.179 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.310 -9.029 11.181 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.013 -10.169 11.325 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.476 -9.365 12.938 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.201 -10.901 13.423 1.00 0.00 H new ATOM 171 N VAL A 15 -0.564 -8.529 6.536 1.00 0.00 N ATOM 172 CA VAL A 15 -0.295 -8.484 5.109 1.00 0.00 C ATOM 173 C VAL A 15 1.112 -7.930 4.877 1.00 0.00 C ATOM 174 O VAL A 15 1.584 -7.085 5.636 1.00 0.00 O ATOM 175 CB VAL A 15 -1.381 -7.675 4.397 1.00 0.00 C ATOM 176 CG1 VAL A 15 -0.876 -7.143 3.054 1.00 0.00 C ATOM 177 CG2 VAL A 15 -2.653 -8.504 4.216 1.00 0.00 C ATOM 0 H VAL A 15 -0.764 -7.624 6.961 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.324 -9.487 4.683 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.627 -6.819 5.025 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.667 -6.572 2.568 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.012 -6.499 3.219 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.588 -7.979 2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.408 -7.905 3.707 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.429 -9.388 3.619 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.030 -8.810 5.192 1.00 0.00 H new ATOM 187 N THR A 16 1.744 -8.430 3.825 1.00 0.00 N ATOM 188 CA THR A 16 3.088 -7.995 3.483 1.00 0.00 C ATOM 189 C THR A 16 3.041 -6.924 2.392 1.00 0.00 C ATOM 190 O THR A 16 2.765 -7.227 1.231 1.00 0.00 O ATOM 191 CB THR A 16 3.897 -9.232 3.087 1.00 0.00 C ATOM 192 OG1 THR A 16 3.762 -10.107 4.203 1.00 0.00 O ATOM 193 CG2 THR A 16 5.399 -8.949 3.014 1.00 0.00 C ATOM 0 H THR A 16 1.350 -9.132 3.198 1.00 0.00 H new ATOM 0 HA THR A 16 3.581 -7.524 4.334 1.00 0.00 H new ATOM 0 HB THR A 16 3.549 -9.600 2.122 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.255 -10.936 4.030 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.927 -9.859 2.729 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.587 -8.173 2.272 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.754 -8.613 3.988 1.00 0.00 H new ATOM 201 N LEU A 17 3.315 -5.695 2.802 1.00 0.00 N ATOM 202 CA LEU A 17 3.307 -4.577 1.873 1.00 0.00 C ATOM 203 C LEU A 17 4.714 -4.384 1.303 1.00 0.00 C ATOM 204 O LEU A 17 5.575 -3.792 1.953 1.00 0.00 O ATOM 205 CB LEU A 17 2.739 -3.326 2.546 1.00 0.00 C ATOM 206 CG LEU A 17 1.280 -3.412 2.999 1.00 0.00 C ATOM 207 CD1 LEU A 17 0.873 -2.159 3.777 1.00 0.00 C ATOM 208 CD2 LEU A 17 0.352 -3.676 1.812 1.00 0.00 C ATOM 0 H LEU A 17 3.544 -5.448 3.765 1.00 0.00 H new ATOM 0 HA LEU A 17 2.647 -4.785 1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.355 -3.093 3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.835 -2.490 1.854 1.00 0.00 H new ATOM 0 HG LEU A 17 1.183 -4.259 3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.168 -2.246 4.087 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.507 -2.056 4.658 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.990 -1.282 3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.679 -3.733 2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.446 -2.865 1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.627 -4.618 1.338 1.00 0.00 H new ATOM 220 N ASN A 18 4.903 -4.894 0.095 1.00 0.00 N ATOM 221 CA ASN A 18 6.191 -4.785 -0.570 1.00 0.00 C ATOM 222 C ASN A 18 6.251 -3.465 -1.342 1.00 0.00 C ATOM 223 O ASN A 18 5.737 -3.370 -2.456 1.00 0.00 O ATOM 224 CB ASN A 18 6.394 -5.926 -1.568 1.00 0.00 C ATOM 225 CG ASN A 18 6.081 -7.279 -0.924 1.00 0.00 C ATOM 226 OD1 ASN A 18 6.785 -7.758 -0.051 1.00 0.00 O ATOM 227 ND2 ASN A 18 4.988 -7.866 -1.404 1.00 0.00 N ATOM 0 H ASN A 18 4.186 -5.384 -0.441 1.00 0.00 H new ATOM 0 HA ASN A 18 6.969 -4.830 0.192 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.751 -5.774 -2.435 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.423 -5.920 -1.929 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.694 -8.773 -1.040 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.443 -7.409 -2.136 1.00 0.00 H new ATOM 234 N VAL A 19 6.883 -2.481 -0.720 1.00 0.00 N ATOM 235 CA VAL A 19 7.017 -1.171 -1.335 1.00 0.00 C ATOM 236 C VAL A 19 8.326 -1.115 -2.125 1.00 0.00 C ATOM 237 O VAL A 19 9.368 -1.552 -1.639 1.00 0.00 O ATOM 238 CB VAL A 19 6.914 -0.079 -0.269 1.00 0.00 C ATOM 239 CG1 VAL A 19 7.127 1.307 -0.881 1.00 0.00 C ATOM 240 CG2 VAL A 19 5.575 -0.154 0.467 1.00 0.00 C ATOM 0 H VAL A 19 7.308 -2.564 0.203 1.00 0.00 H new ATOM 0 HA VAL A 19 6.204 -0.995 -2.040 1.00 0.00 H new ATOM 0 HB VAL A 19 7.706 -0.248 0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.049 2.065 -0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.116 1.356 -1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.368 1.489 -1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.529 0.634 1.219 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.760 -0.024 -0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.481 -1.125 0.953 1.00 0.00 H new ATOM 250 N THR A 20 8.230 -0.573 -3.330 1.00 0.00 N ATOM 251 CA THR A 20 9.394 -0.454 -4.192 1.00 0.00 C ATOM 252 C THR A 20 9.609 1.005 -4.599 1.00 0.00 C ATOM 253 O THR A 20 8.922 1.515 -5.483 1.00 0.00 O ATOM 254 CB THR A 20 9.198 -1.394 -5.383 1.00 0.00 C ATOM 255 OG1 THR A 20 9.540 -2.679 -4.871 1.00 0.00 O ATOM 256 CG2 THR A 20 10.221 -1.151 -6.495 1.00 0.00 C ATOM 0 H THR A 20 7.364 -0.211 -3.730 1.00 0.00 H new ATOM 0 HA THR A 20 10.304 -0.751 -3.671 1.00 0.00 H new ATOM 0 HB THR A 20 8.191 -1.269 -5.782 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.439 -3.350 -5.578 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.037 -1.844 -7.316 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.129 -0.127 -6.857 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.227 -1.309 -6.105 1.00 0.00 H new ATOM 264 N PHE A 21 10.566 1.636 -3.934 1.00 0.00 N ATOM 265 CA PHE A 21 10.880 3.027 -4.215 1.00 0.00 C ATOM 266 C PHE A 21 12.084 3.138 -5.152 1.00 0.00 C ATOM 267 O PHE A 21 13.211 2.839 -4.759 1.00 0.00 O ATOM 268 CB PHE A 21 11.227 3.686 -2.878 1.00 0.00 C ATOM 269 CG PHE A 21 11.560 5.175 -2.987 1.00 0.00 C ATOM 270 CD1 PHE A 21 10.919 5.951 -3.903 1.00 0.00 C ATOM 271 CD2 PHE A 21 12.496 5.724 -2.168 1.00 0.00 C ATOM 272 CE1 PHE A 21 11.228 7.333 -4.004 1.00 0.00 C ATOM 273 CE2 PHE A 21 12.805 7.107 -2.269 1.00 0.00 C ATOM 274 CZ PHE A 21 12.165 7.882 -3.185 1.00 0.00 C ATOM 0 H PHE A 21 11.134 1.210 -3.202 1.00 0.00 H new ATOM 0 HA PHE A 21 10.031 3.510 -4.699 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.387 3.561 -2.194 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.077 3.165 -2.438 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.175 5.515 -4.553 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.005 5.109 -1.441 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.719 7.948 -4.731 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.548 7.543 -1.618 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.401 8.933 -3.262 1.00 0.00 H new ATOM 284 N LYS A 22 11.805 3.568 -6.374 1.00 0.00 N ATOM 285 CA LYS A 22 12.852 3.722 -7.370 1.00 0.00 C ATOM 286 C LYS A 22 13.470 2.356 -7.670 1.00 0.00 C ATOM 287 O LYS A 22 12.965 1.612 -8.510 1.00 0.00 O ATOM 288 CB LYS A 22 13.869 4.773 -6.921 1.00 0.00 C ATOM 289 CG LYS A 22 13.452 6.172 -7.379 1.00 0.00 C ATOM 290 CD LYS A 22 14.491 7.216 -6.967 1.00 0.00 C ATOM 291 CE LYS A 22 14.285 7.651 -5.514 1.00 0.00 C ATOM 292 NZ LYS A 22 14.303 9.127 -5.407 1.00 0.00 N ATOM 0 H LYS A 22 10.869 3.814 -6.697 1.00 0.00 H new ATOM 0 HA LYS A 22 12.435 4.095 -8.306 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.961 4.755 -5.835 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.851 4.531 -7.328 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.330 6.183 -8.462 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.484 6.427 -6.947 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.493 6.805 -7.089 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.421 8.083 -7.624 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.335 7.265 -5.144 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.068 7.225 -4.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.885 9.414 -4.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.285 9.467 -5.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.752 9.538 -6.187 1.00 0.00 H new ATOM 306 N ASN A 23 14.555 2.066 -6.966 1.00 0.00 N ATOM 307 CA ASN A 23 15.248 0.801 -7.146 1.00 0.00 C ATOM 308 C ASN A 23 15.337 0.078 -5.800 1.00 0.00 C ATOM 309 O ASN A 23 15.935 -0.993 -5.706 1.00 0.00 O ATOM 310 CB ASN A 23 16.672 1.022 -7.659 1.00 0.00 C ATOM 311 CG ASN A 23 17.449 -0.295 -7.702 1.00 0.00 C ATOM 312 OD1 ASN A 23 18.190 -0.639 -6.796 1.00 0.00 O ATOM 313 ND2 ASN A 23 17.240 -1.011 -8.804 1.00 0.00 N ATOM 0 H ASN A 23 14.971 2.685 -6.270 1.00 0.00 H new ATOM 0 HA ASN A 23 14.690 0.211 -7.873 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.639 1.462 -8.656 1.00 0.00 H new ATOM 0 HB3 ASN A 23 17.189 1.733 -7.014 1.00 0.00 H new ATOM 0 HD21 ASN A 23 17.713 -1.906 -8.928 1.00 0.00 H new ATOM 0 HD22 ASN A 23 16.606 -0.665 -9.525 1.00 0.00 H new ATOM 320 N GLU A 24 14.733 0.691 -4.793 1.00 0.00 N ATOM 321 CA GLU A 24 14.737 0.119 -3.458 1.00 0.00 C ATOM 322 C GLU A 24 13.451 -0.673 -3.216 1.00 0.00 C ATOM 323 O GLU A 24 12.389 -0.307 -3.717 1.00 0.00 O ATOM 324 CB GLU A 24 14.920 1.206 -2.396 1.00 0.00 C ATOM 325 CG GLU A 24 14.416 0.730 -1.032 1.00 0.00 C ATOM 326 CD GLU A 24 15.211 1.379 0.103 1.00 0.00 C ATOM 327 OE1 GLU A 24 15.651 2.531 -0.100 1.00 0.00 O ATOM 328 OE2 GLU A 24 15.360 0.709 1.147 1.00 0.00 O ATOM 0 H GLU A 24 14.237 1.579 -4.875 1.00 0.00 H new ATOM 0 HA GLU A 24 15.582 -0.565 -3.380 1.00 0.00 H new ATOM 0 HB2 GLU A 24 15.974 1.476 -2.324 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.380 2.105 -2.694 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.359 0.973 -0.926 1.00 0.00 H new ATOM 0 HG3 GLU A 24 14.502 -0.355 -0.967 1.00 0.00 H new ATOM 335 N ILE A 25 13.589 -1.744 -2.448 1.00 0.00 N ATOM 336 CA ILE A 25 12.451 -2.591 -2.134 1.00 0.00 C ATOM 337 C ILE A 25 12.357 -2.770 -0.617 1.00 0.00 C ATOM 338 O ILE A 25 13.349 -3.088 0.036 1.00 0.00 O ATOM 339 CB ILE A 25 12.535 -3.910 -2.905 1.00 0.00 C ATOM 340 CG1 ILE A 25 12.491 -3.666 -4.415 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.446 -4.882 -2.448 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.368 -4.675 -5.159 1.00 0.00 C ATOM 0 H ILE A 25 14.472 -2.044 -2.034 1.00 0.00 H new ATOM 0 HA ILE A 25 11.524 -2.118 -2.458 1.00 0.00 H new ATOM 0 HB ILE A 25 13.495 -4.376 -2.683 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.463 -3.741 -4.769 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.830 -2.653 -4.633 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.528 -5.811 -3.012 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.567 -5.090 -1.385 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.466 -4.438 -2.621 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.319 -4.479 -6.230 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.400 -4.580 -4.820 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.011 -5.685 -4.958 1.00 0.00 H new ATOM 354 N GLN A 26 11.155 -2.557 -0.101 1.00 0.00 N ATOM 355 CA GLN A 26 10.919 -2.691 1.326 1.00 0.00 C ATOM 356 C GLN A 26 9.660 -3.522 1.580 1.00 0.00 C ATOM 357 O GLN A 26 8.905 -3.811 0.653 1.00 0.00 O ATOM 358 CB GLN A 26 10.815 -1.320 1.996 1.00 0.00 C ATOM 359 CG GLN A 26 12.115 -0.963 2.720 1.00 0.00 C ATOM 360 CD GLN A 26 11.827 -0.289 4.063 1.00 0.00 C ATOM 361 OE1 GLN A 26 11.774 -0.921 5.105 1.00 0.00 O ATOM 362 NE2 GLN A 26 11.646 1.026 3.980 1.00 0.00 N ATOM 0 H GLN A 26 10.334 -2.293 -0.646 1.00 0.00 H new ATOM 0 HA GLN A 26 11.769 -3.211 1.768 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.592 -0.561 1.246 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.988 -1.320 2.706 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.705 -1.865 2.881 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.712 -0.298 2.096 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.704 1.493 3.075 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.449 1.568 4.821 1.00 0.00 H new ATOM 371 N SER A 27 9.472 -3.883 2.841 1.00 0.00 N ATOM 372 CA SER A 27 8.318 -4.675 3.229 1.00 0.00 C ATOM 373 C SER A 27 7.774 -4.186 4.573 1.00 0.00 C ATOM 374 O SER A 27 8.540 -3.946 5.506 1.00 0.00 O ATOM 375 CB SER A 27 8.671 -6.162 3.309 1.00 0.00 C ATOM 376 OG SER A 27 8.005 -6.811 4.388 1.00 0.00 O ATOM 0 H SER A 27 10.100 -3.641 3.607 1.00 0.00 H new ATOM 0 HA SER A 27 7.549 -4.552 2.467 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.403 -6.649 2.372 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.749 -6.273 3.429 1.00 0.00 H new ATOM 0 HG SER A 27 8.255 -7.758 4.404 1.00 0.00 H new ATOM 382 N PHE A 28 6.457 -4.051 4.629 1.00 0.00 N ATOM 383 CA PHE A 28 5.803 -3.595 5.843 1.00 0.00 C ATOM 384 C PHE A 28 4.611 -4.488 6.193 1.00 0.00 C ATOM 385 O PHE A 28 3.636 -4.548 5.446 1.00 0.00 O ATOM 386 CB PHE A 28 5.300 -2.175 5.573 1.00 0.00 C ATOM 387 CG PHE A 28 6.396 -1.196 5.150 1.00 0.00 C ATOM 388 CD1 PHE A 28 7.275 -0.718 6.072 1.00 0.00 C ATOM 389 CD2 PHE A 28 6.493 -0.804 3.851 1.00 0.00 C ATOM 390 CE1 PHE A 28 8.293 0.190 5.678 1.00 0.00 C ATOM 391 CE2 PHE A 28 7.511 0.105 3.458 1.00 0.00 C ATOM 392 CZ PHE A 28 8.389 0.583 4.380 1.00 0.00 C ATOM 0 H PHE A 28 5.826 -4.250 3.853 1.00 0.00 H new ATOM 0 HA PHE A 28 6.503 -3.627 6.678 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.540 -2.212 4.793 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.815 -1.795 6.472 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.198 -1.029 7.103 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.796 -1.184 3.119 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.991 0.569 6.410 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.588 0.417 2.427 1.00 0.00 H new ATOM 0 HZ PHE A 28 9.163 1.275 4.081 1.00 0.00 H new ATOM 402 N LEU A 29 4.729 -5.159 7.329 1.00 0.00 N ATOM 403 CA LEU A 29 3.673 -6.046 7.787 1.00 0.00 C ATOM 404 C LEU A 29 2.541 -5.214 8.393 1.00 0.00 C ATOM 405 O LEU A 29 2.791 -4.252 9.117 1.00 0.00 O ATOM 406 CB LEU A 29 4.236 -7.103 8.739 1.00 0.00 C ATOM 407 CG LEU A 29 3.303 -8.267 9.077 1.00 0.00 C ATOM 408 CD1 LEU A 29 3.253 -9.280 7.932 1.00 0.00 C ATOM 409 CD2 LEU A 29 3.699 -8.921 10.403 1.00 0.00 C ATOM 0 H LEU A 29 5.540 -5.106 7.946 1.00 0.00 H new ATOM 0 HA LEU A 29 3.250 -6.599 6.948 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.147 -7.510 8.301 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.522 -6.611 9.669 1.00 0.00 H new ATOM 0 HG LEU A 29 2.295 -7.871 9.201 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.583 -10.097 8.198 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.888 -8.791 7.029 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.253 -9.675 7.752 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.020 -9.745 10.619 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.718 -9.300 10.332 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.641 -8.184 11.204 1.00 0.00 H new ATOM 421 N VAL A 30 1.319 -5.615 8.074 1.00 0.00 N ATOM 422 CA VAL A 30 0.147 -4.919 8.578 1.00 0.00 C ATOM 423 C VAL A 30 -0.780 -5.922 9.268 1.00 0.00 C ATOM 424 O VAL A 30 -1.627 -6.536 8.621 1.00 0.00 O ATOM 425 CB VAL A 30 -0.537 -4.157 7.441 1.00 0.00 C ATOM 426 CG1 VAL A 30 -1.417 -3.030 7.988 1.00 0.00 C ATOM 427 CG2 VAL A 30 0.492 -3.615 6.447 1.00 0.00 C ATOM 0 H VAL A 30 1.115 -6.413 7.473 1.00 0.00 H new ATOM 0 HA VAL A 30 0.434 -4.177 9.323 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.181 -4.857 6.908 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.892 -2.504 7.160 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.184 -3.450 8.638 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.803 -2.332 8.556 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.021 -3.078 5.649 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.173 -2.937 6.962 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.058 -4.444 6.021 1.00 0.00 H new ATOM 437 N SER A 31 -0.587 -6.057 10.571 1.00 0.00 N ATOM 438 CA SER A 31 -1.395 -6.975 11.356 1.00 0.00 C ATOM 439 C SER A 31 -2.846 -6.491 11.398 1.00 0.00 C ATOM 440 O SER A 31 -3.736 -7.222 11.829 1.00 0.00 O ATOM 441 CB SER A 31 -0.843 -7.120 12.775 1.00 0.00 C ATOM 442 OG SER A 31 -1.558 -8.095 13.530 1.00 0.00 O ATOM 0 H SER A 31 0.117 -5.546 11.104 1.00 0.00 H new ATOM 0 HA SER A 31 -1.359 -7.955 10.879 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.210 -7.399 12.728 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.895 -6.158 13.284 1.00 0.00 H new ATOM 0 HG SER A 31 -2.485 -8.137 13.215 1.00 0.00 H new ATOM 448 N ASP A 32 -3.039 -5.261 10.944 1.00 0.00 N ATOM 449 CA ASP A 32 -4.366 -4.670 10.924 1.00 0.00 C ATOM 450 C ASP A 32 -4.528 -3.833 9.655 1.00 0.00 C ATOM 451 O ASP A 32 -4.515 -2.604 9.711 1.00 0.00 O ATOM 452 CB ASP A 32 -4.577 -3.750 12.128 1.00 0.00 C ATOM 453 CG ASP A 32 -3.604 -2.573 12.221 1.00 0.00 C ATOM 454 OD1 ASP A 32 -2.384 -2.842 12.183 1.00 0.00 O ATOM 455 OD2 ASP A 32 -4.102 -1.432 12.329 1.00 0.00 O ATOM 0 H ASP A 32 -2.298 -4.658 10.587 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.096 -5.479 10.956 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.594 -3.359 12.094 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.494 -4.343 13.039 1.00 0.00 H new ATOM 460 N PRO A 33 -4.680 -4.549 8.509 1.00 0.00 N ATOM 461 CA PRO A 33 -4.844 -3.885 7.227 1.00 0.00 C ATOM 462 C PRO A 33 -6.251 -3.300 7.089 1.00 0.00 C ATOM 463 O PRO A 33 -6.483 -2.420 6.261 1.00 0.00 O ATOM 464 CB PRO A 33 -4.540 -4.953 6.189 1.00 0.00 C ATOM 465 CG PRO A 33 -4.672 -6.285 6.910 1.00 0.00 C ATOM 466 CD PRO A 33 -4.700 -6.005 8.403 1.00 0.00 C ATOM 0 HA PRO A 33 -4.177 -3.031 7.107 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.234 -4.892 5.351 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.537 -4.827 5.781 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.583 -6.798 6.601 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.837 -6.939 6.660 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.593 -6.423 8.867 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.841 -6.450 8.905 1.00 0.00 H new ATOM 474 N GLU A 34 -7.154 -3.812 7.912 1.00 0.00 N ATOM 475 CA GLU A 34 -8.532 -3.351 7.892 1.00 0.00 C ATOM 476 C GLU A 34 -8.737 -2.247 8.931 1.00 0.00 C ATOM 477 O GLU A 34 -9.458 -1.282 8.682 1.00 0.00 O ATOM 478 CB GLU A 34 -9.501 -4.512 8.125 1.00 0.00 C ATOM 479 CG GLU A 34 -9.737 -5.298 6.834 1.00 0.00 C ATOM 480 CD GLU A 34 -11.034 -4.857 6.153 1.00 0.00 C ATOM 481 OE1 GLU A 34 -11.245 -3.628 6.075 1.00 0.00 O ATOM 482 OE2 GLU A 34 -11.786 -5.760 5.726 1.00 0.00 O ATOM 0 H GLU A 34 -6.958 -4.542 8.597 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.743 -2.938 6.906 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.101 -5.176 8.891 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.450 -4.128 8.500 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.897 -5.150 6.155 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.783 -6.364 7.056 1.00 0.00 H new ATOM 489 N ASN A 35 -8.091 -2.426 10.074 1.00 0.00 N ATOM 490 CA ASN A 35 -8.194 -1.457 11.151 1.00 0.00 C ATOM 491 C ASN A 35 -7.444 -0.183 10.759 1.00 0.00 C ATOM 492 O ASN A 35 -8.007 0.910 10.801 1.00 0.00 O ATOM 493 CB ASN A 35 -7.568 -1.997 12.439 1.00 0.00 C ATOM 494 CG ASN A 35 -8.358 -1.540 13.667 1.00 0.00 C ATOM 495 OD1 ASN A 35 -8.168 -0.455 14.191 1.00 0.00 O ATOM 496 ND2 ASN A 35 -9.254 -2.426 14.094 1.00 0.00 N ATOM 0 H ASN A 35 -7.494 -3.228 10.277 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.251 -1.253 11.321 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.540 -3.086 12.405 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.536 -1.654 12.518 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.833 -2.215 14.907 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.362 -3.317 13.609 1.00 0.00 H new ATOM 503 N THR A 36 -6.186 -0.366 10.387 1.00 0.00 N ATOM 504 CA THR A 36 -5.353 0.756 9.987 1.00 0.00 C ATOM 505 C THR A 36 -5.987 1.498 8.809 1.00 0.00 C ATOM 506 O THR A 36 -6.882 0.972 8.149 1.00 0.00 O ATOM 507 CB THR A 36 -3.952 0.221 9.685 1.00 0.00 C ATOM 508 OG1 THR A 36 -3.098 1.340 9.906 1.00 0.00 O ATOM 509 CG2 THR A 36 -3.758 -0.110 8.204 1.00 0.00 C ATOM 0 H THR A 36 -5.723 -1.274 10.354 1.00 0.00 H new ATOM 0 HA THR A 36 -5.270 1.492 10.787 1.00 0.00 H new ATOM 0 HB THR A 36 -3.768 -0.672 10.283 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.169 1.081 9.734 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.747 -0.486 8.044 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.479 -0.870 7.904 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.909 0.790 7.607 1.00 0.00 H new ATOM 517 N THR A 37 -5.499 2.708 8.581 1.00 0.00 N ATOM 518 CA THR A 37 -6.007 3.528 7.494 1.00 0.00 C ATOM 519 C THR A 37 -4.910 3.776 6.456 1.00 0.00 C ATOM 520 O THR A 37 -3.724 3.730 6.778 1.00 0.00 O ATOM 521 CB THR A 37 -6.575 4.814 8.097 1.00 0.00 C ATOM 522 OG1 THR A 37 -5.647 5.156 9.122 1.00 0.00 O ATOM 523 CG2 THR A 37 -7.888 4.578 8.847 1.00 0.00 C ATOM 0 H THR A 37 -4.757 3.141 9.131 1.00 0.00 H new ATOM 0 HA THR A 37 -6.810 3.022 6.958 1.00 0.00 H new ATOM 0 HB THR A 37 -6.735 5.546 7.306 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.938 5.981 9.565 1.00 0.00 H new ATOM 0 HG21 THR A 37 -8.248 5.522 9.255 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.631 4.172 8.161 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.721 3.871 9.660 1.00 0.00 H new ATOM 531 N TRP A 38 -5.346 4.034 5.232 1.00 0.00 N ATOM 532 CA TRP A 38 -4.416 4.290 4.145 1.00 0.00 C ATOM 533 C TRP A 38 -3.534 5.474 4.546 1.00 0.00 C ATOM 534 O TRP A 38 -2.337 5.484 4.265 1.00 0.00 O ATOM 535 CB TRP A 38 -5.161 4.519 2.828 1.00 0.00 C ATOM 536 CG TRP A 38 -4.275 5.035 1.693 1.00 0.00 C ATOM 537 CD1 TRP A 38 -4.405 6.173 0.998 1.00 0.00 C ATOM 538 CD2 TRP A 38 -3.110 4.381 1.146 1.00 0.00 C ATOM 539 NE1 TRP A 38 -3.413 6.301 0.047 1.00 0.00 N ATOM 540 CE2 TRP A 38 -2.601 5.176 0.140 1.00 0.00 C ATOM 541 CE3 TRP A 38 -2.508 3.159 1.491 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -1.465 4.837 -0.604 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -1.373 2.833 0.737 1.00 0.00 C ATOM 544 CH2 TRP A 38 -0.848 3.623 -0.279 1.00 0.00 C ATOM 0 H TRP A 38 -6.331 4.071 4.969 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.778 3.423 3.972 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.624 3.582 2.517 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.968 5.232 2.998 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.188 6.899 1.161 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.297 7.078 -0.604 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -2.890 2.522 2.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.085 5.477 -1.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.871 1.903 0.961 1.00 0.00 H new ATOM 0 HH2 TRP A 38 0.032 3.302 -0.816 1.00 0.00 H new ATOM 555 N ALA A 39 -4.160 6.444 5.196 1.00 0.00 N ATOM 556 CA ALA A 39 -3.447 7.630 5.639 1.00 0.00 C ATOM 557 C ALA A 39 -2.255 7.211 6.501 1.00 0.00 C ATOM 558 O ALA A 39 -1.207 7.855 6.473 1.00 0.00 O ATOM 559 CB ALA A 39 -4.410 8.556 6.386 1.00 0.00 C ATOM 0 H ALA A 39 -5.154 6.433 5.427 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.058 8.185 4.785 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.875 9.446 6.718 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.223 8.848 5.721 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.819 8.034 7.251 1.00 0.00 H new ATOM 565 N ASP A 40 -2.454 6.134 7.246 1.00 0.00 N ATOM 566 CA ASP A 40 -1.408 5.621 8.115 1.00 0.00 C ATOM 567 C ASP A 40 -0.329 4.947 7.264 1.00 0.00 C ATOM 568 O ASP A 40 0.862 5.093 7.535 1.00 0.00 O ATOM 569 CB ASP A 40 -1.962 4.580 9.089 1.00 0.00 C ATOM 570 CG ASP A 40 -2.051 5.039 10.545 1.00 0.00 C ATOM 571 OD1 ASP A 40 -3.028 5.754 10.856 1.00 0.00 O ATOM 572 OD2 ASP A 40 -1.140 4.666 11.315 1.00 0.00 O ATOM 0 H ASP A 40 -3.324 5.602 7.266 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.997 6.458 8.679 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.957 4.286 8.755 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.334 3.690 9.042 1.00 0.00 H new ATOM 577 N ILE A 41 -0.786 4.223 6.253 1.00 0.00 N ATOM 578 CA ILE A 41 0.125 3.525 5.361 1.00 0.00 C ATOM 579 C ILE A 41 0.947 4.549 4.576 1.00 0.00 C ATOM 580 O ILE A 41 2.175 4.556 4.655 1.00 0.00 O ATOM 581 CB ILE A 41 -0.642 2.542 4.474 1.00 0.00 C ATOM 582 CG1 ILE A 41 -1.509 1.604 5.317 1.00 0.00 C ATOM 583 CG2 ILE A 41 0.311 1.773 3.557 1.00 0.00 C ATOM 584 CD1 ILE A 41 -0.657 0.520 5.981 1.00 0.00 C ATOM 0 H ILE A 41 -1.775 4.104 6.032 1.00 0.00 H new ATOM 0 HA ILE A 41 0.829 2.920 5.932 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.315 3.113 3.834 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.035 2.177 6.081 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.268 1.140 4.687 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.259 1.081 2.937 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.847 2.475 2.918 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.025 1.214 4.161 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.297 -0.133 6.574 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.152 -0.066 5.214 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.085 0.986 6.629 1.00 0.00 H new ATOM 596 N GLU A 42 0.238 5.389 3.837 1.00 0.00 N ATOM 597 CA GLU A 42 0.887 6.415 3.039 1.00 0.00 C ATOM 598 C GLU A 42 2.071 7.012 3.802 1.00 0.00 C ATOM 599 O GLU A 42 3.223 6.815 3.421 1.00 0.00 O ATOM 600 CB GLU A 42 -0.108 7.504 2.631 1.00 0.00 C ATOM 601 CG GLU A 42 0.433 8.332 1.464 1.00 0.00 C ATOM 602 CD GLU A 42 -0.643 8.543 0.396 1.00 0.00 C ATOM 603 OE1 GLU A 42 -1.392 9.534 0.535 1.00 0.00 O ATOM 604 OE2 GLU A 42 -0.691 7.710 -0.534 1.00 0.00 O ATOM 0 H GLU A 42 -0.780 5.380 3.774 1.00 0.00 H new ATOM 0 HA GLU A 42 1.264 5.953 2.127 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.057 7.047 2.349 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.309 8.155 3.482 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.782 9.298 1.830 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.293 7.828 1.024 1.00 0.00 H new ATOM 611 N ALA A 43 1.745 7.731 4.867 1.00 0.00 N ATOM 612 CA ALA A 43 2.767 8.358 5.687 1.00 0.00 C ATOM 613 C ALA A 43 3.878 7.345 5.973 1.00 0.00 C ATOM 614 O ALA A 43 5.038 7.579 5.636 1.00 0.00 O ATOM 615 CB ALA A 43 2.131 8.902 6.968 1.00 0.00 C ATOM 0 H ALA A 43 0.788 7.893 5.180 1.00 0.00 H new ATOM 0 HA ALA A 43 3.216 9.201 5.162 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.898 9.373 7.583 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.369 9.638 6.712 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.672 8.083 7.523 1.00 0.00 H new ATOM 621 N MET A 44 3.485 6.241 6.590 1.00 0.00 N ATOM 622 CA MET A 44 4.433 5.192 6.925 1.00 0.00 C ATOM 623 C MET A 44 5.484 5.032 5.824 1.00 0.00 C ATOM 624 O MET A 44 6.676 5.207 6.069 1.00 0.00 O ATOM 625 CB MET A 44 3.686 3.870 7.115 1.00 0.00 C ATOM 626 CG MET A 44 4.561 2.846 7.840 1.00 0.00 C ATOM 627 SD MET A 44 3.549 1.518 8.473 1.00 0.00 S ATOM 628 CE MET A 44 2.980 0.805 6.939 1.00 0.00 C ATOM 0 H MET A 44 2.522 6.050 6.867 1.00 0.00 H new ATOM 0 HA MET A 44 4.941 5.468 7.849 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.773 4.043 7.685 1.00 0.00 H new ATOM 0 HB3 MET A 44 3.386 3.475 6.145 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.312 2.448 7.157 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.097 3.327 8.658 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.418 -0.106 7.147 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.337 1.518 6.423 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.837 0.567 6.309 1.00 0.00 H new ATOM 638 N VAL A 45 5.003 4.700 4.635 1.00 0.00 N ATOM 639 CA VAL A 45 5.886 4.514 3.496 1.00 0.00 C ATOM 640 C VAL A 45 6.665 5.806 3.244 1.00 0.00 C ATOM 641 O VAL A 45 7.870 5.771 2.997 1.00 0.00 O ATOM 642 CB VAL A 45 5.080 4.054 2.279 1.00 0.00 C ATOM 643 CG1 VAL A 45 5.950 4.037 1.021 1.00 0.00 C ATOM 644 CG2 VAL A 45 4.447 2.684 2.527 1.00 0.00 C ATOM 0 H VAL A 45 4.013 4.555 4.436 1.00 0.00 H new ATOM 0 HA VAL A 45 6.615 3.730 3.701 1.00 0.00 H new ATOM 0 HB VAL A 45 4.274 4.771 2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.354 3.707 0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.332 5.040 0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.786 3.352 1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.880 2.380 1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.230 1.952 2.725 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.779 2.742 3.387 1.00 0.00 H new ATOM 654 N LYS A 46 5.946 6.917 3.315 1.00 0.00 N ATOM 655 CA LYS A 46 6.555 8.218 3.097 1.00 0.00 C ATOM 656 C LYS A 46 7.749 8.381 4.039 1.00 0.00 C ATOM 657 O LYS A 46 8.886 8.514 3.589 1.00 0.00 O ATOM 658 CB LYS A 46 5.510 9.328 3.231 1.00 0.00 C ATOM 659 CG LYS A 46 4.504 9.275 2.080 1.00 0.00 C ATOM 660 CD LYS A 46 3.418 10.340 2.252 1.00 0.00 C ATOM 661 CE LYS A 46 3.968 11.736 1.957 1.00 0.00 C ATOM 662 NZ LYS A 46 3.761 12.085 0.533 1.00 0.00 N ATOM 0 H LYS A 46 4.947 6.943 3.520 1.00 0.00 H new ATOM 0 HA LYS A 46 6.938 8.294 2.079 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.986 9.227 4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.005 10.299 3.242 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.021 9.427 1.133 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.046 8.287 2.038 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.584 10.125 1.584 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.028 10.306 3.269 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.473 12.470 2.593 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.031 11.772 2.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.683 12.214 0.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.240 11.319 0.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.215 12.968 0.468 1.00 0.00 H new ATOM 676 N VAL A 47 7.451 8.366 5.330 1.00 0.00 N ATOM 677 CA VAL A 47 8.486 8.510 6.340 1.00 0.00 C ATOM 678 C VAL A 47 9.568 7.454 6.109 1.00 0.00 C ATOM 679 O VAL A 47 10.758 7.742 6.229 1.00 0.00 O ATOM 680 CB VAL A 47 7.868 8.438 7.737 1.00 0.00 C ATOM 681 CG1 VAL A 47 6.892 9.594 7.966 1.00 0.00 C ATOM 682 CG2 VAL A 47 7.183 7.088 7.964 1.00 0.00 C ATOM 0 H VAL A 47 6.507 8.256 5.700 1.00 0.00 H new ATOM 0 HA VAL A 47 8.963 9.487 6.261 1.00 0.00 H new ATOM 0 HB VAL A 47 8.674 8.532 8.465 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.467 9.519 8.967 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.421 10.542 7.867 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.092 9.546 7.228 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.752 7.063 8.965 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.393 6.952 7.225 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.915 6.287 7.864 1.00 0.00 H new ATOM 692 N SER A 48 9.117 6.252 5.782 1.00 0.00 N ATOM 693 CA SER A 48 10.032 5.151 5.533 1.00 0.00 C ATOM 694 C SER A 48 11.111 5.582 4.538 1.00 0.00 C ATOM 695 O SER A 48 12.242 5.101 4.597 1.00 0.00 O ATOM 696 CB SER A 48 9.286 3.923 5.008 1.00 0.00 C ATOM 697 OG SER A 48 9.028 2.973 6.039 1.00 0.00 O ATOM 0 H SER A 48 8.130 6.016 5.684 1.00 0.00 H new ATOM 0 HA SER A 48 10.505 4.879 6.477 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.343 4.236 4.559 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.873 3.452 4.220 1.00 0.00 H new ATOM 0 HG SER A 48 9.178 2.068 5.695 1.00 0.00 H new ATOM 703 N PHE A 49 10.724 6.484 3.648 1.00 0.00 N ATOM 704 CA PHE A 49 11.645 6.985 2.642 1.00 0.00 C ATOM 705 C PHE A 49 11.737 8.511 2.695 1.00 0.00 C ATOM 706 O PHE A 49 12.180 9.144 1.737 1.00 0.00 O ATOM 707 CB PHE A 49 11.089 6.567 1.279 1.00 0.00 C ATOM 708 CG PHE A 49 11.072 5.054 1.052 1.00 0.00 C ATOM 709 CD1 PHE A 49 12.230 4.392 0.788 1.00 0.00 C ATOM 710 CD2 PHE A 49 9.897 4.370 1.115 1.00 0.00 C ATOM 711 CE1 PHE A 49 12.214 2.988 0.578 1.00 0.00 C ATOM 712 CE2 PHE A 49 9.881 2.966 0.904 1.00 0.00 C ATOM 713 CZ PHE A 49 11.039 2.304 0.640 1.00 0.00 C ATOM 0 H PHE A 49 9.785 6.881 3.603 1.00 0.00 H new ATOM 0 HA PHE A 49 12.642 6.581 2.816 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.074 6.951 1.179 1.00 0.00 H new ATOM 0 HB3 PHE A 49 11.685 7.035 0.496 1.00 0.00 H new ATOM 0 HD1 PHE A 49 13.162 4.935 0.738 1.00 0.00 H new ATOM 0 HD2 PHE A 49 8.977 4.895 1.325 1.00 0.00 H new ATOM 0 HE1 PHE A 49 13.134 2.463 0.369 1.00 0.00 H new ATOM 0 HE2 PHE A 49 8.948 2.423 0.953 1.00 0.00 H new ATOM 0 HZ PHE A 49 11.026 1.236 0.480 1.00 0.00 H new ATOM 723 N ASP A 50 11.312 9.059 3.824 1.00 0.00 N ATOM 724 CA ASP A 50 11.341 10.499 4.014 1.00 0.00 C ATOM 725 C ASP A 50 10.966 11.191 2.702 1.00 0.00 C ATOM 726 O ASP A 50 11.839 11.649 1.966 1.00 0.00 O ATOM 727 CB ASP A 50 12.739 10.974 4.416 1.00 0.00 C ATOM 728 CG ASP A 50 12.897 11.343 5.892 1.00 0.00 C ATOM 729 OD1 ASP A 50 12.490 10.512 6.732 1.00 0.00 O ATOM 730 OD2 ASP A 50 13.423 12.449 6.147 1.00 0.00 O ATOM 0 H ASP A 50 10.946 8.531 4.616 1.00 0.00 H new ATOM 0 HA ASP A 50 10.634 10.748 4.805 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.456 10.190 4.174 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.000 11.842 3.810 1.00 0.00 H new ATOM 735 N LEU A 51 9.666 11.244 2.449 1.00 0.00 N ATOM 736 CA LEU A 51 9.165 11.872 1.238 1.00 0.00 C ATOM 737 C LEU A 51 8.023 12.824 1.598 1.00 0.00 C ATOM 738 O LEU A 51 7.197 12.513 2.455 1.00 0.00 O ATOM 739 CB LEU A 51 8.780 10.812 0.205 1.00 0.00 C ATOM 740 CG LEU A 51 9.933 9.993 -0.378 1.00 0.00 C ATOM 741 CD1 LEU A 51 9.416 8.936 -1.356 1.00 0.00 C ATOM 742 CD2 LEU A 51 10.982 10.903 -1.020 1.00 0.00 C ATOM 0 H LEU A 51 8.945 10.863 3.062 1.00 0.00 H new ATOM 0 HA LEU A 51 9.945 12.472 0.769 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.070 10.125 0.666 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.260 11.305 -0.616 1.00 0.00 H new ATOM 0 HG LEU A 51 10.423 9.463 0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.256 8.368 -1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.736 8.261 -0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.887 9.425 -2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.791 10.296 -1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.522 11.479 -1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.382 11.584 -0.269 1.00 0.00 H new ATOM 754 N ASN A 52 8.012 13.965 0.925 1.00 0.00 N ATOM 755 CA ASN A 52 6.984 14.965 1.163 1.00 0.00 C ATOM 756 C ASN A 52 5.736 14.610 0.352 1.00 0.00 C ATOM 757 O ASN A 52 4.615 14.752 0.837 1.00 0.00 O ATOM 758 CB ASN A 52 7.454 16.353 0.724 1.00 0.00 C ATOM 759 CG ASN A 52 8.567 16.870 1.639 1.00 0.00 C ATOM 760 OD1 ASN A 52 8.327 17.425 2.698 1.00 0.00 O ATOM 761 ND2 ASN A 52 9.793 16.656 1.172 1.00 0.00 N ATOM 0 H ASN A 52 8.698 14.220 0.215 1.00 0.00 H new ATOM 0 HA ASN A 52 6.768 14.979 2.231 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.814 16.311 -0.304 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.614 17.047 0.739 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.604 16.963 1.709 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.923 16.185 0.277 1.00 0.00 H new ATOM 768 N THR A 53 5.973 14.155 -0.870 1.00 0.00 N ATOM 769 CA THR A 53 4.882 13.779 -1.753 1.00 0.00 C ATOM 770 C THR A 53 5.208 12.471 -2.476 1.00 0.00 C ATOM 771 O THR A 53 6.247 12.358 -3.125 1.00 0.00 O ATOM 772 CB THR A 53 4.618 14.949 -2.703 1.00 0.00 C ATOM 773 OG1 THR A 53 5.913 15.308 -3.180 1.00 0.00 O ATOM 774 CG2 THR A 53 4.131 16.200 -1.970 1.00 0.00 C ATOM 0 H THR A 53 6.904 14.038 -1.269 1.00 0.00 H new ATOM 0 HA THR A 53 3.968 13.585 -1.192 1.00 0.00 H new ATOM 0 HB THR A 53 3.878 14.653 -3.446 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.906 16.243 -3.472 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.959 17.000 -2.690 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.201 15.976 -1.447 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.885 16.517 -1.250 1.00 0.00 H new ATOM 782 N ILE A 54 4.301 11.515 -2.340 1.00 0.00 N ATOM 783 CA ILE A 54 4.479 10.219 -2.972 1.00 0.00 C ATOM 784 C ILE A 54 3.152 9.770 -3.588 1.00 0.00 C ATOM 785 O ILE A 54 2.094 10.293 -3.241 1.00 0.00 O ATOM 786 CB ILE A 54 5.066 9.214 -1.978 1.00 0.00 C ATOM 787 CG1 ILE A 54 3.965 8.578 -1.126 1.00 0.00 C ATOM 788 CG2 ILE A 54 6.152 9.864 -1.119 1.00 0.00 C ATOM 789 CD1 ILE A 54 4.520 7.428 -0.283 1.00 0.00 C ATOM 0 H ILE A 54 3.440 11.612 -1.801 1.00 0.00 H new ATOM 0 HA ILE A 54 5.202 10.288 -3.785 1.00 0.00 H new ATOM 0 HB ILE A 54 5.540 8.411 -2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.524 9.332 -0.474 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.168 8.209 -1.772 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.553 9.129 -0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 54 6.954 10.229 -1.761 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.725 10.698 -0.562 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.717 6.993 0.313 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.939 6.665 -0.939 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.300 7.805 0.379 1.00 0.00 H new ATOM 801 N GLN A 55 3.252 8.807 -4.492 1.00 0.00 N ATOM 802 CA GLN A 55 2.073 8.282 -5.160 1.00 0.00 C ATOM 803 C GLN A 55 2.160 6.759 -5.272 1.00 0.00 C ATOM 804 O GLN A 55 2.182 6.214 -6.374 1.00 0.00 O ATOM 805 CB GLN A 55 1.892 8.923 -6.537 1.00 0.00 C ATOM 806 CG GLN A 55 0.414 8.976 -6.928 1.00 0.00 C ATOM 807 CD GLN A 55 -0.356 9.947 -6.030 1.00 0.00 C ATOM 808 OE1 GLN A 55 -0.218 11.156 -6.117 1.00 0.00 O ATOM 809 NE2 GLN A 55 -1.172 9.352 -5.164 1.00 0.00 N ATOM 0 H GLN A 55 4.131 8.376 -4.778 1.00 0.00 H new ATOM 0 HA GLN A 55 1.198 8.533 -4.561 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.306 9.931 -6.530 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.449 8.355 -7.282 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.320 9.286 -7.969 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.022 7.980 -6.851 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.240 8.334 -5.144 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.730 9.913 -4.520 1.00 0.00 H new ATOM 818 N ILE A 56 2.206 6.114 -4.115 1.00 0.00 N ATOM 819 CA ILE A 56 2.290 4.664 -4.069 1.00 0.00 C ATOM 820 C ILE A 56 1.393 4.071 -5.157 1.00 0.00 C ATOM 821 O ILE A 56 0.389 4.674 -5.536 1.00 0.00 O ATOM 822 CB ILE A 56 1.971 4.154 -2.662 1.00 0.00 C ATOM 823 CG1 ILE A 56 2.948 4.730 -1.635 1.00 0.00 C ATOM 824 CG2 ILE A 56 1.940 2.624 -2.628 1.00 0.00 C ATOM 825 CD1 ILE A 56 2.201 5.309 -0.432 1.00 0.00 C ATOM 0 H ILE A 56 2.187 6.569 -3.202 1.00 0.00 H new ATOM 0 HA ILE A 56 3.307 4.334 -4.280 1.00 0.00 H new ATOM 0 HB ILE A 56 0.975 4.503 -2.390 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.632 3.950 -1.302 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.554 5.508 -2.100 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.711 2.287 -1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.175 2.260 -3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.912 2.234 -2.929 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.919 5.712 0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.536 6.105 -0.766 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.616 4.523 0.045 1.00 0.00 H new ATOM 837 N LYS A 57 1.786 2.897 -5.628 1.00 0.00 N ATOM 838 CA LYS A 57 1.029 2.215 -6.665 1.00 0.00 C ATOM 839 C LYS A 57 1.262 0.707 -6.552 1.00 0.00 C ATOM 840 O LYS A 57 2.395 0.241 -6.653 1.00 0.00 O ATOM 841 CB LYS A 57 1.371 2.789 -8.042 1.00 0.00 C ATOM 842 CG LYS A 57 0.675 4.133 -8.264 1.00 0.00 C ATOM 843 CD LYS A 57 0.274 4.307 -9.730 1.00 0.00 C ATOM 844 CE LYS A 57 0.201 5.788 -10.107 1.00 0.00 C ATOM 845 NZ LYS A 57 -1.097 6.098 -10.745 1.00 0.00 N ATOM 0 H LYS A 57 2.619 2.400 -5.311 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.040 2.384 -6.531 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.450 2.915 -8.129 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.068 2.086 -8.818 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.210 4.197 -7.631 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.339 4.944 -7.966 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.996 3.800 -10.371 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.693 3.836 -9.904 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.331 6.403 -9.216 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.016 6.037 -10.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.981 6.115 -11.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.793 5.370 -10.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.431 7.027 -10.419 1.00 0.00 H new ATOM 859 N TYR A 58 0.170 -0.013 -6.343 1.00 0.00 N ATOM 860 CA TYR A 58 0.240 -1.459 -6.215 1.00 0.00 C ATOM 861 C TYR A 58 -0.335 -2.148 -7.454 1.00 0.00 C ATOM 862 O TYR A 58 -1.304 -1.668 -8.042 1.00 0.00 O ATOM 863 CB TYR A 58 -0.620 -1.817 -5.002 1.00 0.00 C ATOM 864 CG TYR A 58 -2.120 -1.866 -5.295 1.00 0.00 C ATOM 865 CD1 TYR A 58 -2.673 -2.986 -5.881 1.00 0.00 C ATOM 866 CD2 TYR A 58 -2.922 -0.789 -4.973 1.00 0.00 C ATOM 867 CE1 TYR A 58 -4.086 -3.032 -6.157 1.00 0.00 C ATOM 868 CE2 TYR A 58 -4.334 -0.835 -5.248 1.00 0.00 C ATOM 869 CZ TYR A 58 -4.847 -1.954 -5.827 1.00 0.00 C ATOM 870 OH TYR A 58 -6.181 -1.997 -6.088 1.00 0.00 O ATOM 0 H TYR A 58 -0.768 0.378 -6.259 1.00 0.00 H new ATOM 0 HA TYR A 58 1.274 -1.785 -6.105 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.303 -2.787 -4.619 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.438 -1.088 -4.213 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -2.046 -3.829 -6.133 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.490 0.088 -4.515 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.531 -3.903 -6.616 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -4.972 0.000 -5.000 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.634 -1.282 -5.595 1.00 0.00 H new ATOM 880 N LEU A 59 0.285 -3.261 -7.815 1.00 0.00 N ATOM 881 CA LEU A 59 -0.153 -4.021 -8.974 1.00 0.00 C ATOM 882 C LEU A 59 -1.414 -4.808 -8.614 1.00 0.00 C ATOM 883 O LEU A 59 -1.479 -5.434 -7.557 1.00 0.00 O ATOM 884 CB LEU A 59 0.986 -4.893 -9.505 1.00 0.00 C ATOM 885 CG LEU A 59 2.006 -4.190 -10.403 1.00 0.00 C ATOM 886 CD1 LEU A 59 2.912 -5.205 -11.103 1.00 0.00 C ATOM 887 CD2 LEU A 59 1.311 -3.260 -11.399 1.00 0.00 C ATOM 0 H LEU A 59 1.088 -3.656 -7.325 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.417 -3.351 -9.792 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.515 -5.322 -8.654 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.552 -5.723 -10.062 1.00 0.00 H new ATOM 0 HG LEU A 59 2.644 -3.569 -9.774 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.628 -4.679 -11.735 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.449 -5.790 -10.356 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.306 -5.871 -11.718 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.059 -2.773 -12.025 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.634 -3.840 -12.027 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.744 -2.504 -10.856 1.00 0.00 H new ATOM 899 N ASP A 60 -2.385 -4.752 -9.514 1.00 0.00 N ATOM 900 CA ASP A 60 -3.641 -5.453 -9.304 1.00 0.00 C ATOM 901 C ASP A 60 -3.545 -6.854 -9.910 1.00 0.00 C ATOM 902 O ASP A 60 -2.482 -7.261 -10.377 1.00 0.00 O ATOM 903 CB ASP A 60 -4.800 -4.722 -9.986 1.00 0.00 C ATOM 904 CG ASP A 60 -4.453 -4.065 -11.324 1.00 0.00 C ATOM 905 OD1 ASP A 60 -3.965 -4.802 -12.208 1.00 0.00 O ATOM 906 OD2 ASP A 60 -4.684 -2.842 -11.432 1.00 0.00 O ATOM 0 H ASP A 60 -2.328 -4.232 -10.390 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.826 -5.501 -8.231 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.613 -5.431 -10.146 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.175 -3.955 -9.308 1.00 0.00 H new ATOM 911 N GLU A 61 -4.670 -7.554 -9.883 1.00 0.00 N ATOM 912 CA GLU A 61 -4.726 -8.902 -10.423 1.00 0.00 C ATOM 913 C GLU A 61 -4.402 -8.888 -11.918 1.00 0.00 C ATOM 914 O GLU A 61 -4.198 -9.940 -12.523 1.00 0.00 O ATOM 915 CB GLU A 61 -6.091 -9.540 -10.163 1.00 0.00 C ATOM 916 CG GLU A 61 -6.242 -9.932 -8.692 1.00 0.00 C ATOM 917 CD GLU A 61 -6.638 -11.404 -8.555 1.00 0.00 C ATOM 918 OE1 GLU A 61 -5.760 -12.255 -8.815 1.00 0.00 O ATOM 919 OE2 GLU A 61 -7.810 -11.645 -8.192 1.00 0.00 O ATOM 0 H GLU A 61 -5.550 -7.213 -9.496 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.976 -9.508 -9.915 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.881 -8.842 -10.440 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.210 -10.422 -10.792 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.304 -9.754 -8.166 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.997 -9.303 -8.220 1.00 0.00 H new ATOM 926 N GLU A 62 -4.367 -7.685 -12.472 1.00 0.00 N ATOM 927 CA GLU A 62 -4.072 -7.520 -13.886 1.00 0.00 C ATOM 928 C GLU A 62 -2.631 -7.043 -14.075 1.00 0.00 C ATOM 929 O GLU A 62 -2.184 -6.839 -15.203 1.00 0.00 O ATOM 930 CB GLU A 62 -5.060 -6.555 -14.543 1.00 0.00 C ATOM 931 CG GLU A 62 -6.500 -6.888 -14.146 1.00 0.00 C ATOM 932 CD GLU A 62 -7.306 -7.362 -15.357 1.00 0.00 C ATOM 933 OE1 GLU A 62 -6.831 -8.309 -16.020 1.00 0.00 O ATOM 934 OE2 GLU A 62 -8.380 -6.766 -15.592 1.00 0.00 O ATOM 0 H GLU A 62 -4.538 -6.815 -11.968 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.181 -8.488 -14.376 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.825 -5.532 -14.248 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.957 -6.606 -15.627 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.500 -7.662 -13.379 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.974 -6.008 -13.711 1.00 0.00 H new ATOM 941 N ASN A 63 -1.943 -6.879 -12.955 1.00 0.00 N ATOM 942 CA ASN A 63 -0.562 -6.430 -12.983 1.00 0.00 C ATOM 943 C ASN A 63 -0.520 -4.945 -13.349 1.00 0.00 C ATOM 944 O ASN A 63 0.489 -4.454 -13.852 1.00 0.00 O ATOM 945 CB ASN A 63 0.246 -7.198 -14.032 1.00 0.00 C ATOM 946 CG ASN A 63 -0.247 -8.641 -14.154 1.00 0.00 C ATOM 947 OD1 ASN A 63 -0.967 -9.003 -15.070 1.00 0.00 O ATOM 948 ND2 ASN A 63 0.180 -9.443 -13.182 1.00 0.00 N ATOM 0 H ASN A 63 -2.317 -7.049 -12.021 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.131 -6.604 -11.997 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.163 -6.699 -14.997 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.301 -7.192 -13.759 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -0.094 -10.426 -13.174 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.781 -9.075 -12.445 1.00 0.00 H new ATOM 955 N GLU A 64 -1.630 -4.271 -13.083 1.00 0.00 N ATOM 956 CA GLU A 64 -1.733 -2.852 -13.377 1.00 0.00 C ATOM 957 C GLU A 64 -1.527 -2.029 -12.104 1.00 0.00 C ATOM 958 O GLU A 64 -2.215 -2.240 -11.107 1.00 0.00 O ATOM 959 CB GLU A 64 -3.076 -2.525 -14.031 1.00 0.00 C ATOM 960 CG GLU A 64 -3.090 -2.952 -15.500 1.00 0.00 C ATOM 961 CD GLU A 64 -4.490 -2.808 -16.100 1.00 0.00 C ATOM 962 OE1 GLU A 64 -5.453 -3.160 -15.385 1.00 0.00 O ATOM 963 OE2 GLU A 64 -4.566 -2.348 -17.260 1.00 0.00 O ATOM 0 H GLU A 64 -2.466 -4.682 -12.667 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.947 -2.589 -14.086 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.878 -3.031 -13.494 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.269 -1.455 -13.958 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.384 -2.344 -16.066 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.759 -3.987 -15.585 1.00 0.00 H new ATOM 970 N GLU A 65 -0.578 -1.108 -12.180 1.00 0.00 N ATOM 971 CA GLU A 65 -0.273 -0.253 -11.046 1.00 0.00 C ATOM 972 C GLU A 65 -1.519 0.524 -10.617 1.00 0.00 C ATOM 973 O GLU A 65 -2.132 1.218 -11.427 1.00 0.00 O ATOM 974 CB GLU A 65 0.881 0.698 -11.371 1.00 0.00 C ATOM 975 CG GLU A 65 2.232 0.014 -11.155 1.00 0.00 C ATOM 976 CD GLU A 65 3.355 1.046 -11.030 1.00 0.00 C ATOM 977 OE1 GLU A 65 3.127 2.049 -10.320 1.00 0.00 O ATOM 978 OE2 GLU A 65 4.416 0.808 -11.646 1.00 0.00 O ATOM 0 H GLU A 65 -0.010 -0.935 -13.009 1.00 0.00 H new ATOM 0 HA GLU A 65 0.042 -0.884 -10.215 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.800 1.033 -12.405 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.814 1.585 -10.742 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.194 -0.598 -10.254 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.441 -0.657 -11.988 1.00 0.00 H new ATOM 985 N VAL A 66 -1.857 0.382 -9.344 1.00 0.00 N ATOM 986 CA VAL A 66 -3.020 1.061 -8.798 1.00 0.00 C ATOM 987 C VAL A 66 -2.581 1.964 -7.643 1.00 0.00 C ATOM 988 O VAL A 66 -2.010 1.490 -6.662 1.00 0.00 O ATOM 989 CB VAL A 66 -4.080 0.037 -8.387 1.00 0.00 C ATOM 990 CG1 VAL A 66 -5.317 0.729 -7.811 1.00 0.00 C ATOM 991 CG2 VAL A 66 -4.454 -0.866 -9.563 1.00 0.00 C ATOM 0 H VAL A 66 -1.346 -0.193 -8.675 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.480 1.698 -9.553 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.654 -0.591 -7.605 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.055 -0.022 -7.527 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.033 1.310 -6.933 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.745 1.393 -8.562 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.209 -1.585 -9.244 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.852 -0.259 -10.376 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.568 -1.399 -9.908 1.00 0.00 H new ATOM 1001 N SER A 67 -2.866 3.249 -7.797 1.00 0.00 N ATOM 1002 CA SER A 67 -2.508 4.222 -6.779 1.00 0.00 C ATOM 1003 C SER A 67 -3.656 4.379 -5.779 1.00 0.00 C ATOM 1004 O SER A 67 -4.807 4.561 -6.173 1.00 0.00 O ATOM 1005 CB SER A 67 -2.162 5.574 -7.407 1.00 0.00 C ATOM 1006 OG SER A 67 -3.316 6.392 -7.583 1.00 0.00 O ATOM 0 H SER A 67 -3.341 3.639 -8.611 1.00 0.00 H new ATOM 0 HA SER A 67 -1.624 3.859 -6.254 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.442 6.094 -6.775 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.681 5.413 -8.372 1.00 0.00 H new ATOM 0 HG SER A 67 -3.053 7.246 -7.985 1.00 0.00 H new ATOM 1012 N ILE A 68 -3.302 4.304 -4.505 1.00 0.00 N ATOM 1013 CA ILE A 68 -4.288 4.436 -3.445 1.00 0.00 C ATOM 1014 C ILE A 68 -4.362 5.899 -3.003 1.00 0.00 C ATOM 1015 O ILE A 68 -3.341 6.581 -2.927 1.00 0.00 O ATOM 1016 CB ILE A 68 -3.982 3.463 -2.305 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -4.028 2.014 -2.793 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -4.919 3.698 -1.118 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -3.422 1.066 -1.756 1.00 0.00 C ATOM 0 H ILE A 68 -2.346 4.154 -4.182 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.278 4.162 -3.809 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.967 3.653 -1.957 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.060 1.727 -2.994 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.484 1.926 -3.733 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.681 2.993 -0.321 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.793 4.717 -0.751 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.952 3.551 -1.435 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.467 0.043 -2.128 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.383 1.341 -1.575 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.984 1.139 -0.825 1.00 0.00 H new ATOM 1031 N ASN A 69 -5.580 6.338 -2.721 1.00 0.00 N ATOM 1032 CA ASN A 69 -5.800 7.707 -2.288 1.00 0.00 C ATOM 1033 C ASN A 69 -6.549 7.701 -0.953 1.00 0.00 C ATOM 1034 O ASN A 69 -6.208 8.455 -0.043 1.00 0.00 O ATOM 1035 CB ASN A 69 -6.649 8.476 -3.302 1.00 0.00 C ATOM 1036 CG ASN A 69 -5.768 9.319 -4.227 1.00 0.00 C ATOM 1037 OD1 ASN A 69 -5.620 10.519 -4.061 1.00 0.00 O ATOM 1038 ND2 ASN A 69 -5.194 8.627 -5.207 1.00 0.00 N ATOM 0 H ASN A 69 -6.425 5.770 -2.784 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.828 8.190 -2.191 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.238 7.776 -3.894 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.353 9.121 -2.777 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.587 9.099 -5.877 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.360 7.624 -5.288 1.00 0.00 H new ATOM 1045 N SER A 70 -7.555 6.842 -0.880 1.00 0.00 N ATOM 1046 CA SER A 70 -8.354 6.728 0.328 1.00 0.00 C ATOM 1047 C SER A 70 -8.314 5.290 0.848 1.00 0.00 C ATOM 1048 O SER A 70 -7.626 4.440 0.283 1.00 0.00 O ATOM 1049 CB SER A 70 -9.800 7.160 0.075 1.00 0.00 C ATOM 1050 OG SER A 70 -10.251 8.106 1.040 1.00 0.00 O ATOM 0 H SER A 70 -7.835 6.219 -1.637 1.00 0.00 H new ATOM 0 HA SER A 70 -7.931 7.392 1.081 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.880 7.593 -0.922 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.449 6.284 0.095 1.00 0.00 H new ATOM 0 HG SER A 70 -11.177 8.358 0.843 1.00 0.00 H new ATOM 1056 N GLN A 71 -9.059 5.060 1.920 1.00 0.00 N ATOM 1057 CA GLN A 71 -9.117 3.740 2.522 1.00 0.00 C ATOM 1058 C GLN A 71 -9.753 2.741 1.553 1.00 0.00 C ATOM 1059 O GLN A 71 -9.150 1.721 1.222 1.00 0.00 O ATOM 1060 CB GLN A 71 -9.878 3.775 3.849 1.00 0.00 C ATOM 1061 CG GLN A 71 -9.988 2.375 4.456 1.00 0.00 C ATOM 1062 CD GLN A 71 -8.891 2.141 5.497 1.00 0.00 C ATOM 1063 OE1 GLN A 71 -9.103 2.244 6.694 1.00 0.00 O ATOM 1064 NE2 GLN A 71 -7.710 1.821 4.976 1.00 0.00 N ATOM 0 H GLN A 71 -9.627 5.767 2.387 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.098 3.414 2.733 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.368 4.439 4.547 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.875 4.185 3.690 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.967 2.252 4.920 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.912 1.626 3.668 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.601 1.752 3.964 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.913 1.645 5.588 1.00 0.00 H new ATOM 1073 N GLY A 72 -10.963 3.070 1.124 1.00 0.00 N ATOM 1074 CA GLY A 72 -11.687 2.214 0.200 1.00 0.00 C ATOM 1075 C GLY A 72 -10.746 1.621 -0.850 1.00 0.00 C ATOM 1076 O GLY A 72 -10.787 0.421 -1.119 1.00 0.00 O ATOM 0 H GLY A 72 -11.460 3.917 1.399 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.176 1.410 0.750 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -12.473 2.787 -0.293 1.00 0.00 H new ATOM 1080 N GLU A 73 -9.919 2.488 -1.415 1.00 0.00 N ATOM 1081 CA GLU A 73 -8.968 2.065 -2.429 1.00 0.00 C ATOM 1082 C GLU A 73 -8.038 0.988 -1.868 1.00 0.00 C ATOM 1083 O GLU A 73 -7.838 -0.052 -2.495 1.00 0.00 O ATOM 1084 CB GLU A 73 -8.169 3.255 -2.963 1.00 0.00 C ATOM 1085 CG GLU A 73 -8.909 3.940 -4.115 1.00 0.00 C ATOM 1086 CD GLU A 73 -7.930 4.663 -5.042 1.00 0.00 C ATOM 1087 OE1 GLU A 73 -7.348 5.668 -4.580 1.00 0.00 O ATOM 1088 OE2 GLU A 73 -7.786 4.194 -6.192 1.00 0.00 O ATOM 0 H GLU A 73 -9.888 3.482 -1.190 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.524 1.639 -3.264 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.996 3.971 -2.160 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.191 2.917 -3.304 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.472 3.199 -4.682 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.631 4.652 -3.716 1.00 0.00 H new ATOM 1095 N TYR A 74 -7.495 1.273 -0.694 1.00 0.00 N ATOM 1096 CA TYR A 74 -6.591 0.341 -0.041 1.00 0.00 C ATOM 1097 C TYR A 74 -7.302 -0.973 0.289 1.00 0.00 C ATOM 1098 O TYR A 74 -6.809 -2.050 -0.043 1.00 0.00 O ATOM 1099 CB TYR A 74 -6.159 1.016 1.262 1.00 0.00 C ATOM 1100 CG TYR A 74 -5.128 0.218 2.064 1.00 0.00 C ATOM 1101 CD1 TYR A 74 -4.204 -0.570 1.408 1.00 0.00 C ATOM 1102 CD2 TYR A 74 -5.122 0.287 3.442 1.00 0.00 C ATOM 1103 CE1 TYR A 74 -3.234 -1.321 2.162 1.00 0.00 C ATOM 1104 CE2 TYR A 74 -4.152 -0.463 4.196 1.00 0.00 C ATOM 1105 CZ TYR A 74 -3.256 -1.230 3.519 1.00 0.00 C ATOM 1106 OH TYR A 74 -2.340 -1.939 4.232 1.00 0.00 O ATOM 0 H TYR A 74 -7.663 2.136 -0.178 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.747 0.106 -0.690 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.744 1.997 1.031 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.039 1.181 1.883 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.209 -0.623 0.329 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.845 0.904 3.955 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.506 -1.942 1.662 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.136 -0.418 5.275 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.795 -2.443 4.939 1.00 0.00 H new ATOM 1116 N GLU A 75 -8.449 -0.840 0.939 1.00 0.00 N ATOM 1117 CA GLU A 75 -9.233 -2.004 1.317 1.00 0.00 C ATOM 1118 C GLU A 75 -9.198 -3.053 0.205 1.00 0.00 C ATOM 1119 O GLU A 75 -8.642 -4.136 0.384 1.00 0.00 O ATOM 1120 CB GLU A 75 -10.672 -1.609 1.654 1.00 0.00 C ATOM 1121 CG GLU A 75 -10.732 -0.813 2.959 1.00 0.00 C ATOM 1122 CD GLU A 75 -11.756 -1.416 3.923 1.00 0.00 C ATOM 1123 OE1 GLU A 75 -11.860 -2.662 3.934 1.00 0.00 O ATOM 1124 OE2 GLU A 75 -12.412 -0.618 4.626 1.00 0.00 O ATOM 0 H GLU A 75 -8.854 0.055 1.213 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.791 -2.440 2.213 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -11.089 -1.014 0.842 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.287 -2.504 1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.748 -0.802 3.428 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.995 0.223 2.745 1.00 0.00 H new ATOM 1131 N GLU A 76 -9.798 -2.696 -0.921 1.00 0.00 N ATOM 1132 CA GLU A 76 -9.842 -3.593 -2.063 1.00 0.00 C ATOM 1133 C GLU A 76 -8.464 -4.211 -2.306 1.00 0.00 C ATOM 1134 O GLU A 76 -8.339 -5.428 -2.432 1.00 0.00 O ATOM 1135 CB GLU A 76 -10.346 -2.867 -3.312 1.00 0.00 C ATOM 1136 CG GLU A 76 -11.842 -2.567 -3.207 1.00 0.00 C ATOM 1137 CD GLU A 76 -12.585 -3.040 -4.458 1.00 0.00 C ATOM 1138 OE1 GLU A 76 -12.623 -2.253 -5.427 1.00 0.00 O ATOM 1139 OE2 GLU A 76 -13.099 -4.179 -4.416 1.00 0.00 O ATOM 0 H GLU A 76 -10.258 -1.797 -1.067 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.545 -4.396 -1.842 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.794 -1.937 -3.444 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -10.155 -3.479 -4.194 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.254 -3.060 -2.327 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.993 -1.496 -3.073 1.00 0.00 H new ATOM 1146 N ALA A 77 -7.464 -3.344 -2.366 1.00 0.00 N ATOM 1147 CA ALA A 77 -6.100 -3.789 -2.591 1.00 0.00 C ATOM 1148 C ALA A 77 -5.739 -4.858 -1.558 1.00 0.00 C ATOM 1149 O ALA A 77 -5.112 -5.862 -1.891 1.00 0.00 O ATOM 1150 CB ALA A 77 -5.155 -2.587 -2.541 1.00 0.00 C ATOM 0 H ALA A 77 -7.572 -2.335 -2.263 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.002 -4.239 -3.579 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.131 -2.922 -2.710 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.435 -1.872 -3.314 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.224 -2.110 -1.563 1.00 0.00 H new ATOM 1156 N LEU A 78 -6.151 -4.606 -0.324 1.00 0.00 N ATOM 1157 CA LEU A 78 -5.879 -5.534 0.760 1.00 0.00 C ATOM 1158 C LEU A 78 -6.591 -6.859 0.482 1.00 0.00 C ATOM 1159 O LEU A 78 -6.043 -7.929 0.743 1.00 0.00 O ATOM 1160 CB LEU A 78 -6.249 -4.908 2.106 1.00 0.00 C ATOM 1161 CG LEU A 78 -5.225 -3.937 2.698 1.00 0.00 C ATOM 1162 CD1 LEU A 78 -5.830 -3.142 3.857 1.00 0.00 C ATOM 1163 CD2 LEU A 78 -3.948 -4.671 3.112 1.00 0.00 C ATOM 0 H LEU A 78 -6.671 -3.772 -0.051 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.812 -5.751 0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.196 -4.381 1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.416 -5.711 2.824 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.948 -3.220 1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.082 -2.459 4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.686 -2.571 3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.153 -3.829 4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.237 -3.958 3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.188 -5.425 3.862 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.507 -5.154 2.240 1.00 0.00 H new ATOM 1175 N LYS A 79 -7.802 -6.745 -0.044 1.00 0.00 N ATOM 1176 CA LYS A 79 -8.594 -7.921 -0.361 1.00 0.00 C ATOM 1177 C LYS A 79 -7.872 -8.745 -1.428 1.00 0.00 C ATOM 1178 O LYS A 79 -8.052 -9.960 -1.507 1.00 0.00 O ATOM 1179 CB LYS A 79 -10.017 -7.518 -0.754 1.00 0.00 C ATOM 1180 CG LYS A 79 -10.664 -6.659 0.335 1.00 0.00 C ATOM 1181 CD LYS A 79 -12.052 -6.182 -0.096 1.00 0.00 C ATOM 1182 CE LYS A 79 -12.934 -7.362 -0.507 1.00 0.00 C ATOM 1183 NZ LYS A 79 -14.268 -7.258 0.127 1.00 0.00 N ATOM 0 H LYS A 79 -8.254 -5.856 -0.259 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.698 -8.558 0.517 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.996 -6.966 -1.693 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.618 -8.411 -0.923 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.743 -7.234 1.258 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.030 -5.799 0.549 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.524 -5.638 0.722 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.959 -5.486 -0.929 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.041 -7.383 -1.592 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.458 -8.298 -0.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.854 -8.067 -0.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.162 -7.260 1.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.726 -6.374 -0.172 1.00 0.00 H new ATOM 1197 N MET A 80 -7.069 -8.053 -2.222 1.00 0.00 N ATOM 1198 CA MET A 80 -6.318 -8.706 -3.281 1.00 0.00 C ATOM 1199 C MET A 80 -5.035 -9.336 -2.736 1.00 0.00 C ATOM 1200 O MET A 80 -4.656 -10.433 -3.143 1.00 0.00 O ATOM 1201 CB MET A 80 -5.965 -7.683 -4.363 1.00 0.00 C ATOM 1202 CG MET A 80 -5.947 -8.332 -5.748 1.00 0.00 C ATOM 1203 SD MET A 80 -5.082 -7.283 -6.903 1.00 0.00 S ATOM 1204 CE MET A 80 -3.395 -7.644 -6.447 1.00 0.00 C ATOM 0 H MET A 80 -6.922 -7.046 -2.153 1.00 0.00 H new ATOM 0 HA MET A 80 -6.937 -9.497 -3.704 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.690 -6.869 -4.349 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.990 -7.245 -4.150 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.462 -9.307 -5.696 1.00 0.00 H new ATOM 0 HG3 MET A 80 -6.967 -8.502 -6.092 1.00 0.00 H new ATOM 0 HE1 MET A 80 -2.967 -6.786 -5.928 1.00 0.00 H new ATOM 0 HE2 MET A 80 -3.374 -8.513 -5.790 1.00 0.00 H new ATOM 0 HE3 MET A 80 -2.812 -7.853 -7.344 1.00 0.00 H new ATOM 1214 N ALA A 81 -4.402 -8.615 -1.822 1.00 0.00 N ATOM 1215 CA ALA A 81 -3.169 -9.089 -1.217 1.00 0.00 C ATOM 1216 C ALA A 81 -3.397 -10.485 -0.633 1.00 0.00 C ATOM 1217 O ALA A 81 -2.516 -11.341 -0.700 1.00 0.00 O ATOM 1218 CB ALA A 81 -2.699 -8.086 -0.162 1.00 0.00 C ATOM 0 H ALA A 81 -4.720 -7.706 -1.486 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.380 -9.169 -1.965 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.774 -8.442 0.292 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.524 -7.118 -0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.464 -7.982 0.607 1.00 0.00 H new ATOM 1224 N VAL A 82 -4.584 -10.671 -0.075 1.00 0.00 N ATOM 1225 CA VAL A 82 -4.939 -11.949 0.520 1.00 0.00 C ATOM 1226 C VAL A 82 -4.906 -13.035 -0.557 1.00 0.00 C ATOM 1227 O VAL A 82 -4.417 -14.137 -0.317 1.00 0.00 O ATOM 1228 CB VAL A 82 -6.295 -11.841 1.220 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -6.723 -13.192 1.797 1.00 0.00 C ATOM 1230 CG2 VAL A 82 -6.268 -10.764 2.306 1.00 0.00 C ATOM 0 H VAL A 82 -5.312 -9.959 -0.022 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.215 -12.229 1.285 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.034 -11.546 0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.690 -13.088 2.289 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.803 -13.923 0.992 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.982 -13.530 2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.244 -10.708 2.788 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.511 -11.015 3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.030 -9.800 1.857 1.00 0.00 H new ATOM 1240 N LYS A 83 -5.434 -12.685 -1.721 1.00 0.00 N ATOM 1241 CA LYS A 83 -5.471 -13.616 -2.836 1.00 0.00 C ATOM 1242 C LYS A 83 -4.045 -14.043 -3.186 1.00 0.00 C ATOM 1243 O LYS A 83 -3.764 -15.234 -3.318 1.00 0.00 O ATOM 1244 CB LYS A 83 -6.239 -13.012 -4.013 1.00 0.00 C ATOM 1245 CG LYS A 83 -7.706 -12.778 -3.649 1.00 0.00 C ATOM 1246 CD LYS A 83 -8.605 -12.916 -4.879 1.00 0.00 C ATOM 1247 CE LYS A 83 -9.317 -11.598 -5.190 1.00 0.00 C ATOM 1248 NZ LYS A 83 -10.691 -11.852 -5.677 1.00 0.00 N ATOM 0 H LYS A 83 -5.840 -11.770 -1.916 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.015 -14.519 -2.560 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.779 -12.069 -4.306 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.176 -13.678 -4.873 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.014 -13.494 -2.887 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.823 -11.784 -3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.007 -13.222 -5.738 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.343 -13.700 -4.708 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.351 -10.977 -4.295 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.755 -11.043 -5.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.159 -10.947 -5.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.652 -12.426 -6.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.229 -12.362 -4.948 1.00 0.00 H new ATOM 1262 N GLN A 84 -3.181 -13.049 -3.326 1.00 0.00 N ATOM 1263 CA GLN A 84 -1.790 -13.307 -3.658 1.00 0.00 C ATOM 1264 C GLN A 84 -1.167 -14.257 -2.634 1.00 0.00 C ATOM 1265 O GLN A 84 -0.742 -15.358 -2.981 1.00 0.00 O ATOM 1266 CB GLN A 84 -0.997 -12.001 -3.749 1.00 0.00 C ATOM 1267 CG GLN A 84 -1.804 -10.918 -4.466 1.00 0.00 C ATOM 1268 CD GLN A 84 -0.979 -10.263 -5.576 1.00 0.00 C ATOM 1269 OE1 GLN A 84 -0.336 -10.921 -6.377 1.00 0.00 O ATOM 1270 NE2 GLN A 84 -1.033 -8.934 -5.578 1.00 0.00 N ATOM 0 H GLN A 84 -3.417 -12.063 -3.216 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.753 -13.785 -4.637 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.734 -11.660 -2.747 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.062 -12.175 -4.282 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.709 -11.354 -4.890 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.121 -10.161 -3.749 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.591 -8.445 -4.878 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.516 -8.404 -6.279 1.00 0.00 H new ATOM 1279 N GLY A 85 -1.132 -13.796 -1.392 1.00 0.00 N ATOM 1280 CA GLY A 85 -0.568 -14.592 -0.315 1.00 0.00 C ATOM 1281 C GLY A 85 -0.295 -13.729 0.919 1.00 0.00 C ATOM 1282 O GLY A 85 0.744 -13.870 1.562 1.00 0.00 O ATOM 0 H GLY A 85 -1.485 -12.882 -1.108 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.255 -15.398 -0.055 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.359 -15.058 -0.649 1.00 0.00 H new ATOM 1286 N ASN A 86 -1.246 -12.855 1.212 1.00 0.00 N ATOM 1287 CA ASN A 86 -1.122 -11.969 2.358 1.00 0.00 C ATOM 1288 C ASN A 86 -0.002 -10.960 2.097 1.00 0.00 C ATOM 1289 O ASN A 86 0.669 -10.518 3.028 1.00 0.00 O ATOM 1290 CB ASN A 86 -0.768 -12.752 3.623 1.00 0.00 C ATOM 1291 CG ASN A 86 -1.704 -13.947 3.809 1.00 0.00 C ATOM 1292 OD1 ASN A 86 -1.524 -15.006 3.230 1.00 0.00 O ATOM 1293 ND2 ASN A 86 -2.712 -13.720 4.647 1.00 0.00 N ATOM 0 H ASN A 86 -2.106 -12.741 0.676 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.078 -11.466 2.501 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.263 -13.100 3.563 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.833 -12.096 4.491 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.392 -14.456 4.838 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.805 -12.810 5.099 1.00 0.00 H new ATOM 1300 N GLN A 87 0.165 -10.624 0.826 1.00 0.00 N ATOM 1301 CA GLN A 87 1.191 -9.675 0.431 1.00 0.00 C ATOM 1302 C GLN A 87 0.709 -8.833 -0.752 1.00 0.00 C ATOM 1303 O GLN A 87 -0.154 -9.265 -1.515 1.00 0.00 O ATOM 1304 CB GLN A 87 2.501 -10.392 0.097 1.00 0.00 C ATOM 1305 CG GLN A 87 2.359 -11.229 -1.176 1.00 0.00 C ATOM 1306 CD GLN A 87 2.701 -10.402 -2.417 1.00 0.00 C ATOM 1307 OE1 GLN A 87 3.107 -9.254 -2.337 1.00 0.00 O ATOM 1308 NE2 GLN A 87 2.513 -11.046 -3.565 1.00 0.00 N ATOM 0 H GLN A 87 -0.394 -10.993 0.056 1.00 0.00 H new ATOM 0 HA GLN A 87 1.384 -9.008 1.271 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.298 -9.660 -0.032 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.790 -11.035 0.929 1.00 0.00 H new ATOM 0 HG2 GLN A 87 3.016 -12.097 -1.120 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.339 -11.606 -1.256 1.00 0.00 H new ATOM 0 HE21 GLN A 87 2.171 -12.007 -3.561 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.711 -10.579 -4.450 1.00 0.00 H new ATOM 1317 N LEU A 88 1.288 -7.647 -0.868 1.00 0.00 N ATOM 1318 CA LEU A 88 0.929 -6.741 -1.945 1.00 0.00 C ATOM 1319 C LEU A 88 2.187 -6.034 -2.453 1.00 0.00 C ATOM 1320 O LEU A 88 3.015 -5.587 -1.660 1.00 0.00 O ATOM 1321 CB LEU A 88 -0.175 -5.783 -1.494 1.00 0.00 C ATOM 1322 CG LEU A 88 -0.882 -5.002 -2.604 1.00 0.00 C ATOM 1323 CD1 LEU A 88 -1.538 -5.951 -3.609 1.00 0.00 C ATOM 1324 CD2 LEU A 88 -1.883 -4.004 -2.020 1.00 0.00 C ATOM 0 H LEU A 88 2.004 -7.293 -0.233 1.00 0.00 H new ATOM 0 HA LEU A 88 0.514 -7.296 -2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.924 -6.355 -0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.256 -5.069 -0.792 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.133 -4.426 -3.147 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.034 -5.371 -4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.776 -6.587 -4.060 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.272 -6.572 -3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.371 -3.462 -2.830 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.633 -4.539 -1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.359 -3.298 -1.376 1.00 0.00 H new ATOM 1336 N GLN A 89 2.291 -5.955 -3.771 1.00 0.00 N ATOM 1337 CA GLN A 89 3.435 -5.310 -4.394 1.00 0.00 C ATOM 1338 C GLN A 89 3.123 -3.840 -4.683 1.00 0.00 C ATOM 1339 O GLN A 89 2.436 -3.527 -5.655 1.00 0.00 O ATOM 1340 CB GLN A 89 3.851 -6.044 -5.670 1.00 0.00 C ATOM 1341 CG GLN A 89 4.949 -7.069 -5.380 1.00 0.00 C ATOM 1342 CD GLN A 89 4.392 -8.494 -5.418 1.00 0.00 C ATOM 1343 OE1 GLN A 89 3.357 -8.799 -4.848 1.00 0.00 O ATOM 1344 NE2 GLN A 89 5.135 -9.346 -6.118 1.00 0.00 N ATOM 0 H GLN A 89 1.602 -6.327 -4.425 1.00 0.00 H new ATOM 0 HA GLN A 89 4.274 -5.353 -3.700 1.00 0.00 H new ATOM 0 HB2 GLN A 89 2.986 -6.546 -6.104 1.00 0.00 H new ATOM 0 HB3 GLN A 89 4.206 -5.325 -6.408 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.749 -6.968 -6.113 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.387 -6.872 -4.401 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.991 -9.024 -6.570 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.849 -10.321 -6.203 1.00 0.00 H new ATOM 1353 N MET A 90 3.642 -2.977 -3.822 1.00 0.00 N ATOM 1354 CA MET A 90 3.427 -1.548 -3.974 1.00 0.00 C ATOM 1355 C MET A 90 4.690 -0.855 -4.490 1.00 0.00 C ATOM 1356 O MET A 90 5.804 -1.260 -4.159 1.00 0.00 O ATOM 1357 CB MET A 90 3.029 -0.946 -2.625 1.00 0.00 C ATOM 1358 CG MET A 90 1.759 -1.605 -2.083 1.00 0.00 C ATOM 1359 SD MET A 90 1.651 -1.364 -0.318 1.00 0.00 S ATOM 1360 CE MET A 90 0.289 -0.212 -0.244 1.00 0.00 C ATOM 0 H MET A 90 4.211 -3.240 -3.017 1.00 0.00 H new ATOM 0 HA MET A 90 2.629 -1.395 -4.700 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.843 -1.075 -1.911 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.868 0.126 -2.735 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.882 -1.179 -2.571 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.766 -2.670 -2.313 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.264 -0.361 0.684 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.673 0.808 -0.278 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.375 -0.378 -1.093 1.00 0.00 H new ATOM 1370 N GLN A 91 4.474 0.177 -5.292 1.00 0.00 N ATOM 1371 CA GLN A 91 5.581 0.929 -5.857 1.00 0.00 C ATOM 1372 C GLN A 91 5.430 2.418 -5.537 1.00 0.00 C ATOM 1373 O GLN A 91 4.466 3.053 -5.962 1.00 0.00 O ATOM 1374 CB GLN A 91 5.686 0.701 -7.366 1.00 0.00 C ATOM 1375 CG GLN A 91 6.279 -0.675 -7.673 1.00 0.00 C ATOM 1376 CD GLN A 91 6.056 -1.054 -9.139 1.00 0.00 C ATOM 1377 OE1 GLN A 91 6.287 -0.276 -10.050 1.00 0.00 O ATOM 1378 NE2 GLN A 91 5.595 -2.289 -9.314 1.00 0.00 N ATOM 0 H GLN A 91 3.549 0.510 -5.564 1.00 0.00 H new ATOM 0 HA GLN A 91 6.506 0.572 -5.404 1.00 0.00 H new ATOM 0 HB2 GLN A 91 4.698 0.785 -7.820 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.308 1.477 -7.812 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.347 -0.672 -7.453 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.822 -1.424 -7.026 1.00 0.00 H new ATOM 0 HE21 GLN A 91 5.423 -2.888 -8.507 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.413 -2.637 -10.255 1.00 0.00 H new ATOM 1387 N VAL A 92 6.396 2.931 -4.789 1.00 0.00 N ATOM 1388 CA VAL A 92 6.381 4.332 -4.406 1.00 0.00 C ATOM 1389 C VAL A 92 6.717 5.193 -5.626 1.00 0.00 C ATOM 1390 O VAL A 92 7.533 4.802 -6.460 1.00 0.00 O ATOM 1391 CB VAL A 92 7.334 4.564 -3.231 1.00 0.00 C ATOM 1392 CG1 VAL A 92 7.882 5.992 -3.243 1.00 0.00 C ATOM 1393 CG2 VAL A 92 6.648 4.251 -1.900 1.00 0.00 C ATOM 0 H VAL A 92 7.194 2.401 -4.438 1.00 0.00 H new ATOM 0 HA VAL A 92 5.388 4.624 -4.065 1.00 0.00 H new ATOM 0 HB VAL A 92 8.177 3.882 -3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.556 6.130 -2.398 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.425 6.166 -4.172 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.056 6.699 -3.168 1.00 0.00 H new ATOM 0 HG21 VAL A 92 7.346 4.424 -1.081 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.779 4.897 -1.778 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.329 3.209 -1.891 1.00 0.00 H new ATOM 1403 N HIS A 93 6.071 6.348 -5.691 1.00 0.00 N ATOM 1404 CA HIS A 93 6.291 7.267 -6.795 1.00 0.00 C ATOM 1405 C HIS A 93 6.176 8.708 -6.294 1.00 0.00 C ATOM 1406 O HIS A 93 5.073 9.231 -6.146 1.00 0.00 O ATOM 1407 CB HIS A 93 5.337 6.963 -7.952 1.00 0.00 C ATOM 1408 CG HIS A 93 5.713 5.740 -8.754 1.00 0.00 C ATOM 1409 ND1 HIS A 93 6.840 5.687 -9.556 1.00 0.00 N ATOM 1410 CD2 HIS A 93 5.101 4.527 -8.868 1.00 0.00 C ATOM 1411 CE1 HIS A 93 6.893 4.490 -10.123 1.00 0.00 C ATOM 1412 NE2 HIS A 93 5.815 3.773 -9.696 1.00 0.00 N ATOM 0 H HIS A 93 5.395 6.668 -4.997 1.00 0.00 H new ATOM 0 HA HIS A 93 7.299 7.136 -7.188 1.00 0.00 H new ATOM 0 HB2 HIS A 93 4.331 6.829 -7.554 1.00 0.00 H new ATOM 0 HB3 HIS A 93 5.304 7.825 -8.618 1.00 0.00 H new ATOM 0 HD2 HIS A 93 4.190 4.230 -8.370 1.00 0.00 H new ATOM 0 HE1 HIS A 93 7.656 4.144 -10.804 1.00 0.00 H new ATOM 0 HE2 HIS A 93 5.593 2.815 -9.968 1.00 0.00 H new ATOM 1420 N GLU A 94 7.331 9.308 -6.047 1.00 0.00 N ATOM 1421 CA GLU A 94 7.374 10.678 -5.565 1.00 0.00 C ATOM 1422 C GLU A 94 6.436 11.561 -6.392 1.00 0.00 C ATOM 1423 O GLU A 94 6.264 11.339 -7.589 1.00 0.00 O ATOM 1424 CB GLU A 94 8.803 11.223 -5.589 1.00 0.00 C ATOM 1425 CG GLU A 94 9.273 11.593 -4.181 1.00 0.00 C ATOM 1426 CD GLU A 94 10.006 12.936 -4.182 1.00 0.00 C ATOM 1427 OE1 GLU A 94 10.973 13.053 -4.966 1.00 0.00 O ATOM 1428 OE2 GLU A 94 9.583 13.814 -3.400 1.00 0.00 O ATOM 0 H GLU A 94 8.244 8.871 -6.172 1.00 0.00 H new ATOM 0 HA GLU A 94 7.034 10.689 -4.530 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.473 10.477 -6.016 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.851 12.100 -6.234 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.416 11.643 -3.509 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.933 10.815 -3.798 1.00 0.00 H new ATOM 1435 N GLY A 95 5.855 12.544 -5.720 1.00 0.00 N ATOM 1436 CA GLY A 95 4.940 13.461 -6.377 1.00 0.00 C ATOM 1437 C GLY A 95 5.685 14.677 -6.930 1.00 0.00 C ATOM 1438 O GLY A 95 6.257 14.618 -8.017 1.00 0.00 O ATOM 0 H GLY A 95 6.000 12.725 -4.727 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.424 12.947 -7.188 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.177 13.788 -5.670 1.00 0.00 H new ATOM 1442 N SER A 96 5.654 15.752 -6.156 1.00 0.00 N ATOM 1443 CA SER A 96 6.320 16.981 -6.555 1.00 0.00 C ATOM 1444 C SER A 96 6.587 17.853 -5.327 1.00 0.00 C ATOM 1445 O SER A 96 5.756 17.930 -4.423 1.00 0.00 O ATOM 1446 CB SER A 96 5.487 17.750 -7.582 1.00 0.00 C ATOM 1447 OG SER A 96 6.279 18.664 -8.335 1.00 0.00 O ATOM 0 H SER A 96 5.178 15.798 -5.255 1.00 0.00 H new ATOM 0 HA SER A 96 7.270 16.720 -7.021 1.00 0.00 H new ATOM 0 HB2 SER A 96 5.005 17.045 -8.259 1.00 0.00 H new ATOM 0 HB3 SER A 96 4.693 18.294 -7.071 1.00 0.00 H new ATOM 0 HG SER A 96 5.711 19.134 -8.981 1.00 0.00 H new ATOM 1453 N GLY A 97 7.749 18.489 -5.334 1.00 0.00 N ATOM 1454 CA GLY A 97 8.136 19.354 -4.231 1.00 0.00 C ATOM 1455 C GLY A 97 8.151 20.821 -4.664 1.00 0.00 C ATOM 1456 O GLY A 97 9.114 21.282 -5.274 1.00 0.00 O ATOM 0 H GLY A 97 8.436 18.423 -6.086 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.442 19.223 -3.401 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.123 19.068 -3.869 1.00 0.00 H new ATOM 1460 N PRO A 98 7.043 21.532 -4.323 1.00 0.00 N ATOM 1461 CA PRO A 98 6.919 22.938 -4.670 1.00 0.00 C ATOM 1462 C PRO A 98 7.797 23.805 -3.765 1.00 0.00 C ATOM 1463 O PRO A 98 7.290 24.647 -3.025 1.00 0.00 O ATOM 1464 CB PRO A 98 5.438 23.248 -4.534 1.00 0.00 C ATOM 1465 CG PRO A 98 4.857 22.138 -3.674 1.00 0.00 C ATOM 1466 CD PRO A 98 5.883 21.019 -3.601 1.00 0.00 C ATOM 0 HA PRO A 98 7.266 23.154 -5.680 1.00 0.00 H new ATOM 0 HB2 PRO A 98 5.284 24.222 -4.070 1.00 0.00 H new ATOM 0 HB3 PRO A 98 4.954 23.279 -5.510 1.00 0.00 H new ATOM 0 HG2 PRO A 98 4.626 22.510 -2.676 1.00 0.00 H new ATOM 0 HG3 PRO A 98 3.923 21.773 -4.102 1.00 0.00 H new ATOM 0 HD2 PRO A 98 6.134 20.779 -2.568 1.00 0.00 H new ATOM 0 HD3 PRO A 98 5.505 20.105 -4.058 1.00 0.00 H new ATOM 1474 N SER A 99 9.098 23.568 -3.853 1.00 0.00 N ATOM 1475 CA SER A 99 10.050 24.317 -3.051 1.00 0.00 C ATOM 1476 C SER A 99 9.559 24.409 -1.605 1.00 0.00 C ATOM 1477 O SER A 99 8.791 25.306 -1.262 1.00 0.00 O ATOM 1478 CB SER A 99 10.273 25.718 -3.625 1.00 0.00 C ATOM 1479 OG SER A 99 10.768 25.674 -4.961 1.00 0.00 O ATOM 0 H SER A 99 9.515 22.868 -4.467 1.00 0.00 H new ATOM 0 HA SER A 99 11.003 23.789 -3.072 1.00 0.00 H new ATOM 0 HB2 SER A 99 9.335 26.272 -3.604 1.00 0.00 H new ATOM 0 HB3 SER A 99 10.978 26.260 -2.995 1.00 0.00 H new ATOM 0 HG SER A 99 10.896 26.587 -5.293 1.00 0.00 H new ATOM 1485 N SER A 100 10.023 23.468 -0.795 1.00 0.00 N ATOM 1486 CA SER A 100 9.641 23.431 0.606 1.00 0.00 C ATOM 1487 C SER A 100 10.757 24.023 1.469 1.00 0.00 C ATOM 1488 O SER A 100 11.727 23.339 1.790 1.00 0.00 O ATOM 1489 CB SER A 100 9.325 22.002 1.053 1.00 0.00 C ATOM 1490 OG SER A 100 8.182 21.949 1.902 1.00 0.00 O ATOM 0 H SER A 100 10.660 22.725 -1.083 1.00 0.00 H new ATOM 0 HA SER A 100 8.739 24.030 0.730 1.00 0.00 H new ATOM 0 HB2 SER A 100 9.155 21.377 0.176 1.00 0.00 H new ATOM 0 HB3 SER A 100 10.186 21.587 1.578 1.00 0.00 H new ATOM 0 HG SER A 100 8.012 21.020 2.164 1.00 0.00 H new ATOM 1496 N GLY A 101 10.582 25.289 1.819 1.00 0.00 N ATOM 1497 CA GLY A 101 11.563 25.981 2.638 1.00 0.00 C ATOM 1498 C GLY A 101 11.271 25.782 4.127 1.00 0.00 C ATOM 1499 O GLY A 101 10.136 25.953 4.569 1.00 0.00 O ATOM 0 H GLY A 101 9.776 25.853 1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 101 12.562 25.611 2.407 1.00 0.00 H new ATOM 0 HA3 GLY A 101 11.555 27.045 2.401 1.00 0.00 H new TER 1503 GLY A 101