USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 801 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 80 GLN : amide:sc= -1.59 K(o=-2.1,f=-5.2!) USER MOD Set 1.2: A 84 GLN : amide:sc= -0.466 X(o=-2.1,f=-2.2) USER MOD Set 2.1: A 46 GLN : amide:sc= -1.08 K(o=-1.5,f=-2.8!) USER MOD Set 2.2: A 48 LYS NZ :NH3+ -157:sc= -0.385 (180deg=-0.0185) USER MOD Set 3.1: A 26 CYS SG : rot -113:sc= -0.592! USER MOD Set 3.2: A 53 TYR OH : rot 90:sc= 0.17 USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0394 (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 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 15 LYS NZ :NH3+ 159:sc= -0.212 (180deg=-0.888) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 28 HIS : no HD1:sc= -2.5! K(o=-2.5!,f=-1.2) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -142:sc= -6.66! (180deg=-11.5!) USER MOD Single : A 37 CYS SG : rot 0:sc= -1.75 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 150:sc= -0.31 (180deg=-1.39!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot -33:sc= -0.403 USER MOD Single : A 52 HIS : no HE2:sc=-0.00649 K(o=-0.0065,f=-2.2!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0.0905 K(o=0.09,f=-3.5!) USER MOD Single : A 58 LYS NZ :NH3+ -140:sc= 0.158 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.29 X(o=-0.29,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 165:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -5.88! K(o=-5.9!,f=-1.9) USER MOD Single : A 78 GLN : amide:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -131:sc= -0.0493 (180deg=-0.239) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -1.12 K(o=-1.1,f=0) USER MOD Single : A 88 GLN : amide:sc= -0.0225 K(o=-0.023,f=-1.6!) USER MOD Single : A 90 GLN : amide:sc= -1.03 X(o=-1,f=-1.4) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -159:sc= -0.0464 (180deg=-0.365) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.694 2.444 -13.928 1.00 0.00 N ATOM 2 CA GLY A 1 12.083 3.666 -13.438 1.00 0.00 C ATOM 3 C GLY A 1 12.415 4.867 -14.301 1.00 0.00 C ATOM 4 O GLY A 1 12.746 4.722 -15.477 1.00 0.00 O ATOM 0 H1 GLY A 1 11.974 1.696 -13.990 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.100 2.613 -14.871 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.447 2.146 -13.275 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.001 3.538 -13.400 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.418 3.852 -12.418 1.00 0.00 H new ATOM 8 N SER A 2 12.326 6.057 -13.715 1.00 0.00 N ATOM 9 CA SER A 2 12.614 7.289 -14.440 1.00 0.00 C ATOM 10 C SER A 2 14.119 7.497 -14.580 1.00 0.00 C ATOM 11 O SER A 2 14.916 6.729 -14.041 1.00 0.00 O ATOM 12 CB SER A 2 11.987 8.486 -13.723 1.00 0.00 C ATOM 13 OG SER A 2 10.589 8.314 -13.569 1.00 0.00 O ATOM 0 H SER A 2 12.057 6.194 -12.741 1.00 0.00 H new ATOM 0 HA SER A 2 12.182 7.205 -15.437 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.451 8.612 -12.745 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.184 9.397 -14.289 1.00 0.00 H new ATOM 0 HG SER A 2 10.213 9.092 -13.107 1.00 0.00 H new ATOM 19 N SER A 3 14.500 8.541 -15.309 1.00 0.00 N ATOM 20 CA SER A 3 15.909 8.849 -15.525 1.00 0.00 C ATOM 21 C SER A 3 16.311 10.111 -14.767 1.00 0.00 C ATOM 22 O SER A 3 15.724 11.175 -14.955 1.00 0.00 O ATOM 23 CB SER A 3 16.192 9.025 -17.018 1.00 0.00 C ATOM 24 OG SER A 3 15.744 7.903 -17.758 1.00 0.00 O ATOM 0 H SER A 3 13.853 9.188 -15.760 1.00 0.00 H new ATOM 0 HA SER A 3 16.500 8.015 -15.147 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.697 9.925 -17.381 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.262 9.164 -17.175 1.00 0.00 H new ATOM 0 HG SER A 3 15.935 8.041 -18.709 1.00 0.00 H new ATOM 30 N GLY A 4 17.319 9.982 -13.908 1.00 0.00 N ATOM 31 CA GLY A 4 17.783 11.119 -13.135 1.00 0.00 C ATOM 32 C GLY A 4 16.740 11.618 -12.155 1.00 0.00 C ATOM 33 O GLY A 4 15.604 11.900 -12.537 1.00 0.00 O ATOM 0 H GLY A 4 17.821 9.111 -13.734 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.685 10.840 -12.590 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.057 11.928 -13.813 1.00 0.00 H new ATOM 37 N SER A 5 17.125 11.728 -10.887 1.00 0.00 N ATOM 38 CA SER A 5 16.213 12.192 -9.849 1.00 0.00 C ATOM 39 C SER A 5 16.708 13.497 -9.233 1.00 0.00 C ATOM 40 O SER A 5 17.903 13.667 -8.990 1.00 0.00 O ATOM 41 CB SER A 5 16.061 11.127 -8.761 1.00 0.00 C ATOM 42 OG SER A 5 17.298 10.879 -8.115 1.00 0.00 O ATOM 0 H SER A 5 18.062 11.502 -10.554 1.00 0.00 H new ATOM 0 HA SER A 5 15.242 12.374 -10.309 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.323 11.454 -8.028 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.685 10.203 -9.201 1.00 0.00 H new ATOM 0 HG SER A 5 17.175 10.196 -7.423 1.00 0.00 H new ATOM 48 N SER A 6 15.781 14.416 -8.984 1.00 0.00 N ATOM 49 CA SER A 6 16.123 15.708 -8.401 1.00 0.00 C ATOM 50 C SER A 6 15.353 15.939 -7.104 1.00 0.00 C ATOM 51 O SER A 6 14.515 15.128 -6.713 1.00 0.00 O ATOM 52 CB SER A 6 15.823 16.834 -9.393 1.00 0.00 C ATOM 53 OG SER A 6 14.427 17.044 -9.519 1.00 0.00 O ATOM 0 H SER A 6 14.787 14.290 -9.177 1.00 0.00 H new ATOM 0 HA SER A 6 17.189 15.707 -8.175 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.304 17.754 -9.060 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.246 16.587 -10.367 1.00 0.00 H new ATOM 0 HG SER A 6 14.262 17.769 -10.157 1.00 0.00 H new ATOM 59 N GLY A 7 15.646 17.053 -6.440 1.00 0.00 N ATOM 60 CA GLY A 7 14.974 17.372 -5.194 1.00 0.00 C ATOM 61 C GLY A 7 15.197 18.809 -4.767 1.00 0.00 C ATOM 62 O GLY A 7 16.276 19.163 -4.293 1.00 0.00 O ATOM 0 H GLY A 7 16.337 17.740 -6.743 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.905 17.191 -5.305 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.331 16.704 -4.411 1.00 0.00 H new ATOM 66 N MET A 8 14.174 19.641 -4.936 1.00 0.00 N ATOM 67 CA MET A 8 14.263 21.048 -4.564 1.00 0.00 C ATOM 68 C MET A 8 12.917 21.566 -4.069 1.00 0.00 C ATOM 69 O MET A 8 11.958 21.659 -4.835 1.00 0.00 O ATOM 70 CB MET A 8 14.738 21.883 -5.756 1.00 0.00 C ATOM 71 CG MET A 8 15.387 23.198 -5.356 1.00 0.00 C ATOM 72 SD MET A 8 16.283 23.971 -6.716 1.00 0.00 S ATOM 73 CE MET A 8 14.926 24.565 -7.722 1.00 0.00 C ATOM 0 H MET A 8 13.274 19.365 -5.328 1.00 0.00 H new ATOM 0 HA MET A 8 14.987 21.139 -3.754 1.00 0.00 H new ATOM 0 HB2 MET A 8 15.450 21.298 -6.338 1.00 0.00 H new ATOM 0 HB3 MET A 8 13.888 22.090 -6.406 1.00 0.00 H new ATOM 0 HG2 MET A 8 14.619 23.883 -4.996 1.00 0.00 H new ATOM 0 HG3 MET A 8 16.073 23.023 -4.527 1.00 0.00 H new ATOM 0 HE1 MET A 8 15.321 25.069 -8.604 1.00 0.00 H new ATOM 0 HE2 MET A 8 14.307 23.723 -8.031 1.00 0.00 H new ATOM 0 HE3 MET A 8 14.324 25.265 -7.143 1.00 0.00 H new ATOM 83 N ALA A 9 12.853 21.903 -2.785 1.00 0.00 N ATOM 84 CA ALA A 9 11.625 22.414 -2.190 1.00 0.00 C ATOM 85 C ALA A 9 11.897 23.052 -0.832 1.00 0.00 C ATOM 86 O ALA A 9 12.814 22.662 -0.109 1.00 0.00 O ATOM 87 CB ALA A 9 10.600 21.297 -2.054 1.00 0.00 C ATOM 0 H ALA A 9 13.638 21.831 -2.137 1.00 0.00 H new ATOM 0 HA ALA A 9 11.224 23.183 -2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.688 21.693 -1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 9 10.375 20.888 -3.039 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.003 20.509 -1.417 1.00 0.00 H new ATOM 93 N PRO A 10 11.084 24.057 -0.475 1.00 0.00 N ATOM 94 CA PRO A 10 11.218 24.770 0.798 1.00 0.00 C ATOM 95 C PRO A 10 10.831 23.904 1.992 1.00 0.00 C ATOM 96 O PRO A 10 10.263 22.823 1.830 1.00 0.00 O ATOM 97 CB PRO A 10 10.245 25.943 0.652 1.00 0.00 C ATOM 98 CG PRO A 10 9.233 25.475 -0.336 1.00 0.00 C ATOM 99 CD PRO A 10 9.969 24.573 -1.288 1.00 0.00 C ATOM 0 HA PRO A 10 12.248 25.073 0.988 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.781 26.193 1.606 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.756 26.840 0.301 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.422 24.941 0.159 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.785 26.317 -0.864 1.00 0.00 H new ATOM 0 HD2 PRO A 10 9.331 23.768 -1.653 1.00 0.00 H new ATOM 0 HD3 PRO A 10 10.327 25.117 -2.162 1.00 0.00 H new ATOM 107 N LYS A 11 11.142 24.384 3.191 1.00 0.00 N ATOM 108 CA LYS A 11 10.826 23.654 4.413 1.00 0.00 C ATOM 109 C LYS A 11 9.392 23.929 4.856 1.00 0.00 C ATOM 110 O LYS A 11 9.123 24.102 6.044 1.00 0.00 O ATOM 111 CB LYS A 11 11.799 24.042 5.529 1.00 0.00 C ATOM 112 CG LYS A 11 13.146 23.348 5.430 1.00 0.00 C ATOM 113 CD LYS A 11 13.098 21.949 6.021 1.00 0.00 C ATOM 114 CE LYS A 11 14.462 21.278 5.978 1.00 0.00 C ATOM 115 NZ LYS A 11 14.352 19.793 6.014 1.00 0.00 N ATOM 0 H LYS A 11 11.613 25.276 3.343 1.00 0.00 H new ATOM 0 HA LYS A 11 10.926 22.588 4.206 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.953 25.121 5.506 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.347 23.805 6.492 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.451 23.292 4.385 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.900 23.938 5.951 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.749 22.001 7.052 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.377 21.345 5.470 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.987 21.581 5.072 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.061 21.618 6.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.303 19.374 5.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.873 19.501 6.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.802 19.466 5.194 1.00 0.00 H new ATOM 129 N GLN A 12 8.477 23.967 3.893 1.00 0.00 N ATOM 130 CA GLN A 12 7.071 24.220 4.185 1.00 0.00 C ATOM 131 C GLN A 12 6.237 22.961 3.976 1.00 0.00 C ATOM 132 O GLN A 12 5.083 22.891 4.402 1.00 0.00 O ATOM 133 CB GLN A 12 6.541 25.350 3.301 1.00 0.00 C ATOM 134 CG GLN A 12 5.418 26.149 3.944 1.00 0.00 C ATOM 135 CD GLN A 12 4.592 26.915 2.929 1.00 0.00 C ATOM 136 OE1 GLN A 12 5.009 27.101 1.786 1.00 0.00 O ATOM 137 NE2 GLN A 12 3.413 27.363 3.343 1.00 0.00 N ATOM 0 H GLN A 12 8.684 23.826 2.904 1.00 0.00 H new ATOM 0 HA GLN A 12 6.990 24.518 5.230 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.362 26.024 3.056 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.184 24.928 2.361 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.768 25.473 4.500 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.841 26.849 4.665 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.107 27.186 4.300 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.813 27.885 2.704 1.00 0.00 H new ATOM 146 N ASP A 13 6.826 21.968 3.320 1.00 0.00 N ATOM 147 CA ASP A 13 6.137 20.710 3.055 1.00 0.00 C ATOM 148 C ASP A 13 7.090 19.528 3.200 1.00 0.00 C ATOM 149 O ASP A 13 8.272 19.606 2.863 1.00 0.00 O ATOM 150 CB ASP A 13 5.529 20.723 1.652 1.00 0.00 C ATOM 151 CG ASP A 13 4.438 21.765 1.503 1.00 0.00 C ATOM 152 OD1 ASP A 13 3.764 22.067 2.510 1.00 0.00 O ATOM 153 OD2 ASP A 13 4.258 22.278 0.379 1.00 0.00 O ATOM 0 H ASP A 13 7.780 22.009 2.961 1.00 0.00 H new ATOM 0 HA ASP A 13 5.337 20.600 3.787 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.314 20.916 0.921 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.120 19.738 1.428 1.00 0.00 H new ATOM 158 N PRO A 14 6.567 18.405 3.714 1.00 0.00 N ATOM 159 CA PRO A 14 7.353 17.185 3.916 1.00 0.00 C ATOM 160 C PRO A 14 7.738 16.519 2.599 1.00 0.00 C ATOM 161 O PRO A 14 7.198 16.850 1.543 1.00 0.00 O ATOM 162 CB PRO A 14 6.410 16.283 4.716 1.00 0.00 C ATOM 163 CG PRO A 14 5.043 16.759 4.366 1.00 0.00 C ATOM 164 CD PRO A 14 5.166 18.240 4.138 1.00 0.00 C ATOM 0 HA PRO A 14 8.299 17.388 4.419 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.544 15.235 4.450 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.596 16.366 5.787 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.671 16.256 3.473 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.338 16.545 5.169 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.471 18.588 3.374 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.951 18.805 5.045 1.00 0.00 H new ATOM 172 N LYS A 15 8.674 15.578 2.669 1.00 0.00 N ATOM 173 CA LYS A 15 9.130 14.863 1.483 1.00 0.00 C ATOM 174 C LYS A 15 8.875 13.366 1.618 1.00 0.00 C ATOM 175 O LYS A 15 9.236 12.738 2.613 1.00 0.00 O ATOM 176 CB LYS A 15 10.621 15.118 1.251 1.00 0.00 C ATOM 177 CG LYS A 15 11.241 14.201 0.210 1.00 0.00 C ATOM 178 CD LYS A 15 11.814 12.945 0.845 1.00 0.00 C ATOM 179 CE LYS A 15 13.270 13.135 1.239 1.00 0.00 C ATOM 180 NZ LYS A 15 13.404 13.812 2.559 1.00 0.00 N ATOM 0 H LYS A 15 9.131 15.293 3.535 1.00 0.00 H new ATOM 0 HA LYS A 15 8.566 15.234 0.627 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.760 16.153 0.940 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.153 14.995 2.194 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.488 13.926 -0.528 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.030 14.733 -0.322 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.229 12.682 1.726 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.731 12.112 0.147 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.766 12.165 1.277 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.779 13.724 0.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.344 13.614 2.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.290 14.838 2.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.672 13.457 3.207 1.00 0.00 H new ATOM 194 N PRO A 16 8.239 12.778 0.593 1.00 0.00 N ATOM 195 CA PRO A 16 7.923 11.347 0.574 1.00 0.00 C ATOM 196 C PRO A 16 9.169 10.480 0.426 1.00 0.00 C ATOM 197 O PRO A 16 10.068 10.795 -0.354 1.00 0.00 O ATOM 198 CB PRO A 16 7.020 11.199 -0.653 1.00 0.00 C ATOM 199 CG PRO A 16 7.397 12.335 -1.540 1.00 0.00 C ATOM 200 CD PRO A 16 7.780 13.466 -0.625 1.00 0.00 C ATOM 0 HA PRO A 16 7.458 11.020 1.504 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.178 10.241 -1.148 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.966 11.245 -0.377 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.227 12.062 -2.192 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.565 12.619 -2.185 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.566 14.084 -1.058 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.934 14.122 -0.421 1.00 0.00 H new ATOM 208 N LYS A 17 9.216 9.386 1.178 1.00 0.00 N ATOM 209 CA LYS A 17 10.351 8.472 1.130 1.00 0.00 C ATOM 210 C LYS A 17 10.215 7.497 -0.035 1.00 0.00 C ATOM 211 O LYS A 17 11.178 7.240 -0.758 1.00 0.00 O ATOM 212 CB LYS A 17 10.466 7.699 2.445 1.00 0.00 C ATOM 213 CG LYS A 17 10.843 8.569 3.632 1.00 0.00 C ATOM 214 CD LYS A 17 10.907 7.761 4.917 1.00 0.00 C ATOM 215 CE LYS A 17 11.922 8.343 5.890 1.00 0.00 C ATOM 216 NZ LYS A 17 11.620 7.963 7.298 1.00 0.00 N ATOM 0 H LYS A 17 8.480 9.110 1.829 1.00 0.00 H new ATOM 0 HA LYS A 17 11.255 9.063 0.983 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.515 7.208 2.653 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.212 6.913 2.330 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.809 9.039 3.448 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.114 9.372 3.742 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.923 7.741 5.385 1.00 0.00 H new ATOM 0 HD3 LYS A 17 11.172 6.729 4.687 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.920 7.994 5.626 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.930 9.429 5.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 12.334 8.378 7.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.678 8.318 7.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.638 6.927 7.389 1.00 0.00 H new ATOM 230 N PHE A 18 9.013 6.958 -0.212 1.00 0.00 N ATOM 231 CA PHE A 18 8.751 6.012 -1.290 1.00 0.00 C ATOM 232 C PHE A 18 8.457 6.743 -2.597 1.00 0.00 C ATOM 233 O PHE A 18 7.997 7.885 -2.590 1.00 0.00 O ATOM 234 CB PHE A 18 7.575 5.103 -0.925 1.00 0.00 C ATOM 235 CG PHE A 18 7.715 4.454 0.422 1.00 0.00 C ATOM 236 CD1 PHE A 18 7.313 5.116 1.570 1.00 0.00 C ATOM 237 CD2 PHE A 18 8.249 3.181 0.540 1.00 0.00 C ATOM 238 CE1 PHE A 18 7.441 4.521 2.811 1.00 0.00 C ATOM 239 CE2 PHE A 18 8.380 2.580 1.778 1.00 0.00 C ATOM 240 CZ PHE A 18 7.974 3.251 2.915 1.00 0.00 C ATOM 0 H PHE A 18 8.205 7.160 0.377 1.00 0.00 H new ATOM 0 HA PHE A 18 9.644 5.402 -1.429 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.655 5.687 -0.944 1.00 0.00 H new ATOM 0 HB3 PHE A 18 7.476 4.328 -1.685 1.00 0.00 H new ATOM 0 HD1 PHE A 18 6.895 6.109 1.495 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.567 2.652 -0.346 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.125 5.049 3.699 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.799 1.588 1.856 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.073 2.784 3.884 1.00 0.00 H new ATOM 250 N GLN A 19 8.726 6.077 -3.715 1.00 0.00 N ATOM 251 CA GLN A 19 8.491 6.664 -5.029 1.00 0.00 C ATOM 252 C GLN A 19 7.405 5.901 -5.780 1.00 0.00 C ATOM 253 O GLN A 19 7.103 4.753 -5.455 1.00 0.00 O ATOM 254 CB GLN A 19 9.784 6.671 -5.846 1.00 0.00 C ATOM 255 CG GLN A 19 10.224 5.288 -6.300 1.00 0.00 C ATOM 256 CD GLN A 19 11.557 5.308 -7.021 1.00 0.00 C ATOM 257 OE1 GLN A 19 12.350 6.236 -6.859 1.00 0.00 O ATOM 258 NE2 GLN A 19 11.812 4.280 -7.823 1.00 0.00 N ATOM 0 H GLN A 19 9.107 5.131 -3.737 1.00 0.00 H new ATOM 0 HA GLN A 19 8.155 7.691 -4.886 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.647 7.305 -6.722 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.579 7.118 -5.249 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.294 4.630 -5.434 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.465 4.867 -6.959 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.126 3.532 -7.928 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.694 4.238 -8.334 1.00 0.00 H new ATOM 267 N GLU A 20 6.822 6.547 -6.785 1.00 0.00 N ATOM 268 CA GLU A 20 5.768 5.928 -7.580 1.00 0.00 C ATOM 269 C GLU A 20 6.336 4.834 -8.479 1.00 0.00 C ATOM 270 O GLU A 20 7.140 5.103 -9.371 1.00 0.00 O ATOM 271 CB GLU A 20 5.054 6.982 -8.430 1.00 0.00 C ATOM 272 CG GLU A 20 4.315 8.026 -7.610 1.00 0.00 C ATOM 273 CD GLU A 20 4.249 9.373 -8.303 1.00 0.00 C ATOM 274 OE1 GLU A 20 4.068 9.398 -9.538 1.00 0.00 O ATOM 275 OE2 GLU A 20 4.380 10.404 -7.609 1.00 0.00 O ATOM 0 H GLU A 20 7.061 7.497 -7.068 1.00 0.00 H new ATOM 0 HA GLU A 20 5.050 5.476 -6.896 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.786 7.482 -9.064 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.346 6.484 -9.092 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.303 7.675 -7.409 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.809 8.142 -6.646 1.00 0.00 H new ATOM 282 N GLY A 21 5.912 3.597 -8.237 1.00 0.00 N ATOM 283 CA GLY A 21 6.389 2.481 -9.031 1.00 0.00 C ATOM 284 C GLY A 21 7.118 1.445 -8.198 1.00 0.00 C ATOM 285 O GLY A 21 7.164 0.270 -8.559 1.00 0.00 O ATOM 0 H GLY A 21 5.247 3.349 -7.505 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.544 2.010 -9.533 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.056 2.852 -9.809 1.00 0.00 H new ATOM 289 N GLU A 22 7.689 1.883 -7.080 1.00 0.00 N ATOM 290 CA GLU A 22 8.421 0.985 -6.195 1.00 0.00 C ATOM 291 C GLU A 22 7.463 0.095 -5.409 1.00 0.00 C ATOM 292 O GLU A 22 6.447 0.562 -4.894 1.00 0.00 O ATOM 293 CB GLU A 22 9.298 1.786 -5.230 1.00 0.00 C ATOM 294 CG GLU A 22 9.881 0.952 -4.102 1.00 0.00 C ATOM 295 CD GLU A 22 11.183 1.519 -3.570 1.00 0.00 C ATOM 296 OE1 GLU A 22 11.280 2.757 -3.438 1.00 0.00 O ATOM 297 OE2 GLU A 22 12.105 0.726 -3.286 1.00 0.00 O ATOM 0 H GLU A 22 7.659 2.853 -6.766 1.00 0.00 H new ATOM 0 HA GLU A 22 9.058 0.350 -6.811 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.113 2.246 -5.789 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.707 2.597 -4.803 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.157 0.890 -3.289 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.050 -0.065 -4.457 1.00 0.00 H new ATOM 304 N ARG A 23 7.793 -1.190 -5.322 1.00 0.00 N ATOM 305 CA ARG A 23 6.962 -2.146 -4.602 1.00 0.00 C ATOM 306 C ARG A 23 6.924 -1.819 -3.112 1.00 0.00 C ATOM 307 O ARG A 23 7.953 -1.523 -2.504 1.00 0.00 O ATOM 308 CB ARG A 23 7.485 -3.568 -4.810 1.00 0.00 C ATOM 309 CG ARG A 23 6.715 -4.621 -4.030 1.00 0.00 C ATOM 310 CD ARG A 23 5.425 -5.006 -4.738 1.00 0.00 C ATOM 311 NE ARG A 23 5.625 -6.102 -5.682 1.00 0.00 N ATOM 312 CZ ARG A 23 4.717 -6.477 -6.576 1.00 0.00 C ATOM 313 NH1 ARG A 23 3.553 -5.846 -6.647 1.00 0.00 N ATOM 314 NH2 ARG A 23 4.973 -7.484 -7.401 1.00 0.00 N ATOM 0 H ARG A 23 8.631 -1.592 -5.742 1.00 0.00 H new ATOM 0 HA ARG A 23 5.949 -2.078 -4.997 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.441 -3.810 -5.872 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.534 -3.606 -4.517 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.338 -5.506 -3.899 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.486 -4.242 -3.034 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.678 -5.296 -3.999 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.029 -4.139 -5.267 1.00 0.00 H new ATOM 0 HE ARG A 23 6.511 -6.607 -5.653 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.354 -5.071 -6.014 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.857 -6.135 -7.334 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.868 -7.971 -7.349 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.275 -7.771 -8.087 1.00 0.00 H new ATOM 328 N VAL A 24 5.731 -1.874 -2.529 1.00 0.00 N ATOM 329 CA VAL A 24 5.559 -1.584 -1.110 1.00 0.00 C ATOM 330 C VAL A 24 4.438 -2.425 -0.509 1.00 0.00 C ATOM 331 O VAL A 24 3.702 -3.102 -1.228 1.00 0.00 O ATOM 332 CB VAL A 24 5.250 -0.094 -0.875 1.00 0.00 C ATOM 333 CG1 VAL A 24 6.475 0.759 -1.170 1.00 0.00 C ATOM 334 CG2 VAL A 24 4.068 0.346 -1.725 1.00 0.00 C ATOM 0 H VAL A 24 4.869 -2.117 -3.017 1.00 0.00 H new ATOM 0 HA VAL A 24 6.500 -1.834 -0.620 1.00 0.00 H new ATOM 0 HB VAL A 24 4.985 0.042 0.174 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.237 1.809 -0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.293 0.460 -0.514 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.774 0.620 -2.209 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.864 1.402 -1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.302 0.195 -2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.190 -0.243 -1.460 1.00 0.00 H new ATOM 344 N LEU A 25 4.313 -2.377 0.812 1.00 0.00 N ATOM 345 CA LEU A 25 3.281 -3.135 1.511 1.00 0.00 C ATOM 346 C LEU A 25 2.309 -2.200 2.224 1.00 0.00 C ATOM 347 O LEU A 25 2.711 -1.389 3.058 1.00 0.00 O ATOM 348 CB LEU A 25 3.918 -4.092 2.520 1.00 0.00 C ATOM 349 CG LEU A 25 4.695 -5.269 1.929 1.00 0.00 C ATOM 350 CD1 LEU A 25 5.636 -5.862 2.967 1.00 0.00 C ATOM 351 CD2 LEU A 25 3.739 -6.331 1.406 1.00 0.00 C ATOM 0 H LEU A 25 4.913 -1.821 1.421 1.00 0.00 H new ATOM 0 HA LEU A 25 2.726 -3.713 0.772 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.593 -3.520 3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.131 -4.488 3.162 1.00 0.00 H new ATOM 0 HG LEU A 25 5.292 -4.903 1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.181 -6.698 2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.343 -5.100 3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.059 -6.213 3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.310 -7.161 0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.116 -6.694 2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.106 -5.900 0.630 1.00 0.00 H new ATOM 363 N CYS A 26 1.028 -2.322 1.891 1.00 0.00 N ATOM 364 CA CYS A 26 -0.002 -1.489 2.501 1.00 0.00 C ATOM 365 C CYS A 26 -0.715 -2.239 3.621 1.00 0.00 C ATOM 366 O CYS A 26 -1.054 -3.414 3.479 1.00 0.00 O ATOM 367 CB CYS A 26 -1.015 -1.041 1.446 1.00 0.00 C ATOM 368 SG CYS A 26 -2.623 -0.565 2.122 1.00 0.00 S ATOM 0 H CYS A 26 0.679 -2.989 1.203 1.00 0.00 H new ATOM 0 HA CYS A 26 0.481 -0.610 2.927 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.600 -0.197 0.895 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.159 -1.850 0.730 1.00 0.00 H new ATOM 0 HG CYS A 26 -3.527 -1.412 1.729 1.00 0.00 H new ATOM 374 N PHE A 27 -0.938 -1.552 4.737 1.00 0.00 N ATOM 375 CA PHE A 27 -1.608 -2.153 5.884 1.00 0.00 C ATOM 376 C PHE A 27 -3.123 -2.114 5.711 1.00 0.00 C ATOM 377 O PHE A 27 -3.741 -1.051 5.792 1.00 0.00 O ATOM 378 CB PHE A 27 -1.211 -1.428 7.172 1.00 0.00 C ATOM 379 CG PHE A 27 0.012 -2.000 7.829 1.00 0.00 C ATOM 380 CD1 PHE A 27 -0.059 -3.184 8.545 1.00 0.00 C ATOM 381 CD2 PHE A 27 1.234 -1.354 7.732 1.00 0.00 C ATOM 382 CE1 PHE A 27 1.065 -3.714 9.151 1.00 0.00 C ATOM 383 CE2 PHE A 27 2.361 -1.879 8.335 1.00 0.00 C ATOM 384 CZ PHE A 27 2.276 -3.059 9.047 1.00 0.00 C ATOM 0 H PHE A 27 -0.664 -0.579 4.871 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.295 -3.195 5.951 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.035 -0.376 6.948 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.044 -1.469 7.874 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.004 -3.699 8.631 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.306 -0.429 7.179 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.996 -4.639 9.705 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.308 -1.367 8.249 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.155 -3.469 9.522 1.00 0.00 H new ATOM 394 N HIS A 28 -3.717 -3.279 5.472 1.00 0.00 N ATOM 395 CA HIS A 28 -5.160 -3.379 5.288 1.00 0.00 C ATOM 396 C HIS A 28 -5.813 -4.076 6.477 1.00 0.00 C ATOM 397 O HIS A 28 -6.847 -4.728 6.336 1.00 0.00 O ATOM 398 CB HIS A 28 -5.480 -4.136 3.999 1.00 0.00 C ATOM 399 CG HIS A 28 -6.945 -4.214 3.697 1.00 0.00 C ATOM 400 ND1 HIS A 28 -7.727 -3.101 3.474 1.00 0.00 N ATOM 401 CD2 HIS A 28 -7.769 -5.281 3.581 1.00 0.00 C ATOM 402 CE1 HIS A 28 -8.970 -3.479 3.235 1.00 0.00 C ATOM 403 NE2 HIS A 28 -9.022 -4.798 3.294 1.00 0.00 N ATOM 0 H HIS A 28 -3.221 -4.167 5.401 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.563 -2.369 5.216 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.971 -3.650 3.166 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -5.078 -5.147 4.072 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.493 -6.319 3.693 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -9.802 -2.822 3.027 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.857 -5.365 3.150 1.00 0.00 H new ATOM 412 N GLY A 29 -5.201 -3.934 7.650 1.00 0.00 N ATOM 413 CA GLY A 29 -5.737 -4.557 8.846 1.00 0.00 C ATOM 414 C GLY A 29 -4.741 -5.486 9.512 1.00 0.00 C ATOM 415 O GLY A 29 -3.535 -5.236 9.518 1.00 0.00 O ATOM 0 H GLY A 29 -4.344 -3.399 7.792 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.036 -3.783 9.553 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.636 -5.117 8.588 1.00 0.00 H new ATOM 419 N PRO A 30 -5.246 -6.585 10.091 1.00 0.00 N ATOM 420 CA PRO A 30 -4.409 -7.575 10.775 1.00 0.00 C ATOM 421 C PRO A 30 -3.539 -8.367 9.805 1.00 0.00 C ATOM 422 O PRO A 30 -2.826 -9.289 10.205 1.00 0.00 O ATOM 423 CB PRO A 30 -5.429 -8.495 11.451 1.00 0.00 C ATOM 424 CG PRO A 30 -6.664 -8.362 10.628 1.00 0.00 C ATOM 425 CD PRO A 30 -6.673 -6.946 10.122 1.00 0.00 C ATOM 0 HA PRO A 30 -3.710 -7.108 11.469 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.078 -9.527 11.474 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.608 -8.196 12.484 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.660 -9.072 9.801 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.554 -8.570 11.223 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.127 -6.876 9.133 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.240 -6.288 10.780 1.00 0.00 H new ATOM 433 N LEU A 31 -3.600 -8.002 8.529 1.00 0.00 N ATOM 434 CA LEU A 31 -2.816 -8.679 7.502 1.00 0.00 C ATOM 435 C LEU A 31 -2.352 -7.693 6.434 1.00 0.00 C ATOM 436 O LEU A 31 -3.048 -6.727 6.121 1.00 0.00 O ATOM 437 CB LEU A 31 -3.639 -9.796 6.857 1.00 0.00 C ATOM 438 CG LEU A 31 -4.126 -10.899 7.798 1.00 0.00 C ATOM 439 CD1 LEU A 31 -5.435 -11.488 7.297 1.00 0.00 C ATOM 440 CD2 LEU A 31 -3.069 -11.985 7.938 1.00 0.00 C ATOM 0 H LEU A 31 -4.184 -7.241 8.181 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.937 -9.113 7.978 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.508 -9.348 6.374 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.039 -10.255 6.071 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.301 -10.461 8.781 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.766 -12.271 7.979 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.192 -10.705 7.249 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.287 -11.911 6.303 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.432 -12.762 8.611 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.862 -12.420 6.960 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.154 -11.552 8.343 1.00 0.00 H new ATOM 452 N LEU A 32 -1.172 -7.945 5.877 1.00 0.00 N ATOM 453 CA LEU A 32 -0.615 -7.081 4.842 1.00 0.00 C ATOM 454 C LEU A 32 -0.912 -7.635 3.452 1.00 0.00 C ATOM 455 O LEU A 32 -1.152 -8.832 3.288 1.00 0.00 O ATOM 456 CB LEU A 32 0.895 -6.933 5.032 1.00 0.00 C ATOM 457 CG LEU A 32 1.344 -5.869 6.035 1.00 0.00 C ATOM 458 CD1 LEU A 32 2.781 -6.116 6.468 1.00 0.00 C ATOM 459 CD2 LEU A 32 1.197 -4.477 5.438 1.00 0.00 C ATOM 0 H LEU A 32 -0.583 -8.740 6.125 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.084 -6.101 4.930 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.297 -7.895 5.349 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.342 -6.704 4.065 1.00 0.00 H new ATOM 0 HG LEU A 32 0.704 -5.934 6.915 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.083 -5.349 7.181 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.856 -7.097 6.936 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.435 -6.079 5.597 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.521 -3.733 6.166 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.811 -4.399 4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.153 -4.301 5.179 1.00 0.00 H new ATOM 471 N TYR A 33 -0.891 -6.759 2.455 1.00 0.00 N ATOM 472 CA TYR A 33 -1.159 -7.160 1.079 1.00 0.00 C ATOM 473 C TYR A 33 -0.179 -6.494 0.117 1.00 0.00 C ATOM 474 O TYR A 33 0.298 -5.388 0.368 1.00 0.00 O ATOM 475 CB TYR A 33 -2.594 -6.803 0.690 1.00 0.00 C ATOM 476 CG TYR A 33 -3.638 -7.431 1.587 1.00 0.00 C ATOM 477 CD1 TYR A 33 -3.709 -7.106 2.936 1.00 0.00 C ATOM 478 CD2 TYR A 33 -4.553 -8.347 1.084 1.00 0.00 C ATOM 479 CE1 TYR A 33 -4.660 -7.678 3.759 1.00 0.00 C ATOM 480 CE2 TYR A 33 -5.509 -8.922 1.899 1.00 0.00 C ATOM 481 CZ TYR A 33 -5.558 -8.585 3.236 1.00 0.00 C ATOM 482 OH TYR A 33 -6.508 -9.155 4.052 1.00 0.00 O ATOM 0 H TYR A 33 -0.691 -5.766 2.573 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.030 -8.240 1.012 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.710 -5.719 0.715 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.772 -7.119 -0.338 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.009 -6.394 3.348 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.517 -8.614 0.038 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.700 -7.416 4.806 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.214 -9.631 1.492 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.062 -9.770 3.528 1.00 0.00 H new ATOM 492 N GLU A 34 0.114 -7.176 -0.986 1.00 0.00 N ATOM 493 CA GLU A 34 1.036 -6.651 -1.985 1.00 0.00 C ATOM 494 C GLU A 34 0.421 -5.467 -2.725 1.00 0.00 C ATOM 495 O GLU A 34 -0.772 -5.463 -3.028 1.00 0.00 O ATOM 496 CB GLU A 34 1.420 -7.746 -2.983 1.00 0.00 C ATOM 497 CG GLU A 34 2.578 -7.366 -3.889 1.00 0.00 C ATOM 498 CD GLU A 34 2.912 -8.449 -4.896 1.00 0.00 C ATOM 499 OE1 GLU A 34 1.975 -9.116 -5.384 1.00 0.00 O ATOM 500 OE2 GLU A 34 4.111 -8.630 -5.197 1.00 0.00 O ATOM 0 H GLU A 34 -0.274 -8.093 -1.210 1.00 0.00 H new ATOM 0 HA GLU A 34 1.933 -6.309 -1.469 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.681 -8.651 -2.434 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.552 -7.986 -3.598 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.333 -6.446 -4.419 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.458 -7.158 -3.280 1.00 0.00 H new ATOM 507 N ALA A 35 1.243 -4.463 -3.012 1.00 0.00 N ATOM 508 CA ALA A 35 0.781 -3.274 -3.717 1.00 0.00 C ATOM 509 C ALA A 35 1.954 -2.481 -4.283 1.00 0.00 C ATOM 510 O ALA A 35 3.112 -2.871 -4.131 1.00 0.00 O ATOM 511 CB ALA A 35 -0.051 -2.401 -2.789 1.00 0.00 C ATOM 0 H ALA A 35 2.233 -4.450 -2.767 1.00 0.00 H new ATOM 0 HA ALA A 35 0.158 -3.595 -4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.390 -1.516 -3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.915 -2.964 -2.437 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.555 -2.096 -1.936 1.00 0.00 H new ATOM 517 N LYS A 36 1.647 -1.366 -4.938 1.00 0.00 N ATOM 518 CA LYS A 36 2.675 -0.517 -5.528 1.00 0.00 C ATOM 519 C LYS A 36 2.239 0.945 -5.529 1.00 0.00 C ATOM 520 O LYS A 36 1.057 1.249 -5.696 1.00 0.00 O ATOM 521 CB LYS A 36 2.982 -0.970 -6.957 1.00 0.00 C ATOM 522 CG LYS A 36 3.947 -0.054 -7.691 1.00 0.00 C ATOM 523 CD LYS A 36 3.658 -0.020 -9.182 1.00 0.00 C ATOM 524 CE LYS A 36 2.536 0.953 -9.510 1.00 0.00 C ATOM 525 NZ LYS A 36 1.194 0.330 -9.341 1.00 0.00 N ATOM 0 H LYS A 36 0.694 -1.029 -5.074 1.00 0.00 H new ATOM 0 HA LYS A 36 3.577 -0.608 -4.923 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.400 -1.976 -6.928 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.050 -1.028 -7.519 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.875 0.954 -7.282 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.970 -0.393 -7.525 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.560 0.268 -9.722 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.387 -1.019 -9.524 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.614 1.828 -8.865 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.647 1.303 -10.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.558 0.666 -10.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.282 -0.705 -9.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.804 0.593 -8.414 1.00 0.00 H new ATOM 539 N CYS A 37 3.198 1.844 -5.343 1.00 0.00 N ATOM 540 CA CYS A 37 2.913 3.274 -5.323 1.00 0.00 C ATOM 541 C CYS A 37 2.630 3.791 -6.730 1.00 0.00 C ATOM 542 O CYS A 37 3.543 3.948 -7.540 1.00 0.00 O ATOM 543 CB CYS A 37 4.085 4.041 -4.711 1.00 0.00 C ATOM 544 SG CYS A 37 3.739 5.787 -4.391 1.00 0.00 S ATOM 0 H CYS A 37 4.181 1.608 -5.204 1.00 0.00 H new ATOM 0 HA CYS A 37 2.025 3.434 -4.711 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.370 3.561 -3.775 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.942 3.968 -5.381 1.00 0.00 H new ATOM 0 HG CYS A 37 2.519 6.060 -4.748 1.00 0.00 H new ATOM 550 N VAL A 38 1.358 4.054 -7.013 1.00 0.00 N ATOM 551 CA VAL A 38 0.954 4.553 -8.322 1.00 0.00 C ATOM 552 C VAL A 38 0.901 6.077 -8.337 1.00 0.00 C ATOM 553 O VAL A 38 0.888 6.699 -9.399 1.00 0.00 O ATOM 554 CB VAL A 38 -0.423 3.998 -8.734 1.00 0.00 C ATOM 555 CG1 VAL A 38 -0.263 2.724 -9.549 1.00 0.00 C ATOM 556 CG2 VAL A 38 -1.286 3.751 -7.507 1.00 0.00 C ATOM 0 H VAL A 38 0.590 3.930 -6.353 1.00 0.00 H new ATOM 0 HA VAL A 38 1.703 4.211 -9.036 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.923 4.739 -9.358 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.246 2.347 -9.831 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.315 2.937 -10.448 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.256 1.974 -8.953 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.255 3.359 -7.817 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.794 3.029 -6.855 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.429 4.688 -6.968 1.00 0.00 H new ATOM 566 N LYS A 39 0.870 6.674 -7.150 1.00 0.00 N ATOM 567 CA LYS A 39 0.820 8.125 -7.025 1.00 0.00 C ATOM 568 C LYS A 39 1.297 8.569 -5.645 1.00 0.00 C ATOM 569 O LYS A 39 1.297 7.785 -4.696 1.00 0.00 O ATOM 570 CB LYS A 39 -0.604 8.630 -7.270 1.00 0.00 C ATOM 571 CG LYS A 39 -1.121 8.337 -8.668 1.00 0.00 C ATOM 572 CD LYS A 39 -2.490 8.956 -8.897 1.00 0.00 C ATOM 573 CE LYS A 39 -3.313 8.138 -9.880 1.00 0.00 C ATOM 574 NZ LYS A 39 -4.699 8.666 -10.016 1.00 0.00 N ATOM 0 H LYS A 39 0.879 6.174 -6.261 1.00 0.00 H new ATOM 0 HA LYS A 39 1.485 8.552 -7.775 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.273 8.173 -6.541 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.633 9.706 -7.099 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.418 8.724 -9.406 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.179 7.259 -8.817 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.021 9.029 -7.948 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.373 9.972 -9.275 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.825 8.143 -10.855 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.350 7.101 -9.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.228 8.082 -10.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.174 8.638 -9.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.665 9.648 -10.358 1.00 0.00 H new ATOM 588 N VAL A 40 1.701 9.831 -5.541 1.00 0.00 N ATOM 589 CA VAL A 40 2.179 10.379 -4.278 1.00 0.00 C ATOM 590 C VAL A 40 1.593 11.763 -4.023 1.00 0.00 C ATOM 591 O VAL A 40 1.643 12.638 -4.887 1.00 0.00 O ATOM 592 CB VAL A 40 3.716 10.471 -4.250 1.00 0.00 C ATOM 593 CG1 VAL A 40 4.191 11.079 -2.939 1.00 0.00 C ATOM 594 CG2 VAL A 40 4.335 9.099 -4.468 1.00 0.00 C ATOM 0 H VAL A 40 1.707 10.493 -6.317 1.00 0.00 H new ATOM 0 HA VAL A 40 1.850 9.698 -3.493 1.00 0.00 H new ATOM 0 HB VAL A 40 4.039 11.123 -5.062 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.280 11.136 -2.938 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.775 12.081 -2.831 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.859 10.457 -2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.422 9.182 -4.445 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.006 8.422 -3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.021 8.708 -5.436 1.00 0.00 H new ATOM 604 N ALA A 41 1.037 11.955 -2.831 1.00 0.00 N ATOM 605 CA ALA A 41 0.444 13.234 -2.461 1.00 0.00 C ATOM 606 C ALA A 41 0.725 13.567 -1.000 1.00 0.00 C ATOM 607 O ALA A 41 1.141 12.705 -0.226 1.00 0.00 O ATOM 608 CB ALA A 41 -1.055 13.215 -2.721 1.00 0.00 C ATOM 0 H ALA A 41 0.985 11.240 -2.105 1.00 0.00 H new ATOM 0 HA ALA A 41 0.899 14.010 -3.077 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.485 14.176 -2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.238 13.031 -3.780 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.517 12.424 -2.130 1.00 0.00 H new ATOM 614 N ILE A 42 0.496 14.823 -0.630 1.00 0.00 N ATOM 615 CA ILE A 42 0.724 15.269 0.739 1.00 0.00 C ATOM 616 C ILE A 42 -0.377 16.219 1.198 1.00 0.00 C ATOM 617 O ILE A 42 -0.601 17.267 0.593 1.00 0.00 O ATOM 618 CB ILE A 42 2.087 15.973 0.881 1.00 0.00 C ATOM 619 CG1 ILE A 42 3.220 15.024 0.486 1.00 0.00 C ATOM 620 CG2 ILE A 42 2.279 16.472 2.306 1.00 0.00 C ATOM 621 CD1 ILE A 42 4.504 15.736 0.121 1.00 0.00 C ATOM 0 H ILE A 42 0.153 15.549 -1.259 1.00 0.00 H new ATOM 0 HA ILE A 42 0.717 14.378 1.367 1.00 0.00 H new ATOM 0 HB ILE A 42 2.108 16.832 0.210 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.415 14.340 1.312 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.897 14.418 -0.360 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.246 16.967 2.391 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.487 17.178 2.554 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.242 15.628 2.995 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.263 15.002 -0.148 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.324 16.399 -0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.851 16.321 0.973 1.00 0.00 H new ATOM 633 N LYS A 43 -1.061 15.845 2.274 1.00 0.00 N ATOM 634 CA LYS A 43 -2.138 16.664 2.819 1.00 0.00 C ATOM 635 C LYS A 43 -2.241 16.491 4.331 1.00 0.00 C ATOM 636 O LYS A 43 -1.633 15.587 4.905 1.00 0.00 O ATOM 637 CB LYS A 43 -3.469 16.296 2.160 1.00 0.00 C ATOM 638 CG LYS A 43 -3.762 17.087 0.897 1.00 0.00 C ATOM 639 CD LYS A 43 -4.969 16.532 0.159 1.00 0.00 C ATOM 640 CE LYS A 43 -4.565 15.463 -0.845 1.00 0.00 C ATOM 641 NZ LYS A 43 -4.356 14.141 -0.193 1.00 0.00 N ATOM 0 H LYS A 43 -0.889 14.980 2.786 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.911 17.709 2.606 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.464 15.233 1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.276 16.457 2.875 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.940 18.131 1.154 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.891 17.064 0.242 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.674 16.111 0.876 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.485 17.341 -0.357 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.336 15.373 -1.610 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.649 15.767 -1.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.584 13.382 -0.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.363 14.053 0.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.974 14.063 0.639 1.00 0.00 H new ATOM 655 N ASP A 44 -3.016 17.361 4.969 1.00 0.00 N ATOM 656 CA ASP A 44 -3.201 17.303 6.415 1.00 0.00 C ATOM 657 C ASP A 44 -1.857 17.224 7.132 1.00 0.00 C ATOM 658 O ASP A 44 -1.738 16.595 8.184 1.00 0.00 O ATOM 659 CB ASP A 44 -4.065 16.099 6.791 1.00 0.00 C ATOM 660 CG ASP A 44 -4.862 16.332 8.060 1.00 0.00 C ATOM 661 OD1 ASP A 44 -5.823 17.128 8.019 1.00 0.00 O ATOM 662 OD2 ASP A 44 -4.524 15.719 9.094 1.00 0.00 O ATOM 0 H ASP A 44 -3.526 18.115 4.508 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.707 18.216 6.729 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.749 15.876 5.972 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.428 15.224 6.921 1.00 0.00 H new ATOM 667 N LYS A 45 -0.846 17.865 6.556 1.00 0.00 N ATOM 668 CA LYS A 45 0.491 17.869 7.139 1.00 0.00 C ATOM 669 C LYS A 45 1.061 16.455 7.201 1.00 0.00 C ATOM 670 O LYS A 45 1.858 16.137 8.083 1.00 0.00 O ATOM 671 CB LYS A 45 0.456 18.478 8.543 1.00 0.00 C ATOM 672 CG LYS A 45 0.176 19.971 8.551 1.00 0.00 C ATOM 673 CD LYS A 45 -1.313 20.260 8.474 1.00 0.00 C ATOM 674 CE LYS A 45 -1.624 21.695 8.873 1.00 0.00 C ATOM 675 NZ LYS A 45 -1.350 22.651 7.765 1.00 0.00 N ATOM 0 H LYS A 45 -0.927 18.389 5.685 1.00 0.00 H new ATOM 0 HA LYS A 45 1.136 18.475 6.503 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.308 17.970 9.131 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.411 18.293 9.034 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.587 20.414 9.458 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.683 20.442 7.708 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.668 20.078 7.460 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.852 19.574 9.128 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.671 21.771 9.168 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.027 21.967 9.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.575 23.617 8.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.346 22.597 7.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.938 22.407 6.943 1.00 0.00 H new ATOM 689 N GLN A 46 0.648 15.614 6.259 1.00 0.00 N ATOM 690 CA GLN A 46 1.119 14.235 6.208 1.00 0.00 C ATOM 691 C GLN A 46 1.330 13.785 4.766 1.00 0.00 C ATOM 692 O GLN A 46 0.780 14.374 3.834 1.00 0.00 O ATOM 693 CB GLN A 46 0.122 13.307 6.904 1.00 0.00 C ATOM 694 CG GLN A 46 -1.135 13.045 6.091 1.00 0.00 C ATOM 695 CD GLN A 46 -1.807 11.737 6.460 1.00 0.00 C ATOM 696 OE1 GLN A 46 -1.335 10.659 6.098 1.00 0.00 O ATOM 697 NE2 GLN A 46 -2.916 11.825 7.185 1.00 0.00 N ATOM 0 H GLN A 46 -0.011 15.863 5.521 1.00 0.00 H new ATOM 0 HA GLN A 46 2.075 14.185 6.729 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.611 12.357 7.118 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.160 13.743 7.862 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -1.837 13.865 6.241 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.881 13.032 5.031 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.272 12.739 7.463 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.412 10.978 7.464 1.00 0.00 H new ATOM 706 N VAL A 47 2.129 12.737 4.588 1.00 0.00 N ATOM 707 CA VAL A 47 2.411 12.208 3.259 1.00 0.00 C ATOM 708 C VAL A 47 1.693 10.882 3.032 1.00 0.00 C ATOM 709 O VAL A 47 1.682 10.012 3.903 1.00 0.00 O ATOM 710 CB VAL A 47 3.923 12.004 3.046 1.00 0.00 C ATOM 711 CG1 VAL A 47 4.228 11.769 1.575 1.00 0.00 C ATOM 712 CG2 VAL A 47 4.701 13.198 3.576 1.00 0.00 C ATOM 0 H VAL A 47 2.592 12.238 5.348 1.00 0.00 H new ATOM 0 HA VAL A 47 2.046 12.943 2.541 1.00 0.00 H new ATOM 0 HB VAL A 47 4.235 11.120 3.603 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.301 11.627 1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.700 10.880 1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.903 12.632 0.994 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.767 13.037 3.417 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.388 14.099 3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.506 13.315 4.642 1.00 0.00 H new ATOM 722 N LYS A 48 1.095 10.734 1.855 1.00 0.00 N ATOM 723 CA LYS A 48 0.375 9.514 1.511 1.00 0.00 C ATOM 724 C LYS A 48 0.896 8.926 0.203 1.00 0.00 C ATOM 725 O LYS A 48 1.792 9.487 -0.428 1.00 0.00 O ATOM 726 CB LYS A 48 -1.124 9.797 1.393 1.00 0.00 C ATOM 727 CG LYS A 48 -1.853 9.778 2.726 1.00 0.00 C ATOM 728 CD LYS A 48 -3.329 9.464 2.549 1.00 0.00 C ATOM 729 CE LYS A 48 -4.047 9.389 3.888 1.00 0.00 C ATOM 730 NZ LYS A 48 -4.167 10.728 4.528 1.00 0.00 N ATOM 0 H LYS A 48 1.095 11.444 1.123 1.00 0.00 H new ATOM 0 HA LYS A 48 0.540 8.788 2.307 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.266 10.771 0.925 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.574 9.057 0.732 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.398 9.035 3.380 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.742 10.745 3.216 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.793 10.230 1.928 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.440 8.516 2.022 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.041 8.965 3.744 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.506 8.716 4.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.289 10.613 5.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.306 11.280 4.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.990 11.228 4.135 1.00 0.00 H new ATOM 744 N TYR A 49 0.329 7.794 -0.198 1.00 0.00 N ATOM 745 CA TYR A 49 0.737 7.129 -1.430 1.00 0.00 C ATOM 746 C TYR A 49 -0.384 6.246 -1.970 1.00 0.00 C ATOM 747 O TYR A 49 -0.836 5.318 -1.300 1.00 0.00 O ATOM 748 CB TYR A 49 1.993 6.289 -1.190 1.00 0.00 C ATOM 749 CG TYR A 49 3.065 7.014 -0.408 1.00 0.00 C ATOM 750 CD1 TYR A 49 2.912 7.267 0.949 1.00 0.00 C ATOM 751 CD2 TYR A 49 4.232 7.444 -1.027 1.00 0.00 C ATOM 752 CE1 TYR A 49 3.889 7.929 1.667 1.00 0.00 C ATOM 753 CE2 TYR A 49 5.215 8.105 -0.316 1.00 0.00 C ATOM 754 CZ TYR A 49 5.039 8.346 1.030 1.00 0.00 C ATOM 755 OH TYR A 49 6.015 9.005 1.742 1.00 0.00 O ATOM 0 H TYR A 49 -0.415 7.317 0.312 1.00 0.00 H new ATOM 0 HA TYR A 49 0.958 7.897 -2.171 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.716 5.381 -0.655 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.403 5.980 -2.152 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.014 6.941 1.452 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.373 7.258 -2.082 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.753 8.119 2.721 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.117 8.431 -0.812 1.00 0.00 H new ATOM 0 HH TYR A 49 5.598 9.545 2.445 1.00 0.00 H new ATOM 765 N PHE A 50 -0.827 6.542 -3.188 1.00 0.00 N ATOM 766 CA PHE A 50 -1.895 5.776 -3.819 1.00 0.00 C ATOM 767 C PHE A 50 -1.509 4.305 -3.943 1.00 0.00 C ATOM 768 O PHE A 50 -0.697 3.935 -4.791 1.00 0.00 O ATOM 769 CB PHE A 50 -2.214 6.350 -5.202 1.00 0.00 C ATOM 770 CG PHE A 50 -3.300 5.604 -5.924 1.00 0.00 C ATOM 771 CD1 PHE A 50 -4.269 4.910 -5.218 1.00 0.00 C ATOM 772 CD2 PHE A 50 -3.351 5.598 -7.309 1.00 0.00 C ATOM 773 CE1 PHE A 50 -5.269 4.223 -5.881 1.00 0.00 C ATOM 774 CE2 PHE A 50 -4.348 4.913 -7.977 1.00 0.00 C ATOM 775 CZ PHE A 50 -5.309 4.225 -7.262 1.00 0.00 C ATOM 0 H PHE A 50 -0.463 7.306 -3.757 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.782 5.849 -3.189 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.511 7.393 -5.094 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.309 6.337 -5.810 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.243 4.906 -4.138 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.603 6.135 -7.873 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.019 3.685 -5.320 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -4.376 4.916 -9.057 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.090 3.690 -7.781 1.00 0.00 H new ATOM 785 N ILE A 51 -2.098 3.472 -3.092 1.00 0.00 N ATOM 786 CA ILE A 51 -1.816 2.041 -3.106 1.00 0.00 C ATOM 787 C ILE A 51 -2.617 1.335 -4.195 1.00 0.00 C ATOM 788 O ILE A 51 -3.816 1.568 -4.349 1.00 0.00 O ATOM 789 CB ILE A 51 -2.134 1.392 -1.747 1.00 0.00 C ATOM 790 CG1 ILE A 51 -1.374 2.104 -0.626 1.00 0.00 C ATOM 791 CG2 ILE A 51 -1.786 -0.089 -1.773 1.00 0.00 C ATOM 792 CD1 ILE A 51 0.093 2.315 -0.931 1.00 0.00 C ATOM 0 H ILE A 51 -2.773 3.762 -2.385 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.751 1.930 -3.311 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.202 1.491 -1.555 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.841 3.071 -0.439 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.466 1.522 0.291 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.016 -0.534 -0.805 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.368 -0.586 -2.549 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.723 -0.209 -1.984 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.569 2.825 -0.093 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.574 1.350 -1.089 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.194 2.923 -1.830 1.00 0.00 H new ATOM 804 N HIS A 52 -1.947 0.467 -4.946 1.00 0.00 N ATOM 805 CA HIS A 52 -2.596 -0.277 -6.020 1.00 0.00 C ATOM 806 C HIS A 52 -2.535 -1.778 -5.755 1.00 0.00 C ATOM 807 O HIS A 52 -1.572 -2.446 -6.131 1.00 0.00 O ATOM 808 CB HIS A 52 -1.938 0.043 -7.362 1.00 0.00 C ATOM 809 CG HIS A 52 -2.181 -0.997 -8.412 1.00 0.00 C ATOM 810 ND1 HIS A 52 -3.401 -1.169 -9.032 1.00 0.00 N ATOM 811 CD2 HIS A 52 -1.352 -1.921 -8.951 1.00 0.00 C ATOM 812 CE1 HIS A 52 -3.312 -2.156 -9.906 1.00 0.00 C ATOM 813 NE2 HIS A 52 -2.079 -2.628 -9.877 1.00 0.00 N ATOM 0 H HIS A 52 -0.955 0.261 -4.831 1.00 0.00 H new ATOM 0 HA HIS A 52 -3.643 0.026 -6.057 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.310 1.003 -7.720 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.864 0.153 -7.213 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -4.240 -0.620 -8.845 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -0.313 -2.074 -8.700 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -4.112 -2.516 -10.537 1.00 0.00 H new ATOM 822 N TYR A 53 -3.568 -2.301 -5.104 1.00 0.00 N ATOM 823 CA TYR A 53 -3.630 -3.723 -4.786 1.00 0.00 C ATOM 824 C TYR A 53 -3.574 -4.568 -6.055 1.00 0.00 C ATOM 825 O TYR A 53 -4.497 -4.550 -6.868 1.00 0.00 O ATOM 826 CB TYR A 53 -4.908 -4.037 -4.007 1.00 0.00 C ATOM 827 CG TYR A 53 -4.871 -3.572 -2.568 1.00 0.00 C ATOM 828 CD1 TYR A 53 -4.891 -2.219 -2.254 1.00 0.00 C ATOM 829 CD2 TYR A 53 -4.816 -4.487 -1.524 1.00 0.00 C ATOM 830 CE1 TYR A 53 -4.856 -1.790 -0.942 1.00 0.00 C ATOM 831 CE2 TYR A 53 -4.782 -4.067 -0.208 1.00 0.00 C ATOM 832 CZ TYR A 53 -4.802 -2.718 0.078 1.00 0.00 C ATOM 833 OH TYR A 53 -4.768 -2.294 1.387 1.00 0.00 O ATOM 0 H TYR A 53 -4.374 -1.762 -4.786 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.766 -3.969 -4.169 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.754 -3.568 -4.510 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.081 -5.113 -4.028 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.935 -1.490 -3.050 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.800 -5.544 -1.745 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.871 -0.734 -0.715 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.740 -4.791 0.592 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.683 -2.213 1.728 1.00 0.00 H new ATOM 843 N SER A 54 -2.482 -5.310 -6.216 1.00 0.00 N ATOM 844 CA SER A 54 -2.302 -6.160 -7.386 1.00 0.00 C ATOM 845 C SER A 54 -3.535 -7.027 -7.623 1.00 0.00 C ATOM 846 O SER A 54 -3.789 -7.979 -6.886 1.00 0.00 O ATOM 847 CB SER A 54 -1.067 -7.047 -7.213 1.00 0.00 C ATOM 848 OG SER A 54 -0.743 -7.712 -8.422 1.00 0.00 O ATOM 0 H SER A 54 -1.709 -5.339 -5.551 1.00 0.00 H new ATOM 0 HA SER A 54 -2.160 -5.516 -8.254 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.221 -6.439 -6.891 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.250 -7.781 -6.428 1.00 0.00 H new ATOM 0 HG SER A 54 0.050 -8.271 -8.286 1.00 0.00 H new ATOM 854 N GLY A 55 -4.299 -6.689 -8.658 1.00 0.00 N ATOM 855 CA GLY A 55 -5.496 -7.446 -8.974 1.00 0.00 C ATOM 856 C GLY A 55 -6.149 -6.985 -10.262 1.00 0.00 C ATOM 857 O GLY A 55 -5.545 -6.252 -11.045 1.00 0.00 O ATOM 0 H GLY A 55 -4.110 -5.905 -9.283 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.243 -8.503 -9.056 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.209 -7.352 -8.155 1.00 0.00 H new ATOM 861 N TRP A 56 -7.385 -7.417 -10.484 1.00 0.00 N ATOM 862 CA TRP A 56 -8.120 -7.046 -11.688 1.00 0.00 C ATOM 863 C TRP A 56 -8.809 -5.697 -11.511 1.00 0.00 C ATOM 864 O TRP A 56 -8.457 -4.719 -12.168 1.00 0.00 O ATOM 865 CB TRP A 56 -9.154 -8.120 -12.031 1.00 0.00 C ATOM 866 CG TRP A 56 -10.225 -7.637 -12.961 1.00 0.00 C ATOM 867 CD1 TRP A 56 -11.446 -7.133 -12.613 1.00 0.00 C ATOM 868 CD2 TRP A 56 -10.173 -7.614 -14.391 1.00 0.00 C ATOM 869 NE1 TRP A 56 -12.156 -6.799 -13.741 1.00 0.00 N ATOM 870 CE2 TRP A 56 -11.396 -7.083 -14.845 1.00 0.00 C ATOM 871 CE3 TRP A 56 -9.210 -7.988 -15.333 1.00 0.00 C ATOM 872 CZ2 TRP A 56 -11.680 -6.920 -16.198 1.00 0.00 C ATOM 873 CZ3 TRP A 56 -9.494 -7.826 -16.676 1.00 0.00 C ATOM 874 CH2 TRP A 56 -10.720 -7.295 -17.098 1.00 0.00 C ATOM 0 H TRP A 56 -7.899 -8.024 -9.846 1.00 0.00 H new ATOM 0 HA TRP A 56 -7.407 -6.964 -12.508 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -8.646 -8.972 -12.484 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -9.616 -8.477 -11.110 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -11.801 -7.014 -11.600 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -13.096 -6.404 -13.754 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -8.261 -8.396 -15.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -12.625 -6.512 -16.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -8.758 -8.114 -17.413 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -10.911 -7.179 -18.155 1.00 0.00 H new ATOM 885 N ASN A 57 -9.793 -5.653 -10.618 1.00 0.00 N ATOM 886 CA ASN A 57 -10.531 -4.423 -10.355 1.00 0.00 C ATOM 887 C ASN A 57 -9.630 -3.375 -9.711 1.00 0.00 C ATOM 888 O ASN A 57 -8.750 -3.701 -8.915 1.00 0.00 O ATOM 889 CB ASN A 57 -11.730 -4.708 -9.449 1.00 0.00 C ATOM 890 CG ASN A 57 -11.316 -5.029 -8.026 1.00 0.00 C ATOM 891 OD1 ASN A 57 -11.146 -4.133 -7.200 1.00 0.00 O ATOM 892 ND2 ASN A 57 -11.151 -6.314 -7.734 1.00 0.00 N ATOM 0 H ASN A 57 -10.097 -6.454 -10.065 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.888 -4.032 -11.308 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -12.393 -3.843 -9.445 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -12.299 -5.544 -9.856 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.872 -6.591 -6.793 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.303 -7.023 -8.451 1.00 0.00 H new ATOM 899 N LYS A 58 -9.856 -2.113 -10.060 1.00 0.00 N ATOM 900 CA LYS A 58 -9.067 -1.014 -9.516 1.00 0.00 C ATOM 901 C LYS A 58 -9.850 -0.261 -8.445 1.00 0.00 C ATOM 902 O LYS A 58 -9.796 0.966 -8.373 1.00 0.00 O ATOM 903 CB LYS A 58 -8.654 -0.053 -10.632 1.00 0.00 C ATOM 904 CG LYS A 58 -7.473 0.830 -10.269 1.00 0.00 C ATOM 905 CD LYS A 58 -6.802 1.400 -11.507 1.00 0.00 C ATOM 906 CE LYS A 58 -5.996 2.648 -11.179 1.00 0.00 C ATOM 907 NZ LYS A 58 -4.759 2.325 -10.416 1.00 0.00 N ATOM 0 H LYS A 58 -10.580 -1.826 -10.718 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.171 -1.434 -9.059 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.405 -0.630 -11.523 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.504 0.579 -10.889 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.810 1.645 -9.629 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.749 0.252 -9.695 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.147 0.648 -11.946 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.558 1.640 -12.254 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.729 3.161 -12.103 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.611 3.336 -10.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.610 3.042 -9.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.858 1.388 -9.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.944 2.319 -11.062 1.00 0.00 H new ATOM 921 N ASN A 59 -10.576 -1.004 -7.616 1.00 0.00 N ATOM 922 CA ASN A 59 -11.369 -0.405 -6.548 1.00 0.00 C ATOM 923 C ASN A 59 -10.653 -0.523 -5.206 1.00 0.00 C ATOM 924 O ASN A 59 -10.420 0.475 -4.525 1.00 0.00 O ATOM 925 CB ASN A 59 -12.742 -1.075 -6.468 1.00 0.00 C ATOM 926 CG ASN A 59 -13.631 -0.715 -7.642 1.00 0.00 C ATOM 927 OD1 ASN A 59 -14.077 0.426 -7.771 1.00 0.00 O ATOM 928 ND2 ASN A 59 -13.893 -1.689 -8.506 1.00 0.00 N ATOM 0 H ASN A 59 -10.632 -2.021 -7.663 1.00 0.00 H new ATOM 0 HA ASN A 59 -11.501 0.653 -6.776 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.614 -2.157 -6.432 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -13.233 -0.781 -5.540 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.485 -1.506 -9.316 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.502 -2.620 -8.359 1.00 0.00 H new ATOM 935 N TRP A 60 -10.306 -1.750 -4.834 1.00 0.00 N ATOM 936 CA TRP A 60 -9.616 -2.000 -3.573 1.00 0.00 C ATOM 937 C TRP A 60 -8.514 -0.971 -3.343 1.00 0.00 C ATOM 938 O TRP A 60 -8.143 -0.690 -2.203 1.00 0.00 O ATOM 939 CB TRP A 60 -9.025 -3.410 -3.563 1.00 0.00 C ATOM 940 CG TRP A 60 -8.917 -3.999 -2.189 1.00 0.00 C ATOM 941 CD1 TRP A 60 -9.111 -3.351 -1.002 1.00 0.00 C ATOM 942 CD2 TRP A 60 -8.587 -5.353 -1.860 1.00 0.00 C ATOM 943 NE1 TRP A 60 -8.922 -4.221 0.045 1.00 0.00 N ATOM 944 CE2 TRP A 60 -8.601 -5.455 -0.455 1.00 0.00 C ATOM 945 CE3 TRP A 60 -8.285 -6.489 -2.615 1.00 0.00 C ATOM 946 CZ2 TRP A 60 -8.322 -6.648 0.207 1.00 0.00 C ATOM 947 CZ3 TRP A 60 -8.008 -7.672 -1.957 1.00 0.00 C ATOM 948 CH2 TRP A 60 -8.029 -7.745 -0.557 1.00 0.00 C ATOM 0 H TRP A 60 -10.491 -2.587 -5.387 1.00 0.00 H new ATOM 0 HA TRP A 60 -10.343 -1.913 -2.765 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -9.644 -4.060 -4.182 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -8.035 -3.385 -4.018 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -9.374 -2.308 -0.901 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -9.007 -3.986 1.034 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -8.268 -6.443 -3.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -8.336 -6.705 1.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -7.771 -8.556 -2.531 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -7.810 -8.685 -0.072 1.00 0.00 H new ATOM 959 N ASP A 61 -7.996 -0.413 -4.431 1.00 0.00 N ATOM 960 CA ASP A 61 -6.937 0.586 -4.347 1.00 0.00 C ATOM 961 C ASP A 61 -7.368 1.764 -3.478 1.00 0.00 C ATOM 962 O ASP A 61 -8.428 2.350 -3.694 1.00 0.00 O ATOM 963 CB ASP A 61 -6.559 1.079 -5.745 1.00 0.00 C ATOM 964 CG ASP A 61 -6.316 -0.061 -6.714 1.00 0.00 C ATOM 965 OD1 ASP A 61 -6.752 -1.193 -6.419 1.00 0.00 O ATOM 966 OD2 ASP A 61 -5.690 0.180 -7.768 1.00 0.00 O ATOM 0 H ASP A 61 -8.292 -0.635 -5.382 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.066 0.118 -3.887 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.355 1.716 -6.130 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.662 1.694 -5.680 1.00 0.00 H new ATOM 971 N GLU A 62 -6.540 2.103 -2.495 1.00 0.00 N ATOM 972 CA GLU A 62 -6.838 3.209 -1.593 1.00 0.00 C ATOM 973 C GLU A 62 -5.575 4.003 -1.271 1.00 0.00 C ATOM 974 O GLU A 62 -4.475 3.635 -1.684 1.00 0.00 O ATOM 975 CB GLU A 62 -7.469 2.686 -0.301 1.00 0.00 C ATOM 976 CG GLU A 62 -6.653 1.599 0.378 1.00 0.00 C ATOM 977 CD GLU A 62 -7.444 0.849 1.433 1.00 0.00 C ATOM 978 OE1 GLU A 62 -8.562 0.388 1.118 1.00 0.00 O ATOM 979 OE2 GLU A 62 -6.947 0.724 2.571 1.00 0.00 O ATOM 0 H GLU A 62 -5.658 1.628 -2.303 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.545 3.872 -2.092 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.599 3.517 0.392 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.463 2.297 -0.523 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.297 0.894 -0.373 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.772 2.046 0.839 1.00 0.00 H new ATOM 986 N TRP A 63 -5.742 5.093 -0.532 1.00 0.00 N ATOM 987 CA TRP A 63 -4.617 5.941 -0.154 1.00 0.00 C ATOM 988 C TRP A 63 -4.166 5.643 1.272 1.00 0.00 C ATOM 989 O TRP A 63 -4.989 5.407 2.157 1.00 0.00 O ATOM 990 CB TRP A 63 -4.996 7.417 -0.285 1.00 0.00 C ATOM 991 CG TRP A 63 -5.017 7.901 -1.703 1.00 0.00 C ATOM 992 CD1 TRP A 63 -6.065 7.836 -2.576 1.00 0.00 C ATOM 993 CD2 TRP A 63 -3.940 8.523 -2.412 1.00 0.00 C ATOM 994 NE1 TRP A 63 -5.704 8.380 -3.785 1.00 0.00 N ATOM 995 CE2 TRP A 63 -4.406 8.809 -3.710 1.00 0.00 C ATOM 996 CE3 TRP A 63 -2.628 8.867 -2.076 1.00 0.00 C ATOM 997 CZ2 TRP A 63 -3.605 9.422 -4.670 1.00 0.00 C ATOM 998 CZ3 TRP A 63 -1.834 9.475 -3.030 1.00 0.00 C ATOM 999 CH2 TRP A 63 -2.324 9.748 -4.314 1.00 0.00 C ATOM 0 H TRP A 63 -6.646 5.411 -0.182 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.789 5.726 -0.830 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.979 7.573 0.159 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.289 8.018 0.286 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.035 7.418 -2.349 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -6.306 8.452 -4.605 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.241 8.661 -1.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -3.981 9.633 -5.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -0.818 9.744 -2.781 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -1.679 10.225 -5.037 1.00 0.00 H new ATOM 1010 N VAL A 64 -2.855 5.657 1.488 1.00 0.00 N ATOM 1011 CA VAL A 64 -2.295 5.390 2.808 1.00 0.00 C ATOM 1012 C VAL A 64 -1.100 6.293 3.091 1.00 0.00 C ATOM 1013 O VAL A 64 -0.391 6.729 2.184 1.00 0.00 O ATOM 1014 CB VAL A 64 -1.857 3.920 2.945 1.00 0.00 C ATOM 1015 CG1 VAL A 64 -2.933 2.990 2.405 1.00 0.00 C ATOM 1016 CG2 VAL A 64 -0.534 3.689 2.231 1.00 0.00 C ATOM 0 H VAL A 64 -2.161 5.850 0.766 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.082 5.596 3.533 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.716 3.698 4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.606 1.956 2.510 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.856 3.137 2.965 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.109 3.210 1.352 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.240 2.645 2.338 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.645 3.928 1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.232 4.329 2.669 1.00 0.00 H new ATOM 1026 N PRO A 65 -0.869 6.582 4.380 1.00 0.00 N ATOM 1027 CA PRO A 65 0.242 7.435 4.813 1.00 0.00 C ATOM 1028 C PRO A 65 1.598 6.766 4.619 1.00 0.00 C ATOM 1029 O PRO A 65 1.679 5.639 4.130 1.00 0.00 O ATOM 1030 CB PRO A 65 -0.038 7.653 6.303 1.00 0.00 C ATOM 1031 CG PRO A 65 -0.845 6.470 6.713 1.00 0.00 C ATOM 1032 CD PRO A 65 -1.673 6.097 5.514 1.00 0.00 C ATOM 0 HA PRO A 65 0.296 8.358 4.235 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.888 7.718 6.875 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.583 8.582 6.472 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.201 5.644 7.015 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.480 6.708 7.567 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.838 5.021 5.459 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.655 6.569 5.541 1.00 0.00 H new ATOM 1040 N GLU A 66 2.660 7.466 5.006 1.00 0.00 N ATOM 1041 CA GLU A 66 4.012 6.937 4.873 1.00 0.00 C ATOM 1042 C GLU A 66 4.303 5.907 5.960 1.00 0.00 C ATOM 1043 O GLU A 66 5.366 5.287 5.974 1.00 0.00 O ATOM 1044 CB GLU A 66 5.036 8.072 4.943 1.00 0.00 C ATOM 1045 CG GLU A 66 6.434 7.658 4.515 1.00 0.00 C ATOM 1046 CD GLU A 66 7.467 8.737 4.773 1.00 0.00 C ATOM 1047 OE1 GLU A 66 7.848 8.927 5.947 1.00 0.00 O ATOM 1048 OE2 GLU A 66 7.895 9.393 3.800 1.00 0.00 O ATOM 0 H GLU A 66 2.610 8.400 5.414 1.00 0.00 H new ATOM 0 HA GLU A 66 4.089 6.447 3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.700 8.893 4.310 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.075 8.452 5.964 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.720 6.752 5.049 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.427 7.413 3.453 1.00 0.00 H new ATOM 1055 N SER A 67 3.350 5.731 6.870 1.00 0.00 N ATOM 1056 CA SER A 67 3.505 4.779 7.964 1.00 0.00 C ATOM 1057 C SER A 67 2.863 3.440 7.614 1.00 0.00 C ATOM 1058 O SER A 67 3.244 2.398 8.149 1.00 0.00 O ATOM 1059 CB SER A 67 2.882 5.337 9.245 1.00 0.00 C ATOM 1060 OG SER A 67 3.411 6.615 9.555 1.00 0.00 O ATOM 0 H SER A 67 2.463 6.235 6.871 1.00 0.00 H new ATOM 0 HA SER A 67 4.571 4.619 8.126 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.801 5.407 9.127 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.069 4.652 10.072 1.00 0.00 H new ATOM 0 HG SER A 67 2.996 6.950 10.377 1.00 0.00 H new ATOM 1066 N ARG A 68 1.886 3.477 6.714 1.00 0.00 N ATOM 1067 CA ARG A 68 1.190 2.267 6.293 1.00 0.00 C ATOM 1068 C ARG A 68 1.913 1.601 5.126 1.00 0.00 C ATOM 1069 O ARG A 68 1.533 0.517 4.684 1.00 0.00 O ATOM 1070 CB ARG A 68 -0.250 2.595 5.894 1.00 0.00 C ATOM 1071 CG ARG A 68 -1.194 2.731 7.077 1.00 0.00 C ATOM 1072 CD ARG A 68 -2.612 2.323 6.709 1.00 0.00 C ATOM 1073 NE ARG A 68 -3.482 2.250 7.879 1.00 0.00 N ATOM 1074 CZ ARG A 68 -3.939 3.318 8.524 1.00 0.00 C ATOM 1075 NH1 ARG A 68 -3.611 4.535 8.113 1.00 0.00 N ATOM 1076 NH2 ARG A 68 -4.727 3.169 9.581 1.00 0.00 N ATOM 0 H ARG A 68 1.559 4.331 6.263 1.00 0.00 H new ATOM 0 HA ARG A 68 1.179 1.573 7.134 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.258 3.525 5.325 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.622 1.813 5.232 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.838 2.112 7.901 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.191 3.762 7.429 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.022 3.039 5.997 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.592 1.354 6.211 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.754 1.328 8.220 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.007 4.653 7.300 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.963 5.353 8.610 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.982 2.234 9.899 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.077 3.989 10.076 1.00 0.00 H new ATOM 1090 N VAL A 69 2.957 2.258 4.631 1.00 0.00 N ATOM 1091 CA VAL A 69 3.734 1.730 3.516 1.00 0.00 C ATOM 1092 C VAL A 69 5.087 1.208 3.988 1.00 0.00 C ATOM 1093 O VAL A 69 5.697 1.767 4.900 1.00 0.00 O ATOM 1094 CB VAL A 69 3.959 2.801 2.432 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.433 2.158 1.137 1.00 0.00 C ATOM 1096 CG2 VAL A 69 2.687 3.603 2.205 1.00 0.00 C ATOM 0 H VAL A 69 3.284 3.157 4.985 1.00 0.00 H new ATOM 0 HA VAL A 69 3.159 0.908 3.090 1.00 0.00 H new ATOM 0 HB VAL A 69 4.736 3.484 2.775 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.587 2.930 0.383 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.371 1.632 1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.681 1.451 0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.863 4.355 1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.888 2.935 1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.396 4.094 3.133 1.00 0.00 H new ATOM 1106 N LEU A 70 5.551 0.133 3.360 1.00 0.00 N ATOM 1107 CA LEU A 70 6.833 -0.466 3.714 1.00 0.00 C ATOM 1108 C LEU A 70 7.776 -0.484 2.515 1.00 0.00 C ATOM 1109 O LEU A 70 7.371 -0.195 1.389 1.00 0.00 O ATOM 1110 CB LEU A 70 6.627 -1.888 4.237 1.00 0.00 C ATOM 1111 CG LEU A 70 5.512 -2.070 5.268 1.00 0.00 C ATOM 1112 CD1 LEU A 70 5.241 -3.547 5.507 1.00 0.00 C ATOM 1113 CD2 LEU A 70 5.874 -1.374 6.572 1.00 0.00 C ATOM 0 H LEU A 70 5.059 -0.342 2.603 1.00 0.00 H new ATOM 0 HA LEU A 70 7.285 0.141 4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.419 -2.539 3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.563 -2.230 4.679 1.00 0.00 H new ATOM 0 HG LEU A 70 4.603 -1.615 4.876 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.445 -3.656 6.243 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.937 -4.017 4.572 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.146 -4.028 5.877 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.070 -1.514 7.294 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.796 -1.800 6.968 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.016 -0.309 6.389 1.00 0.00 H new ATOM 1125 N LYS A 71 9.035 -0.828 2.764 1.00 0.00 N ATOM 1126 CA LYS A 71 10.036 -0.888 1.705 1.00 0.00 C ATOM 1127 C LYS A 71 10.028 -2.254 1.027 1.00 0.00 C ATOM 1128 O LYS A 71 10.919 -2.571 0.238 1.00 0.00 O ATOM 1129 CB LYS A 71 11.427 -0.597 2.273 1.00 0.00 C ATOM 1130 CG LYS A 71 11.619 0.848 2.699 1.00 0.00 C ATOM 1131 CD LYS A 71 10.969 1.124 4.045 1.00 0.00 C ATOM 1132 CE LYS A 71 11.588 2.336 4.725 1.00 0.00 C ATOM 1133 NZ LYS A 71 12.887 2.005 5.373 1.00 0.00 N ATOM 0 H LYS A 71 9.387 -1.070 3.690 1.00 0.00 H new ATOM 0 HA LYS A 71 9.788 -0.131 0.961 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.603 -1.246 3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.177 -0.849 1.523 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.684 1.073 2.755 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.193 1.510 1.945 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.900 1.289 3.907 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.076 0.250 4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.740 3.127 3.990 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.897 2.725 5.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.276 2.857 5.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.739 1.269 6.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.555 1.658 4.655 1.00 0.00 H new ATOM 1147 N TYR A 72 9.017 -3.058 1.337 1.00 0.00 N ATOM 1148 CA TYR A 72 8.895 -4.390 0.757 1.00 0.00 C ATOM 1149 C TYR A 72 10.250 -5.088 0.704 1.00 0.00 C ATOM 1150 O TYR A 72 10.655 -5.606 -0.337 1.00 0.00 O ATOM 1151 CB TYR A 72 8.297 -4.305 -0.648 1.00 0.00 C ATOM 1152 CG TYR A 72 7.446 -5.499 -1.018 1.00 0.00 C ATOM 1153 CD1 TYR A 72 8.028 -6.723 -1.323 1.00 0.00 C ATOM 1154 CD2 TYR A 72 6.061 -5.403 -1.063 1.00 0.00 C ATOM 1155 CE1 TYR A 72 7.255 -7.817 -1.663 1.00 0.00 C ATOM 1156 CE2 TYR A 72 5.280 -6.491 -1.399 1.00 0.00 C ATOM 1157 CZ TYR A 72 5.881 -7.696 -1.699 1.00 0.00 C ATOM 1158 OH TYR A 72 5.107 -8.782 -2.036 1.00 0.00 O ATOM 0 H TYR A 72 8.270 -2.811 1.986 1.00 0.00 H new ATOM 0 HA TYR A 72 8.230 -4.975 1.393 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.692 -3.401 -0.722 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.106 -4.207 -1.372 1.00 0.00 H new ATOM 0 HD1 TYR A 72 9.103 -6.821 -1.294 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.587 -4.461 -0.831 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.724 -8.761 -1.899 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.204 -6.399 -1.427 1.00 0.00 H new ATOM 0 HH TYR A 72 4.175 -8.609 -1.787 1.00 0.00 H new ATOM 1168 N VAL A 73 10.948 -5.098 1.835 1.00 0.00 N ATOM 1169 CA VAL A 73 12.258 -5.734 1.920 1.00 0.00 C ATOM 1170 C VAL A 73 12.208 -6.980 2.797 1.00 0.00 C ATOM 1171 O VAL A 73 11.246 -7.196 3.534 1.00 0.00 O ATOM 1172 CB VAL A 73 13.316 -4.766 2.482 1.00 0.00 C ATOM 1173 CG1 VAL A 73 13.695 -3.725 1.440 1.00 0.00 C ATOM 1174 CG2 VAL A 73 12.807 -4.100 3.752 1.00 0.00 C ATOM 0 H VAL A 73 10.628 -4.673 2.705 1.00 0.00 H new ATOM 0 HA VAL A 73 12.539 -6.018 0.906 1.00 0.00 H new ATOM 0 HB VAL A 73 14.210 -5.338 2.731 1.00 0.00 H new ATOM 0 HG11 VAL A 73 14.443 -3.050 1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 73 14.103 -4.223 0.560 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.810 -3.155 1.156 1.00 0.00 H new ATOM 0 HG21 VAL A 73 13.567 -3.419 4.136 1.00 0.00 H new ATOM 0 HG22 VAL A 73 11.898 -3.541 3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.591 -4.862 4.501 1.00 0.00 H new ATOM 1184 N ASP A 74 13.252 -7.798 2.712 1.00 0.00 N ATOM 1185 CA ASP A 74 13.329 -9.023 3.499 1.00 0.00 C ATOM 1186 C ASP A 74 12.839 -8.785 4.924 1.00 0.00 C ATOM 1187 O ASP A 74 12.116 -9.607 5.490 1.00 0.00 O ATOM 1188 CB ASP A 74 14.764 -9.551 3.521 1.00 0.00 C ATOM 1189 CG ASP A 74 14.834 -11.023 3.878 1.00 0.00 C ATOM 1190 OD1 ASP A 74 14.233 -11.840 3.149 1.00 0.00 O ATOM 1191 OD2 ASP A 74 15.490 -11.358 4.886 1.00 0.00 O ATOM 0 H ASP A 74 14.056 -7.635 2.106 1.00 0.00 H new ATOM 0 HA ASP A 74 12.684 -9.767 3.032 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.220 -9.395 2.544 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.348 -8.977 4.241 1.00 0.00 H new ATOM 1196 N THR A 75 13.238 -7.656 5.501 1.00 0.00 N ATOM 1197 CA THR A 75 12.842 -7.311 6.861 1.00 0.00 C ATOM 1198 C THR A 75 11.339 -7.076 6.953 1.00 0.00 C ATOM 1199 O THR A 75 10.642 -7.744 7.716 1.00 0.00 O ATOM 1200 CB THR A 75 13.578 -6.053 7.358 1.00 0.00 C ATOM 1201 OG1 THR A 75 14.977 -6.159 7.073 1.00 0.00 O ATOM 1202 CG2 THR A 75 13.373 -5.861 8.853 1.00 0.00 C ATOM 0 H THR A 75 13.835 -6.965 5.048 1.00 0.00 H new ATOM 0 HA THR A 75 13.114 -8.156 7.493 1.00 0.00 H new ATOM 0 HB THR A 75 13.166 -5.189 6.837 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.437 -5.354 7.391 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.902 -4.966 9.181 1.00 0.00 H new ATOM 0 HG22 THR A 75 12.309 -5.751 9.063 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.761 -6.728 9.388 1.00 0.00 H new ATOM 1210 N ASN A 76 10.844 -6.123 6.169 1.00 0.00 N ATOM 1211 CA ASN A 76 9.422 -5.801 6.162 1.00 0.00 C ATOM 1212 C ASN A 76 8.589 -7.020 5.778 1.00 0.00 C ATOM 1213 O ASN A 76 7.401 -7.099 6.094 1.00 0.00 O ATOM 1214 CB ASN A 76 9.143 -4.652 5.191 1.00 0.00 C ATOM 1215 CG ASN A 76 9.745 -3.341 5.657 1.00 0.00 C ATOM 1216 OD1 ASN A 76 9.712 -3.017 6.844 1.00 0.00 O ATOM 1217 ND2 ASN A 76 10.300 -2.579 4.722 1.00 0.00 N ATOM 0 H ASN A 76 11.407 -5.561 5.531 1.00 0.00 H new ATOM 0 HA ASN A 76 9.140 -5.494 7.169 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.544 -4.904 4.209 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.066 -4.533 5.074 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.722 -1.686 4.976 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.305 -2.887 3.750 1.00 0.00 H new ATOM 1224 N LEU A 77 9.220 -7.969 5.096 1.00 0.00 N ATOM 1225 CA LEU A 77 8.538 -9.186 4.669 1.00 0.00 C ATOM 1226 C LEU A 77 8.302 -10.121 5.850 1.00 0.00 C ATOM 1227 O LEU A 77 7.242 -10.735 5.965 1.00 0.00 O ATOM 1228 CB LEU A 77 9.357 -9.902 3.593 1.00 0.00 C ATOM 1229 CG LEU A 77 9.332 -9.271 2.200 1.00 0.00 C ATOM 1230 CD1 LEU A 77 10.410 -9.882 1.318 1.00 0.00 C ATOM 1231 CD2 LEU A 77 7.961 -9.439 1.563 1.00 0.00 C ATOM 0 H LEU A 77 10.203 -7.920 4.827 1.00 0.00 H new ATOM 0 HA LEU A 77 7.570 -8.904 4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.393 -9.954 3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.996 -10.927 3.512 1.00 0.00 H new ATOM 0 HG LEU A 77 9.535 -8.205 2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.377 -9.421 0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.388 -9.709 1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.238 -10.954 1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.962 -8.984 0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.728 -10.500 1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.209 -8.953 2.185 1.00 0.00 H new ATOM 1243 N GLN A 78 9.296 -10.222 6.727 1.00 0.00 N ATOM 1244 CA GLN A 78 9.196 -11.081 7.901 1.00 0.00 C ATOM 1245 C GLN A 78 7.809 -10.983 8.529 1.00 0.00 C ATOM 1246 O GLN A 78 7.342 -11.920 9.177 1.00 0.00 O ATOM 1247 CB GLN A 78 10.263 -10.702 8.929 1.00 0.00 C ATOM 1248 CG GLN A 78 9.804 -9.645 9.920 1.00 0.00 C ATOM 1249 CD GLN A 78 10.889 -9.261 10.907 1.00 0.00 C ATOM 1250 OE1 GLN A 78 10.686 -9.310 12.121 1.00 0.00 O ATOM 1251 NE2 GLN A 78 12.050 -8.876 10.391 1.00 0.00 N ATOM 0 H GLN A 78 10.180 -9.719 6.647 1.00 0.00 H new ATOM 0 HA GLN A 78 9.359 -12.111 7.583 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.562 -11.596 9.476 1.00 0.00 H new ATOM 0 HB3 GLN A 78 11.147 -10.338 8.406 1.00 0.00 H new ATOM 0 HG2 GLN A 78 9.482 -8.757 9.376 1.00 0.00 H new ATOM 0 HG3 GLN A 78 8.936 -10.016 10.466 1.00 0.00 H new ATOM 0 HE21 GLN A 78 12.175 -8.850 9.379 1.00 0.00 H new ATOM 0 HE22 GLN A 78 12.817 -8.606 11.007 1.00 0.00 H new ATOM 1260 N LYS A 79 7.156 -9.843 8.334 1.00 0.00 N ATOM 1261 CA LYS A 79 5.822 -9.622 8.880 1.00 0.00 C ATOM 1262 C LYS A 79 4.749 -9.992 7.862 1.00 0.00 C ATOM 1263 O LYS A 79 3.960 -10.910 8.085 1.00 0.00 O ATOM 1264 CB LYS A 79 5.657 -8.160 9.302 1.00 0.00 C ATOM 1265 CG LYS A 79 4.236 -7.796 9.694 1.00 0.00 C ATOM 1266 CD LYS A 79 4.140 -6.358 10.175 1.00 0.00 C ATOM 1267 CE LYS A 79 2.998 -6.175 11.163 1.00 0.00 C ATOM 1268 NZ LYS A 79 3.276 -6.848 12.462 1.00 0.00 N ATOM 0 H LYS A 79 7.529 -9.057 7.802 1.00 0.00 H new ATOM 0 HA LYS A 79 5.704 -10.262 9.754 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.320 -7.956 10.143 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.975 -7.516 8.482 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.574 -7.940 8.840 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.892 -8.467 10.481 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.079 -6.067 10.645 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.993 -5.697 9.321 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.832 -5.111 11.333 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.079 -6.577 10.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.455 -7.424 12.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.111 -7.460 12.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.457 -6.131 13.193 1.00 0.00 H new ATOM 1282 N GLN A 80 4.727 -9.273 6.744 1.00 0.00 N ATOM 1283 CA GLN A 80 3.750 -9.528 5.692 1.00 0.00 C ATOM 1284 C GLN A 80 3.418 -11.014 5.605 1.00 0.00 C ATOM 1285 O GLN A 80 2.276 -11.391 5.339 1.00 0.00 O ATOM 1286 CB GLN A 80 4.279 -9.033 4.345 1.00 0.00 C ATOM 1287 CG GLN A 80 3.798 -9.857 3.162 1.00 0.00 C ATOM 1288 CD GLN A 80 4.742 -10.992 2.819 1.00 0.00 C ATOM 1289 OE1 GLN A 80 5.936 -10.932 3.113 1.00 0.00 O ATOM 1290 NE2 GLN A 80 4.210 -12.036 2.192 1.00 0.00 N ATOM 0 H GLN A 80 5.374 -8.510 6.544 1.00 0.00 H new ATOM 0 HA GLN A 80 2.838 -8.984 5.939 1.00 0.00 H new ATOM 0 HB2 GLN A 80 3.974 -7.996 4.203 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.369 -9.044 4.366 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.812 -10.264 3.385 1.00 0.00 H new ATOM 0 HG3 GLN A 80 3.686 -9.208 2.294 1.00 0.00 H new ATOM 0 HE21 GLN A 80 3.215 -12.043 1.968 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.797 -12.830 1.935 1.00 0.00 H new ATOM 1299 N ARG A 81 4.423 -11.854 5.832 1.00 0.00 N ATOM 1300 CA ARG A 81 4.238 -13.299 5.778 1.00 0.00 C ATOM 1301 C ARG A 81 3.707 -13.829 7.107 1.00 0.00 C ATOM 1302 O ARG A 81 2.809 -14.669 7.136 1.00 0.00 O ATOM 1303 CB ARG A 81 5.557 -13.991 5.431 1.00 0.00 C ATOM 1304 CG ARG A 81 6.595 -13.913 6.538 1.00 0.00 C ATOM 1305 CD ARG A 81 7.965 -14.359 6.049 1.00 0.00 C ATOM 1306 NE ARG A 81 8.017 -15.799 5.808 1.00 0.00 N ATOM 1307 CZ ARG A 81 9.126 -16.446 5.465 1.00 0.00 C ATOM 1308 NH1 ARG A 81 10.267 -15.786 5.325 1.00 0.00 N ATOM 1309 NH2 ARG A 81 9.094 -17.757 5.262 1.00 0.00 N ATOM 0 H ARG A 81 5.373 -11.558 6.055 1.00 0.00 H new ATOM 0 HA ARG A 81 3.506 -13.518 5.001 1.00 0.00 H new ATOM 0 HB2 ARG A 81 5.359 -15.038 5.203 1.00 0.00 H new ATOM 0 HB3 ARG A 81 5.967 -13.540 4.527 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.655 -12.890 6.910 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.284 -14.539 7.375 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.212 -13.828 5.130 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.720 -14.087 6.787 1.00 0.00 H new ATOM 0 HE ARG A 81 7.156 -16.337 5.908 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.296 -14.778 5.481 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.116 -16.286 5.062 1.00 0.00 H new ATOM 0 HH21 ARG A 81 8.218 -18.268 5.369 1.00 0.00 H new ATOM 0 HH22 ARG A 81 9.945 -18.253 4.999 1.00 0.00 H new ATOM 1323 N GLU A 82 4.271 -13.332 8.204 1.00 0.00 N ATOM 1324 CA GLU A 82 3.855 -13.758 9.535 1.00 0.00 C ATOM 1325 C GLU A 82 2.344 -13.622 9.702 1.00 0.00 C ATOM 1326 O GLU A 82 1.684 -14.515 10.236 1.00 0.00 O ATOM 1327 CB GLU A 82 4.573 -12.933 10.605 1.00 0.00 C ATOM 1328 CG GLU A 82 3.786 -11.720 11.070 1.00 0.00 C ATOM 1329 CD GLU A 82 4.445 -11.007 12.234 1.00 0.00 C ATOM 1330 OE1 GLU A 82 4.657 -11.652 13.283 1.00 0.00 O ATOM 1331 OE2 GLU A 82 4.750 -9.804 12.097 1.00 0.00 O ATOM 0 H GLU A 82 5.016 -12.635 8.197 1.00 0.00 H new ATOM 0 HA GLU A 82 4.123 -14.808 9.654 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.782 -13.571 11.464 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.535 -12.603 10.212 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.674 -11.024 10.239 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.783 -12.032 11.361 1.00 0.00 H new ATOM 1338 N LEU A 83 1.802 -12.500 9.243 1.00 0.00 N ATOM 1339 CA LEU A 83 0.369 -12.246 9.341 1.00 0.00 C ATOM 1340 C LEU A 83 -0.411 -13.149 8.391 1.00 0.00 C ATOM 1341 O LEU A 83 -1.390 -13.781 8.785 1.00 0.00 O ATOM 1342 CB LEU A 83 0.069 -10.778 9.030 1.00 0.00 C ATOM 1343 CG LEU A 83 1.025 -9.753 9.640 1.00 0.00 C ATOM 1344 CD1 LEU A 83 0.743 -8.365 9.087 1.00 0.00 C ATOM 1345 CD2 LEU A 83 0.915 -9.758 11.158 1.00 0.00 C ATOM 0 H LEU A 83 2.333 -11.751 8.799 1.00 0.00 H new ATOM 0 HA LEU A 83 0.055 -12.467 10.361 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.072 -10.649 7.948 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.940 -10.553 9.375 1.00 0.00 H new ATOM 0 HG LEU A 83 2.044 -10.029 9.369 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.433 -7.649 9.533 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.875 -8.371 8.005 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.281 -8.079 9.326 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.603 -9.022 11.575 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.105 -9.508 11.450 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.168 -10.748 11.538 1.00 0.00 H new ATOM 1357 N GLN A 84 0.033 -13.206 7.140 1.00 0.00 N ATOM 1358 CA GLN A 84 -0.623 -14.034 6.134 1.00 0.00 C ATOM 1359 C GLN A 84 -0.778 -15.469 6.627 1.00 0.00 C ATOM 1360 O GLN A 84 -1.863 -16.046 6.558 1.00 0.00 O ATOM 1361 CB GLN A 84 0.174 -14.014 4.828 1.00 0.00 C ATOM 1362 CG GLN A 84 -0.056 -12.764 3.994 1.00 0.00 C ATOM 1363 CD GLN A 84 0.826 -12.714 2.763 1.00 0.00 C ATOM 1364 OE1 GLN A 84 1.431 -13.715 2.377 1.00 0.00 O ATOM 1365 NE2 GLN A 84 0.904 -11.545 2.137 1.00 0.00 N ATOM 0 H GLN A 84 0.843 -12.689 6.798 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.616 -13.623 5.952 1.00 0.00 H new ATOM 0 HB2 GLN A 84 1.236 -14.096 5.059 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.092 -14.890 4.236 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.102 -12.723 3.689 1.00 0.00 H new ATOM 0 HG3 GLN A 84 0.132 -11.883 4.607 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.386 -10.741 2.491 1.00 0.00 H new ATOM 0 HE22 GLN A 84 1.482 -11.451 1.302 1.00 0.00 H new ATOM 1374 N LYS A 85 0.314 -16.040 7.125 1.00 0.00 N ATOM 1375 CA LYS A 85 0.300 -17.407 7.631 1.00 0.00 C ATOM 1376 C LYS A 85 -0.406 -17.480 8.981 1.00 0.00 C ATOM 1377 O LYS A 85 -1.109 -18.447 9.273 1.00 0.00 O ATOM 1378 CB LYS A 85 1.729 -17.939 7.760 1.00 0.00 C ATOM 1379 CG LYS A 85 2.550 -17.226 8.820 1.00 0.00 C ATOM 1380 CD LYS A 85 4.034 -17.506 8.658 1.00 0.00 C ATOM 1381 CE LYS A 85 4.459 -18.734 9.448 1.00 0.00 C ATOM 1382 NZ LYS A 85 5.922 -18.988 9.335 1.00 0.00 N ATOM 0 H LYS A 85 1.220 -15.576 7.189 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.248 -18.026 6.921 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.692 -19.003 7.996 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.232 -17.843 6.798 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.373 -16.152 8.758 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.224 -17.546 9.810 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.264 -17.653 7.603 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.607 -16.641 8.992 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.194 -18.601 10.497 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.911 -19.605 9.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.171 -19.833 9.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.172 -19.141 8.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.446 -18.168 9.702 1.00 0.00 H new ATOM 1396 N ALA A 86 -0.213 -16.452 9.801 1.00 0.00 N ATOM 1397 CA ALA A 86 -0.834 -16.399 11.118 1.00 0.00 C ATOM 1398 C ALA A 86 -2.338 -16.635 11.027 1.00 0.00 C ATOM 1399 O ALA A 86 -2.891 -17.463 11.750 1.00 0.00 O ATOM 1400 CB ALA A 86 -0.548 -15.060 11.783 1.00 0.00 C ATOM 0 H ALA A 86 0.369 -15.645 9.576 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.404 -17.195 11.727 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.018 -15.034 12.766 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.529 -14.931 11.892 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.950 -14.255 11.168 1.00 0.00 H new ATOM 1406 N ASN A 87 -2.994 -15.902 10.133 1.00 0.00 N ATOM 1407 CA ASN A 87 -4.435 -16.032 9.949 1.00 0.00 C ATOM 1408 C ASN A 87 -4.754 -16.719 8.624 1.00 0.00 C ATOM 1409 O ASN A 87 -4.775 -16.081 7.572 1.00 0.00 O ATOM 1410 CB ASN A 87 -5.102 -14.655 9.995 1.00 0.00 C ATOM 1411 CG ASN A 87 -4.814 -13.917 11.288 1.00 0.00 C ATOM 1412 OD1 ASN A 87 -5.475 -14.138 12.303 1.00 0.00 O ATOM 1413 ND2 ASN A 87 -3.823 -13.034 11.256 1.00 0.00 N ATOM 0 H ASN A 87 -2.551 -15.213 9.525 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.826 -16.646 10.760 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.753 -14.057 9.153 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.179 -14.772 9.879 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.583 -12.506 12.095 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.302 -12.883 10.392 1.00 0.00 H new ATOM 1420 N GLN A 88 -5.002 -18.023 8.685 1.00 0.00 N ATOM 1421 CA GLN A 88 -5.320 -18.797 7.491 1.00 0.00 C ATOM 1422 C GLN A 88 -6.816 -18.759 7.200 1.00 0.00 C ATOM 1423 O GLN A 88 -7.251 -19.081 6.095 1.00 0.00 O ATOM 1424 CB GLN A 88 -4.857 -20.245 7.658 1.00 0.00 C ATOM 1425 CG GLN A 88 -3.347 -20.396 7.742 1.00 0.00 C ATOM 1426 CD GLN A 88 -2.878 -21.791 7.378 1.00 0.00 C ATOM 1427 OE1 GLN A 88 -3.685 -22.669 7.070 1.00 0.00 O ATOM 1428 NE2 GLN A 88 -1.568 -22.003 7.411 1.00 0.00 N ATOM 0 H GLN A 88 -4.989 -18.566 9.548 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.793 -18.350 6.648 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.306 -20.659 8.561 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -5.226 -20.835 6.819 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.876 -19.673 7.076 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.018 -20.159 8.754 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.935 -21.247 7.672 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.194 -22.922 7.175 1.00 0.00 H new ATOM 1437 N GLU A 89 -7.599 -18.363 8.199 1.00 0.00 N ATOM 1438 CA GLU A 89 -9.047 -18.285 8.049 1.00 0.00 C ATOM 1439 C GLU A 89 -9.475 -16.884 7.621 1.00 0.00 C ATOM 1440 O GLU A 89 -10.187 -16.718 6.631 1.00 0.00 O ATOM 1441 CB GLU A 89 -9.739 -18.662 9.361 1.00 0.00 C ATOM 1442 CG GLU A 89 -11.083 -17.982 9.558 1.00 0.00 C ATOM 1443 CD GLU A 89 -12.028 -18.794 10.422 1.00 0.00 C ATOM 1444 OE1 GLU A 89 -11.904 -20.037 10.430 1.00 0.00 O ATOM 1445 OE2 GLU A 89 -12.890 -18.187 11.091 1.00 0.00 O ATOM 0 H GLU A 89 -7.255 -18.092 9.120 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.345 -18.991 7.273 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.880 -19.742 9.390 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.085 -18.404 10.194 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.928 -17.005 10.016 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.544 -17.809 8.586 1.00 0.00 H new ATOM 1452 N GLN A 90 -9.034 -15.881 8.373 1.00 0.00 N ATOM 1453 CA GLN A 90 -9.372 -14.495 8.072 1.00 0.00 C ATOM 1454 C GLN A 90 -8.875 -14.103 6.685 1.00 0.00 C ATOM 1455 O GLN A 90 -9.538 -13.355 5.965 1.00 0.00 O ATOM 1456 CB GLN A 90 -8.772 -13.561 9.125 1.00 0.00 C ATOM 1457 CG GLN A 90 -9.584 -12.296 9.349 1.00 0.00 C ATOM 1458 CD GLN A 90 -9.406 -11.283 8.235 1.00 0.00 C ATOM 1459 OE1 GLN A 90 -8.370 -10.623 8.140 1.00 0.00 O ATOM 1460 NE2 GLN A 90 -10.417 -11.155 7.384 1.00 0.00 N ATOM 0 H GLN A 90 -8.442 -16.002 9.195 1.00 0.00 H new ATOM 0 HA GLN A 90 -10.458 -14.400 8.089 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.685 -14.099 10.069 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.762 -13.286 8.821 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.639 -12.556 9.433 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -9.291 -11.844 10.296 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.257 -11.722 7.501 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -10.354 -10.489 6.614 1.00 0.00 H new ATOM 1469 N TYR A 91 -7.705 -14.611 6.315 1.00 0.00 N ATOM 1470 CA TYR A 91 -7.117 -14.311 5.015 1.00 0.00 C ATOM 1471 C TYR A 91 -7.937 -14.936 3.890 1.00 0.00 C ATOM 1472 O TYR A 91 -8.163 -14.315 2.852 1.00 0.00 O ATOM 1473 CB TYR A 91 -5.676 -14.819 4.954 1.00 0.00 C ATOM 1474 CG TYR A 91 -4.875 -14.233 3.813 1.00 0.00 C ATOM 1475 CD1 TYR A 91 -4.925 -14.793 2.543 1.00 0.00 C ATOM 1476 CD2 TYR A 91 -4.067 -13.119 4.006 1.00 0.00 C ATOM 1477 CE1 TYR A 91 -4.195 -14.261 1.498 1.00 0.00 C ATOM 1478 CE2 TYR A 91 -3.335 -12.579 2.967 1.00 0.00 C ATOM 1479 CZ TYR A 91 -3.401 -13.154 1.715 1.00 0.00 C ATOM 1480 OH TYR A 91 -2.672 -12.621 0.677 1.00 0.00 O ATOM 0 H TYR A 91 -7.145 -15.233 6.897 1.00 0.00 H new ATOM 0 HA TYR A 91 -7.119 -13.229 4.884 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -5.177 -14.585 5.895 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -5.686 -15.905 4.860 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -5.546 -15.660 2.369 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.011 -12.668 4.986 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -4.246 -14.709 0.517 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -2.714 -11.711 3.134 1.00 0.00 H new ATOM 0 HH TYR A 91 -2.167 -11.844 0.997 1.00 0.00 H new ATOM 1490 N ALA A 92 -8.379 -16.171 4.105 1.00 0.00 N ATOM 1491 CA ALA A 92 -9.176 -16.881 3.112 1.00 0.00 C ATOM 1492 C ALA A 92 -10.481 -16.145 2.827 1.00 0.00 C ATOM 1493 O ALA A 92 -10.859 -15.960 1.671 1.00 0.00 O ATOM 1494 CB ALA A 92 -9.460 -18.300 3.579 1.00 0.00 C ATOM 0 H ALA A 92 -8.199 -16.700 4.958 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.603 -16.923 2.186 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.056 -18.818 2.828 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.519 -18.830 3.725 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -10.009 -18.270 4.520 1.00 0.00 H new ATOM 1500 N GLU A 93 -11.164 -15.728 3.888 1.00 0.00 N ATOM 1501 CA GLU A 93 -12.428 -15.014 3.750 1.00 0.00 C ATOM 1502 C GLU A 93 -12.403 -14.095 2.532 1.00 0.00 C ATOM 1503 O GLU A 93 -11.650 -13.123 2.489 1.00 0.00 O ATOM 1504 CB GLU A 93 -12.718 -14.198 5.012 1.00 0.00 C ATOM 1505 CG GLU A 93 -13.114 -15.048 6.208 1.00 0.00 C ATOM 1506 CD GLU A 93 -14.307 -15.939 5.921 1.00 0.00 C ATOM 1507 OE1 GLU A 93 -15.446 -15.428 5.929 1.00 0.00 O ATOM 1508 OE2 GLU A 93 -14.100 -17.149 5.688 1.00 0.00 O ATOM 0 H GLU A 93 -10.864 -15.872 4.852 1.00 0.00 H new ATOM 0 HA GLU A 93 -13.219 -15.751 3.612 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -11.834 -13.614 5.268 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -13.518 -13.489 4.800 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -12.267 -15.666 6.506 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.346 -14.397 7.051 1.00 0.00 H new ATOM 1515 N GLY A 94 -13.233 -14.411 1.543 1.00 0.00 N ATOM 1516 CA GLY A 94 -13.291 -13.606 0.337 1.00 0.00 C ATOM 1517 C GLY A 94 -12.671 -14.305 -0.857 1.00 0.00 C ATOM 1518 O GLY A 94 -13.236 -14.299 -1.951 1.00 0.00 O ATOM 0 H GLY A 94 -13.866 -15.210 1.555 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.331 -13.366 0.114 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.775 -12.661 0.509 1.00 0.00 H new ATOM 1522 N LYS A 95 -11.505 -14.907 -0.649 1.00 0.00 N ATOM 1523 CA LYS A 95 -10.807 -15.613 -1.716 1.00 0.00 C ATOM 1524 C LYS A 95 -11.613 -16.817 -2.191 1.00 0.00 C ATOM 1525 O LYS A 95 -11.973 -17.686 -1.397 1.00 0.00 O ATOM 1526 CB LYS A 95 -9.426 -16.067 -1.237 1.00 0.00 C ATOM 1527 CG LYS A 95 -8.352 -15.002 -1.379 1.00 0.00 C ATOM 1528 CD LYS A 95 -6.967 -15.618 -1.481 1.00 0.00 C ATOM 1529 CE LYS A 95 -5.957 -14.627 -2.039 1.00 0.00 C ATOM 1530 NZ LYS A 95 -6.232 -14.299 -3.465 1.00 0.00 N ATOM 0 H LYS A 95 -11.023 -14.920 0.250 1.00 0.00 H new ATOM 0 HA LYS A 95 -10.687 -14.926 -2.554 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -9.494 -16.366 -0.191 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.127 -16.950 -1.802 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.550 -14.400 -2.266 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.390 -14.329 -0.522 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -6.643 -15.954 -0.496 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -7.006 -16.499 -2.121 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.979 -13.713 -1.445 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.953 -15.042 -1.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.368 -13.927 -3.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.537 -15.158 -3.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.984 -13.582 -3.518 1.00 0.00 H new ATOM 1544 N MET A 96 -11.893 -16.862 -3.489 1.00 0.00 N ATOM 1545 CA MET A 96 -12.655 -17.962 -4.069 1.00 0.00 C ATOM 1546 C MET A 96 -11.961 -19.297 -3.816 1.00 0.00 C ATOM 1547 O MET A 96 -12.587 -20.256 -3.364 1.00 0.00 O ATOM 1548 CB MET A 96 -12.839 -17.747 -5.572 1.00 0.00 C ATOM 1549 CG MET A 96 -13.586 -18.877 -6.261 1.00 0.00 C ATOM 1550 SD MET A 96 -13.671 -18.665 -8.050 1.00 0.00 S ATOM 1551 CE MET A 96 -15.240 -19.451 -8.409 1.00 0.00 C ATOM 0 H MET A 96 -11.604 -16.150 -4.159 1.00 0.00 H new ATOM 0 HA MET A 96 -13.634 -17.985 -3.590 1.00 0.00 H new ATOM 0 HB2 MET A 96 -13.379 -16.814 -5.734 1.00 0.00 H new ATOM 0 HB3 MET A 96 -11.860 -17.633 -6.037 1.00 0.00 H new ATOM 0 HG2 MET A 96 -13.095 -19.823 -6.034 1.00 0.00 H new ATOM 0 HG3 MET A 96 -14.597 -18.938 -5.858 1.00 0.00 H new ATOM 0 HE1 MET A 96 -15.435 -19.401 -9.480 1.00 0.00 H new ATOM 0 HE2 MET A 96 -15.205 -20.494 -8.095 1.00 0.00 H new ATOM 0 HE3 MET A 96 -16.036 -18.937 -7.871 1.00 0.00 H new ATOM 1561 N ARG A 97 -10.666 -19.351 -4.110 1.00 0.00 N ATOM 1562 CA ARG A 97 -9.889 -20.569 -3.915 1.00 0.00 C ATOM 1563 C ARG A 97 -8.627 -20.285 -3.106 1.00 0.00 C ATOM 1564 O ARG A 97 -7.638 -19.779 -3.635 1.00 0.00 O ATOM 1565 CB ARG A 97 -9.514 -21.181 -5.266 1.00 0.00 C ATOM 1566 CG ARG A 97 -10.626 -22.010 -5.888 1.00 0.00 C ATOM 1567 CD ARG A 97 -10.490 -22.077 -7.402 1.00 0.00 C ATOM 1568 NE ARG A 97 -11.652 -22.702 -8.028 1.00 0.00 N ATOM 1569 CZ ARG A 97 -11.763 -22.902 -9.336 1.00 0.00 C ATOM 1570 NH1 ARG A 97 -10.787 -22.528 -10.152 1.00 0.00 N ATOM 1571 NH2 ARG A 97 -12.852 -23.478 -9.831 1.00 0.00 N ATOM 0 H ARG A 97 -10.133 -18.566 -4.484 1.00 0.00 H new ATOM 0 HA ARG A 97 -10.504 -21.278 -3.360 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -9.240 -20.381 -5.954 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -8.632 -21.809 -5.139 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -10.605 -23.018 -5.475 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -11.592 -21.579 -5.627 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -10.362 -21.070 -7.799 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -9.593 -22.639 -7.661 1.00 0.00 H new ATOM 0 HE ARG A 97 -12.420 -23.001 -7.428 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -9.949 -22.086 -9.775 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -10.875 -22.683 -11.156 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -13.605 -23.767 -9.206 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -12.936 -23.631 -10.836 1.00 0.00 H new ATOM 1585 N GLY A 98 -8.669 -20.614 -1.818 1.00 0.00 N ATOM 1586 CA GLY A 98 -7.524 -20.386 -0.957 1.00 0.00 C ATOM 1587 C GLY A 98 -6.593 -21.581 -0.901 1.00 0.00 C ATOM 1588 O GLY A 98 -6.987 -22.664 -0.467 1.00 0.00 O ATOM 0 H GLY A 98 -9.476 -21.034 -1.356 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.973 -19.516 -1.314 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.871 -20.152 0.050 1.00 0.00 H new ATOM 1592 N ALA A 99 -5.355 -21.387 -1.343 1.00 0.00 N ATOM 1593 CA ALA A 99 -4.366 -22.457 -1.341 1.00 0.00 C ATOM 1594 C ALA A 99 -2.976 -21.921 -1.665 1.00 0.00 C ATOM 1595 O ALA A 99 -2.784 -21.232 -2.667 1.00 0.00 O ATOM 1596 CB ALA A 99 -4.760 -23.541 -2.333 1.00 0.00 C ATOM 0 H ALA A 99 -5.013 -20.498 -1.707 1.00 0.00 H new ATOM 0 HA ALA A 99 -4.336 -22.888 -0.340 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.012 -24.334 -2.321 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -5.730 -23.953 -2.056 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.820 -23.114 -3.334 1.00 0.00 H new ATOM 1602 N ALA A 100 -2.009 -22.240 -0.810 1.00 0.00 N ATOM 1603 CA ALA A 100 -0.637 -21.791 -1.007 1.00 0.00 C ATOM 1604 C ALA A 100 -0.038 -22.394 -2.273 1.00 0.00 C ATOM 1605 O ALA A 100 0.049 -23.615 -2.409 1.00 0.00 O ATOM 1606 CB ALA A 100 0.214 -22.148 0.203 1.00 0.00 C ATOM 0 H ALA A 100 -2.151 -22.808 0.025 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.649 -20.707 -1.123 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.237 -21.807 0.042 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.194 -21.665 1.090 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.210 -23.229 0.344 1.00 0.00 H new TER 1612 ALA A 100