USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 864 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 100 MET CE :methyl -131:sc= -0.113 (180deg=-1.61) USER MOD Set 1.2: A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 70 ASN : amide:sc= -0.0781 K(o=-1.4,f=-3.6!) USER MOD Set 2.2: A 101 CYS SG : rot -98:sc= -1.31! USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0929 (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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 170:sc= -1.02 USER MOD Single : A 11 ASN : amide:sc= -0.208 K(o=-0.21,f=-1.3) USER MOD Single : A 19 CYS SG : rot -15:sc= -4.42! USER MOD Single : A 21 MET CE :methyl -176:sc= -1.19 (180deg=-1.24) USER MOD Single : A 22 SER OG : rot 180:sc=-0.00494 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.897 K(o=-0.9,f=-3.9!) USER MOD Single : A 29 LYS NZ :NH3+ -157:sc= 1.21 (180deg=0.784) USER MOD Single : A 34 ASN : amide:sc= -0.0655 K(o=-0.066,f=-0.97) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.409 X(o=-0.41,f=-0.41) USER MOD Single : A 46 ASN : amide:sc= -1.19 K(o=-1.2,f=-2.1!) USER MOD Single : A 51 THR OG1 : rot -45:sc= 1.69 USER MOD Single : A 52 TYR OH : rot 122:sc= 0.372! USER MOD Single : A 53 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -2.08! C(o=-2.1!,f=-10!) USER MOD Single : A 64 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00722) USER MOD Single : A 65 ASN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.576 K(o=-0.58,f=-2.1) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 60:sc= 0.175 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -99:sc= 1.12 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 69:sc= 0.386 USER MOD Single : A 93 GLN : amide:sc= -1.07 X(o=-1.1,f=-1.3) USER MOD Single : A 97 MET CE :methyl -167:sc= -2.12 (180deg=-2.55) USER MOD Single : A 99 HIS : no HD1:sc= -3.04! C(o=-3!,f=-3.6!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.411 16.863 -22.295 1.00 0.00 N ATOM 2 CA GLY A 1 -7.758 18.090 -21.603 1.00 0.00 C ATOM 3 C GLY A 1 -7.738 17.932 -20.096 1.00 0.00 C ATOM 4 O GLY A 1 -7.647 16.816 -19.583 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.510 16.991 -22.798 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.316 16.090 -21.605 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.158 16.627 -22.979 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.060 18.876 -21.892 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.750 18.413 -21.918 1.00 0.00 H new ATOM 8 N SER A 2 -7.823 19.051 -19.383 1.00 0.00 N ATOM 9 CA SER A 2 -7.809 19.031 -17.925 1.00 0.00 C ATOM 10 C SER A 2 -9.229 19.053 -17.368 1.00 0.00 C ATOM 11 O SER A 2 -10.135 19.629 -17.969 1.00 0.00 O ATOM 12 CB SER A 2 -7.019 20.226 -17.386 1.00 0.00 C ATOM 13 OG SER A 2 -6.671 20.035 -16.026 1.00 0.00 O ATOM 0 H SER A 2 -7.902 19.982 -19.791 1.00 0.00 H new ATOM 0 HA SER A 2 -7.325 18.109 -17.603 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.116 20.366 -17.980 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.612 21.135 -17.489 1.00 0.00 H new ATOM 0 HG SER A 2 -6.166 20.811 -15.706 1.00 0.00 H new ATOM 19 N SER A 3 -9.414 18.419 -16.214 1.00 0.00 N ATOM 20 CA SER A 3 -10.724 18.361 -15.576 1.00 0.00 C ATOM 21 C SER A 3 -10.586 18.258 -14.060 1.00 0.00 C ATOM 22 O SER A 3 -9.478 18.182 -13.530 1.00 0.00 O ATOM 23 CB SER A 3 -11.522 17.170 -16.109 1.00 0.00 C ATOM 24 OG SER A 3 -10.821 15.955 -15.907 1.00 0.00 O ATOM 0 H SER A 3 -8.674 17.939 -15.702 1.00 0.00 H new ATOM 0 HA SER A 3 -11.257 19.282 -15.813 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.489 17.123 -15.609 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.720 17.307 -17.172 1.00 0.00 H new ATOM 0 HG SER A 3 -11.353 15.209 -16.255 1.00 0.00 H new ATOM 30 N GLY A 4 -11.721 18.256 -13.368 1.00 0.00 N ATOM 31 CA GLY A 4 -11.706 18.162 -11.920 1.00 0.00 C ATOM 32 C GLY A 4 -12.525 19.253 -11.259 1.00 0.00 C ATOM 33 O GLY A 4 -12.310 20.439 -11.510 1.00 0.00 O ATOM 0 H GLY A 4 -12.650 18.318 -13.784 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.093 17.189 -11.618 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.677 18.220 -11.566 1.00 0.00 H new ATOM 37 N SER A 5 -13.470 18.853 -10.414 1.00 0.00 N ATOM 38 CA SER A 5 -14.328 19.805 -9.720 1.00 0.00 C ATOM 39 C SER A 5 -14.042 19.803 -8.221 1.00 0.00 C ATOM 40 O SER A 5 -14.622 20.582 -7.466 1.00 0.00 O ATOM 41 CB SER A 5 -15.801 19.473 -9.970 1.00 0.00 C ATOM 42 OG SER A 5 -16.024 18.075 -9.916 1.00 0.00 O ATOM 0 H SER A 5 -13.660 17.875 -10.194 1.00 0.00 H new ATOM 0 HA SER A 5 -14.115 20.800 -10.111 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.421 19.973 -9.226 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.103 19.855 -10.945 1.00 0.00 H new ATOM 0 HG SER A 5 -16.973 17.889 -10.077 1.00 0.00 H new ATOM 48 N SER A 6 -13.142 18.920 -7.798 1.00 0.00 N ATOM 49 CA SER A 6 -12.781 18.812 -6.390 1.00 0.00 C ATOM 50 C SER A 6 -11.434 19.477 -6.123 1.00 0.00 C ATOM 51 O SER A 6 -10.493 19.336 -6.903 1.00 0.00 O ATOM 52 CB SER A 6 -12.731 17.343 -5.965 1.00 0.00 C ATOM 53 OG SER A 6 -14.017 16.751 -6.025 1.00 0.00 O ATOM 0 H SER A 6 -12.650 18.270 -8.411 1.00 0.00 H new ATOM 0 HA SER A 6 -13.543 19.326 -5.804 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.045 16.797 -6.613 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.339 17.268 -4.951 1.00 0.00 H new ATOM 0 HG SER A 6 -13.958 15.812 -5.750 1.00 0.00 H new ATOM 59 N GLY A 7 -11.349 20.203 -5.012 1.00 0.00 N ATOM 60 CA GLY A 7 -10.114 20.879 -4.660 1.00 0.00 C ATOM 61 C GLY A 7 -9.160 19.983 -3.896 1.00 0.00 C ATOM 62 O GLY A 7 -9.177 19.950 -2.665 1.00 0.00 O ATOM 0 H GLY A 7 -12.113 20.335 -4.350 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.626 21.234 -5.568 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.343 21.758 -4.057 1.00 0.00 H new ATOM 66 N LYS A 8 -8.324 19.252 -4.626 1.00 0.00 N ATOM 67 CA LYS A 8 -7.358 18.350 -4.010 1.00 0.00 C ATOM 68 C LYS A 8 -6.641 19.031 -2.849 1.00 0.00 C ATOM 69 O LYS A 8 -6.320 20.218 -2.916 1.00 0.00 O ATOM 70 CB LYS A 8 -6.337 17.878 -5.048 1.00 0.00 C ATOM 71 CG LYS A 8 -6.815 16.700 -5.879 1.00 0.00 C ATOM 72 CD LYS A 8 -6.149 16.675 -7.245 1.00 0.00 C ATOM 73 CE LYS A 8 -6.777 15.628 -8.152 1.00 0.00 C ATOM 74 NZ LYS A 8 -6.063 15.523 -9.455 1.00 0.00 N ATOM 0 H LYS A 8 -8.296 19.267 -5.646 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.899 17.487 -3.623 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.097 18.708 -5.713 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.414 17.602 -4.538 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.601 15.771 -5.352 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.897 16.755 -6.001 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.232 17.658 -7.710 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.085 16.466 -7.129 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.764 14.660 -7.652 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.822 15.881 -8.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.521 14.799 -10.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.097 16.440 -9.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.072 15.256 -9.287 1.00 0.00 H new ATOM 88 N ILE A 9 -6.391 18.273 -1.787 1.00 0.00 N ATOM 89 CA ILE A 9 -5.709 18.804 -0.613 1.00 0.00 C ATOM 90 C ILE A 9 -4.252 19.127 -0.923 1.00 0.00 C ATOM 91 O ILE A 9 -3.743 20.179 -0.535 1.00 0.00 O ATOM 92 CB ILE A 9 -5.764 17.814 0.565 1.00 0.00 C ATOM 93 CG1 ILE A 9 -7.216 17.543 0.966 1.00 0.00 C ATOM 94 CG2 ILE A 9 -4.975 18.354 1.748 1.00 0.00 C ATOM 95 CD1 ILE A 9 -7.840 16.380 0.227 1.00 0.00 C ATOM 0 H ILE A 9 -6.650 17.289 -1.715 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.230 19.720 -0.333 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.312 16.873 0.250 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -7.258 17.347 2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.808 18.439 0.783 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.023 17.643 2.573 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.935 18.500 1.456 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.400 19.306 2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.869 16.246 0.562 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.830 16.582 -0.844 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.271 15.473 0.430 1.00 0.00 H new ATOM 107 N SER A 10 -3.586 18.217 -1.627 1.00 0.00 N ATOM 108 CA SER A 10 -2.186 18.405 -1.988 1.00 0.00 C ATOM 109 C SER A 10 -1.830 17.588 -3.227 1.00 0.00 C ATOM 110 O SER A 10 -2.514 16.622 -3.564 1.00 0.00 O ATOM 111 CB SER A 10 -1.279 18.006 -0.823 1.00 0.00 C ATOM 112 OG SER A 10 0.030 18.522 -0.996 1.00 0.00 O ATOM 0 H SER A 10 -3.993 17.343 -1.958 1.00 0.00 H new ATOM 0 HA SER A 10 -2.033 19.460 -2.213 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.699 18.377 0.112 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.238 16.920 -0.746 1.00 0.00 H new ATOM 0 HG SER A 10 0.544 18.394 -0.171 1.00 0.00 H new ATOM 118 N ASN A 11 -0.755 17.983 -3.900 1.00 0.00 N ATOM 119 CA ASN A 11 -0.307 17.288 -5.102 1.00 0.00 C ATOM 120 C ASN A 11 1.001 16.546 -4.846 1.00 0.00 C ATOM 121 O ASN A 11 1.859 16.460 -5.724 1.00 0.00 O ATOM 122 CB ASN A 11 -0.127 18.280 -6.252 1.00 0.00 C ATOM 123 CG ASN A 11 0.367 19.633 -5.777 1.00 0.00 C ATOM 124 OD1 ASN A 11 -0.377 20.396 -5.161 1.00 0.00 O ATOM 125 ND2 ASN A 11 1.628 19.936 -6.063 1.00 0.00 N ATOM 0 H ASN A 11 -0.177 18.781 -3.634 1.00 0.00 H new ATOM 0 HA ASN A 11 -1.070 16.559 -5.376 1.00 0.00 H new ATOM 0 HB2 ASN A 11 0.580 17.871 -6.974 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.077 18.405 -6.772 1.00 0.00 H new ATOM 0 HD21 ASN A 11 2.016 20.832 -5.770 1.00 0.00 H new ATOM 0 HD22 ASN A 11 2.208 19.272 -6.576 1.00 0.00 H new ATOM 132 N ILE A 12 1.145 16.011 -3.638 1.00 0.00 N ATOM 133 CA ILE A 12 2.347 15.275 -3.267 1.00 0.00 C ATOM 134 C ILE A 12 2.408 13.928 -3.980 1.00 0.00 C ATOM 135 O ILE A 12 3.489 13.412 -4.264 1.00 0.00 O ATOM 136 CB ILE A 12 2.418 15.042 -1.747 1.00 0.00 C ATOM 137 CG1 ILE A 12 1.206 14.234 -1.275 1.00 0.00 C ATOM 138 CG2 ILE A 12 2.494 16.371 -1.010 1.00 0.00 C ATOM 139 CD1 ILE A 12 1.197 13.974 0.215 1.00 0.00 C ATOM 0 H ILE A 12 0.444 16.074 -2.900 1.00 0.00 H new ATOM 0 HA ILE A 12 3.197 15.885 -3.573 1.00 0.00 H new ATOM 0 HB ILE A 12 3.320 14.473 -1.524 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.295 14.767 -1.548 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.188 13.280 -1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.544 16.189 0.064 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.385 16.913 -1.328 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.608 16.964 -1.237 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.311 13.397 0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.090 13.414 0.492 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.184 14.924 0.750 1.00 0.00 H new ATOM 151 N PHE A 13 1.240 13.364 -4.269 1.00 0.00 N ATOM 152 CA PHE A 13 1.160 12.077 -4.950 1.00 0.00 C ATOM 153 C PHE A 13 0.868 12.265 -6.436 1.00 0.00 C ATOM 154 O PHE A 13 0.452 11.330 -7.120 1.00 0.00 O ATOM 155 CB PHE A 13 0.077 11.205 -4.312 1.00 0.00 C ATOM 156 CG PHE A 13 0.264 10.999 -2.836 1.00 0.00 C ATOM 157 CD1 PHE A 13 1.535 10.904 -2.292 1.00 0.00 C ATOM 158 CD2 PHE A 13 -0.831 10.900 -1.992 1.00 0.00 C ATOM 159 CE1 PHE A 13 1.711 10.716 -0.934 1.00 0.00 C ATOM 160 CE2 PHE A 13 -0.661 10.712 -0.634 1.00 0.00 C ATOM 161 CZ PHE A 13 0.612 10.618 -0.104 1.00 0.00 C ATOM 0 H PHE A 13 0.336 13.778 -4.042 1.00 0.00 H new ATOM 0 HA PHE A 13 2.124 11.579 -4.848 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.896 11.664 -4.486 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.065 10.234 -4.807 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.398 10.978 -2.937 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.828 10.971 -2.401 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.707 10.646 -0.523 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.522 10.639 0.013 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.747 10.468 0.957 1.00 0.00 H new ATOM 171 N GLU A 14 1.090 13.480 -6.927 1.00 0.00 N ATOM 172 CA GLU A 14 0.849 13.791 -8.331 1.00 0.00 C ATOM 173 C GLU A 14 1.700 12.906 -9.238 1.00 0.00 C ATOM 174 O GLU A 14 2.903 12.757 -9.025 1.00 0.00 O ATOM 175 CB GLU A 14 1.151 15.265 -8.609 1.00 0.00 C ATOM 176 CG GLU A 14 0.592 15.762 -9.932 1.00 0.00 C ATOM 177 CD GLU A 14 -0.850 16.218 -9.821 1.00 0.00 C ATOM 178 OE1 GLU A 14 -1.754 15.364 -9.933 1.00 0.00 O ATOM 179 OE2 GLU A 14 -1.074 17.431 -9.622 1.00 0.00 O ATOM 0 H GLU A 14 1.436 14.264 -6.374 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.202 13.597 -8.545 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.740 15.870 -7.801 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.231 15.414 -8.602 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.204 16.589 -10.293 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.662 14.966 -10.674 1.00 0.00 H new ATOM 186 N ASP A 15 1.066 12.322 -10.248 1.00 0.00 N ATOM 187 CA ASP A 15 1.764 11.452 -11.188 1.00 0.00 C ATOM 188 C ASP A 15 2.304 10.212 -10.483 1.00 0.00 C ATOM 189 O ASP A 15 3.295 9.623 -10.913 1.00 0.00 O ATOM 190 CB ASP A 15 2.909 12.209 -11.863 1.00 0.00 C ATOM 191 CG ASP A 15 2.449 13.505 -12.501 1.00 0.00 C ATOM 192 OD1 ASP A 15 1.227 13.763 -12.508 1.00 0.00 O ATOM 193 OD2 ASP A 15 3.312 14.263 -12.993 1.00 0.00 O ATOM 0 H ASP A 15 0.070 12.435 -10.437 1.00 0.00 H new ATOM 0 HA ASP A 15 1.051 11.134 -11.948 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.682 12.425 -11.126 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.362 11.574 -12.624 1.00 0.00 H new ATOM 198 N VAL A 16 1.644 9.821 -9.397 1.00 0.00 N ATOM 199 CA VAL A 16 2.057 8.650 -8.632 1.00 0.00 C ATOM 200 C VAL A 16 0.943 7.611 -8.573 1.00 0.00 C ATOM 201 O VAL A 16 -0.177 7.911 -8.162 1.00 0.00 O ATOM 202 CB VAL A 16 2.464 9.033 -7.197 1.00 0.00 C ATOM 203 CG1 VAL A 16 2.987 7.817 -6.447 1.00 0.00 C ATOM 204 CG2 VAL A 16 3.503 10.144 -7.216 1.00 0.00 C ATOM 0 H VAL A 16 0.822 10.298 -9.027 1.00 0.00 H new ATOM 0 HA VAL A 16 2.919 8.224 -9.145 1.00 0.00 H new ATOM 0 HB VAL A 16 1.581 9.401 -6.674 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.270 8.107 -5.435 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.209 7.055 -6.402 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.858 7.416 -6.966 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.779 10.402 -6.193 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.387 9.806 -7.756 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.088 11.022 -7.712 1.00 0.00 H new ATOM 214 N GLU A 17 1.260 6.388 -8.985 1.00 0.00 N ATOM 215 CA GLU A 17 0.285 5.304 -8.979 1.00 0.00 C ATOM 216 C GLU A 17 0.217 4.641 -7.607 1.00 0.00 C ATOM 217 O GLU A 17 1.190 4.650 -6.852 1.00 0.00 O ATOM 218 CB GLU A 17 0.639 4.263 -10.044 1.00 0.00 C ATOM 219 CG GLU A 17 -0.520 3.353 -10.414 1.00 0.00 C ATOM 220 CD GLU A 17 -0.398 2.796 -11.819 1.00 0.00 C ATOM 221 OE1 GLU A 17 -0.132 3.585 -12.750 1.00 0.00 O ATOM 222 OE2 GLU A 17 -0.569 1.570 -11.988 1.00 0.00 O ATOM 0 H GLU A 17 2.184 6.123 -9.327 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.693 5.728 -9.207 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.987 4.776 -10.940 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.468 3.654 -9.683 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.571 2.528 -9.703 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.455 3.907 -10.327 1.00 0.00 H new ATOM 229 N PHE A 18 -0.938 4.066 -7.290 1.00 0.00 N ATOM 230 CA PHE A 18 -1.134 3.399 -6.008 1.00 0.00 C ATOM 231 C PHE A 18 -2.095 2.222 -6.149 1.00 0.00 C ATOM 232 O PHE A 18 -3.112 2.315 -6.838 1.00 0.00 O ATOM 233 CB PHE A 18 -1.670 4.388 -4.971 1.00 0.00 C ATOM 234 CG PHE A 18 -0.800 5.599 -4.792 1.00 0.00 C ATOM 235 CD1 PHE A 18 -0.986 6.725 -5.578 1.00 0.00 C ATOM 236 CD2 PHE A 18 0.205 5.611 -3.838 1.00 0.00 C ATOM 237 CE1 PHE A 18 -0.187 7.841 -5.415 1.00 0.00 C ATOM 238 CE2 PHE A 18 1.006 6.724 -3.671 1.00 0.00 C ATOM 239 CZ PHE A 18 0.811 7.840 -4.461 1.00 0.00 C ATOM 0 H PHE A 18 -1.753 4.048 -7.903 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.169 3.019 -5.673 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -2.668 4.709 -5.268 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -1.771 3.878 -4.013 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.764 6.731 -6.327 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.364 4.741 -3.218 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.343 8.713 -6.033 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.785 6.721 -2.923 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.438 8.710 -4.333 1.00 0.00 H new ATOM 249 N CYS A 19 -1.766 1.115 -5.492 1.00 0.00 N ATOM 250 CA CYS A 19 -2.598 -0.082 -5.544 1.00 0.00 C ATOM 251 C CYS A 19 -2.825 -0.648 -4.146 1.00 0.00 C ATOM 252 O CYS A 19 -1.892 -1.124 -3.499 1.00 0.00 O ATOM 253 CB CYS A 19 -1.950 -1.140 -6.437 1.00 0.00 C ATOM 254 SG CYS A 19 -0.191 -1.404 -6.112 1.00 0.00 S ATOM 0 H CYS A 19 -0.929 1.022 -4.917 1.00 0.00 H new ATOM 0 HA CYS A 19 -3.565 0.195 -5.965 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -2.478 -2.084 -6.305 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.076 -0.847 -7.479 1.00 0.00 H new ATOM 0 HG CYS A 19 0.270 -0.422 -5.397 1.00 0.00 H new ATOM 260 N VAL A 20 -4.070 -0.591 -3.685 1.00 0.00 N ATOM 261 CA VAL A 20 -4.420 -1.098 -2.363 1.00 0.00 C ATOM 262 C VAL A 20 -4.999 -2.505 -2.450 1.00 0.00 C ATOM 263 O VAL A 20 -5.774 -2.813 -3.355 1.00 0.00 O ATOM 264 CB VAL A 20 -5.436 -0.178 -1.661 1.00 0.00 C ATOM 265 CG1 VAL A 20 -5.627 -0.601 -0.212 1.00 0.00 C ATOM 266 CG2 VAL A 20 -4.989 1.273 -1.746 1.00 0.00 C ATOM 0 H VAL A 20 -4.854 -0.199 -4.207 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.500 -1.123 -1.779 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.395 -0.269 -2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.348 0.060 0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.996 -1.626 -0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.674 -0.541 0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.719 1.909 -1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.019 1.384 -1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.909 1.568 -2.792 1.00 0.00 H new ATOM 276 N MET A 21 -4.619 -3.355 -1.502 1.00 0.00 N ATOM 277 CA MET A 21 -5.102 -4.730 -1.470 1.00 0.00 C ATOM 278 C MET A 21 -6.020 -4.956 -0.273 1.00 0.00 C ATOM 279 O MET A 21 -6.989 -5.711 -0.355 1.00 0.00 O ATOM 280 CB MET A 21 -3.925 -5.706 -1.416 1.00 0.00 C ATOM 281 CG MET A 21 -3.109 -5.745 -2.698 1.00 0.00 C ATOM 282 SD MET A 21 -4.103 -6.161 -4.143 1.00 0.00 S ATOM 283 CE MET A 21 -3.336 -5.130 -5.391 1.00 0.00 C ATOM 0 H MET A 21 -3.978 -3.116 -0.746 1.00 0.00 H new ATOM 0 HA MET A 21 -5.672 -4.910 -2.382 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.272 -5.430 -0.588 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.303 -6.706 -1.205 1.00 0.00 H new ATOM 0 HG2 MET A 21 -2.638 -4.775 -2.853 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.307 -6.475 -2.591 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.886 -5.222 -6.327 1.00 0.00 H new ATOM 0 HE2 MET A 21 -3.350 -4.091 -5.063 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.305 -5.449 -5.543 1.00 0.00 H new ATOM 293 N SER A 22 -5.709 -4.297 0.839 1.00 0.00 N ATOM 294 CA SER A 22 -6.504 -4.430 2.054 1.00 0.00 C ATOM 295 C SER A 22 -6.117 -3.364 3.075 1.00 0.00 C ATOM 296 O SER A 22 -5.018 -2.813 3.028 1.00 0.00 O ATOM 297 CB SER A 22 -6.320 -5.823 2.659 1.00 0.00 C ATOM 298 OG SER A 22 -7.142 -5.995 3.801 1.00 0.00 O ATOM 0 H SER A 22 -4.912 -3.666 0.923 1.00 0.00 H new ATOM 0 HA SER A 22 -7.553 -4.292 1.790 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.563 -6.581 1.915 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.275 -5.969 2.934 1.00 0.00 H new ATOM 0 HG SER A 22 -7.008 -6.894 4.168 1.00 0.00 H new ATOM 304 N GLY A 23 -7.030 -3.079 3.998 1.00 0.00 N ATOM 305 CA GLY A 23 -6.767 -2.080 5.018 1.00 0.00 C ATOM 306 C GLY A 23 -6.836 -2.652 6.421 1.00 0.00 C ATOM 307 O GLY A 23 -6.692 -3.859 6.616 1.00 0.00 O ATOM 0 H GLY A 23 -7.947 -3.522 4.058 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.780 -1.648 4.853 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.490 -1.269 4.923 1.00 0.00 H new ATOM 311 N THR A 24 -7.055 -1.782 7.402 1.00 0.00 N ATOM 312 CA THR A 24 -7.140 -2.207 8.794 1.00 0.00 C ATOM 313 C THR A 24 -8.477 -1.809 9.409 1.00 0.00 C ATOM 314 O THR A 24 -9.323 -1.211 8.745 1.00 0.00 O ATOM 315 CB THR A 24 -6.000 -1.602 9.636 1.00 0.00 C ATOM 316 OG1 THR A 24 -5.876 -0.203 9.360 1.00 0.00 O ATOM 317 CG2 THR A 24 -4.681 -2.301 9.342 1.00 0.00 C ATOM 0 H THR A 24 -7.177 -0.779 7.259 1.00 0.00 H new ATOM 0 HA THR A 24 -7.049 -3.293 8.800 1.00 0.00 H new ATOM 0 HB THR A 24 -6.242 -1.744 10.689 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.151 0.174 9.900 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.891 -1.857 9.948 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.770 -3.361 9.581 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.436 -2.187 8.286 1.00 0.00 H new ATOM 325 N ASP A 25 -8.660 -2.144 10.682 1.00 0.00 N ATOM 326 CA ASP A 25 -9.894 -1.820 11.388 1.00 0.00 C ATOM 327 C ASP A 25 -10.195 -0.327 11.298 1.00 0.00 C ATOM 328 O ASP A 25 -11.153 0.084 10.643 1.00 0.00 O ATOM 329 CB ASP A 25 -9.795 -2.246 12.854 1.00 0.00 C ATOM 330 CG ASP A 25 -9.020 -3.537 13.030 1.00 0.00 C ATOM 331 OD1 ASP A 25 -9.157 -4.434 12.172 1.00 0.00 O ATOM 332 OD2 ASP A 25 -8.275 -3.649 14.026 1.00 0.00 O ATOM 0 H ASP A 25 -7.969 -2.640 11.246 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.709 -2.366 10.914 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.312 -1.455 13.428 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.798 -2.369 13.262 1.00 0.00 H new ATOM 337 N SER A 26 -9.372 0.478 11.962 1.00 0.00 N ATOM 338 CA SER A 26 -9.554 1.925 11.962 1.00 0.00 C ATOM 339 C SER A 26 -9.806 2.441 10.548 1.00 0.00 C ATOM 340 O SER A 26 -10.772 3.162 10.303 1.00 0.00 O ATOM 341 CB SER A 26 -8.324 2.615 12.556 1.00 0.00 C ATOM 342 OG SER A 26 -8.676 3.839 13.176 1.00 0.00 O ATOM 0 H SER A 26 -8.573 0.153 12.507 1.00 0.00 H new ATOM 0 HA SER A 26 -10.424 2.157 12.576 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.851 1.957 13.285 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.591 2.799 11.770 1.00 0.00 H new ATOM 0 HG SER A 26 -7.873 4.259 13.549 1.00 0.00 H new ATOM 348 N GLN A 27 -8.930 2.064 9.622 1.00 0.00 N ATOM 349 CA GLN A 27 -9.056 2.488 8.233 1.00 0.00 C ATOM 350 C GLN A 27 -9.307 1.293 7.320 1.00 0.00 C ATOM 351 O GLN A 27 -8.472 0.398 7.185 1.00 0.00 O ATOM 352 CB GLN A 27 -7.795 3.231 7.788 1.00 0.00 C ATOM 353 CG GLN A 27 -7.644 4.606 8.418 1.00 0.00 C ATOM 354 CD GLN A 27 -6.889 4.566 9.731 1.00 0.00 C ATOM 355 OE1 GLN A 27 -6.266 3.560 10.072 1.00 0.00 O ATOM 356 NE2 GLN A 27 -6.939 5.664 10.477 1.00 0.00 N ATOM 0 H GLN A 27 -8.125 1.466 9.809 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.910 3.162 8.161 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.922 2.629 8.037 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.810 3.337 6.703 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.123 5.264 7.723 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.632 5.036 8.584 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.467 6.475 10.156 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.449 5.696 11.371 1.00 0.00 H new ATOM 365 N PRO A 28 -10.484 1.276 6.676 1.00 0.00 N ATOM 366 CA PRO A 28 -10.871 0.196 5.764 1.00 0.00 C ATOM 367 C PRO A 28 -10.056 0.205 4.475 1.00 0.00 C ATOM 368 O PRO A 28 -9.260 1.114 4.238 1.00 0.00 O ATOM 369 CB PRO A 28 -12.343 0.493 5.468 1.00 0.00 C ATOM 370 CG PRO A 28 -12.485 1.960 5.685 1.00 0.00 C ATOM 371 CD PRO A 28 -11.526 2.309 6.790 1.00 0.00 C ATOM 0 HA PRO A 28 -10.700 -0.788 6.201 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.605 0.217 4.447 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -13.001 -0.070 6.129 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.251 2.514 4.776 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.508 2.217 5.960 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.115 3.310 6.664 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.011 2.284 7.766 1.00 0.00 H new ATOM 379 N LYS A 29 -10.260 -0.812 3.645 1.00 0.00 N ATOM 380 CA LYS A 29 -9.545 -0.921 2.378 1.00 0.00 C ATOM 381 C LYS A 29 -9.763 0.322 1.522 1.00 0.00 C ATOM 382 O LYS A 29 -8.822 1.028 1.159 1.00 0.00 O ATOM 383 CB LYS A 29 -10.004 -2.166 1.616 1.00 0.00 C ATOM 384 CG LYS A 29 -9.980 -1.997 0.106 1.00 0.00 C ATOM 385 CD LYS A 29 -10.440 -3.260 -0.603 1.00 0.00 C ATOM 386 CE LYS A 29 -9.908 -3.325 -2.027 1.00 0.00 C ATOM 387 NZ LYS A 29 -10.748 -2.536 -2.969 1.00 0.00 N ATOM 0 H LYS A 29 -10.915 -1.573 3.826 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.481 -1.008 2.596 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.365 -3.006 1.890 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.017 -2.421 1.929 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.623 -1.164 -0.178 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.970 -1.744 -0.217 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.102 -4.134 -0.047 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.529 -3.294 -0.619 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.885 -2.949 -2.050 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.873 -4.364 -2.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.616 -2.895 -3.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.749 -2.626 -2.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.467 -1.535 -2.930 1.00 0.00 H new ATOM 401 N PRO A 30 -11.033 0.599 1.191 1.00 0.00 N ATOM 402 CA PRO A 30 -11.404 1.759 0.376 1.00 0.00 C ATOM 403 C PRO A 30 -11.207 3.076 1.118 1.00 0.00 C ATOM 404 O PRO A 30 -11.712 4.118 0.697 1.00 0.00 O ATOM 405 CB PRO A 30 -12.889 1.527 0.083 1.00 0.00 C ATOM 406 CG PRO A 30 -13.368 0.675 1.207 1.00 0.00 C ATOM 407 CD PRO A 30 -12.205 -0.199 1.589 1.00 0.00 C ATOM 0 HA PRO A 30 -10.787 1.842 -0.519 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -13.436 2.469 0.039 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.030 1.032 -0.878 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.690 1.286 2.050 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.225 0.074 0.903 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.199 -0.416 2.657 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.234 -1.157 1.069 1.00 0.00 H new ATOM 415 N ASP A 31 -10.471 3.023 2.222 1.00 0.00 N ATOM 416 CA ASP A 31 -10.207 4.214 3.022 1.00 0.00 C ATOM 417 C ASP A 31 -9.144 5.087 2.362 1.00 0.00 C ATOM 418 O ASP A 31 -9.329 6.294 2.203 1.00 0.00 O ATOM 419 CB ASP A 31 -9.757 3.818 4.430 1.00 0.00 C ATOM 420 CG ASP A 31 -9.963 4.932 5.438 1.00 0.00 C ATOM 421 OD1 ASP A 31 -10.620 5.934 5.087 1.00 0.00 O ATOM 422 OD2 ASP A 31 -9.467 4.801 6.577 1.00 0.00 O ATOM 0 H ASP A 31 -10.047 2.169 2.584 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.131 4.788 3.091 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.310 2.935 4.750 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.703 3.543 4.407 1.00 0.00 H new ATOM 427 N LEU A 32 -8.032 4.469 1.980 1.00 0.00 N ATOM 428 CA LEU A 32 -6.939 5.190 1.338 1.00 0.00 C ATOM 429 C LEU A 32 -7.280 5.517 -0.113 1.00 0.00 C ATOM 430 O LEU A 32 -6.966 6.601 -0.605 1.00 0.00 O ATOM 431 CB LEU A 32 -5.652 4.365 1.397 1.00 0.00 C ATOM 432 CG LEU A 32 -5.396 3.615 2.705 1.00 0.00 C ATOM 433 CD1 LEU A 32 -4.611 2.339 2.444 1.00 0.00 C ATOM 434 CD2 LEU A 32 -4.658 4.504 3.694 1.00 0.00 C ATOM 0 H LEU A 32 -7.864 3.471 2.104 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.789 6.125 1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.671 3.640 0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.809 5.030 1.212 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.358 3.343 3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.438 1.819 3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.178 1.694 1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.654 2.588 1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.485 3.954 4.619 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.702 4.807 3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.258 5.389 3.906 1.00 0.00 H new ATOM 446 N GLU A 33 -7.926 4.573 -0.790 1.00 0.00 N ATOM 447 CA GLU A 33 -8.310 4.762 -2.184 1.00 0.00 C ATOM 448 C GLU A 33 -8.870 6.164 -2.408 1.00 0.00 C ATOM 449 O GLU A 33 -8.532 6.830 -3.386 1.00 0.00 O ATOM 450 CB GLU A 33 -9.347 3.715 -2.597 1.00 0.00 C ATOM 451 CG GLU A 33 -8.895 2.285 -2.358 1.00 0.00 C ATOM 452 CD GLU A 33 -9.686 1.279 -3.173 1.00 0.00 C ATOM 453 OE1 GLU A 33 -10.180 1.651 -4.258 1.00 0.00 O ATOM 454 OE2 GLU A 33 -9.811 0.120 -2.725 1.00 0.00 O ATOM 0 H GLU A 33 -8.194 3.671 -0.397 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.418 4.642 -2.800 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.270 3.893 -2.045 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.578 3.842 -3.655 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.837 2.196 -2.605 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.996 2.048 -1.299 1.00 0.00 H new ATOM 461 N ASN A 34 -9.729 6.605 -1.495 1.00 0.00 N ATOM 462 CA ASN A 34 -10.337 7.927 -1.593 1.00 0.00 C ATOM 463 C ASN A 34 -9.322 9.019 -1.265 1.00 0.00 C ATOM 464 O ASN A 34 -9.059 9.901 -2.082 1.00 0.00 O ATOM 465 CB ASN A 34 -11.537 8.031 -0.649 1.00 0.00 C ATOM 466 CG ASN A 34 -12.798 7.443 -1.252 1.00 0.00 C ATOM 467 OD1 ASN A 34 -13.055 7.587 -2.447 1.00 0.00 O ATOM 468 ND2 ASN A 34 -13.594 6.776 -0.424 1.00 0.00 N ATOM 0 H ASN A 34 -10.020 6.066 -0.679 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.677 8.068 -2.619 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.308 7.515 0.283 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.710 9.078 -0.400 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.457 6.359 -0.772 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -13.342 6.681 0.560 1.00 0.00 H new ATOM 475 N ARG A 35 -8.756 8.951 -0.065 1.00 0.00 N ATOM 476 CA ARG A 35 -7.771 9.933 0.372 1.00 0.00 C ATOM 477 C ARG A 35 -6.702 10.142 -0.697 1.00 0.00 C ATOM 478 O ARG A 35 -6.531 11.248 -1.210 1.00 0.00 O ATOM 479 CB ARG A 35 -7.119 9.485 1.681 1.00 0.00 C ATOM 480 CG ARG A 35 -8.052 9.546 2.879 1.00 0.00 C ATOM 481 CD ARG A 35 -8.017 10.912 3.545 1.00 0.00 C ATOM 482 NE ARG A 35 -8.824 11.893 2.824 1.00 0.00 N ATOM 483 CZ ARG A 35 -8.929 13.167 3.186 1.00 0.00 C ATOM 484 NH1 ARG A 35 -8.280 13.612 4.254 1.00 0.00 N ATOM 485 NH2 ARG A 35 -9.683 13.999 2.480 1.00 0.00 N ATOM 0 H ARG A 35 -8.963 8.226 0.622 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.286 10.880 0.537 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.757 8.464 1.565 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.249 10.112 1.877 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.070 9.322 2.560 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.768 8.781 3.601 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.381 10.826 4.569 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.986 11.262 3.601 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.335 11.583 1.997 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.699 12.976 4.799 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.362 14.591 4.530 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.183 13.661 1.658 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.763 14.977 2.759 1.00 0.00 H new ATOM 499 N ILE A 36 -5.985 9.073 -1.026 1.00 0.00 N ATOM 500 CA ILE A 36 -4.933 9.140 -2.033 1.00 0.00 C ATOM 501 C ILE A 36 -5.359 10.002 -3.216 1.00 0.00 C ATOM 502 O ILE A 36 -4.726 11.012 -3.521 1.00 0.00 O ATOM 503 CB ILE A 36 -4.553 7.738 -2.544 1.00 0.00 C ATOM 504 CG1 ILE A 36 -3.818 6.955 -1.453 1.00 0.00 C ATOM 505 CG2 ILE A 36 -3.696 7.844 -3.796 1.00 0.00 C ATOM 506 CD1 ILE A 36 -3.720 5.472 -1.735 1.00 0.00 C ATOM 0 H ILE A 36 -6.113 8.150 -0.610 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.064 9.590 -1.553 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.467 7.201 -2.798 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.813 7.362 -1.339 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.331 7.103 -0.503 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.436 6.845 -4.145 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.252 8.366 -4.574 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.785 8.397 -3.568 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.187 4.981 -0.921 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.722 5.051 -1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.180 5.314 -2.669 1.00 0.00 H new ATOM 518 N ALA A 37 -6.437 9.596 -3.879 1.00 0.00 N ATOM 519 CA ALA A 37 -6.950 10.333 -5.027 1.00 0.00 C ATOM 520 C ALA A 37 -7.086 11.819 -4.709 1.00 0.00 C ATOM 521 O ALA A 37 -6.666 12.670 -5.492 1.00 0.00 O ATOM 522 CB ALA A 37 -8.290 9.761 -5.465 1.00 0.00 C ATOM 0 H ALA A 37 -6.972 8.761 -3.641 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.237 10.226 -5.844 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.662 10.321 -6.323 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.166 8.714 -5.741 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -9.004 9.838 -4.645 1.00 0.00 H new ATOM 528 N GLU A 38 -7.675 12.121 -3.557 1.00 0.00 N ATOM 529 CA GLU A 38 -7.866 13.505 -3.138 1.00 0.00 C ATOM 530 C GLU A 38 -6.535 14.250 -3.094 1.00 0.00 C ATOM 531 O GLU A 38 -6.494 15.477 -3.182 1.00 0.00 O ATOM 532 CB GLU A 38 -8.538 13.557 -1.764 1.00 0.00 C ATOM 533 CG GLU A 38 -9.940 12.971 -1.749 1.00 0.00 C ATOM 534 CD GLU A 38 -10.788 13.517 -0.617 1.00 0.00 C ATOM 535 OE1 GLU A 38 -11.115 14.722 -0.650 1.00 0.00 O ATOM 536 OE2 GLU A 38 -11.126 12.740 0.300 1.00 0.00 O ATOM 0 H GLU A 38 -8.028 11.427 -2.898 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.511 13.993 -3.869 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.920 13.017 -1.046 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.583 14.594 -1.430 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.429 13.184 -2.700 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.876 11.887 -1.659 1.00 0.00 H new ATOM 543 N PHE A 39 -5.448 13.498 -2.957 1.00 0.00 N ATOM 544 CA PHE A 39 -4.114 14.086 -2.899 1.00 0.00 C ATOM 545 C PHE A 39 -3.447 14.056 -4.271 1.00 0.00 C ATOM 546 O PHE A 39 -2.223 14.109 -4.380 1.00 0.00 O ATOM 547 CB PHE A 39 -3.248 13.339 -1.882 1.00 0.00 C ATOM 548 CG PHE A 39 -3.395 13.853 -0.478 1.00 0.00 C ATOM 549 CD1 PHE A 39 -4.551 13.608 0.246 1.00 0.00 C ATOM 550 CD2 PHE A 39 -2.378 14.582 0.117 1.00 0.00 C ATOM 551 CE1 PHE A 39 -4.689 14.079 1.538 1.00 0.00 C ATOM 552 CE2 PHE A 39 -2.511 15.055 1.408 1.00 0.00 C ATOM 553 CZ PHE A 39 -3.668 14.805 2.120 1.00 0.00 C ATOM 0 H PHE A 39 -5.464 12.481 -2.884 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.215 15.125 -2.586 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.509 12.281 -1.902 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.203 13.416 -2.181 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.353 13.043 -0.205 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.471 14.783 -0.435 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.594 13.880 2.092 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.710 15.621 1.861 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.774 15.176 3.129 1.00 0.00 H new ATOM 563 N GLY A 40 -4.263 13.968 -5.318 1.00 0.00 N ATOM 564 CA GLY A 40 -3.735 13.932 -6.669 1.00 0.00 C ATOM 565 C GLY A 40 -3.018 12.632 -6.976 1.00 0.00 C ATOM 566 O GLY A 40 -1.958 12.632 -7.600 1.00 0.00 O ATOM 0 H GLY A 40 -5.280 13.921 -5.254 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.551 14.070 -7.379 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.046 14.765 -6.809 1.00 0.00 H new ATOM 570 N GLY A 41 -3.598 11.520 -6.535 1.00 0.00 N ATOM 571 CA GLY A 41 -2.993 10.222 -6.775 1.00 0.00 C ATOM 572 C GLY A 41 -3.885 9.309 -7.592 1.00 0.00 C ATOM 573 O GLY A 41 -5.070 9.588 -7.776 1.00 0.00 O ATOM 0 H GLY A 41 -4.476 11.494 -6.016 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.044 10.357 -7.294 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.769 9.747 -5.820 1.00 0.00 H new ATOM 577 N TYR A 42 -3.315 8.215 -8.086 1.00 0.00 N ATOM 578 CA TYR A 42 -4.065 7.260 -8.892 1.00 0.00 C ATOM 579 C TYR A 42 -4.272 5.952 -8.134 1.00 0.00 C ATOM 580 O TYR A 42 -3.373 5.473 -7.442 1.00 0.00 O ATOM 581 CB TYR A 42 -3.336 6.989 -10.209 1.00 0.00 C ATOM 582 CG TYR A 42 -4.244 6.497 -11.314 1.00 0.00 C ATOM 583 CD1 TYR A 42 -5.018 7.385 -12.050 1.00 0.00 C ATOM 584 CD2 TYR A 42 -4.328 5.145 -11.620 1.00 0.00 C ATOM 585 CE1 TYR A 42 -5.850 6.940 -13.060 1.00 0.00 C ATOM 586 CE2 TYR A 42 -5.156 4.691 -12.628 1.00 0.00 C ATOM 587 CZ TYR A 42 -5.915 5.592 -13.345 1.00 0.00 C ATOM 588 OH TYR A 42 -6.741 5.144 -14.350 1.00 0.00 O ATOM 0 H TYR A 42 -2.336 7.968 -7.942 1.00 0.00 H new ATOM 0 HA TYR A 42 -5.042 7.693 -9.107 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.842 7.904 -10.536 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -2.554 6.249 -10.036 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -4.969 8.441 -11.829 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.736 4.436 -11.060 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.446 7.644 -13.623 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -5.209 3.636 -12.853 1.00 0.00 H new ATOM 0 HH TYR A 42 -6.669 4.169 -14.423 1.00 0.00 H new ATOM 598 N ILE A 43 -5.463 5.379 -8.271 1.00 0.00 N ATOM 599 CA ILE A 43 -5.789 4.126 -7.602 1.00 0.00 C ATOM 600 C ILE A 43 -6.195 3.054 -8.608 1.00 0.00 C ATOM 601 O ILE A 43 -7.203 3.189 -9.301 1.00 0.00 O ATOM 602 CB ILE A 43 -6.926 4.312 -6.580 1.00 0.00 C ATOM 603 CG1 ILE A 43 -6.533 5.355 -5.532 1.00 0.00 C ATOM 604 CG2 ILE A 43 -7.263 2.986 -5.915 1.00 0.00 C ATOM 605 CD1 ILE A 43 -5.420 4.900 -4.614 1.00 0.00 C ATOM 0 H ILE A 43 -6.218 5.763 -8.839 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.889 3.806 -7.077 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.812 4.668 -7.105 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.224 6.269 -6.039 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.409 5.604 -4.932 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.068 3.134 -5.195 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.580 2.269 -6.672 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.382 2.603 -5.400 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.194 5.689 -3.897 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.733 4.003 -4.079 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.530 4.679 -5.203 1.00 0.00 H new ATOM 617 N VAL A 44 -5.404 1.989 -8.682 1.00 0.00 N ATOM 618 CA VAL A 44 -5.682 0.892 -9.601 1.00 0.00 C ATOM 619 C VAL A 44 -6.182 -0.339 -8.853 1.00 0.00 C ATOM 620 O VAL A 44 -6.281 -0.333 -7.627 1.00 0.00 O ATOM 621 CB VAL A 44 -4.431 0.511 -10.416 1.00 0.00 C ATOM 622 CG1 VAL A 44 -3.930 1.705 -11.214 1.00 0.00 C ATOM 623 CG2 VAL A 44 -3.342 -0.024 -9.499 1.00 0.00 C ATOM 0 H VAL A 44 -4.565 1.862 -8.116 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.458 1.240 -10.282 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.701 -0.277 -11.119 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.046 1.417 -11.783 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.710 2.038 -11.899 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.674 2.517 -10.533 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.466 -0.288 -10.091 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.071 0.741 -8.771 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.708 -0.908 -8.977 1.00 0.00 H new ATOM 633 N GLN A 45 -6.496 -1.392 -9.601 1.00 0.00 N ATOM 634 CA GLN A 45 -6.986 -2.630 -9.007 1.00 0.00 C ATOM 635 C GLN A 45 -5.865 -3.658 -8.888 1.00 0.00 C ATOM 636 O GLN A 45 -5.736 -4.333 -7.868 1.00 0.00 O ATOM 637 CB GLN A 45 -8.131 -3.203 -9.844 1.00 0.00 C ATOM 638 CG GLN A 45 -9.387 -2.346 -9.824 1.00 0.00 C ATOM 639 CD GLN A 45 -9.726 -1.839 -8.436 1.00 0.00 C ATOM 640 OE1 GLN A 45 -10.225 -2.587 -7.595 1.00 0.00 O ATOM 641 NE2 GLN A 45 -9.456 -0.562 -8.189 1.00 0.00 N ATOM 0 H GLN A 45 -6.420 -1.413 -10.618 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.354 -2.403 -8.006 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.795 -3.317 -10.875 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.375 -4.200 -9.477 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -9.253 -1.497 -10.494 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.225 -2.927 -10.209 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.042 0.022 -8.916 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.662 -0.165 -7.272 1.00 0.00 H new ATOM 650 N ASN A 46 -5.057 -3.770 -9.937 1.00 0.00 N ATOM 651 CA ASN A 46 -3.947 -4.716 -9.950 1.00 0.00 C ATOM 652 C ASN A 46 -2.632 -4.008 -10.259 1.00 0.00 C ATOM 653 O ASN A 46 -2.560 -3.126 -11.115 1.00 0.00 O ATOM 654 CB ASN A 46 -4.201 -5.818 -10.980 1.00 0.00 C ATOM 655 CG ASN A 46 -4.508 -5.262 -12.357 1.00 0.00 C ATOM 656 OD1 ASN A 46 -4.224 -4.100 -12.647 1.00 0.00 O ATOM 657 ND2 ASN A 46 -5.090 -6.093 -13.214 1.00 0.00 N ATOM 0 H ASN A 46 -5.150 -3.217 -10.789 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.873 -5.164 -8.959 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.326 -6.465 -11.039 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.034 -6.438 -10.647 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.320 -5.776 -14.156 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.307 -7.048 -12.930 1.00 0.00 H new ATOM 664 N PRO A 47 -1.566 -4.402 -9.548 1.00 0.00 N ATOM 665 CA PRO A 47 -0.233 -3.819 -9.730 1.00 0.00 C ATOM 666 C PRO A 47 0.392 -4.207 -11.065 1.00 0.00 C ATOM 667 O PRO A 47 0.288 -5.353 -11.501 1.00 0.00 O ATOM 668 CB PRO A 47 0.573 -4.409 -8.570 1.00 0.00 C ATOM 669 CG PRO A 47 -0.119 -5.686 -8.238 1.00 0.00 C ATOM 670 CD PRO A 47 -1.579 -5.448 -8.511 1.00 0.00 C ATOM 0 HA PRO A 47 -0.262 -2.729 -9.736 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.610 -4.584 -8.857 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.589 -3.733 -7.715 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.263 -6.506 -8.845 1.00 0.00 H new ATOM 0 HG3 PRO A 47 0.044 -5.959 -7.195 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.075 -6.354 -8.860 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.107 -5.120 -7.616 1.00 0.00 H new ATOM 678 N GLY A 48 1.042 -3.244 -11.712 1.00 0.00 N ATOM 679 CA GLY A 48 1.674 -3.505 -12.991 1.00 0.00 C ATOM 680 C GLY A 48 3.066 -2.912 -13.082 1.00 0.00 C ATOM 681 O GLY A 48 3.686 -2.571 -12.074 1.00 0.00 O ATOM 0 H GLY A 48 1.142 -2.287 -11.372 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.730 -4.582 -13.152 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.055 -3.095 -13.789 1.00 0.00 H new ATOM 685 N PRO A 49 3.580 -2.783 -14.314 1.00 0.00 N ATOM 686 CA PRO A 49 4.914 -2.228 -14.562 1.00 0.00 C ATOM 687 C PRO A 49 4.983 -0.733 -14.270 1.00 0.00 C ATOM 688 O PRO A 49 6.057 -0.192 -14.004 1.00 0.00 O ATOM 689 CB PRO A 49 5.137 -2.493 -16.052 1.00 0.00 C ATOM 690 CG PRO A 49 3.768 -2.572 -16.633 1.00 0.00 C ATOM 691 CD PRO A 49 2.898 -3.169 -15.561 1.00 0.00 C ATOM 0 HA PRO A 49 5.669 -2.678 -13.918 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.717 -1.694 -16.513 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.688 -3.420 -16.211 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.409 -1.584 -16.922 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.760 -3.190 -17.531 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.882 -2.775 -15.602 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.824 -4.252 -15.660 1.00 0.00 H new ATOM 699 N ASP A 50 3.833 -0.071 -14.322 1.00 0.00 N ATOM 700 CA ASP A 50 3.763 1.362 -14.061 1.00 0.00 C ATOM 701 C ASP A 50 3.056 1.640 -12.738 1.00 0.00 C ATOM 702 O ASP A 50 2.201 2.522 -12.652 1.00 0.00 O ATOM 703 CB ASP A 50 3.035 2.074 -15.203 1.00 0.00 C ATOM 704 CG ASP A 50 3.942 2.351 -16.385 1.00 0.00 C ATOM 705 OD1 ASP A 50 4.627 3.395 -16.375 1.00 0.00 O ATOM 706 OD2 ASP A 50 3.967 1.524 -17.321 1.00 0.00 O ATOM 0 H ASP A 50 2.936 -0.504 -14.543 1.00 0.00 H new ATOM 0 HA ASP A 50 4.781 1.745 -13.995 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.193 1.463 -15.530 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.623 3.014 -14.837 1.00 0.00 H new ATOM 711 N THR A 51 3.418 0.881 -11.709 1.00 0.00 N ATOM 712 CA THR A 51 2.818 1.044 -10.391 1.00 0.00 C ATOM 713 C THR A 51 3.873 1.386 -9.345 1.00 0.00 C ATOM 714 O THR A 51 4.970 0.827 -9.350 1.00 0.00 O ATOM 715 CB THR A 51 2.070 -0.230 -9.953 1.00 0.00 C ATOM 716 OG1 THR A 51 1.070 -0.568 -10.920 1.00 0.00 O ATOM 717 CG2 THR A 51 1.421 -0.035 -8.591 1.00 0.00 C ATOM 0 H THR A 51 4.124 0.147 -11.763 1.00 0.00 H new ATOM 0 HA THR A 51 2.106 1.866 -10.467 1.00 0.00 H new ATOM 0 HB THR A 51 2.793 -1.042 -9.880 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.581 0.240 -11.181 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.899 -0.947 -8.303 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.189 0.193 -7.851 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.710 0.789 -8.642 1.00 0.00 H new ATOM 725 N TYR A 52 3.534 2.305 -8.448 1.00 0.00 N ATOM 726 CA TYR A 52 4.453 2.722 -7.396 1.00 0.00 C ATOM 727 C TYR A 52 4.710 1.583 -6.414 1.00 0.00 C ATOM 728 O TYR A 52 5.812 1.035 -6.357 1.00 0.00 O ATOM 729 CB TYR A 52 3.892 3.935 -6.651 1.00 0.00 C ATOM 730 CG TYR A 52 4.938 4.710 -5.882 1.00 0.00 C ATOM 731 CD1 TYR A 52 5.958 5.383 -6.542 1.00 0.00 C ATOM 732 CD2 TYR A 52 4.905 4.769 -4.494 1.00 0.00 C ATOM 733 CE1 TYR A 52 6.916 6.091 -5.843 1.00 0.00 C ATOM 734 CE2 TYR A 52 5.858 5.477 -3.787 1.00 0.00 C ATOM 735 CZ TYR A 52 6.862 6.135 -4.466 1.00 0.00 C ATOM 736 OH TYR A 52 7.814 6.841 -3.766 1.00 0.00 O ATOM 0 H TYR A 52 2.629 2.775 -8.428 1.00 0.00 H new ATOM 0 HA TYR A 52 5.399 2.996 -7.863 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.412 4.601 -7.368 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.118 3.600 -5.960 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.003 5.352 -7.621 1.00 0.00 H new ATOM 0 HD2 TYR A 52 4.122 4.253 -3.959 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.703 6.607 -6.372 1.00 0.00 H new ATOM 0 HE2 TYR A 52 5.817 5.515 -2.708 1.00 0.00 H new ATOM 0 HH TYR A 52 7.377 7.528 -3.221 1.00 0.00 H new ATOM 746 N CYS A 53 3.687 1.232 -5.644 1.00 0.00 N ATOM 747 CA CYS A 53 3.801 0.158 -4.664 1.00 0.00 C ATOM 748 C CYS A 53 2.423 -0.290 -4.185 1.00 0.00 C ATOM 749 O CYS A 53 1.418 0.370 -4.450 1.00 0.00 O ATOM 750 CB CYS A 53 4.645 0.614 -3.473 1.00 0.00 C ATOM 751 SG CYS A 53 3.839 1.848 -2.427 1.00 0.00 S ATOM 0 H CYS A 53 2.769 1.675 -5.679 1.00 0.00 H new ATOM 0 HA CYS A 53 4.291 -0.689 -5.145 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.895 -0.255 -2.864 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.584 1.025 -3.843 1.00 0.00 H new ATOM 0 HG CYS A 53 4.630 2.169 -1.447 1.00 0.00 H new ATOM 757 N VAL A 54 2.385 -1.415 -3.479 1.00 0.00 N ATOM 758 CA VAL A 54 1.131 -1.952 -2.964 1.00 0.00 C ATOM 759 C VAL A 54 0.911 -1.537 -1.513 1.00 0.00 C ATOM 760 O VAL A 54 1.865 -1.281 -0.779 1.00 0.00 O ATOM 761 CB VAL A 54 1.097 -3.489 -3.057 1.00 0.00 C ATOM 762 CG1 VAL A 54 -0.288 -4.014 -2.713 1.00 0.00 C ATOM 763 CG2 VAL A 54 1.521 -3.947 -4.444 1.00 0.00 C ATOM 0 H VAL A 54 3.208 -1.972 -3.250 1.00 0.00 H new ATOM 0 HA VAL A 54 0.333 -1.541 -3.583 1.00 0.00 H new ATOM 0 HB VAL A 54 1.803 -3.896 -2.333 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.293 -5.102 -2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.548 -3.716 -1.697 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.017 -3.602 -3.411 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.491 -5.036 -4.493 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.841 -3.532 -5.188 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.535 -3.602 -4.647 1.00 0.00 H new ATOM 773 N ILE A 55 -0.353 -1.473 -1.107 1.00 0.00 N ATOM 774 CA ILE A 55 -0.698 -1.090 0.256 1.00 0.00 C ATOM 775 C ILE A 55 -1.614 -2.124 0.902 1.00 0.00 C ATOM 776 O ILE A 55 -2.826 -2.113 0.691 1.00 0.00 O ATOM 777 CB ILE A 55 -1.387 0.286 0.298 1.00 0.00 C ATOM 778 CG1 ILE A 55 -0.566 1.316 -0.482 1.00 0.00 C ATOM 779 CG2 ILE A 55 -1.584 0.737 1.737 1.00 0.00 C ATOM 780 CD1 ILE A 55 0.788 1.597 0.131 1.00 0.00 C ATOM 0 H ILE A 55 -1.154 -1.681 -1.703 1.00 0.00 H new ATOM 0 HA ILE A 55 0.237 -1.036 0.814 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.367 0.199 -0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.427 0.960 -1.503 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.129 2.247 -0.543 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.072 1.711 1.749 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.206 0.013 2.263 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.615 0.810 2.231 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.315 2.335 -0.473 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.657 1.983 1.142 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.370 0.676 0.167 1.00 0.00 H new ATOM 792 N ALA A 56 -1.025 -3.017 1.692 1.00 0.00 N ATOM 793 CA ALA A 56 -1.788 -4.056 2.373 1.00 0.00 C ATOM 794 C ALA A 56 -1.374 -4.171 3.836 1.00 0.00 C ATOM 795 O ALA A 56 -0.198 -4.351 4.146 1.00 0.00 O ATOM 796 CB ALA A 56 -1.610 -5.390 1.664 1.00 0.00 C ATOM 0 H ALA A 56 -0.022 -3.041 1.876 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.842 -3.779 2.343 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.185 -6.157 2.183 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.962 -5.305 0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.555 -5.665 1.665 1.00 0.00 H new ATOM 802 N GLY A 57 -2.351 -4.067 4.732 1.00 0.00 N ATOM 803 CA GLY A 57 -2.067 -4.162 6.152 1.00 0.00 C ATOM 804 C GLY A 57 -1.891 -5.595 6.614 1.00 0.00 C ATOM 805 O GLY A 57 -1.127 -5.866 7.541 1.00 0.00 O ATOM 0 H GLY A 57 -3.333 -3.919 4.500 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.162 -3.597 6.377 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.879 -3.700 6.713 1.00 0.00 H new ATOM 809 N SER A 58 -2.600 -6.515 5.968 1.00 0.00 N ATOM 810 CA SER A 58 -2.523 -7.927 6.321 1.00 0.00 C ATOM 811 C SER A 58 -2.164 -8.773 5.103 1.00 0.00 C ATOM 812 O SER A 58 -2.024 -8.256 3.996 1.00 0.00 O ATOM 813 CB SER A 58 -3.853 -8.401 6.911 1.00 0.00 C ATOM 814 OG SER A 58 -4.933 -8.087 6.049 1.00 0.00 O ATOM 0 H SER A 58 -3.235 -6.307 5.197 1.00 0.00 H new ATOM 0 HA SER A 58 -1.739 -8.046 7.069 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.818 -9.478 7.078 1.00 0.00 H new ATOM 0 HB3 SER A 58 -4.011 -7.933 7.883 1.00 0.00 H new ATOM 0 HG SER A 58 -5.771 -8.401 6.447 1.00 0.00 H new ATOM 820 N GLU A 59 -2.016 -10.076 5.319 1.00 0.00 N ATOM 821 CA GLU A 59 -1.672 -10.994 4.239 1.00 0.00 C ATOM 822 C GLU A 59 -2.893 -11.794 3.795 1.00 0.00 C ATOM 823 O GLU A 59 -3.277 -12.769 4.440 1.00 0.00 O ATOM 824 CB GLU A 59 -0.559 -11.945 4.683 1.00 0.00 C ATOM 825 CG GLU A 59 0.818 -11.303 4.705 1.00 0.00 C ATOM 826 CD GLU A 59 1.916 -12.289 5.054 1.00 0.00 C ATOM 827 OE1 GLU A 59 1.716 -13.502 4.835 1.00 0.00 O ATOM 828 OE2 GLU A 59 2.976 -11.847 5.545 1.00 0.00 O ATOM 0 H GLU A 59 -2.129 -10.520 6.231 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.319 -10.403 3.393 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.791 -12.322 5.679 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.539 -12.805 4.014 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.026 -10.864 3.729 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.823 -10.488 5.429 1.00 0.00 H new ATOM 835 N ASN A 60 -3.499 -11.374 2.690 1.00 0.00 N ATOM 836 CA ASN A 60 -4.678 -12.050 2.160 1.00 0.00 C ATOM 837 C ASN A 60 -4.388 -12.653 0.788 1.00 0.00 C ATOM 838 O ASN A 60 -3.391 -12.316 0.149 1.00 0.00 O ATOM 839 CB ASN A 60 -5.851 -11.074 2.063 1.00 0.00 C ATOM 840 CG ASN A 60 -5.430 -9.713 1.542 1.00 0.00 C ATOM 841 OD1 ASN A 60 -4.456 -9.129 2.017 1.00 0.00 O ATOM 842 ND2 ASN A 60 -6.163 -9.202 0.560 1.00 0.00 N ATOM 0 H ASN A 60 -3.193 -10.569 2.144 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.942 -12.857 2.844 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.614 -11.491 1.406 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.306 -10.958 3.047 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.927 -8.290 0.169 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.962 -9.721 0.197 1.00 0.00 H new ATOM 849 N ILE A 61 -5.267 -13.545 0.343 1.00 0.00 N ATOM 850 CA ILE A 61 -5.107 -14.193 -0.953 1.00 0.00 C ATOM 851 C ILE A 61 -4.468 -13.248 -1.965 1.00 0.00 C ATOM 852 O ILE A 61 -3.345 -13.472 -2.416 1.00 0.00 O ATOM 853 CB ILE A 61 -6.457 -14.685 -1.507 1.00 0.00 C ATOM 854 CG1 ILE A 61 -6.880 -15.977 -0.806 1.00 0.00 C ATOM 855 CG2 ILE A 61 -6.366 -14.897 -3.011 1.00 0.00 C ATOM 856 CD1 ILE A 61 -6.119 -17.197 -1.276 1.00 0.00 C ATOM 0 H ILE A 61 -6.097 -13.835 0.861 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.453 -15.051 -0.798 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.213 -13.924 -1.312 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.737 -15.861 0.268 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.945 -16.138 -0.970 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.328 -15.245 -3.388 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.105 -13.956 -3.496 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.600 -15.642 -3.228 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.471 -18.076 -0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.282 -17.338 -2.345 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.055 -17.057 -1.086 1.00 0.00 H new ATOM 868 N ARG A 62 -5.191 -12.189 -2.316 1.00 0.00 N ATOM 869 CA ARG A 62 -4.696 -11.209 -3.275 1.00 0.00 C ATOM 870 C ARG A 62 -3.243 -10.847 -2.980 1.00 0.00 C ATOM 871 O ARG A 62 -2.346 -11.137 -3.772 1.00 0.00 O ATOM 872 CB ARG A 62 -5.563 -9.949 -3.243 1.00 0.00 C ATOM 873 CG ARG A 62 -6.855 -10.080 -4.035 1.00 0.00 C ATOM 874 CD ARG A 62 -7.968 -9.242 -3.425 1.00 0.00 C ATOM 875 NE ARG A 62 -8.984 -8.883 -4.411 1.00 0.00 N ATOM 876 CZ ARG A 62 -10.186 -8.415 -4.090 1.00 0.00 C ATOM 877 NH1 ARG A 62 -10.519 -8.251 -2.817 1.00 0.00 N ATOM 878 NH2 ARG A 62 -11.057 -8.111 -5.044 1.00 0.00 N ATOM 0 H ARG A 62 -6.122 -11.988 -1.950 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.748 -11.652 -4.269 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.804 -9.710 -2.207 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.988 -9.112 -3.638 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.685 -9.767 -5.065 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.160 -11.126 -4.066 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.433 -9.795 -2.609 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.544 -8.335 -2.994 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.759 -8.998 -5.399 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.852 -8.484 -2.081 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.442 -7.892 -2.574 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.804 -8.236 -6.024 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.979 -7.752 -4.797 1.00 0.00 H new ATOM 892 N VAL A 63 -3.018 -10.210 -1.834 1.00 0.00 N ATOM 893 CA VAL A 63 -1.675 -9.808 -1.434 1.00 0.00 C ATOM 894 C VAL A 63 -0.664 -10.914 -1.716 1.00 0.00 C ATOM 895 O VAL A 63 0.410 -10.663 -2.263 1.00 0.00 O ATOM 896 CB VAL A 63 -1.620 -9.447 0.062 1.00 0.00 C ATOM 897 CG1 VAL A 63 -0.182 -9.232 0.508 1.00 0.00 C ATOM 898 CG2 VAL A 63 -2.464 -8.212 0.343 1.00 0.00 C ATOM 0 H VAL A 63 -3.749 -9.962 -1.167 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.419 -8.927 -2.023 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.031 -10.279 0.634 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.164 -8.978 1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.390 -10.145 0.344 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.260 -8.419 -0.068 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.414 -7.971 1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.084 -7.372 -0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.499 -8.408 0.064 1.00 0.00 H new ATOM 908 N LYS A 64 -1.014 -12.139 -1.339 1.00 0.00 N ATOM 909 CA LYS A 64 -0.139 -13.285 -1.552 1.00 0.00 C ATOM 910 C LYS A 64 0.360 -13.328 -2.993 1.00 0.00 C ATOM 911 O LYS A 64 1.564 -13.294 -3.244 1.00 0.00 O ATOM 912 CB LYS A 64 -0.875 -14.584 -1.217 1.00 0.00 C ATOM 913 CG LYS A 64 0.038 -15.687 -0.711 1.00 0.00 C ATOM 914 CD LYS A 64 -0.738 -16.958 -0.406 1.00 0.00 C ATOM 915 CE LYS A 64 0.183 -18.078 0.050 1.00 0.00 C ATOM 916 NZ LYS A 64 0.727 -17.829 1.414 1.00 0.00 N ATOM 0 H LYS A 64 -1.899 -12.364 -0.884 1.00 0.00 H new ATOM 0 HA LYS A 64 0.721 -13.181 -0.891 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.634 -14.377 -0.463 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.397 -14.936 -2.107 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.804 -15.898 -1.457 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.554 -15.350 0.188 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.478 -16.756 0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.284 -17.274 -1.295 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.362 -19.022 0.043 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.007 -18.181 -0.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.309 -18.639 1.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.311 -16.968 1.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.059 -17.706 2.084 1.00 0.00 H new ATOM 930 N ASN A 65 -0.574 -13.402 -3.936 1.00 0.00 N ATOM 931 CA ASN A 65 -0.228 -13.448 -5.352 1.00 0.00 C ATOM 932 C ASN A 65 0.910 -12.482 -5.666 1.00 0.00 C ATOM 933 O ASN A 65 1.902 -12.857 -6.292 1.00 0.00 O ATOM 934 CB ASN A 65 -1.450 -13.110 -6.208 1.00 0.00 C ATOM 935 CG ASN A 65 -2.265 -14.339 -6.562 1.00 0.00 C ATOM 936 OD1 ASN A 65 -2.379 -14.707 -7.732 1.00 0.00 O ATOM 937 ND2 ASN A 65 -2.838 -14.980 -5.550 1.00 0.00 N ATOM 0 H ASN A 65 -1.576 -13.431 -3.745 1.00 0.00 H new ATOM 0 HA ASN A 65 0.103 -14.460 -5.587 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.081 -12.401 -5.672 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.124 -12.617 -7.124 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.400 -15.813 -5.726 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.717 -14.639 -4.596 1.00 0.00 H new ATOM 944 N ILE A 66 0.760 -11.237 -5.226 1.00 0.00 N ATOM 945 CA ILE A 66 1.775 -10.217 -5.459 1.00 0.00 C ATOM 946 C ILE A 66 3.098 -10.599 -4.803 1.00 0.00 C ATOM 947 O ILE A 66 4.170 -10.340 -5.350 1.00 0.00 O ATOM 948 CB ILE A 66 1.327 -8.844 -4.924 1.00 0.00 C ATOM 949 CG1 ILE A 66 0.111 -8.341 -5.704 1.00 0.00 C ATOM 950 CG2 ILE A 66 2.470 -7.843 -5.011 1.00 0.00 C ATOM 951 CD1 ILE A 66 -1.196 -8.949 -5.245 1.00 0.00 C ATOM 0 H ILE A 66 -0.055 -10.910 -4.706 1.00 0.00 H new ATOM 0 HA ILE A 66 1.913 -10.149 -6.538 1.00 0.00 H new ATOM 0 HB ILE A 66 1.044 -8.953 -3.877 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.051 -7.257 -5.608 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.252 -8.560 -6.762 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.138 -6.878 -4.629 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.311 -8.199 -4.416 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.781 -7.735 -6.050 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.014 -8.546 -5.842 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.156 -10.031 -5.367 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.361 -8.708 -4.195 1.00 0.00 H new ATOM 963 N ILE A 67 3.013 -11.216 -3.630 1.00 0.00 N ATOM 964 CA ILE A 67 4.204 -11.636 -2.901 1.00 0.00 C ATOM 965 C ILE A 67 4.951 -12.731 -3.653 1.00 0.00 C ATOM 966 O ILE A 67 6.164 -12.646 -3.853 1.00 0.00 O ATOM 967 CB ILE A 67 3.850 -12.147 -1.492 1.00 0.00 C ATOM 968 CG1 ILE A 67 3.287 -11.008 -0.639 1.00 0.00 C ATOM 969 CG2 ILE A 67 5.074 -12.759 -0.827 1.00 0.00 C ATOM 970 CD1 ILE A 67 2.667 -11.475 0.660 1.00 0.00 C ATOM 0 H ILE A 67 2.133 -11.436 -3.164 1.00 0.00 H new ATOM 0 HA ILE A 67 4.844 -10.759 -2.811 1.00 0.00 H new ATOM 0 HB ILE A 67 3.086 -12.919 -1.583 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.087 -10.302 -0.417 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.537 -10.469 -1.217 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.807 -13.115 0.168 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.435 -13.594 -1.427 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.858 -12.006 -0.745 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.289 -10.615 1.213 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.845 -12.158 0.446 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.420 -11.989 1.258 1.00 0.00 H new ATOM 982 N LEU A 68 4.221 -13.759 -4.071 1.00 0.00 N ATOM 983 CA LEU A 68 4.814 -14.872 -4.804 1.00 0.00 C ATOM 984 C LEU A 68 5.645 -14.368 -5.980 1.00 0.00 C ATOM 985 O LEU A 68 6.788 -14.783 -6.169 1.00 0.00 O ATOM 986 CB LEU A 68 3.722 -15.819 -5.305 1.00 0.00 C ATOM 987 CG LEU A 68 3.069 -16.709 -4.248 1.00 0.00 C ATOM 988 CD1 LEU A 68 1.862 -16.015 -3.637 1.00 0.00 C ATOM 989 CD2 LEU A 68 2.669 -18.048 -4.851 1.00 0.00 C ATOM 0 H LEU A 68 3.217 -13.845 -3.915 1.00 0.00 H new ATOM 0 HA LEU A 68 5.471 -15.414 -4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.943 -15.224 -5.781 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.150 -16.459 -6.076 1.00 0.00 H new ATOM 0 HG LEU A 68 3.795 -16.893 -3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.410 -16.664 -2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.177 -15.083 -3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.132 -15.800 -4.418 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.206 -18.669 -4.084 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.960 -17.884 -5.662 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.555 -18.551 -5.239 1.00 0.00 H new ATOM 1001 N SER A 69 5.062 -13.469 -6.767 1.00 0.00 N ATOM 1002 CA SER A 69 5.747 -12.909 -7.926 1.00 0.00 C ATOM 1003 C SER A 69 7.082 -12.291 -7.522 1.00 0.00 C ATOM 1004 O SER A 69 7.928 -12.005 -8.368 1.00 0.00 O ATOM 1005 CB SER A 69 4.870 -11.855 -8.604 1.00 0.00 C ATOM 1006 OG SER A 69 4.040 -12.441 -9.593 1.00 0.00 O ATOM 0 H SER A 69 4.117 -13.113 -6.623 1.00 0.00 H new ATOM 0 HA SER A 69 5.939 -13.719 -8.629 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.253 -11.355 -7.857 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.500 -11.091 -9.060 1.00 0.00 H new ATOM 0 HG SER A 69 3.488 -11.747 -10.010 1.00 0.00 H new ATOM 1012 N ASN A 70 7.264 -12.090 -6.220 1.00 0.00 N ATOM 1013 CA ASN A 70 8.495 -11.506 -5.702 1.00 0.00 C ATOM 1014 C ASN A 70 9.036 -10.443 -6.654 1.00 0.00 C ATOM 1015 O ASN A 70 10.233 -10.399 -6.938 1.00 0.00 O ATOM 1016 CB ASN A 70 9.548 -12.594 -5.484 1.00 0.00 C ATOM 1017 CG ASN A 70 10.522 -12.243 -4.376 1.00 0.00 C ATOM 1018 OD1 ASN A 70 10.431 -11.175 -3.769 1.00 0.00 O ATOM 1019 ND2 ASN A 70 11.462 -13.142 -4.107 1.00 0.00 N ATOM 0 H ASN A 70 6.574 -12.323 -5.505 1.00 0.00 H new ATOM 0 HA ASN A 70 8.269 -11.032 -4.747 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.051 -13.534 -5.243 1.00 0.00 H new ATOM 0 HB3 ASN A 70 10.099 -12.754 -6.411 1.00 0.00 H new ATOM 0 HD21 ASN A 70 12.146 -12.961 -3.372 1.00 0.00 H new ATOM 0 HD22 ASN A 70 11.500 -14.014 -4.635 1.00 0.00 H new ATOM 1026 N LYS A 71 8.146 -9.587 -7.143 1.00 0.00 N ATOM 1027 CA LYS A 71 8.532 -8.522 -8.062 1.00 0.00 C ATOM 1028 C LYS A 71 8.187 -7.154 -7.484 1.00 0.00 C ATOM 1029 O LYS A 71 8.938 -6.191 -7.650 1.00 0.00 O ATOM 1030 CB LYS A 71 7.836 -8.708 -9.412 1.00 0.00 C ATOM 1031 CG LYS A 71 7.773 -7.439 -10.243 1.00 0.00 C ATOM 1032 CD LYS A 71 9.148 -7.034 -10.749 1.00 0.00 C ATOM 1033 CE LYS A 71 9.613 -7.935 -11.882 1.00 0.00 C ATOM 1034 NZ LYS A 71 9.133 -7.453 -13.207 1.00 0.00 N ATOM 0 H LYS A 71 7.151 -9.610 -6.918 1.00 0.00 H new ATOM 0 HA LYS A 71 9.611 -8.574 -8.207 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.360 -9.478 -9.979 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.823 -9.072 -9.242 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.103 -7.590 -11.089 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.352 -6.631 -9.644 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.120 -6.000 -11.093 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.866 -7.078 -9.930 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.702 -7.982 -11.885 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.251 -8.949 -11.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.471 -8.094 -13.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.093 -7.433 -13.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.499 -6.495 -13.381 1.00 0.00 H new ATOM 1048 N HIS A 72 7.048 -7.073 -6.804 1.00 0.00 N ATOM 1049 CA HIS A 72 6.605 -5.822 -6.200 1.00 0.00 C ATOM 1050 C HIS A 72 6.880 -5.816 -4.699 1.00 0.00 C ATOM 1051 O HIS A 72 7.240 -6.841 -4.120 1.00 0.00 O ATOM 1052 CB HIS A 72 5.113 -5.607 -6.457 1.00 0.00 C ATOM 1053 CG HIS A 72 4.825 -4.867 -7.727 1.00 0.00 C ATOM 1054 ND1 HIS A 72 5.132 -5.367 -8.975 1.00 0.00 N ATOM 1055 CD2 HIS A 72 4.252 -3.659 -7.937 1.00 0.00 C ATOM 1056 CE1 HIS A 72 4.762 -4.497 -9.898 1.00 0.00 C ATOM 1057 NE2 HIS A 72 4.225 -3.452 -9.294 1.00 0.00 N ATOM 0 H HIS A 72 6.415 -7.859 -6.657 1.00 0.00 H new ATOM 0 HA HIS A 72 7.166 -5.008 -6.658 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.615 -6.576 -6.490 1.00 0.00 H new ATOM 0 HB3 HIS A 72 4.684 -5.056 -5.620 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.884 -2.984 -7.178 1.00 0.00 H new ATOM 0 HE1 HIS A 72 4.879 -4.619 -10.965 1.00 0.00 H new ATOM 0 HE2 HIS A 72 3.851 -2.625 -9.760 1.00 0.00 H new ATOM 1065 N ASP A 73 6.710 -4.655 -4.076 1.00 0.00 N ATOM 1066 CA ASP A 73 6.941 -4.516 -2.643 1.00 0.00 C ATOM 1067 C ASP A 73 5.638 -4.206 -1.911 1.00 0.00 C ATOM 1068 O ASP A 73 4.749 -3.551 -2.454 1.00 0.00 O ATOM 1069 CB ASP A 73 7.965 -3.413 -2.374 1.00 0.00 C ATOM 1070 CG ASP A 73 7.918 -2.312 -3.416 1.00 0.00 C ATOM 1071 OD1 ASP A 73 6.805 -1.846 -3.736 1.00 0.00 O ATOM 1072 OD2 ASP A 73 8.994 -1.918 -3.912 1.00 0.00 O ATOM 0 H ASP A 73 6.413 -3.797 -4.541 1.00 0.00 H new ATOM 0 HA ASP A 73 7.332 -5.463 -2.269 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.783 -2.984 -1.389 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.965 -3.847 -2.353 1.00 0.00 H new ATOM 1077 N VAL A 74 5.532 -4.684 -0.675 1.00 0.00 N ATOM 1078 CA VAL A 74 4.339 -4.458 0.132 1.00 0.00 C ATOM 1079 C VAL A 74 4.588 -3.397 1.198 1.00 0.00 C ATOM 1080 O VAL A 74 5.635 -3.386 1.845 1.00 0.00 O ATOM 1081 CB VAL A 74 3.870 -5.757 0.816 1.00 0.00 C ATOM 1082 CG1 VAL A 74 2.500 -5.563 1.447 1.00 0.00 C ATOM 1083 CG2 VAL A 74 3.850 -6.906 -0.181 1.00 0.00 C ATOM 0 H VAL A 74 6.258 -5.230 -0.211 1.00 0.00 H new ATOM 0 HA VAL A 74 3.560 -4.111 -0.546 1.00 0.00 H new ATOM 0 HB VAL A 74 4.576 -6.006 1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.185 -6.490 1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.552 -4.770 2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.780 -5.290 0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 74 3.517 -7.816 0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.167 -6.668 -0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.853 -7.058 -0.581 1.00 0.00 H new ATOM 1093 N VAL A 75 3.619 -2.505 1.375 1.00 0.00 N ATOM 1094 CA VAL A 75 3.732 -1.440 2.364 1.00 0.00 C ATOM 1095 C VAL A 75 2.488 -1.371 3.243 1.00 0.00 C ATOM 1096 O VAL A 75 1.400 -1.773 2.830 1.00 0.00 O ATOM 1097 CB VAL A 75 3.948 -0.071 1.692 1.00 0.00 C ATOM 1098 CG1 VAL A 75 4.252 0.994 2.734 1.00 0.00 C ATOM 1099 CG2 VAL A 75 5.065 -0.154 0.662 1.00 0.00 C ATOM 0 H VAL A 75 2.747 -2.499 0.846 1.00 0.00 H new ATOM 0 HA VAL A 75 4.598 -1.674 2.983 1.00 0.00 H new ATOM 0 HB VAL A 75 3.029 0.210 1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.402 1.954 2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.417 1.070 3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.156 0.722 3.279 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.204 0.822 0.197 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.990 -0.458 1.152 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.802 -0.886 -0.102 1.00 0.00 H new ATOM 1109 N LYS A 76 2.656 -0.858 4.457 1.00 0.00 N ATOM 1110 CA LYS A 76 1.547 -0.734 5.395 1.00 0.00 C ATOM 1111 C LYS A 76 0.670 0.464 5.047 1.00 0.00 C ATOM 1112 O LYS A 76 1.146 1.493 4.567 1.00 0.00 O ATOM 1113 CB LYS A 76 2.075 -0.595 6.825 1.00 0.00 C ATOM 1114 CG LYS A 76 2.283 -1.925 7.529 1.00 0.00 C ATOM 1115 CD LYS A 76 2.299 -1.759 9.039 1.00 0.00 C ATOM 1116 CE LYS A 76 2.437 -3.099 9.745 1.00 0.00 C ATOM 1117 NZ LYS A 76 2.721 -2.935 11.198 1.00 0.00 N ATOM 0 H LYS A 76 3.550 -0.521 4.814 1.00 0.00 H new ATOM 0 HA LYS A 76 0.941 -1.637 5.324 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.021 -0.053 6.803 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.376 0.008 7.404 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.489 -2.616 7.246 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.223 -2.369 7.201 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.125 -1.108 9.326 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.380 -1.269 9.362 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.519 -3.673 9.617 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.239 -3.673 9.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.808 -3.871 11.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.610 -2.410 11.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.944 -2.410 11.647 1.00 0.00 H new ATOM 1131 N PRO A 77 -0.641 0.331 5.294 1.00 0.00 N ATOM 1132 CA PRO A 77 -1.611 1.394 5.015 1.00 0.00 C ATOM 1133 C PRO A 77 -1.455 2.583 5.957 1.00 0.00 C ATOM 1134 O PRO A 77 -2.154 3.587 5.826 1.00 0.00 O ATOM 1135 CB PRO A 77 -2.962 0.709 5.238 1.00 0.00 C ATOM 1136 CG PRO A 77 -2.671 -0.402 6.187 1.00 0.00 C ATOM 1137 CD PRO A 77 -1.278 -0.868 5.864 1.00 0.00 C ATOM 0 HA PRO A 77 -1.487 1.806 4.014 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.694 1.402 5.653 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.374 0.332 4.302 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.739 -0.061 7.220 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.390 -1.213 6.071 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.754 -1.217 6.754 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.285 -1.695 5.154 1.00 0.00 H new ATOM 1145 N ALA A 78 -0.533 2.462 6.907 1.00 0.00 N ATOM 1146 CA ALA A 78 -0.283 3.528 7.869 1.00 0.00 C ATOM 1147 C ALA A 78 0.592 4.621 7.264 1.00 0.00 C ATOM 1148 O ALA A 78 0.253 5.803 7.321 1.00 0.00 O ATOM 1149 CB ALA A 78 0.366 2.964 9.125 1.00 0.00 C ATOM 0 H ALA A 78 0.053 1.636 7.031 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.241 3.974 8.137 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.547 3.771 9.835 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.296 2.225 9.577 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.313 2.491 8.864 1.00 0.00 H new ATOM 1155 N TRP A 79 1.717 4.218 6.686 1.00 0.00 N ATOM 1156 CA TRP A 79 2.641 5.163 6.070 1.00 0.00 C ATOM 1157 C TRP A 79 1.885 6.242 5.303 1.00 0.00 C ATOM 1158 O TRP A 79 2.312 7.396 5.252 1.00 0.00 O ATOM 1159 CB TRP A 79 3.603 4.432 5.133 1.00 0.00 C ATOM 1160 CG TRP A 79 4.177 5.313 4.065 1.00 0.00 C ATOM 1161 CD1 TRP A 79 5.055 6.345 4.237 1.00 0.00 C ATOM 1162 CD2 TRP A 79 3.911 5.241 2.660 1.00 0.00 C ATOM 1163 NE1 TRP A 79 5.351 6.918 3.024 1.00 0.00 N ATOM 1164 CE2 TRP A 79 4.662 6.259 2.041 1.00 0.00 C ATOM 1165 CE3 TRP A 79 3.113 4.414 1.864 1.00 0.00 C ATOM 1166 CZ2 TRP A 79 4.636 6.470 0.665 1.00 0.00 C ATOM 1167 CZ3 TRP A 79 3.088 4.626 0.499 1.00 0.00 C ATOM 1168 CH2 TRP A 79 3.846 5.646 -0.090 1.00 0.00 C ATOM 0 H TRP A 79 2.012 3.243 6.631 1.00 0.00 H new ATOM 0 HA TRP A 79 3.214 5.642 6.864 1.00 0.00 H new ATOM 0 HB2 TRP A 79 4.417 4.007 5.720 1.00 0.00 H new ATOM 0 HB3 TRP A 79 3.079 3.599 4.664 1.00 0.00 H new ATOM 0 HD1 TRP A 79 5.457 6.664 5.187 1.00 0.00 H new ATOM 0 HE1 TRP A 79 5.982 7.706 2.879 1.00 0.00 H new ATOM 0 HE3 TRP A 79 2.526 3.623 2.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 5.219 7.257 0.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 2.473 3.994 -0.125 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.806 5.785 -1.160 1.00 0.00 H new ATOM 1179 N LEU A 80 0.761 5.860 4.706 1.00 0.00 N ATOM 1180 CA LEU A 80 -0.055 6.795 3.940 1.00 0.00 C ATOM 1181 C LEU A 80 -0.565 7.926 4.828 1.00 0.00 C ATOM 1182 O LEU A 80 -0.542 9.094 4.439 1.00 0.00 O ATOM 1183 CB LEU A 80 -1.235 6.065 3.297 1.00 0.00 C ATOM 1184 CG LEU A 80 -0.914 5.241 2.049 1.00 0.00 C ATOM 1185 CD1 LEU A 80 -1.916 4.109 1.885 1.00 0.00 C ATOM 1186 CD2 LEU A 80 -0.903 6.129 0.813 1.00 0.00 C ATOM 0 H LEU A 80 0.394 4.909 4.738 1.00 0.00 H new ATOM 0 HA LEU A 80 0.568 7.225 3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.676 5.403 4.042 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.994 6.802 3.036 1.00 0.00 H new ATOM 0 HG LEU A 80 0.078 4.806 2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.672 3.534 0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.876 3.458 2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.920 4.523 1.787 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.673 5.527 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.882 6.592 0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.146 6.905 0.929 1.00 0.00 H new ATOM 1198 N LEU A 81 -1.023 7.571 6.024 1.00 0.00 N ATOM 1199 CA LEU A 81 -1.538 8.556 6.969 1.00 0.00 C ATOM 1200 C LEU A 81 -0.501 9.641 7.243 1.00 0.00 C ATOM 1201 O LEU A 81 -0.808 10.831 7.201 1.00 0.00 O ATOM 1202 CB LEU A 81 -1.938 7.875 8.279 1.00 0.00 C ATOM 1203 CG LEU A 81 -3.173 6.975 8.217 1.00 0.00 C ATOM 1204 CD1 LEU A 81 -3.383 6.265 9.545 1.00 0.00 C ATOM 1205 CD2 LEU A 81 -4.405 7.786 7.843 1.00 0.00 C ATOM 0 H LEU A 81 -1.048 6.609 6.362 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.418 9.023 6.526 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.095 7.278 8.627 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.113 8.647 9.028 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.011 6.221 7.447 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.266 5.629 9.482 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.510 5.653 9.772 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.523 7.004 10.334 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.274 7.130 7.803 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.570 8.562 8.590 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.254 8.248 6.867 1.00 0.00 H new ATOM 1217 N GLU A 82 0.729 9.220 7.521 1.00 0.00 N ATOM 1218 CA GLU A 82 1.812 10.156 7.801 1.00 0.00 C ATOM 1219 C GLU A 82 1.844 11.275 6.764 1.00 0.00 C ATOM 1220 O GLU A 82 2.342 12.370 7.031 1.00 0.00 O ATOM 1221 CB GLU A 82 3.156 9.425 7.820 1.00 0.00 C ATOM 1222 CG GLU A 82 3.497 8.814 9.169 1.00 0.00 C ATOM 1223 CD GLU A 82 4.135 9.811 10.116 1.00 0.00 C ATOM 1224 OE1 GLU A 82 5.072 10.519 9.691 1.00 0.00 O ATOM 1225 OE2 GLU A 82 3.697 9.884 11.284 1.00 0.00 O ATOM 0 H GLU A 82 1.000 8.237 7.558 1.00 0.00 H new ATOM 0 HA GLU A 82 1.633 10.597 8.782 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.142 8.637 7.067 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.944 10.123 7.537 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.590 8.416 9.623 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.175 7.973 9.022 1.00 0.00 H new ATOM 1232 N CYS A 83 1.310 10.993 5.581 1.00 0.00 N ATOM 1233 CA CYS A 83 1.278 11.975 4.502 1.00 0.00 C ATOM 1234 C CYS A 83 0.018 12.830 4.582 1.00 0.00 C ATOM 1235 O CYS A 83 0.038 14.017 4.257 1.00 0.00 O ATOM 1236 CB CYS A 83 1.349 11.274 3.145 1.00 0.00 C ATOM 1237 SG CYS A 83 2.619 9.992 3.041 1.00 0.00 S ATOM 0 H CYS A 83 0.893 10.093 5.344 1.00 0.00 H new ATOM 0 HA CYS A 83 2.144 12.627 4.611 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.379 10.827 2.928 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.537 12.020 2.372 1.00 0.00 H new ATOM 0 HG CYS A 83 2.384 9.075 3.932 1.00 0.00 H new ATOM 1243 N PHE A 84 -1.080 12.218 5.015 1.00 0.00 N ATOM 1244 CA PHE A 84 -2.351 12.922 5.135 1.00 0.00 C ATOM 1245 C PHE A 84 -2.325 13.896 6.309 1.00 0.00 C ATOM 1246 O PHE A 84 -3.010 14.918 6.299 1.00 0.00 O ATOM 1247 CB PHE A 84 -3.497 11.923 5.312 1.00 0.00 C ATOM 1248 CG PHE A 84 -3.628 10.953 4.173 1.00 0.00 C ATOM 1249 CD1 PHE A 84 -3.441 11.371 2.865 1.00 0.00 C ATOM 1250 CD2 PHE A 84 -3.938 9.624 4.409 1.00 0.00 C ATOM 1251 CE1 PHE A 84 -3.562 10.481 1.815 1.00 0.00 C ATOM 1252 CE2 PHE A 84 -4.060 8.729 3.363 1.00 0.00 C ATOM 1253 CZ PHE A 84 -3.870 9.158 2.064 1.00 0.00 C ATOM 0 H PHE A 84 -1.115 11.236 5.288 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.511 13.490 4.218 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.344 11.367 6.237 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.433 12.471 5.421 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.198 12.404 2.664 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.086 9.283 5.423 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.416 10.820 0.800 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.304 7.696 3.561 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.962 8.460 1.245 1.00 0.00 H new ATOM 1263 N LYS A 85 -1.528 13.571 7.322 1.00 0.00 N ATOM 1264 CA LYS A 85 -1.410 14.416 8.504 1.00 0.00 C ATOM 1265 C LYS A 85 -0.332 15.478 8.309 1.00 0.00 C ATOM 1266 O LYS A 85 -0.460 16.603 8.792 1.00 0.00 O ATOM 1267 CB LYS A 85 -1.085 13.564 9.734 1.00 0.00 C ATOM 1268 CG LYS A 85 -0.694 14.381 10.953 1.00 0.00 C ATOM 1269 CD LYS A 85 -0.839 13.576 12.234 1.00 0.00 C ATOM 1270 CE LYS A 85 -1.164 14.470 13.421 1.00 0.00 C ATOM 1271 NZ LYS A 85 -1.762 13.701 14.547 1.00 0.00 N ATOM 0 H LYS A 85 -0.954 12.728 7.348 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.365 14.918 8.658 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.952 12.951 9.981 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.272 12.881 9.488 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.337 14.720 10.850 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.318 15.273 11.010 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.627 12.833 12.111 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.085 13.032 12.429 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.255 14.966 13.762 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.855 15.252 13.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.969 14.346 15.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.643 13.249 14.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -1.092 12.971 14.863 1.00 0.00 H new ATOM 1285 N THR A 86 0.729 15.113 7.596 1.00 0.00 N ATOM 1286 CA THR A 86 1.828 16.034 7.337 1.00 0.00 C ATOM 1287 C THR A 86 1.665 16.718 5.984 1.00 0.00 C ATOM 1288 O THR A 86 2.333 17.711 5.694 1.00 0.00 O ATOM 1289 CB THR A 86 3.188 15.311 7.373 1.00 0.00 C ATOM 1290 OG1 THR A 86 3.349 14.512 6.195 1.00 0.00 O ATOM 1291 CG2 THR A 86 3.300 14.430 8.608 1.00 0.00 C ATOM 0 H THR A 86 0.850 14.186 7.188 1.00 0.00 H new ATOM 0 HA THR A 86 1.803 16.785 8.127 1.00 0.00 H new ATOM 0 HB THR A 86 3.975 16.065 7.411 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.130 13.579 6.400 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.268 13.930 8.612 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.206 15.045 9.503 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.506 13.683 8.595 1.00 0.00 H new ATOM 1299 N LYS A 87 0.772 16.182 5.160 1.00 0.00 N ATOM 1300 CA LYS A 87 0.518 16.742 3.837 1.00 0.00 C ATOM 1301 C LYS A 87 1.806 16.821 3.024 1.00 0.00 C ATOM 1302 O LYS A 87 2.007 17.758 2.252 1.00 0.00 O ATOM 1303 CB LYS A 87 -0.106 18.133 3.961 1.00 0.00 C ATOM 1304 CG LYS A 87 -1.580 18.109 4.328 1.00 0.00 C ATOM 1305 CD LYS A 87 -1.778 18.074 5.834 1.00 0.00 C ATOM 1306 CE LYS A 87 -3.254 18.076 6.202 1.00 0.00 C ATOM 1307 NZ LYS A 87 -3.466 18.372 7.646 1.00 0.00 N ATOM 0 H LYS A 87 0.211 15.360 5.384 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.179 16.083 3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.438 18.700 4.716 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.016 18.662 3.016 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.073 18.989 3.915 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.054 17.237 3.877 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.301 17.184 6.244 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.288 18.936 6.287 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.778 18.818 5.599 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.689 17.106 5.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.485 18.364 7.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.988 17.650 8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.074 19.309 7.870 1.00 0.00 H new ATOM 1321 N SER A 88 2.675 15.830 3.201 1.00 0.00 N ATOM 1322 CA SER A 88 3.944 15.790 2.485 1.00 0.00 C ATOM 1323 C SER A 88 4.320 14.355 2.127 1.00 0.00 C ATOM 1324 O SER A 88 3.792 13.401 2.699 1.00 0.00 O ATOM 1325 CB SER A 88 5.051 16.423 3.331 1.00 0.00 C ATOM 1326 OG SER A 88 4.678 17.716 3.774 1.00 0.00 O ATOM 0 H SER A 88 2.523 15.045 3.834 1.00 0.00 H new ATOM 0 HA SER A 88 3.831 16.359 1.562 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.264 15.788 4.191 1.00 0.00 H new ATOM 0 HB3 SER A 88 5.969 16.486 2.746 1.00 0.00 H new ATOM 0 HG SER A 88 3.949 17.641 4.424 1.00 0.00 H new ATOM 1332 N PHE A 89 5.237 14.210 1.176 1.00 0.00 N ATOM 1333 CA PHE A 89 5.684 12.893 0.739 1.00 0.00 C ATOM 1334 C PHE A 89 6.591 12.252 1.785 1.00 0.00 C ATOM 1335 O PHE A 89 7.816 12.299 1.674 1.00 0.00 O ATOM 1336 CB PHE A 89 6.422 12.998 -0.597 1.00 0.00 C ATOM 1337 CG PHE A 89 6.359 11.742 -1.418 1.00 0.00 C ATOM 1338 CD1 PHE A 89 7.013 10.594 -1.003 1.00 0.00 C ATOM 1339 CD2 PHE A 89 5.645 11.710 -2.605 1.00 0.00 C ATOM 1340 CE1 PHE A 89 6.956 9.436 -1.755 1.00 0.00 C ATOM 1341 CE2 PHE A 89 5.584 10.555 -3.362 1.00 0.00 C ATOM 1342 CZ PHE A 89 6.242 9.417 -2.937 1.00 0.00 C ATOM 0 H PHE A 89 5.685 14.989 0.693 1.00 0.00 H new ATOM 0 HA PHE A 89 4.804 12.263 0.611 1.00 0.00 H new ATOM 0 HB2 PHE A 89 5.998 13.821 -1.173 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.466 13.246 -0.407 1.00 0.00 H new ATOM 0 HD1 PHE A 89 7.574 10.604 -0.080 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.130 12.597 -2.943 1.00 0.00 H new ATOM 0 HE1 PHE A 89 7.469 8.547 -1.419 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.023 10.542 -4.285 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.198 8.514 -3.528 1.00 0.00 H new ATOM 1352 N VAL A 90 5.980 11.653 2.803 1.00 0.00 N ATOM 1353 CA VAL A 90 6.731 11.002 3.869 1.00 0.00 C ATOM 1354 C VAL A 90 7.677 9.946 3.309 1.00 0.00 C ATOM 1355 O VAL A 90 7.335 9.190 2.400 1.00 0.00 O ATOM 1356 CB VAL A 90 5.791 10.341 4.895 1.00 0.00 C ATOM 1357 CG1 VAL A 90 6.593 9.595 5.951 1.00 0.00 C ATOM 1358 CG2 VAL A 90 4.888 11.383 5.538 1.00 0.00 C ATOM 0 H VAL A 90 4.967 11.606 2.911 1.00 0.00 H new ATOM 0 HA VAL A 90 7.312 11.779 4.367 1.00 0.00 H new ATOM 0 HB VAL A 90 5.162 9.620 4.374 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.912 9.135 6.667 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.194 8.822 5.473 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.248 10.294 6.471 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.230 10.899 6.260 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.498 12.129 6.046 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.287 11.868 4.769 1.00 0.00 H new ATOM 1368 N PRO A 91 8.897 9.890 3.865 1.00 0.00 N ATOM 1369 CA PRO A 91 9.918 8.929 3.437 1.00 0.00 C ATOM 1370 C PRO A 91 9.567 7.497 3.828 1.00 0.00 C ATOM 1371 O PRO A 91 8.854 7.268 4.805 1.00 0.00 O ATOM 1372 CB PRO A 91 11.174 9.393 4.179 1.00 0.00 C ATOM 1373 CG PRO A 91 10.662 10.113 5.378 1.00 0.00 C ATOM 1374 CD PRO A 91 9.373 10.760 4.953 1.00 0.00 C ATOM 0 HA PRO A 91 10.029 8.908 2.353 1.00 0.00 H new ATOM 0 HB2 PRO A 91 11.801 8.548 4.463 1.00 0.00 H new ATOM 0 HB3 PRO A 91 11.783 10.047 3.555 1.00 0.00 H new ATOM 0 HG2 PRO A 91 10.498 9.424 6.207 1.00 0.00 H new ATOM 0 HG3 PRO A 91 11.379 10.859 5.721 1.00 0.00 H new ATOM 0 HD2 PRO A 91 8.657 10.806 5.773 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.531 11.783 4.610 1.00 0.00 H new ATOM 1382 N TRP A 92 10.073 6.539 3.061 1.00 0.00 N ATOM 1383 CA TRP A 92 9.812 5.129 3.329 1.00 0.00 C ATOM 1384 C TRP A 92 10.555 4.665 4.577 1.00 0.00 C ATOM 1385 O TRP A 92 11.719 5.009 4.780 1.00 0.00 O ATOM 1386 CB TRP A 92 10.226 4.276 2.128 1.00 0.00 C ATOM 1387 CG TRP A 92 9.138 4.118 1.109 1.00 0.00 C ATOM 1388 CD1 TRP A 92 8.016 4.886 0.982 1.00 0.00 C ATOM 1389 CD2 TRP A 92 9.069 3.129 0.076 1.00 0.00 C ATOM 1390 NE1 TRP A 92 7.253 4.434 -0.067 1.00 0.00 N ATOM 1391 CE2 TRP A 92 7.878 3.358 -0.641 1.00 0.00 C ATOM 1392 CE3 TRP A 92 9.898 2.075 -0.316 1.00 0.00 C ATOM 1393 CZ2 TRP A 92 7.498 2.570 -1.723 1.00 0.00 C ATOM 1394 CZ3 TRP A 92 9.519 1.293 -1.390 1.00 0.00 C ATOM 1395 CH2 TRP A 92 8.329 1.544 -2.085 1.00 0.00 C ATOM 0 H TRP A 92 10.666 6.712 2.249 1.00 0.00 H new ATOM 0 HA TRP A 92 8.742 5.009 3.500 1.00 0.00 H new ATOM 0 HB2 TRP A 92 11.096 4.728 1.653 1.00 0.00 H new ATOM 0 HB3 TRP A 92 10.531 3.290 2.479 1.00 0.00 H new ATOM 0 HD1 TRP A 92 7.765 5.725 1.614 1.00 0.00 H new ATOM 0 HE1 TRP A 92 6.365 4.834 -0.370 1.00 0.00 H new ATOM 0 HE3 TRP A 92 10.819 1.875 0.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 6.580 2.761 -2.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 10.151 0.474 -1.699 1.00 0.00 H new ATOM 0 HH2 TRP A 92 8.062 0.916 -2.922 1.00 0.00 H new ATOM 1406 N GLN A 93 9.875 3.884 5.409 1.00 0.00 N ATOM 1407 CA GLN A 93 10.472 3.374 6.638 1.00 0.00 C ATOM 1408 C GLN A 93 10.572 1.853 6.605 1.00 0.00 C ATOM 1409 O GLN A 93 9.801 1.170 5.929 1.00 0.00 O ATOM 1410 CB GLN A 93 9.651 3.817 7.851 1.00 0.00 C ATOM 1411 CG GLN A 93 9.432 5.319 7.922 1.00 0.00 C ATOM 1412 CD GLN A 93 10.726 6.103 7.822 1.00 0.00 C ATOM 1413 OE1 GLN A 93 11.768 5.667 8.311 1.00 0.00 O ATOM 1414 NE2 GLN A 93 10.666 7.267 7.185 1.00 0.00 N ATOM 0 H GLN A 93 8.910 3.590 5.255 1.00 0.00 H new ATOM 0 HA GLN A 93 11.479 3.784 6.720 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.682 3.318 7.825 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.155 3.488 8.760 1.00 0.00 H new ATOM 0 HG2 GLN A 93 8.764 5.623 7.116 1.00 0.00 H new ATOM 0 HG3 GLN A 93 8.934 5.566 8.859 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.781 7.590 6.795 1.00 0.00 H new ATOM 0 HE22 GLN A 93 11.505 7.838 7.086 1.00 0.00 H new ATOM 1423 N PRO A 94 11.544 1.307 7.350 1.00 0.00 N ATOM 1424 CA PRO A 94 11.767 -0.140 7.423 1.00 0.00 C ATOM 1425 C PRO A 94 10.652 -0.863 8.172 1.00 0.00 C ATOM 1426 O PRO A 94 10.429 -2.056 7.971 1.00 0.00 O ATOM 1427 CB PRO A 94 13.088 -0.257 8.188 1.00 0.00 C ATOM 1428 CG PRO A 94 13.168 0.990 8.999 1.00 0.00 C ATOM 1429 CD PRO A 94 12.499 2.060 8.181 1.00 0.00 C ATOM 0 HA PRO A 94 11.788 -0.599 6.435 1.00 0.00 H new ATOM 0 HB2 PRO A 94 13.101 -1.143 8.822 1.00 0.00 H new ATOM 0 HB3 PRO A 94 13.934 -0.341 7.506 1.00 0.00 H new ATOM 0 HG2 PRO A 94 12.668 0.864 9.959 1.00 0.00 H new ATOM 0 HG3 PRO A 94 14.205 1.252 9.211 1.00 0.00 H new ATOM 0 HD2 PRO A 94 11.993 2.791 8.812 1.00 0.00 H new ATOM 0 HD3 PRO A 94 13.217 2.608 7.571 1.00 0.00 H new ATOM 1437 N ARG A 95 9.955 -0.131 9.035 1.00 0.00 N ATOM 1438 CA ARG A 95 8.864 -0.703 9.814 1.00 0.00 C ATOM 1439 C ARG A 95 7.555 -0.657 9.031 1.00 0.00 C ATOM 1440 O ARG A 95 6.674 -1.496 9.224 1.00 0.00 O ATOM 1441 CB ARG A 95 8.705 0.049 11.137 1.00 0.00 C ATOM 1442 CG ARG A 95 7.842 1.295 11.030 1.00 0.00 C ATOM 1443 CD ARG A 95 8.592 2.437 10.362 1.00 0.00 C ATOM 1444 NE ARG A 95 7.791 3.656 10.300 1.00 0.00 N ATOM 1445 CZ ARG A 95 7.708 4.532 11.296 1.00 0.00 C ATOM 1446 NH1 ARG A 95 8.373 4.324 12.423 1.00 0.00 N ATOM 1447 NH2 ARG A 95 6.957 5.618 11.164 1.00 0.00 N ATOM 0 H ARG A 95 10.126 0.859 9.212 1.00 0.00 H new ATOM 0 HA ARG A 95 9.107 -1.745 10.022 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.269 -0.622 11.876 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.691 0.331 11.505 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.941 1.067 10.460 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.520 1.602 12.025 1.00 0.00 H new ATOM 0 HD2 ARG A 95 9.513 2.636 10.911 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.880 2.141 9.353 1.00 0.00 H new ATOM 0 HE ARG A 95 7.267 3.846 9.446 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.951 3.490 12.528 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.307 4.998 13.186 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.443 5.781 10.298 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.893 6.290 11.929 1.00 0.00 H new ATOM 1461 N PHE A 96 7.434 0.328 8.148 1.00 0.00 N ATOM 1462 CA PHE A 96 6.232 0.484 7.337 1.00 0.00 C ATOM 1463 C PHE A 96 6.093 -0.666 6.344 1.00 0.00 C ATOM 1464 O PHE A 96 4.996 -1.176 6.119 1.00 0.00 O ATOM 1465 CB PHE A 96 6.266 1.818 6.588 1.00 0.00 C ATOM 1466 CG PHE A 96 5.763 2.976 7.402 1.00 0.00 C ATOM 1467 CD1 PHE A 96 4.623 2.849 8.179 1.00 0.00 C ATOM 1468 CD2 PHE A 96 6.428 4.191 7.388 1.00 0.00 C ATOM 1469 CE1 PHE A 96 4.157 3.912 8.930 1.00 0.00 C ATOM 1470 CE2 PHE A 96 5.967 5.257 8.137 1.00 0.00 C ATOM 1471 CZ PHE A 96 4.830 5.118 8.907 1.00 0.00 C ATOM 0 H PHE A 96 8.153 1.030 7.976 1.00 0.00 H new ATOM 0 HA PHE A 96 5.370 0.471 8.004 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.289 2.023 6.273 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.665 1.733 5.683 1.00 0.00 H new ATOM 0 HD1 PHE A 96 4.092 1.909 8.198 1.00 0.00 H new ATOM 0 HD2 PHE A 96 7.317 4.307 6.785 1.00 0.00 H new ATOM 0 HE1 PHE A 96 3.268 3.800 9.534 1.00 0.00 H new ATOM 0 HE2 PHE A 96 6.496 6.198 8.120 1.00 0.00 H new ATOM 0 HZ PHE A 96 4.467 5.951 9.491 1.00 0.00 H new ATOM 1481 N MET A 97 7.213 -1.068 5.753 1.00 0.00 N ATOM 1482 CA MET A 97 7.216 -2.159 4.784 1.00 0.00 C ATOM 1483 C MET A 97 6.771 -3.465 5.434 1.00 0.00 C ATOM 1484 O MET A 97 6.808 -3.604 6.657 1.00 0.00 O ATOM 1485 CB MET A 97 8.611 -2.326 4.178 1.00 0.00 C ATOM 1486 CG MET A 97 9.322 -1.009 3.914 1.00 0.00 C ATOM 1487 SD MET A 97 10.470 -1.104 2.528 1.00 0.00 S ATOM 1488 CE MET A 97 9.333 -1.322 1.161 1.00 0.00 C ATOM 0 H MET A 97 8.130 -0.656 5.927 1.00 0.00 H new ATOM 0 HA MET A 97 6.510 -1.910 3.991 1.00 0.00 H new ATOM 0 HB2 MET A 97 9.220 -2.930 4.851 1.00 0.00 H new ATOM 0 HB3 MET A 97 8.528 -2.878 3.242 1.00 0.00 H new ATOM 0 HG2 MET A 97 8.581 -0.235 3.715 1.00 0.00 H new ATOM 0 HG3 MET A 97 9.865 -0.708 4.810 1.00 0.00 H new ATOM 0 HE1 MET A 97 9.886 -1.626 0.272 1.00 0.00 H new ATOM 0 HE2 MET A 97 8.603 -2.090 1.414 1.00 0.00 H new ATOM 0 HE3 MET A 97 8.817 -0.382 0.963 1.00 0.00 H new ATOM 1498 N ILE A 98 6.352 -4.418 4.610 1.00 0.00 N ATOM 1499 CA ILE A 98 5.901 -5.712 5.105 1.00 0.00 C ATOM 1500 C ILE A 98 6.612 -6.854 4.387 1.00 0.00 C ATOM 1501 O ILE A 98 6.846 -7.916 4.966 1.00 0.00 O ATOM 1502 CB ILE A 98 4.379 -5.882 4.934 1.00 0.00 C ATOM 1503 CG1 ILE A 98 3.632 -4.808 5.728 1.00 0.00 C ATOM 1504 CG2 ILE A 98 3.948 -7.272 5.377 1.00 0.00 C ATOM 1505 CD1 ILE A 98 2.216 -4.579 5.249 1.00 0.00 C ATOM 0 H ILE A 98 6.315 -4.318 3.596 1.00 0.00 H new ATOM 0 HA ILE A 98 6.145 -5.745 6.167 1.00 0.00 H new ATOM 0 HB ILE A 98 4.131 -5.766 3.879 1.00 0.00 H new ATOM 0 HG12 ILE A 98 3.610 -5.095 6.779 1.00 0.00 H new ATOM 0 HG13 ILE A 98 4.185 -3.871 5.665 1.00 0.00 H new ATOM 0 HG21 ILE A 98 2.870 -7.377 5.250 1.00 0.00 H new ATOM 0 HG22 ILE A 98 4.459 -8.021 4.772 1.00 0.00 H new ATOM 0 HG23 ILE A 98 4.205 -7.416 6.426 1.00 0.00 H new ATOM 0 HD11 ILE A 98 1.747 -3.805 5.857 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.231 -4.262 4.206 1.00 0.00 H new ATOM 0 HD13 ILE A 98 1.648 -5.505 5.338 1.00 0.00 H new ATOM 1517 N HIS A 99 6.955 -6.629 3.123 1.00 0.00 N ATOM 1518 CA HIS A 99 7.643 -7.638 2.326 1.00 0.00 C ATOM 1519 C HIS A 99 8.277 -7.013 1.087 1.00 0.00 C ATOM 1520 O HIS A 99 7.586 -6.678 0.126 1.00 0.00 O ATOM 1521 CB HIS A 99 6.669 -8.742 1.912 1.00 0.00 C ATOM 1522 CG HIS A 99 7.143 -9.552 0.745 1.00 0.00 C ATOM 1523 ND1 HIS A 99 8.236 -10.390 0.805 1.00 0.00 N ATOM 1524 CD2 HIS A 99 6.664 -9.651 -0.517 1.00 0.00 C ATOM 1525 CE1 HIS A 99 8.411 -10.968 -0.370 1.00 0.00 C ATOM 1526 NE2 HIS A 99 7.469 -10.537 -1.190 1.00 0.00 N ATOM 0 H HIS A 99 6.768 -5.757 2.629 1.00 0.00 H new ATOM 0 HA HIS A 99 8.434 -8.071 2.938 1.00 0.00 H new ATOM 0 HB2 HIS A 99 6.503 -9.405 2.761 1.00 0.00 H new ATOM 0 HB3 HIS A 99 5.707 -8.293 1.665 1.00 0.00 H new ATOM 0 HD2 HIS A 99 5.808 -9.130 -0.920 1.00 0.00 H new ATOM 0 HE1 HIS A 99 9.191 -11.673 -0.618 1.00 0.00 H new ATOM 0 HE2 HIS A 99 7.358 -10.817 -2.165 1.00 0.00 H new ATOM 1534 N MET A 100 9.597 -6.858 1.119 1.00 0.00 N ATOM 1535 CA MET A 100 10.324 -6.272 -0.002 1.00 0.00 C ATOM 1536 C MET A 100 11.029 -7.353 -0.816 1.00 0.00 C ATOM 1537 O MET A 100 11.182 -8.486 -0.359 1.00 0.00 O ATOM 1538 CB MET A 100 11.344 -5.250 0.502 1.00 0.00 C ATOM 1539 CG MET A 100 10.728 -4.137 1.335 1.00 0.00 C ATOM 1540 SD MET A 100 10.650 -4.544 3.089 1.00 0.00 S ATOM 1541 CE MET A 100 12.189 -3.836 3.670 1.00 0.00 C ATOM 0 H MET A 100 10.184 -7.130 1.908 1.00 0.00 H new ATOM 0 HA MET A 100 9.604 -5.768 -0.646 1.00 0.00 H new ATOM 0 HB2 MET A 100 12.098 -5.765 1.098 1.00 0.00 H new ATOM 0 HB3 MET A 100 11.859 -4.811 -0.352 1.00 0.00 H new ATOM 0 HG2 MET A 100 11.310 -3.225 1.203 1.00 0.00 H new ATOM 0 HG3 MET A 100 9.723 -3.929 0.969 1.00 0.00 H new ATOM 0 HE1 MET A 100 12.722 -4.570 4.274 1.00 0.00 H new ATOM 0 HE2 MET A 100 12.805 -3.553 2.816 1.00 0.00 H new ATOM 0 HE3 MET A 100 11.978 -2.953 4.274 1.00 0.00 H new ATOM 1551 N CYS A 101 11.456 -6.995 -2.022 1.00 0.00 N ATOM 1552 CA CYS A 101 12.144 -7.934 -2.900 1.00 0.00 C ATOM 1553 C CYS A 101 13.631 -8.001 -2.566 1.00 0.00 C ATOM 1554 O CYS A 101 14.189 -7.110 -1.925 1.00 0.00 O ATOM 1555 CB CYS A 101 11.955 -7.530 -4.362 1.00 0.00 C ATOM 1556 SG CYS A 101 10.479 -8.231 -5.137 1.00 0.00 S ATOM 0 H CYS A 101 11.338 -6.061 -2.414 1.00 0.00 H new ATOM 0 HA CYS A 101 11.711 -8.922 -2.745 1.00 0.00 H new ATOM 0 HB2 CYS A 101 11.903 -6.443 -4.424 1.00 0.00 H new ATOM 0 HB3 CYS A 101 12.832 -7.840 -4.930 1.00 0.00 H new ATOM 0 HG CYS A 101 10.807 -9.289 -5.817 1.00 0.00 H new ATOM 1562 N PRO A 102 14.289 -9.083 -3.009 1.00 0.00 N ATOM 1563 CA PRO A 102 15.720 -9.293 -2.768 1.00 0.00 C ATOM 1564 C PRO A 102 16.589 -8.320 -3.557 1.00 0.00 C ATOM 1565 O PRO A 102 17.805 -8.268 -3.372 1.00 0.00 O ATOM 1566 CB PRO A 102 15.953 -10.728 -3.246 1.00 0.00 C ATOM 1567 CG PRO A 102 14.878 -10.973 -4.248 1.00 0.00 C ATOM 1568 CD PRO A 102 13.687 -10.184 -3.779 1.00 0.00 C ATOM 0 HA PRO A 102 15.986 -9.129 -1.724 1.00 0.00 H new ATOM 0 HB2 PRO A 102 16.942 -10.842 -3.690 1.00 0.00 H new ATOM 0 HB3 PRO A 102 15.892 -11.436 -2.419 1.00 0.00 H new ATOM 0 HG2 PRO A 102 15.191 -10.653 -5.242 1.00 0.00 H new ATOM 0 HG3 PRO A 102 14.641 -12.035 -4.314 1.00 0.00 H new ATOM 0 HD2 PRO A 102 13.096 -9.813 -4.616 1.00 0.00 H new ATOM 0 HD3 PRO A 102 13.022 -10.789 -3.163 1.00 0.00 H new ATOM 1576 N SER A 103 15.958 -7.550 -4.437 1.00 0.00 N ATOM 1577 CA SER A 103 16.675 -6.580 -5.257 1.00 0.00 C ATOM 1578 C SER A 103 16.636 -5.195 -4.620 1.00 0.00 C ATOM 1579 O SER A 103 17.541 -4.383 -4.813 1.00 0.00 O ATOM 1580 CB SER A 103 16.073 -6.524 -6.663 1.00 0.00 C ATOM 1581 OG SER A 103 16.680 -5.505 -7.438 1.00 0.00 O ATOM 0 H SER A 103 14.952 -7.579 -4.601 1.00 0.00 H new ATOM 0 HA SER A 103 17.715 -6.899 -5.327 1.00 0.00 H new ATOM 0 HB2 SER A 103 16.204 -7.487 -7.156 1.00 0.00 H new ATOM 0 HB3 SER A 103 15.000 -6.343 -6.596 1.00 0.00 H new ATOM 0 HG SER A 103 16.279 -5.491 -8.332 1.00 0.00 H new ATOM 1587 N THR A 104 15.579 -4.930 -3.857 1.00 0.00 N ATOM 1588 CA THR A 104 15.419 -3.644 -3.192 1.00 0.00 C ATOM 1589 C THR A 104 16.035 -3.666 -1.797 1.00 0.00 C ATOM 1590 O THR A 104 16.709 -2.720 -1.390 1.00 0.00 O ATOM 1591 CB THR A 104 13.934 -3.250 -3.079 1.00 0.00 C ATOM 1592 OG1 THR A 104 13.453 -2.785 -4.344 1.00 0.00 O ATOM 1593 CG2 THR A 104 13.740 -2.169 -2.027 1.00 0.00 C ATOM 0 H THR A 104 14.821 -5.590 -3.685 1.00 0.00 H new ATOM 0 HA THR A 104 15.937 -2.906 -3.804 1.00 0.00 H new ATOM 0 HB THR A 104 13.368 -4.132 -2.779 1.00 0.00 H new ATOM 0 HG1 THR A 104 12.508 -2.538 -4.264 1.00 0.00 H new ATOM 0 HG21 THR A 104 12.684 -1.907 -1.965 1.00 0.00 H new ATOM 0 HG22 THR A 104 14.080 -2.538 -1.059 1.00 0.00 H new ATOM 0 HG23 THR A 104 14.317 -1.286 -2.302 1.00 0.00 H new ATOM 1601 N LYS A 105 15.800 -4.752 -1.069 1.00 0.00 N ATOM 1602 CA LYS A 105 16.333 -4.900 0.280 1.00 0.00 C ATOM 1603 C LYS A 105 17.781 -4.426 0.348 1.00 0.00 C ATOM 1604 O LYS A 105 18.218 -3.880 1.360 1.00 0.00 O ATOM 1605 CB LYS A 105 16.241 -6.359 0.730 1.00 0.00 C ATOM 1606 CG LYS A 105 16.605 -6.570 2.190 1.00 0.00 C ATOM 1607 CD LYS A 105 16.118 -7.917 2.697 1.00 0.00 C ATOM 1608 CE LYS A 105 14.649 -7.867 3.087 1.00 0.00 C ATOM 1609 NZ LYS A 105 14.457 -7.325 4.461 1.00 0.00 N ATOM 0 H LYS A 105 15.243 -5.544 -1.391 1.00 0.00 H new ATOM 0 HA LYS A 105 15.735 -4.282 0.950 1.00 0.00 H new ATOM 0 HB2 LYS A 105 15.226 -6.719 0.562 1.00 0.00 H new ATOM 0 HB3 LYS A 105 16.901 -6.964 0.109 1.00 0.00 H new ATOM 0 HG2 LYS A 105 17.686 -6.505 2.309 1.00 0.00 H new ATOM 0 HG3 LYS A 105 16.169 -5.774 2.793 1.00 0.00 H new ATOM 0 HD2 LYS A 105 16.265 -8.672 1.925 1.00 0.00 H new ATOM 0 HD3 LYS A 105 16.714 -8.220 3.558 1.00 0.00 H new ATOM 0 HE2 LYS A 105 14.105 -7.248 2.373 1.00 0.00 H new ATOM 0 HE3 LYS A 105 14.224 -8.869 3.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 13.442 -7.307 4.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 14.955 -7.929 5.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 14.840 -6.359 4.510 1.00 0.00 H new ATOM 1623 N GLU A 106 18.519 -4.637 -0.738 1.00 0.00 N ATOM 1624 CA GLU A 106 19.918 -4.231 -0.800 1.00 0.00 C ATOM 1625 C GLU A 106 20.079 -2.769 -0.392 1.00 0.00 C ATOM 1626 O GLU A 106 20.897 -2.439 0.467 1.00 0.00 O ATOM 1627 CB GLU A 106 20.471 -4.442 -2.211 1.00 0.00 C ATOM 1628 CG GLU A 106 20.513 -5.900 -2.637 1.00 0.00 C ATOM 1629 CD GLU A 106 21.474 -6.145 -3.783 1.00 0.00 C ATOM 1630 OE1 GLU A 106 22.509 -5.450 -3.848 1.00 0.00 O ATOM 1631 OE2 GLU A 106 21.191 -7.032 -4.616 1.00 0.00 O ATOM 0 H GLU A 106 18.172 -5.086 -1.585 1.00 0.00 H new ATOM 0 HA GLU A 106 20.481 -4.849 -0.101 1.00 0.00 H new ATOM 0 HB2 GLU A 106 19.859 -3.883 -2.919 1.00 0.00 H new ATOM 0 HB3 GLU A 106 21.478 -4.028 -2.263 1.00 0.00 H new ATOM 0 HG2 GLU A 106 20.804 -6.515 -1.786 1.00 0.00 H new ATOM 0 HG3 GLU A 106 19.513 -6.217 -2.932 1.00 0.00 H new ATOM 1638 N HIS A 107 19.292 -1.897 -1.016 1.00 0.00 N ATOM 1639 CA HIS A 107 19.346 -0.470 -0.718 1.00 0.00 C ATOM 1640 C HIS A 107 19.162 -0.219 0.775 1.00 0.00 C ATOM 1641 O HIS A 107 19.915 0.542 1.385 1.00 0.00 O ATOM 1642 CB HIS A 107 18.273 0.278 -1.509 1.00 0.00 C ATOM 1643 CG HIS A 107 18.299 1.761 -1.300 1.00 0.00 C ATOM 1644 ND1 HIS A 107 19.175 2.599 -1.957 1.00 0.00 N ATOM 1645 CD2 HIS A 107 17.549 2.555 -0.501 1.00 0.00 C ATOM 1646 CE1 HIS A 107 18.963 3.844 -1.571 1.00 0.00 C ATOM 1647 NE2 HIS A 107 17.981 3.845 -0.688 1.00 0.00 N ATOM 0 H HIS A 107 18.610 -2.154 -1.730 1.00 0.00 H new ATOM 0 HA HIS A 107 20.328 -0.100 -1.012 1.00 0.00 H new ATOM 0 HB2 HIS A 107 18.402 0.067 -2.570 1.00 0.00 H new ATOM 0 HB3 HIS A 107 17.292 -0.103 -1.225 1.00 0.00 H new ATOM 0 HD2 HIS A 107 16.758 2.234 0.161 1.00 0.00 H new ATOM 0 HE1 HIS A 107 19.501 4.714 -1.918 1.00 0.00 H new ATOM 0 HE2 HIS A 107 17.605 4.670 -0.221 1.00 0.00 H new ATOM 1655 N PHE A 108 18.157 -0.862 1.359 1.00 0.00 N ATOM 1656 CA PHE A 108 17.873 -0.707 2.781 1.00 0.00 C ATOM 1657 C PHE A 108 19.049 -1.189 3.626 1.00 0.00 C ATOM 1658 O PHE A 108 19.380 -0.588 4.648 1.00 0.00 O ATOM 1659 CB PHE A 108 16.609 -1.482 3.158 1.00 0.00 C ATOM 1660 CG PHE A 108 15.345 -0.692 2.977 1.00 0.00 C ATOM 1661 CD1 PHE A 108 15.069 -0.067 1.771 1.00 0.00 C ATOM 1662 CD2 PHE A 108 14.432 -0.573 4.013 1.00 0.00 C ATOM 1663 CE1 PHE A 108 13.907 0.661 1.602 1.00 0.00 C ATOM 1664 CE2 PHE A 108 13.268 0.154 3.850 1.00 0.00 C ATOM 1665 CZ PHE A 108 13.005 0.771 2.642 1.00 0.00 C ATOM 0 H PHE A 108 17.525 -1.496 0.870 1.00 0.00 H new ATOM 0 HA PHE A 108 17.714 0.353 2.981 1.00 0.00 H new ATOM 0 HB2 PHE A 108 16.553 -2.386 2.552 1.00 0.00 H new ATOM 0 HB3 PHE A 108 16.684 -1.799 4.198 1.00 0.00 H new ATOM 0 HD1 PHE A 108 15.770 -0.150 0.954 1.00 0.00 H new ATOM 0 HD2 PHE A 108 14.633 -1.054 4.959 1.00 0.00 H new ATOM 0 HE1 PHE A 108 13.704 1.144 0.657 1.00 0.00 H new ATOM 0 HE2 PHE A 108 12.565 0.240 4.665 1.00 0.00 H new ATOM 0 HZ PHE A 108 12.095 1.338 2.511 1.00 0.00 H new ATOM 1675 N ALA A 109 19.675 -2.277 3.192 1.00 0.00 N ATOM 1676 CA ALA A 109 20.815 -2.839 3.907 1.00 0.00 C ATOM 1677 C ALA A 109 21.801 -1.749 4.311 1.00 0.00 C ATOM 1678 O ALA A 109 22.320 -1.751 5.427 1.00 0.00 O ATOM 1679 CB ALA A 109 21.508 -3.890 3.052 1.00 0.00 C ATOM 0 H ALA A 109 19.413 -2.787 2.349 1.00 0.00 H new ATOM 0 HA ALA A 109 20.445 -3.312 4.816 1.00 0.00 H new ATOM 0 HB1 ALA A 109 22.357 -4.301 3.598 1.00 0.00 H new ATOM 0 HB2 ALA A 109 20.805 -4.690 2.818 1.00 0.00 H new ATOM 0 HB3 ALA A 109 21.859 -3.433 2.127 1.00 0.00 H new ATOM 1685 N ARG A 110 22.056 -0.819 3.396 1.00 0.00 N ATOM 1686 CA ARG A 110 22.982 0.276 3.657 1.00 0.00 C ATOM 1687 C ARG A 110 22.522 1.104 4.853 1.00 0.00 C ATOM 1688 O ARG A 110 23.304 1.393 5.758 1.00 0.00 O ATOM 1689 CB ARG A 110 23.109 1.170 2.422 1.00 0.00 C ATOM 1690 CG ARG A 110 23.447 0.409 1.151 1.00 0.00 C ATOM 1691 CD ARG A 110 23.208 1.259 -0.087 1.00 0.00 C ATOM 1692 NE ARG A 110 24.391 2.029 -0.460 1.00 0.00 N ATOM 1693 CZ ARG A 110 25.540 1.476 -0.833 1.00 0.00 C ATOM 1694 NH1 ARG A 110 25.660 0.157 -0.883 1.00 0.00 N ATOM 1695 NH2 ARG A 110 26.573 2.244 -1.157 1.00 0.00 N ATOM 0 H ARG A 110 21.634 -0.802 2.467 1.00 0.00 H new ATOM 0 HA ARG A 110 23.957 -0.153 3.888 1.00 0.00 H new ATOM 0 HB2 ARG A 110 22.172 1.707 2.275 1.00 0.00 H new ATOM 0 HB3 ARG A 110 23.881 1.918 2.603 1.00 0.00 H new ATOM 0 HG2 ARG A 110 24.490 0.093 1.181 1.00 0.00 H new ATOM 0 HG3 ARG A 110 22.841 -0.496 1.095 1.00 0.00 H new ATOM 0 HD2 ARG A 110 22.918 0.616 -0.918 1.00 0.00 H new ATOM 0 HD3 ARG A 110 22.376 1.939 0.095 1.00 0.00 H new ATOM 0 HE ARG A 110 24.332 3.047 -0.433 1.00 0.00 H new ATOM 0 HH11 ARG A 110 24.869 -0.437 -0.635 1.00 0.00 H new ATOM 0 HH12 ARG A 110 26.544 -0.264 -1.170 1.00 0.00 H new ATOM 0 HH21 ARG A 110 26.485 3.260 -1.120 1.00 0.00 H new ATOM 0 HH22 ARG A 110 27.455 1.819 -1.443 1.00 0.00 H new ATOM 1709 N GLU A 111 21.247 1.482 4.849 1.00 0.00 N ATOM 1710 CA GLU A 111 20.684 2.278 5.933 1.00 0.00 C ATOM 1711 C GLU A 111 20.932 1.612 7.283 1.00 0.00 C ATOM 1712 O GLU A 111 21.308 2.270 8.253 1.00 0.00 O ATOM 1713 CB GLU A 111 19.182 2.480 5.720 1.00 0.00 C ATOM 1714 CG GLU A 111 18.852 3.497 4.640 1.00 0.00 C ATOM 1715 CD GLU A 111 19.280 4.903 5.012 1.00 0.00 C ATOM 1716 OE1 GLU A 111 18.975 5.338 6.142 1.00 0.00 O ATOM 1717 OE2 GLU A 111 19.922 5.568 4.172 1.00 0.00 O ATOM 0 H GLU A 111 20.586 1.250 4.108 1.00 0.00 H new ATOM 0 HA GLU A 111 21.178 3.249 5.930 1.00 0.00 H new ATOM 0 HB2 GLU A 111 18.729 1.524 5.458 1.00 0.00 H new ATOM 0 HB3 GLU A 111 18.730 2.800 6.659 1.00 0.00 H new ATOM 0 HG2 GLU A 111 19.342 3.206 3.711 1.00 0.00 H new ATOM 0 HG3 GLU A 111 17.778 3.486 4.452 1.00 0.00 H new ATOM 1724 N TYR A 112 20.719 0.302 7.337 1.00 0.00 N ATOM 1725 CA TYR A 112 20.916 -0.454 8.568 1.00 0.00 C ATOM 1726 C TYR A 112 22.336 -0.276 9.096 1.00 0.00 C ATOM 1727 O TYR A 112 22.548 -0.100 10.296 1.00 0.00 O ATOM 1728 CB TYR A 112 20.631 -1.938 8.331 1.00 0.00 C ATOM 1729 CG TYR A 112 19.179 -2.315 8.528 1.00 0.00 C ATOM 1730 CD1 TYR A 112 18.191 -1.808 7.694 1.00 0.00 C ATOM 1731 CD2 TYR A 112 18.797 -3.177 9.549 1.00 0.00 C ATOM 1732 CE1 TYR A 112 16.863 -2.148 7.871 1.00 0.00 C ATOM 1733 CE2 TYR A 112 17.473 -3.524 9.731 1.00 0.00 C ATOM 1734 CZ TYR A 112 16.510 -3.007 8.890 1.00 0.00 C ATOM 1735 OH TYR A 112 15.189 -3.350 9.070 1.00 0.00 O ATOM 0 H TYR A 112 20.410 -0.258 6.543 1.00 0.00 H new ATOM 0 HA TYR A 112 20.220 -0.071 9.314 1.00 0.00 H new ATOM 0 HB2 TYR A 112 20.931 -2.199 7.316 1.00 0.00 H new ATOM 0 HB3 TYR A 112 21.247 -2.530 9.008 1.00 0.00 H new ATOM 0 HD1 TYR A 112 18.465 -1.137 6.894 1.00 0.00 H new ATOM 0 HD2 TYR A 112 19.548 -3.582 10.211 1.00 0.00 H new ATOM 0 HE1 TYR A 112 16.106 -1.743 7.215 1.00 0.00 H new ATOM 0 HE2 TYR A 112 17.193 -4.197 10.528 1.00 0.00 H new ATOM 0 HH TYR A 112 15.111 -3.964 9.830 1.00 0.00 H new ATOM 1745 N ASP A 113 23.307 -0.322 8.189 1.00 0.00 N ATOM 1746 CA ASP A 113 24.708 -0.164 8.561 1.00 0.00 C ATOM 1747 C ASP A 113 25.007 1.281 8.949 1.00 0.00 C ATOM 1748 O ASP A 113 25.805 1.539 9.852 1.00 0.00 O ATOM 1749 CB ASP A 113 25.615 -0.593 7.407 1.00 0.00 C ATOM 1750 CG ASP A 113 27.005 0.004 7.510 1.00 0.00 C ATOM 1751 OD1 ASP A 113 27.801 -0.484 8.339 1.00 0.00 O ATOM 1752 OD2 ASP A 113 27.296 0.959 6.760 1.00 0.00 O ATOM 0 H ASP A 113 23.149 -0.467 7.192 1.00 0.00 H new ATOM 0 HA ASP A 113 24.904 -0.801 9.423 1.00 0.00 H new ATOM 0 HB2 ASP A 113 25.690 -1.680 7.393 1.00 0.00 H new ATOM 0 HB3 ASP A 113 25.163 -0.292 6.462 1.00 0.00 H new TER 1757 ASP A 113