USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 898 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 10 TYR OH : rot -169:sc= 1.26 USER MOD Set 1.2: A 60 THR OG1 : rot 180:sc= 1.05 USER MOD Set 2.1: A 3 HIS : no HE2:sc= -0.407 K(o=-0.55,f=-5.6) USER MOD Set 2.2: A 4 MET CE :methyl 170:sc= -0.143 (180deg=-0.0907) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.19 X(o=-0.19,f=-0.28) USER MOD Single : A 19 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-3.2!) USER MOD Single : A 23 THR OG1 : rot 170:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 145:sc= 0.00693 USER MOD Single : A 36 ASN : amide:sc= -0.015 K(o=-0.015,f=-1.1) USER MOD Single : A 40 GLN : amide:sc= -0.0145 X(o=-0.014,f=0) USER MOD Single : A 41 MET CE :methyl 146:sc= -1.01 (180deg=-6.91!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.177 K(o=-0.18,f=-1.6!) USER MOD Single : A 45 THR OG1 : rot -15:sc= 1.22 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 38:sc= 0.332 USER MOD Single : A 50 ASN : amide:sc= -0.0222 X(o=-0.022,f=-0.034) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0408 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0.00471 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.351 X(o=-0.35,f=-0.01) USER MOD Single : A 64 HIS : no HD1:sc= -0.778 X(o=-0.78,f=-0.69) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -127:sc= 0.8 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 83 GLN : amide:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 86 TYR OH : rot -140:sc= 1.21 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.625 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0.887 K(o=0.89,f=0) USER MOD Single : A 102 HIS : no HD1:sc= -0.0344 K(o=-0.034,f=-0.66) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl -143:sc= -0.487 (180deg=-1.3) USER MOD Single : A 113 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.49) USER MOD Single : A 115 GLN : amide:sc= -0.145 K(o=-0.14,f=-3!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 19 N HIS A 3 -12.577 -5.875 6.629 1.00 0.00 N ATOM 20 CA HIS A 3 -11.966 -5.178 5.494 1.00 0.00 C ATOM 21 C HIS A 3 -11.835 -6.119 4.301 1.00 0.00 C ATOM 22 O HIS A 3 -12.060 -5.699 3.169 1.00 0.00 O ATOM 23 CB HIS A 3 -10.591 -4.568 5.791 1.00 0.00 C ATOM 24 CG HIS A 3 -9.567 -5.561 6.260 1.00 0.00 C ATOM 25 ND1 HIS A 3 -9.624 -6.286 7.427 1.00 0.00 N ATOM 26 CD2 HIS A 3 -8.502 -6.013 5.533 1.00 0.00 C ATOM 27 CE1 HIS A 3 -8.646 -7.196 7.376 1.00 0.00 C ATOM 28 NE2 HIS A 3 -7.933 -7.065 6.250 1.00 0.00 N ATOM 0 HA HIS A 3 -12.640 -4.350 5.272 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -10.221 -4.079 4.890 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -10.705 -3.794 6.550 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -10.289 -6.154 8.189 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -8.164 -5.628 4.582 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.457 -7.936 8.139 1.00 0.00 H new ATOM 36 N MET A 4 -11.518 -7.396 4.556 1.00 0.00 N ATOM 37 CA MET A 4 -11.320 -8.411 3.523 1.00 0.00 C ATOM 38 C MET A 4 -12.516 -8.515 2.578 1.00 0.00 C ATOM 39 O MET A 4 -12.341 -8.912 1.432 1.00 0.00 O ATOM 40 CB MET A 4 -11.063 -9.780 4.176 1.00 0.00 C ATOM 41 CG MET A 4 -9.628 -9.904 4.688 1.00 0.00 C ATOM 42 SD MET A 4 -8.405 -10.161 3.370 1.00 0.00 S ATOM 43 CE MET A 4 -7.117 -8.999 3.891 1.00 0.00 C ATOM 0 H MET A 4 -11.391 -7.754 5.503 1.00 0.00 H new ATOM 0 HA MET A 4 -10.455 -8.108 2.933 1.00 0.00 H new ATOM 0 HB2 MET A 4 -11.758 -9.924 5.003 1.00 0.00 H new ATOM 0 HB3 MET A 4 -11.260 -10.571 3.452 1.00 0.00 H new ATOM 0 HG2 MET A 4 -9.369 -9.001 5.241 1.00 0.00 H new ATOM 0 HG3 MET A 4 -9.572 -10.735 5.391 1.00 0.00 H new ATOM 0 HE1 MET A 4 -6.220 -9.158 3.293 1.00 0.00 H new ATOM 0 HE2 MET A 4 -7.470 -7.977 3.751 1.00 0.00 H new ATOM 0 HE3 MET A 4 -6.885 -9.161 4.944 1.00 0.00 H new ATOM 53 N GLU A 5 -13.717 -8.184 3.054 1.00 0.00 N ATOM 54 CA GLU A 5 -14.950 -8.144 2.279 1.00 0.00 C ATOM 55 C GLU A 5 -14.818 -7.237 1.047 1.00 0.00 C ATOM 56 O GLU A 5 -14.908 -7.723 -0.077 1.00 0.00 O ATOM 57 CB GLU A 5 -16.157 -7.823 3.176 1.00 0.00 C ATOM 58 CG GLU A 5 -15.927 -6.717 4.218 1.00 0.00 C ATOM 59 CD GLU A 5 -17.139 -6.493 5.130 1.00 0.00 C ATOM 60 OE1 GLU A 5 -17.857 -7.468 5.456 1.00 0.00 O ATOM 61 OE2 GLU A 5 -17.350 -5.352 5.587 1.00 0.00 O ATOM 0 H GLU A 5 -13.859 -7.926 4.031 1.00 0.00 H new ATOM 0 HA GLU A 5 -15.140 -9.139 1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -16.993 -7.532 2.541 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -16.454 -8.733 3.697 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.062 -6.975 4.829 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.688 -5.786 3.705 1.00 0.00 H new ATOM 68 N VAL A 6 -14.541 -5.947 1.247 1.00 0.00 N ATOM 69 CA VAL A 6 -14.450 -4.939 0.188 1.00 0.00 C ATOM 70 C VAL A 6 -13.406 -5.335 -0.859 1.00 0.00 C ATOM 71 O VAL A 6 -13.582 -5.096 -2.057 1.00 0.00 O ATOM 72 CB VAL A 6 -14.100 -3.581 0.841 1.00 0.00 C ATOM 73 CG1 VAL A 6 -13.888 -2.453 -0.182 1.00 0.00 C ATOM 74 CG2 VAL A 6 -15.173 -3.137 1.846 1.00 0.00 C ATOM 0 H VAL A 6 -14.369 -5.564 2.176 1.00 0.00 H new ATOM 0 HA VAL A 6 -15.405 -4.861 -0.332 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.157 -3.755 1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.646 -1.528 0.341 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -13.068 -2.717 -0.850 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.799 -2.313 -0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -14.889 -2.179 2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -16.130 -3.034 1.335 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.263 -3.883 2.636 1.00 0.00 H new ATOM 84 N PHE A 7 -12.292 -5.903 -0.400 1.00 0.00 N ATOM 85 CA PHE A 7 -11.124 -6.142 -1.227 1.00 0.00 C ATOM 86 C PHE A 7 -11.184 -7.491 -1.942 1.00 0.00 C ATOM 87 O PHE A 7 -10.429 -7.702 -2.898 1.00 0.00 O ATOM 88 CB PHE A 7 -9.884 -6.024 -0.338 1.00 0.00 C ATOM 89 CG PHE A 7 -9.631 -4.624 0.192 1.00 0.00 C ATOM 90 CD1 PHE A 7 -9.479 -3.536 -0.694 1.00 0.00 C ATOM 91 CD2 PHE A 7 -9.514 -4.410 1.577 1.00 0.00 C ATOM 92 CE1 PHE A 7 -9.206 -2.250 -0.196 1.00 0.00 C ATOM 93 CE2 PHE A 7 -9.197 -3.134 2.067 1.00 0.00 C ATOM 94 CZ PHE A 7 -9.046 -2.053 1.183 1.00 0.00 C ATOM 0 H PHE A 7 -12.180 -6.211 0.566 1.00 0.00 H new ATOM 0 HA PHE A 7 -11.085 -5.397 -2.021 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -9.989 -6.707 0.505 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -9.012 -6.349 -0.905 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -9.573 -3.692 -1.759 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -9.668 -5.229 2.264 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -9.120 -1.415 -0.875 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -9.069 -2.982 3.129 1.00 0.00 H new ATOM 0 HZ PHE A 7 -8.807 -1.071 1.565 1.00 0.00 H new ATOM 104 N ALA A 8 -12.072 -8.396 -1.523 1.00 0.00 N ATOM 105 CA ALA A 8 -12.170 -9.750 -2.047 1.00 0.00 C ATOM 106 C ALA A 8 -12.527 -9.752 -3.524 1.00 0.00 C ATOM 107 O ALA A 8 -12.019 -10.585 -4.280 1.00 0.00 O ATOM 108 CB ALA A 8 -13.235 -10.503 -1.266 1.00 0.00 C ATOM 0 H ALA A 8 -12.756 -8.198 -0.793 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.200 -10.235 -1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.317 -11.520 -1.650 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.959 -10.535 -0.212 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -14.193 -9.995 -1.375 1.00 0.00 H new ATOM 114 N GLU A 9 -13.354 -8.788 -3.930 1.00 0.00 N ATOM 115 CA GLU A 9 -13.789 -8.582 -5.302 1.00 0.00 C ATOM 116 C GLU A 9 -12.647 -8.219 -6.253 1.00 0.00 C ATOM 117 O GLU A 9 -12.863 -8.184 -7.464 1.00 0.00 O ATOM 118 CB GLU A 9 -14.821 -7.453 -5.334 1.00 0.00 C ATOM 119 CG GLU A 9 -16.166 -7.825 -4.709 1.00 0.00 C ATOM 120 CD GLU A 9 -17.154 -6.698 -4.973 1.00 0.00 C ATOM 121 OE1 GLU A 9 -16.962 -5.584 -4.429 1.00 0.00 O ATOM 122 OE2 GLU A 9 -18.101 -6.898 -5.765 1.00 0.00 O ATOM 0 H GLU A 9 -13.751 -8.106 -3.284 1.00 0.00 H new ATOM 0 HA GLU A 9 -14.210 -9.528 -5.644 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.415 -6.588 -4.810 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.983 -7.152 -6.369 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -16.535 -8.758 -5.134 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -16.053 -7.985 -3.637 1.00 0.00 H new ATOM 129 N TYR A 10 -11.448 -7.949 -5.735 1.00 0.00 N ATOM 130 CA TYR A 10 -10.248 -7.746 -6.528 1.00 0.00 C ATOM 131 C TYR A 10 -9.249 -8.877 -6.300 1.00 0.00 C ATOM 132 O TYR A 10 -8.647 -9.358 -7.255 1.00 0.00 O ATOM 133 CB TYR A 10 -9.675 -6.371 -6.209 1.00 0.00 C ATOM 134 CG TYR A 10 -8.446 -6.061 -7.025 1.00 0.00 C ATOM 135 CD1 TYR A 10 -8.596 -5.686 -8.371 1.00 0.00 C ATOM 136 CD2 TYR A 10 -7.163 -6.239 -6.475 1.00 0.00 C ATOM 137 CE1 TYR A 10 -7.462 -5.514 -9.177 1.00 0.00 C ATOM 138 CE2 TYR A 10 -6.023 -6.073 -7.275 1.00 0.00 C ATOM 139 CZ TYR A 10 -6.178 -5.726 -8.638 1.00 0.00 C ATOM 140 OH TYR A 10 -5.101 -5.596 -9.452 1.00 0.00 O ATOM 0 H TYR A 10 -11.287 -7.865 -4.731 1.00 0.00 H new ATOM 0 HA TYR A 10 -10.488 -7.772 -7.591 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -10.434 -5.611 -6.396 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.427 -6.320 -5.149 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -9.582 -5.531 -8.783 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -7.056 -6.504 -5.434 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.573 -5.219 -10.210 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.037 -6.209 -6.855 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.304 -5.942 -8.998 1.00 0.00 H new ATOM 150 N LEU A 11 -9.153 -9.408 -5.072 1.00 0.00 N ATOM 151 CA LEU A 11 -8.371 -10.623 -4.809 1.00 0.00 C ATOM 152 C LEU A 11 -8.785 -11.759 -5.744 1.00 0.00 C ATOM 153 O LEU A 11 -7.953 -12.584 -6.119 1.00 0.00 O ATOM 154 CB LEU A 11 -8.543 -11.108 -3.362 1.00 0.00 C ATOM 155 CG LEU A 11 -8.038 -10.163 -2.262 1.00 0.00 C ATOM 156 CD1 LEU A 11 -8.204 -10.869 -0.919 1.00 0.00 C ATOM 157 CD2 LEU A 11 -6.586 -9.751 -2.486 1.00 0.00 C ATOM 0 H LEU A 11 -9.607 -9.015 -4.247 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.328 -10.359 -4.982 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.602 -11.299 -3.189 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.026 -12.062 -3.257 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.623 -9.243 -2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.852 -10.217 -0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.256 -11.104 -0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.623 -11.791 -0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.270 -9.083 -1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.953 -10.638 -2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.497 -9.237 -3.443 1.00 0.00 H new ATOM 169 N LYS A 12 -10.073 -11.813 -6.102 1.00 0.00 N ATOM 170 CA LYS A 12 -10.638 -12.825 -6.992 1.00 0.00 C ATOM 171 C LYS A 12 -9.923 -12.926 -8.338 1.00 0.00 C ATOM 172 O LYS A 12 -9.851 -14.016 -8.900 1.00 0.00 O ATOM 173 CB LYS A 12 -12.136 -12.570 -7.188 1.00 0.00 C ATOM 174 CG LYS A 12 -12.465 -11.432 -8.168 1.00 0.00 C ATOM 175 CD LYS A 12 -13.961 -11.124 -8.189 1.00 0.00 C ATOM 176 CE LYS A 12 -14.740 -12.314 -8.743 1.00 0.00 C ATOM 177 NZ LYS A 12 -16.188 -12.067 -8.704 1.00 0.00 N ATOM 0 H LYS A 12 -10.763 -11.139 -5.772 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.488 -13.789 -6.506 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.604 -13.487 -7.545 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.582 -12.340 -6.221 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.912 -10.536 -7.885 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.135 -11.707 -9.170 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -14.306 -10.893 -7.181 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.149 -10.241 -8.800 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.429 -12.509 -9.769 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -14.505 -13.207 -8.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.691 -12.893 -9.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -16.486 -11.905 -7.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.413 -11.229 -9.277 1.00 0.00 H new ATOM 191 N GLY A 13 -9.452 -11.809 -8.889 1.00 0.00 N ATOM 192 CA GLY A 13 -8.957 -11.765 -10.257 1.00 0.00 C ATOM 193 C GLY A 13 -7.442 -11.821 -10.336 1.00 0.00 C ATOM 194 O GLY A 13 -6.900 -11.784 -11.445 1.00 0.00 O ATOM 0 H GLY A 13 -9.404 -10.915 -8.400 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.377 -12.600 -10.818 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.308 -10.851 -10.736 1.00 0.00 H new ATOM 198 N ILE A 14 -6.748 -11.899 -9.199 1.00 0.00 N ATOM 199 CA ILE A 14 -5.311 -12.089 -9.161 1.00 0.00 C ATOM 200 C ILE A 14 -5.050 -13.540 -9.573 1.00 0.00 C ATOM 201 O ILE A 14 -5.003 -14.450 -8.746 1.00 0.00 O ATOM 202 CB ILE A 14 -4.738 -11.687 -7.783 1.00 0.00 C ATOM 203 CG1 ILE A 14 -5.096 -10.217 -7.447 1.00 0.00 C ATOM 204 CG2 ILE A 14 -3.209 -11.884 -7.772 1.00 0.00 C ATOM 205 CD1 ILE A 14 -4.626 -9.731 -6.070 1.00 0.00 C ATOM 0 H ILE A 14 -7.178 -11.831 -8.276 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.785 -11.438 -9.859 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.183 -12.327 -7.021 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.663 -9.570 -8.210 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.178 -10.100 -7.506 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.812 -11.599 -6.798 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.976 -12.931 -7.966 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.756 -11.262 -8.544 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.924 -8.692 -5.930 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.079 -10.347 -5.293 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.541 -9.809 -6.008 1.00 0.00 H new ATOM 217 N ASP A 15 -4.845 -13.745 -10.875 1.00 0.00 N ATOM 218 CA ASP A 15 -4.559 -15.023 -11.549 1.00 0.00 C ATOM 219 C ASP A 15 -3.244 -15.675 -11.085 1.00 0.00 C ATOM 220 O ASP A 15 -2.863 -16.761 -11.532 1.00 0.00 O ATOM 221 CB ASP A 15 -4.496 -14.767 -13.066 1.00 0.00 C ATOM 222 CG ASP A 15 -5.384 -15.723 -13.849 1.00 0.00 C ATOM 223 OD1 ASP A 15 -5.027 -16.910 -14.043 1.00 0.00 O ATOM 224 OD2 ASP A 15 -6.437 -15.254 -14.345 1.00 0.00 O ATOM 0 H ASP A 15 -4.876 -12.970 -11.538 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.358 -15.719 -11.291 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.800 -13.741 -13.272 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.466 -14.869 -13.407 1.00 0.00 H new ATOM 229 N HIS A 16 -2.530 -14.989 -10.192 1.00 0.00 N ATOM 230 CA HIS A 16 -1.238 -15.300 -9.628 1.00 0.00 C ATOM 231 C HIS A 16 -1.390 -15.571 -8.118 1.00 0.00 C ATOM 232 O HIS A 16 -0.832 -14.828 -7.312 1.00 0.00 O ATOM 233 CB HIS A 16 -0.298 -14.127 -10.008 1.00 0.00 C ATOM 234 CG HIS A 16 0.527 -14.343 -11.257 1.00 0.00 C ATOM 235 ND1 HIS A 16 0.888 -15.548 -11.821 1.00 0.00 N ATOM 236 CD2 HIS A 16 1.124 -13.356 -11.995 1.00 0.00 C ATOM 237 CE1 HIS A 16 1.694 -15.295 -12.860 1.00 0.00 C ATOM 238 NE2 HIS A 16 1.858 -13.970 -13.020 1.00 0.00 N ATOM 0 H HIS A 16 -2.890 -14.113 -9.814 1.00 0.00 H new ATOM 0 HA HIS A 16 -0.794 -16.214 -10.022 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -0.900 -13.228 -10.140 1.00 0.00 H new ATOM 0 HB3 HIS A 16 0.377 -13.938 -9.174 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.044 -12.293 -11.819 1.00 0.00 H new ATOM 0 HE1 HIS A 16 2.149 -16.051 -13.483 1.00 0.00 H new ATOM 0 HE2 HIS A 16 2.407 -13.504 -13.743 1.00 0.00 H new ATOM 246 N PRO A 17 -2.070 -16.661 -7.707 1.00 0.00 N ATOM 247 CA PRO A 17 -2.301 -16.997 -6.298 1.00 0.00 C ATOM 248 C PRO A 17 -1.013 -17.306 -5.532 1.00 0.00 C ATOM 249 O PRO A 17 -0.989 -17.175 -4.311 1.00 0.00 O ATOM 250 CB PRO A 17 -3.211 -18.227 -6.315 1.00 0.00 C ATOM 251 CG PRO A 17 -2.843 -18.895 -7.635 1.00 0.00 C ATOM 252 CD PRO A 17 -2.638 -17.701 -8.552 1.00 0.00 C ATOM 0 HA PRO A 17 -2.744 -16.146 -5.782 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.024 -18.881 -5.464 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.265 -17.952 -6.280 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.941 -19.501 -7.547 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.635 -19.553 -7.993 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.968 -17.948 -9.376 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.581 -17.378 -8.994 1.00 0.00 H new ATOM 260 N ASP A 18 0.057 -17.679 -6.236 1.00 0.00 N ATOM 261 CA ASP A 18 1.401 -17.900 -5.697 1.00 0.00 C ATOM 262 C ASP A 18 2.083 -16.591 -5.290 1.00 0.00 C ATOM 263 O ASP A 18 3.203 -16.607 -4.772 1.00 0.00 O ATOM 264 CB ASP A 18 2.253 -18.610 -6.762 1.00 0.00 C ATOM 265 CG ASP A 18 1.997 -20.104 -6.876 1.00 0.00 C ATOM 266 OD1 ASP A 18 1.489 -20.734 -5.920 1.00 0.00 O ATOM 267 OD2 ASP A 18 2.251 -20.625 -7.988 1.00 0.00 O ATOM 0 H ASP A 18 0.009 -17.843 -7.242 1.00 0.00 H new ATOM 0 HA ASP A 18 1.309 -18.513 -4.801 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.064 -18.146 -7.730 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.307 -18.450 -6.533 1.00 0.00 H new ATOM 272 N HIS A 19 1.443 -15.449 -5.554 1.00 0.00 N ATOM 273 CA HIS A 19 1.992 -14.122 -5.312 1.00 0.00 C ATOM 274 C HIS A 19 0.867 -13.148 -4.929 1.00 0.00 C ATOM 275 O HIS A 19 1.036 -11.939 -5.048 1.00 0.00 O ATOM 276 CB HIS A 19 2.715 -13.621 -6.583 1.00 0.00 C ATOM 277 CG HIS A 19 3.203 -14.673 -7.555 1.00 0.00 C ATOM 278 ND1 HIS A 19 2.377 -15.297 -8.455 1.00 0.00 N ATOM 279 CD2 HIS A 19 4.455 -15.216 -7.700 1.00 0.00 C ATOM 280 CE1 HIS A 19 3.099 -16.186 -9.140 1.00 0.00 C ATOM 281 NE2 HIS A 19 4.377 -16.175 -8.729 1.00 0.00 N ATOM 0 H HIS A 19 0.504 -15.426 -5.952 1.00 0.00 H new ATOM 0 HA HIS A 19 2.706 -14.174 -4.490 1.00 0.00 H new ATOM 0 HB2 HIS A 19 2.038 -12.954 -7.117 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.572 -13.023 -6.272 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.336 -14.957 -7.131 1.00 0.00 H new ATOM 0 HE1 HIS A 19 2.709 -16.826 -9.918 1.00 0.00 H new ATOM 0 HE2 HIS A 19 5.140 -16.747 -9.090 1.00 0.00 H new ATOM 289 N ARG A 20 -0.309 -13.643 -4.539 1.00 0.00 N ATOM 290 CA ARG A 20 -1.470 -12.847 -4.165 1.00 0.00 C ATOM 291 C ARG A 20 -1.401 -12.504 -2.685 1.00 0.00 C ATOM 292 O ARG A 20 -1.603 -11.356 -2.319 1.00 0.00 O ATOM 293 CB ARG A 20 -2.744 -13.638 -4.511 1.00 0.00 C ATOM 294 CG ARG A 20 -4.031 -12.865 -4.174 1.00 0.00 C ATOM 295 CD ARG A 20 -4.844 -13.540 -3.074 1.00 0.00 C ATOM 296 NE ARG A 20 -5.571 -14.692 -3.610 1.00 0.00 N ATOM 297 CZ ARG A 20 -6.339 -15.532 -2.919 1.00 0.00 C ATOM 298 NH1 ARG A 20 -6.567 -15.352 -1.627 1.00 0.00 N ATOM 299 NH2 ARG A 20 -6.914 -16.539 -3.564 1.00 0.00 N ATOM 0 H ARG A 20 -0.481 -14.646 -4.474 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.486 -11.908 -4.718 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.739 -13.881 -5.573 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.739 -14.583 -3.967 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.773 -11.853 -3.862 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.643 -12.775 -5.071 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.183 -13.862 -2.270 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.547 -12.827 -2.643 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.480 -14.868 -4.611 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.151 -14.557 -1.142 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.159 -16.008 -1.117 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.763 -16.655 -4.566 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.507 -17.197 -3.058 1.00 0.00 H new ATOM 313 N ASP A 21 -1.132 -13.481 -1.833 1.00 0.00 N ATOM 314 CA ASP A 21 -1.243 -13.447 -0.373 1.00 0.00 C ATOM 315 C ASP A 21 -0.441 -12.313 0.258 1.00 0.00 C ATOM 316 O ASP A 21 -0.847 -11.764 1.271 1.00 0.00 O ATOM 317 CB ASP A 21 -0.657 -14.773 0.104 1.00 0.00 C ATOM 318 CG ASP A 21 -0.791 -15.125 1.579 1.00 0.00 C ATOM 319 OD1 ASP A 21 -1.637 -14.587 2.326 1.00 0.00 O ATOM 320 OD2 ASP A 21 0.041 -15.976 1.970 1.00 0.00 O ATOM 0 H ASP A 21 -0.805 -14.389 -2.164 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.283 -13.290 -0.087 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.124 -15.571 -0.473 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.404 -14.778 -0.145 1.00 0.00 H new ATOM 325 N ARG A 22 0.673 -11.893 -0.351 1.00 0.00 N ATOM 326 CA ARG A 22 1.463 -10.780 0.193 1.00 0.00 C ATOM 327 C ARG A 22 0.617 -9.502 0.304 1.00 0.00 C ATOM 328 O ARG A 22 0.750 -8.758 1.272 1.00 0.00 O ATOM 329 CB ARG A 22 2.734 -10.507 -0.628 1.00 0.00 C ATOM 330 CG ARG A 22 3.674 -11.694 -0.907 1.00 0.00 C ATOM 331 CD ARG A 22 4.189 -12.412 0.351 1.00 0.00 C ATOM 332 NE ARG A 22 3.329 -13.530 0.787 1.00 0.00 N ATOM 333 CZ ARG A 22 3.419 -14.114 1.992 1.00 0.00 C ATOM 334 NH1 ARG A 22 4.400 -13.821 2.839 1.00 0.00 N ATOM 335 NH2 ARG A 22 2.553 -15.025 2.402 1.00 0.00 N ATOM 0 H ARG A 22 1.045 -12.299 -1.209 1.00 0.00 H new ATOM 0 HA ARG A 22 1.777 -11.082 1.192 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.430 -10.087 -1.587 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.309 -9.738 -0.111 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.150 -12.416 -1.533 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.529 -11.336 -1.481 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.193 -12.791 0.158 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.272 -11.690 1.163 1.00 0.00 H new ATOM 0 HE ARG A 22 2.626 -13.879 0.135 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.110 -13.136 2.580 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.443 -14.281 3.748 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.783 -15.306 1.795 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.655 -15.446 3.325 1.00 0.00 H new ATOM 349 N THR A 23 -0.259 -9.248 -0.668 1.00 0.00 N ATOM 350 CA THR A 23 -1.178 -8.115 -0.644 1.00 0.00 C ATOM 351 C THR A 23 -2.198 -8.301 0.488 1.00 0.00 C ATOM 352 O THR A 23 -2.500 -7.338 1.181 1.00 0.00 O ATOM 353 CB THR A 23 -1.825 -7.969 -2.042 1.00 0.00 C ATOM 354 OG1 THR A 23 -0.819 -7.854 -3.030 1.00 0.00 O ATOM 355 CG2 THR A 23 -2.729 -6.745 -2.216 1.00 0.00 C ATOM 0 H THR A 23 -0.350 -9.830 -1.501 1.00 0.00 H new ATOM 0 HA THR A 23 -0.653 -7.183 -0.432 1.00 0.00 H new ATOM 0 HB THR A 23 -2.439 -8.864 -2.146 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.224 -7.924 -3.919 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.134 -6.732 -3.228 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.548 -6.793 -1.498 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.150 -5.838 -2.046 1.00 0.00 H new ATOM 363 N GLU A 24 -2.701 -9.514 0.727 1.00 0.00 N ATOM 364 CA GLU A 24 -3.566 -9.865 1.849 1.00 0.00 C ATOM 365 C GLU A 24 -2.886 -9.531 3.179 1.00 0.00 C ATOM 366 O GLU A 24 -3.523 -8.949 4.058 1.00 0.00 O ATOM 367 CB GLU A 24 -3.916 -11.363 1.782 1.00 0.00 C ATOM 368 CG GLU A 24 -5.312 -11.672 1.259 1.00 0.00 C ATOM 369 CD GLU A 24 -5.482 -13.169 1.053 1.00 0.00 C ATOM 370 OE1 GLU A 24 -5.106 -13.648 -0.039 1.00 0.00 O ATOM 371 OE2 GLU A 24 -5.992 -13.866 1.964 1.00 0.00 O ATOM 0 H GLU A 24 -2.507 -10.309 0.118 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.485 -9.282 1.785 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.186 -11.864 1.146 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.815 -11.790 2.780 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.060 -11.308 1.964 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.479 -11.148 0.318 1.00 0.00 H new ATOM 378 N GLU A 25 -1.602 -9.875 3.321 1.00 0.00 N ATOM 379 CA GLU A 25 -0.848 -9.619 4.541 1.00 0.00 C ATOM 380 C GLU A 25 -0.788 -8.116 4.812 1.00 0.00 C ATOM 381 O GLU A 25 -1.006 -7.697 5.949 1.00 0.00 O ATOM 382 CB GLU A 25 0.573 -10.199 4.484 1.00 0.00 C ATOM 383 CG GLU A 25 0.604 -11.698 4.163 1.00 0.00 C ATOM 384 CD GLU A 25 1.642 -12.468 4.976 1.00 0.00 C ATOM 385 OE1 GLU A 25 2.773 -11.971 5.192 1.00 0.00 O ATOM 386 OE2 GLU A 25 1.290 -13.582 5.432 1.00 0.00 O ATOM 0 H GLU A 25 -1.061 -10.338 2.591 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.370 -10.121 5.355 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.147 -9.661 3.730 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.066 -10.029 5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.382 -12.123 4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.812 -11.831 3.101 1.00 0.00 H new ATOM 393 N ILE A 26 -0.518 -7.317 3.771 1.00 0.00 N ATOM 394 CA ILE A 26 -0.497 -5.857 3.819 1.00 0.00 C ATOM 395 C ILE A 26 -1.885 -5.349 4.211 1.00 0.00 C ATOM 396 O ILE A 26 -1.991 -4.503 5.093 1.00 0.00 O ATOM 397 CB ILE A 26 -0.052 -5.286 2.450 1.00 0.00 C ATOM 398 CG1 ILE A 26 1.424 -5.639 2.168 1.00 0.00 C ATOM 399 CG2 ILE A 26 -0.241 -3.757 2.370 1.00 0.00 C ATOM 400 CD1 ILE A 26 1.858 -5.438 0.721 1.00 0.00 C ATOM 0 H ILE A 26 -0.302 -7.685 2.845 1.00 0.00 H new ATOM 0 HA ILE A 26 0.221 -5.519 4.566 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.689 -5.745 1.693 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.059 -5.031 2.812 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.594 -6.680 2.444 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.084 -3.401 1.392 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.293 -3.512 2.514 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.353 -3.276 3.147 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.908 -5.710 0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.252 -6.067 0.069 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.724 -4.393 0.443 1.00 0.00 H new ATOM 412 N LEU A 27 -2.944 -5.820 3.544 1.00 0.00 N ATOM 413 CA LEU A 27 -4.311 -5.353 3.768 1.00 0.00 C ATOM 414 C LEU A 27 -4.714 -5.606 5.227 1.00 0.00 C ATOM 415 O LEU A 27 -5.316 -4.732 5.847 1.00 0.00 O ATOM 416 CB LEU A 27 -5.293 -6.049 2.804 1.00 0.00 C ATOM 417 CG LEU A 27 -5.205 -5.665 1.313 1.00 0.00 C ATOM 418 CD1 LEU A 27 -5.880 -6.728 0.432 1.00 0.00 C ATOM 419 CD2 LEU A 27 -5.896 -4.332 1.037 1.00 0.00 C ATOM 0 H LEU A 27 -2.873 -6.543 2.828 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.352 -4.282 3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.141 -7.125 2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.307 -5.843 3.147 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.144 -5.590 1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.805 -6.434 -0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.384 -7.688 0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.930 -6.817 0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.815 -4.093 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.948 -4.404 1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.419 -3.547 1.624 1.00 0.00 H new ATOM 431 N SER A 28 -4.354 -6.766 5.782 1.00 0.00 N ATOM 432 CA SER A 28 -4.586 -7.105 7.180 1.00 0.00 C ATOM 433 C SER A 28 -3.779 -6.185 8.107 1.00 0.00 C ATOM 434 O SER A 28 -4.302 -5.707 9.117 1.00 0.00 O ATOM 435 CB SER A 28 -4.226 -8.584 7.373 1.00 0.00 C ATOM 436 OG SER A 28 -4.678 -9.082 8.618 1.00 0.00 O ATOM 0 H SER A 28 -3.885 -7.506 5.260 1.00 0.00 H new ATOM 0 HA SER A 28 -5.633 -6.955 7.442 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.665 -9.172 6.567 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.145 -8.706 7.305 1.00 0.00 H new ATOM 0 HG SER A 28 -4.431 -10.027 8.702 1.00 0.00 H new ATOM 442 N TRP A 29 -2.509 -5.935 7.779 1.00 0.00 N ATOM 443 CA TRP A 29 -1.588 -5.127 8.568 1.00 0.00 C ATOM 444 C TRP A 29 -2.009 -3.650 8.601 1.00 0.00 C ATOM 445 O TRP A 29 -1.928 -3.013 9.652 1.00 0.00 O ATOM 446 CB TRP A 29 -0.184 -5.330 7.984 1.00 0.00 C ATOM 447 CG TRP A 29 0.895 -4.444 8.502 1.00 0.00 C ATOM 448 CD1 TRP A 29 1.548 -4.582 9.674 1.00 0.00 C ATOM 449 CD2 TRP A 29 1.475 -3.279 7.856 1.00 0.00 C ATOM 450 NE1 TRP A 29 2.489 -3.581 9.799 1.00 0.00 N ATOM 451 CE2 TRP A 29 2.468 -2.732 8.717 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.262 -2.637 6.622 1.00 0.00 C ATOM 453 CZ2 TRP A 29 3.212 -1.598 8.372 1.00 0.00 C ATOM 454 CZ3 TRP A 29 2.022 -1.515 6.253 1.00 0.00 C ATOM 455 CH2 TRP A 29 3.008 -1.005 7.116 1.00 0.00 C ATOM 0 H TRP A 29 -2.084 -6.303 6.928 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.599 -5.445 9.611 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.111 -6.364 8.162 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.243 -5.197 6.904 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.363 -5.357 10.403 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.121 -3.483 10.594 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.504 -3.012 5.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.933 -1.185 9.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.848 -1.040 5.299 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.607 -0.159 6.813 1.00 0.00 H new ATOM 466 N VAL A 30 -2.507 -3.100 7.490 1.00 0.00 N ATOM 467 CA VAL A 30 -3.016 -1.732 7.439 1.00 0.00 C ATOM 468 C VAL A 30 -4.199 -1.588 8.405 1.00 0.00 C ATOM 469 O VAL A 30 -4.244 -0.620 9.167 1.00 0.00 O ATOM 470 CB VAL A 30 -3.346 -1.341 5.978 1.00 0.00 C ATOM 471 CG1 VAL A 30 -4.213 -0.077 5.858 1.00 0.00 C ATOM 472 CG2 VAL A 30 -2.056 -1.091 5.175 1.00 0.00 C ATOM 0 H VAL A 30 -2.567 -3.594 6.600 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.256 -1.026 7.773 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.908 -2.186 5.580 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.403 0.135 4.806 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.160 -0.235 6.373 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.691 0.767 6.310 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.312 -0.818 4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.491 -0.281 5.637 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.450 -1.997 5.168 1.00 0.00 H new ATOM 482 N ALA A 31 -5.120 -2.559 8.433 1.00 0.00 N ATOM 483 CA ALA A 31 -6.274 -2.541 9.331 1.00 0.00 C ATOM 484 C ALA A 31 -5.842 -2.576 10.804 1.00 0.00 C ATOM 485 O ALA A 31 -6.588 -2.115 11.676 1.00 0.00 O ATOM 486 CB ALA A 31 -7.199 -3.728 9.019 1.00 0.00 C ATOM 0 H ALA A 31 -5.083 -3.381 7.830 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.815 -1.609 9.167 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.056 -3.708 9.692 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.545 -3.658 7.988 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.652 -4.661 9.156 1.00 0.00 H new ATOM 492 N ALA A 32 -4.653 -3.115 11.083 1.00 0.00 N ATOM 493 CA ALA A 32 -4.098 -3.215 12.414 1.00 0.00 C ATOM 494 C ALA A 32 -3.405 -1.907 12.777 1.00 0.00 C ATOM 495 O ALA A 32 -3.908 -1.175 13.623 1.00 0.00 O ATOM 496 CB ALA A 32 -3.172 -4.422 12.502 1.00 0.00 C ATOM 0 H ALA A 32 -4.042 -3.501 10.363 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.891 -3.373 13.145 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.758 -4.490 13.508 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.734 -5.329 12.279 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.361 -4.311 11.782 1.00 0.00 H new ATOM 502 N THR A 33 -2.270 -1.600 12.147 1.00 0.00 N ATOM 503 CA THR A 33 -1.422 -0.483 12.552 1.00 0.00 C ATOM 504 C THR A 33 -2.090 0.873 12.300 1.00 0.00 C ATOM 505 O THR A 33 -1.792 1.826 13.025 1.00 0.00 O ATOM 506 CB THR A 33 -0.096 -0.542 11.785 1.00 0.00 C ATOM 507 OG1 THR A 33 0.543 -1.803 11.913 1.00 0.00 O ATOM 508 CG2 THR A 33 0.959 0.434 12.328 1.00 0.00 C ATOM 0 H THR A 33 -1.915 -2.119 11.344 1.00 0.00 H new ATOM 0 HA THR A 33 -1.249 -0.575 13.624 1.00 0.00 H new ATOM 0 HB THR A 33 -0.391 -0.309 10.762 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.004 -2.023 11.076 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.874 0.343 11.743 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.582 1.454 12.256 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.171 0.198 13.371 1.00 0.00 H new ATOM 516 N PHE A 34 -2.965 0.993 11.291 1.00 0.00 N ATOM 517 CA PHE A 34 -3.514 2.282 10.877 1.00 0.00 C ATOM 518 C PHE A 34 -5.051 2.252 10.941 1.00 0.00 C ATOM 519 O PHE A 34 -5.725 2.527 9.945 1.00 0.00 O ATOM 520 CB PHE A 34 -2.990 2.685 9.488 1.00 0.00 C ATOM 521 CG PHE A 34 -1.549 2.321 9.183 1.00 0.00 C ATOM 522 CD1 PHE A 34 -0.489 2.782 9.984 1.00 0.00 C ATOM 523 CD2 PHE A 34 -1.280 1.466 8.103 1.00 0.00 C ATOM 524 CE1 PHE A 34 0.823 2.345 9.716 1.00 0.00 C ATOM 525 CE2 PHE A 34 0.021 1.023 7.841 1.00 0.00 C ATOM 526 CZ PHE A 34 1.069 1.454 8.659 1.00 0.00 C ATOM 0 H PHE A 34 -3.307 0.202 10.745 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.175 3.051 11.571 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.627 2.222 8.734 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.101 3.764 9.380 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.679 3.466 10.798 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.090 1.145 7.464 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.642 2.696 10.325 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.213 0.355 7.015 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.073 1.100 8.477 1.00 0.00 H new ATOM 536 N PRO A 35 -5.646 1.974 12.108 1.00 0.00 N ATOM 537 CA PRO A 35 -7.026 1.509 12.229 1.00 0.00 C ATOM 538 C PRO A 35 -8.093 2.543 11.852 1.00 0.00 C ATOM 539 O PRO A 35 -9.228 2.159 11.562 1.00 0.00 O ATOM 540 CB PRO A 35 -7.161 1.101 13.697 1.00 0.00 C ATOM 541 CG PRO A 35 -6.163 2.020 14.396 1.00 0.00 C ATOM 542 CD PRO A 35 -5.017 2.068 13.413 1.00 0.00 C ATOM 0 HA PRO A 35 -7.205 0.697 11.524 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.176 1.250 14.067 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.918 0.049 13.849 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.582 3.009 14.579 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -5.852 1.622 15.362 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.448 2.993 13.513 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.320 1.246 13.577 1.00 0.00 H new ATOM 550 N ASN A 36 -7.763 3.839 11.822 1.00 0.00 N ATOM 551 CA ASN A 36 -8.669 4.893 11.412 1.00 0.00 C ATOM 552 C ASN A 36 -8.787 4.983 9.885 1.00 0.00 C ATOM 553 O ASN A 36 -9.622 5.741 9.385 1.00 0.00 O ATOM 554 CB ASN A 36 -8.159 6.212 12.008 1.00 0.00 C ATOM 555 CG ASN A 36 -8.625 6.461 13.436 1.00 0.00 C ATOM 556 OD1 ASN A 36 -9.250 5.610 14.064 1.00 0.00 O ATOM 557 ND2 ASN A 36 -8.317 7.619 13.986 1.00 0.00 N ATOM 0 H ASN A 36 -6.840 4.180 12.089 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.671 4.676 11.781 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.069 6.213 11.986 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -8.491 7.037 11.378 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.598 7.818 14.946 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.798 8.315 13.452 1.00 0.00 H new ATOM 564 N LEU A 37 -7.984 4.238 9.115 1.00 0.00 N ATOM 565 CA LEU A 37 -8.252 4.035 7.695 1.00 0.00 C ATOM 566 C LEU A 37 -9.347 2.983 7.552 1.00 0.00 C ATOM 567 O LEU A 37 -9.294 1.953 8.230 1.00 0.00 O ATOM 568 CB LEU A 37 -7.010 3.480 6.990 1.00 0.00 C ATOM 569 CG LEU A 37 -5.805 4.415 6.846 1.00 0.00 C ATOM 570 CD1 LEU A 37 -4.690 3.605 6.188 1.00 0.00 C ATOM 571 CD2 LEU A 37 -6.124 5.634 5.979 1.00 0.00 C ATOM 0 H LEU A 37 -7.145 3.768 9.456 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.541 4.990 7.256 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.684 2.592 7.531 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.306 3.155 5.992 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.517 4.789 7.829 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.808 4.233 6.065 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.442 2.750 6.817 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.024 3.253 5.212 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.241 6.269 5.905 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.419 5.305 4.983 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.940 6.199 6.431 1.00 0.00 H new ATOM 583 N GLU A 38 -10.261 3.163 6.606 1.00 0.00 N ATOM 584 CA GLU A 38 -11.290 2.193 6.242 1.00 0.00 C ATOM 585 C GLU A 38 -11.093 1.723 4.800 1.00 0.00 C ATOM 586 O GLU A 38 -10.552 2.478 3.987 1.00 0.00 O ATOM 587 CB GLU A 38 -12.656 2.867 6.388 1.00 0.00 C ATOM 588 CG GLU A 38 -13.032 2.981 7.868 1.00 0.00 C ATOM 589 CD GLU A 38 -13.565 1.678 8.473 1.00 0.00 C ATOM 590 OE1 GLU A 38 -14.431 1.029 7.837 1.00 0.00 O ATOM 591 OE2 GLU A 38 -13.124 1.339 9.595 1.00 0.00 O ATOM 0 H GLU A 38 -10.309 4.018 6.051 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.225 1.323 6.895 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.632 3.858 5.934 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.413 2.291 5.856 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.156 3.301 8.432 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.787 3.759 7.983 1.00 0.00 H new ATOM 598 N PRO A 39 -11.564 0.513 4.462 1.00 0.00 N ATOM 599 CA PRO A 39 -11.409 -0.072 3.136 1.00 0.00 C ATOM 600 C PRO A 39 -12.316 0.636 2.135 1.00 0.00 C ATOM 601 O PRO A 39 -13.478 0.896 2.459 1.00 0.00 O ATOM 602 CB PRO A 39 -11.865 -1.521 3.313 1.00 0.00 C ATOM 603 CG PRO A 39 -12.910 -1.446 4.426 1.00 0.00 C ATOM 604 CD PRO A 39 -12.319 -0.380 5.334 1.00 0.00 C ATOM 0 HA PRO A 39 -10.390 0.012 2.759 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.290 -1.921 2.392 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.034 -2.170 3.589 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.892 -1.162 4.047 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.030 -2.400 4.939 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.103 0.161 5.863 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.673 -0.825 6.091 1.00 0.00 H new ATOM 612 N GLN A 40 -11.842 0.912 0.912 1.00 0.00 N ATOM 613 CA GLN A 40 -12.676 1.465 -0.132 1.00 0.00 C ATOM 614 C GLN A 40 -11.939 1.317 -1.463 1.00 0.00 C ATOM 615 O GLN A 40 -11.233 2.229 -1.890 1.00 0.00 O ATOM 616 CB GLN A 40 -12.996 2.927 0.222 1.00 0.00 C ATOM 617 CG GLN A 40 -14.224 3.366 -0.562 1.00 0.00 C ATOM 618 CD GLN A 40 -14.765 4.674 -0.005 1.00 0.00 C ATOM 619 OE1 GLN A 40 -14.708 5.735 -0.625 1.00 0.00 O ATOM 620 NE2 GLN A 40 -15.262 4.651 1.221 1.00 0.00 N ATOM 0 H GLN A 40 -10.874 0.755 0.633 1.00 0.00 H new ATOM 0 HA GLN A 40 -13.626 0.939 -0.223 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.177 3.025 1.292 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.147 3.567 -0.017 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.967 3.489 -1.614 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.992 2.595 -0.509 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.310 3.772 1.736 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.598 5.513 1.652 1.00 0.00 H new ATOM 629 N MET A 41 -12.014 0.149 -2.101 1.00 0.00 N ATOM 630 CA MET A 41 -11.299 -0.070 -3.359 1.00 0.00 C ATOM 631 C MET A 41 -11.953 0.790 -4.454 1.00 0.00 C ATOM 632 O MET A 41 -13.176 0.939 -4.474 1.00 0.00 O ATOM 633 CB MET A 41 -11.226 -1.579 -3.641 1.00 0.00 C ATOM 634 CG MET A 41 -12.297 -2.176 -4.559 1.00 0.00 C ATOM 635 SD MET A 41 -11.924 -2.085 -6.338 1.00 0.00 S ATOM 636 CE MET A 41 -10.305 -2.899 -6.363 1.00 0.00 C ATOM 0 H MET A 41 -12.555 -0.651 -1.773 1.00 0.00 H new ATOM 0 HA MET A 41 -10.260 0.258 -3.316 1.00 0.00 H new ATOM 0 HB2 MET A 41 -10.250 -1.794 -4.077 1.00 0.00 H new ATOM 0 HB3 MET A 41 -11.270 -2.103 -2.686 1.00 0.00 H new ATOM 0 HG2 MET A 41 -12.445 -3.221 -4.287 1.00 0.00 H new ATOM 0 HG3 MET A 41 -13.240 -1.662 -4.374 1.00 0.00 H new ATOM 0 HE1 MET A 41 -10.194 -3.459 -7.291 1.00 0.00 H new ATOM 0 HE2 MET A 41 -9.519 -2.147 -6.297 1.00 0.00 H new ATOM 0 HE3 MET A 41 -10.227 -3.581 -5.516 1.00 0.00 H new ATOM 646 N LYS A 42 -11.153 1.384 -5.341 1.00 0.00 N ATOM 647 CA LYS A 42 -11.605 2.301 -6.390 1.00 0.00 C ATOM 648 C LYS A 42 -10.665 2.183 -7.564 1.00 0.00 C ATOM 649 O LYS A 42 -9.490 1.878 -7.364 1.00 0.00 O ATOM 650 CB LYS A 42 -11.578 3.758 -5.878 1.00 0.00 C ATOM 651 CG LYS A 42 -12.998 4.309 -5.740 1.00 0.00 C ATOM 652 CD LYS A 42 -13.003 5.814 -5.468 1.00 0.00 C ATOM 653 CE LYS A 42 -14.420 6.375 -5.600 1.00 0.00 C ATOM 654 NZ LYS A 42 -14.413 7.847 -5.536 1.00 0.00 N ATOM 0 H LYS A 42 -10.144 1.236 -5.350 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.624 2.044 -6.679 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.071 3.801 -4.914 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.006 4.380 -6.567 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.557 4.103 -6.653 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.511 3.792 -4.929 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.619 6.010 -4.467 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.338 6.319 -6.169 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.857 6.051 -6.544 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.049 5.976 -4.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.386 8.203 -5.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.017 8.153 -4.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.831 8.225 -6.311 1.00 0.00 H new ATOM 668 N TRP A 43 -11.147 2.474 -8.772 1.00 0.00 N ATOM 669 CA TRP A 43 -10.357 2.402 -9.998 1.00 0.00 C ATOM 670 C TRP A 43 -9.645 1.049 -10.153 1.00 0.00 C ATOM 671 O TRP A 43 -8.545 0.958 -10.690 1.00 0.00 O ATOM 672 CB TRP A 43 -9.400 3.595 -10.050 1.00 0.00 C ATOM 673 CG TRP A 43 -10.019 4.904 -10.420 1.00 0.00 C ATOM 674 CD1 TRP A 43 -11.027 5.546 -9.788 1.00 0.00 C ATOM 675 CD2 TRP A 43 -9.645 5.758 -11.534 1.00 0.00 C ATOM 676 NE1 TRP A 43 -11.276 6.746 -10.421 1.00 0.00 N ATOM 677 CE2 TRP A 43 -10.443 6.936 -11.499 1.00 0.00 C ATOM 678 CE3 TRP A 43 -8.698 5.642 -12.570 1.00 0.00 C ATOM 679 CZ2 TRP A 43 -10.284 7.968 -12.433 1.00 0.00 C ATOM 680 CZ3 TRP A 43 -8.541 6.664 -13.526 1.00 0.00 C ATOM 681 CH2 TRP A 43 -9.330 7.827 -13.454 1.00 0.00 C ATOM 0 H TRP A 43 -12.111 2.770 -8.927 1.00 0.00 H new ATOM 0 HA TRP A 43 -11.025 2.465 -10.857 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -8.926 3.701 -9.074 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.609 3.372 -10.766 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -11.555 5.177 -8.922 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -11.991 7.411 -10.126 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -8.083 4.756 -12.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -10.888 8.861 -12.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -7.813 6.555 -14.316 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -9.202 8.612 -14.185 1.00 0.00 H new ATOM 692 N ASN A 44 -10.253 -0.022 -9.644 1.00 0.00 N ATOM 693 CA ASN A 44 -9.707 -1.373 -9.558 1.00 0.00 C ATOM 694 C ASN A 44 -8.402 -1.465 -8.745 1.00 0.00 C ATOM 695 O ASN A 44 -7.668 -2.447 -8.848 1.00 0.00 O ATOM 696 CB ASN A 44 -9.553 -1.972 -10.966 1.00 0.00 C ATOM 697 CG ASN A 44 -10.014 -3.421 -11.061 1.00 0.00 C ATOM 698 OD1 ASN A 44 -10.869 -3.874 -10.303 1.00 0.00 O ATOM 699 ND2 ASN A 44 -9.544 -4.163 -12.047 1.00 0.00 N ATOM 0 H ASN A 44 -11.196 0.035 -9.258 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.426 -1.970 -8.998 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -10.123 -1.370 -11.673 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -8.507 -1.911 -11.266 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.890 -5.113 -12.180 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.835 -3.786 -12.675 1.00 0.00 H new ATOM 706 N THR A 45 -8.102 -0.465 -7.917 1.00 0.00 N ATOM 707 CA THR A 45 -6.936 -0.401 -7.050 1.00 0.00 C ATOM 708 C THR A 45 -7.447 -0.446 -5.601 1.00 0.00 C ATOM 709 O THR A 45 -8.368 0.297 -5.238 1.00 0.00 O ATOM 710 CB THR A 45 -6.094 0.859 -7.359 1.00 0.00 C ATOM 711 OG1 THR A 45 -6.783 2.083 -7.163 1.00 0.00 O ATOM 712 CG2 THR A 45 -5.583 0.884 -8.803 1.00 0.00 C ATOM 0 H THR A 45 -8.696 0.359 -7.832 1.00 0.00 H new ATOM 0 HA THR A 45 -6.265 -1.244 -7.217 1.00 0.00 H new ATOM 0 HB THR A 45 -5.273 0.783 -6.646 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.745 1.909 -7.092 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.998 1.789 -8.966 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.957 0.010 -8.983 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.430 0.870 -9.489 1.00 0.00 H new ATOM 720 N PRO A 46 -6.943 -1.355 -4.762 1.00 0.00 N ATOM 721 CA PRO A 46 -7.224 -1.348 -3.336 1.00 0.00 C ATOM 722 C PRO A 46 -6.587 -0.114 -2.682 1.00 0.00 C ATOM 723 O PRO A 46 -5.366 0.044 -2.648 1.00 0.00 O ATOM 724 CB PRO A 46 -6.691 -2.692 -2.846 1.00 0.00 C ATOM 725 CG PRO A 46 -5.559 -3.018 -3.811 1.00 0.00 C ATOM 726 CD PRO A 46 -6.091 -2.478 -5.123 1.00 0.00 C ATOM 0 HA PRO A 46 -8.279 -1.258 -3.078 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.333 -2.628 -1.819 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.465 -3.459 -2.866 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.625 -2.536 -3.521 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.363 -4.089 -3.861 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.278 -2.160 -5.776 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.653 -3.240 -5.662 1.00 0.00 H new ATOM 734 N MET A 47 -7.433 0.780 -2.168 1.00 0.00 N ATOM 735 CA MET A 47 -7.028 1.941 -1.391 1.00 0.00 C ATOM 736 C MET A 47 -7.856 2.004 -0.112 1.00 0.00 C ATOM 737 O MET A 47 -8.798 1.221 0.070 1.00 0.00 O ATOM 738 CB MET A 47 -7.117 3.238 -2.222 1.00 0.00 C ATOM 739 CG MET A 47 -8.545 3.622 -2.611 1.00 0.00 C ATOM 740 SD MET A 47 -8.800 5.388 -2.933 1.00 0.00 S ATOM 741 CE MET A 47 -9.096 5.977 -1.235 1.00 0.00 C ATOM 0 H MET A 47 -8.444 0.710 -2.286 1.00 0.00 H new ATOM 0 HA MET A 47 -5.979 1.841 -1.112 1.00 0.00 H new ATOM 0 HB2 MET A 47 -6.673 4.055 -1.653 1.00 0.00 H new ATOM 0 HB3 MET A 47 -6.522 3.120 -3.128 1.00 0.00 H new ATOM 0 HG2 MET A 47 -8.827 3.061 -3.502 1.00 0.00 H new ATOM 0 HG3 MET A 47 -9.219 3.312 -1.813 1.00 0.00 H new ATOM 0 HE1 MET A 47 -9.273 7.053 -1.249 1.00 0.00 H new ATOM 0 HE2 MET A 47 -9.968 5.471 -0.821 1.00 0.00 H new ATOM 0 HE3 MET A 47 -8.224 5.760 -0.618 1.00 0.00 H new ATOM 751 N PHE A 48 -7.499 2.945 0.757 1.00 0.00 N ATOM 752 CA PHE A 48 -8.107 3.103 2.064 1.00 0.00 C ATOM 753 C PHE A 48 -8.381 4.587 2.278 1.00 0.00 C ATOM 754 O PHE A 48 -7.493 5.414 2.056 1.00 0.00 O ATOM 755 CB PHE A 48 -7.179 2.565 3.162 1.00 0.00 C ATOM 756 CG PHE A 48 -6.397 1.304 2.845 1.00 0.00 C ATOM 757 CD1 PHE A 48 -5.130 1.388 2.231 1.00 0.00 C ATOM 758 CD2 PHE A 48 -6.903 0.049 3.224 1.00 0.00 C ATOM 759 CE1 PHE A 48 -4.355 0.232 2.031 1.00 0.00 C ATOM 760 CE2 PHE A 48 -6.139 -1.109 3.004 1.00 0.00 C ATOM 761 CZ PHE A 48 -4.862 -1.014 2.429 1.00 0.00 C ATOM 0 H PHE A 48 -6.766 3.628 0.565 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.037 2.537 2.114 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.467 3.350 3.419 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.780 2.376 4.051 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.752 2.348 1.912 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.878 -0.025 3.684 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.378 0.303 1.575 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.535 -2.076 3.278 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.267 -1.905 2.292 1.00 0.00 H new ATOM 771 N SER A 49 -9.581 4.940 2.721 1.00 0.00 N ATOM 772 CA SER A 49 -9.958 6.308 3.058 1.00 0.00 C ATOM 773 C SER A 49 -9.691 6.534 4.548 1.00 0.00 C ATOM 774 O SER A 49 -10.232 5.789 5.368 1.00 0.00 O ATOM 775 CB SER A 49 -11.453 6.491 2.752 1.00 0.00 C ATOM 776 OG SER A 49 -12.197 5.404 3.289 1.00 0.00 O ATOM 0 H SER A 49 -10.336 4.269 2.859 1.00 0.00 H new ATOM 0 HA SER A 49 -9.380 7.026 2.476 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.807 7.430 3.177 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.607 6.551 1.675 1.00 0.00 H new ATOM 0 HG SER A 49 -11.818 5.145 4.155 1.00 0.00 H new ATOM 782 N ASN A 50 -8.914 7.556 4.923 1.00 0.00 N ATOM 783 CA ASN A 50 -8.916 8.088 6.288 1.00 0.00 C ATOM 784 C ASN A 50 -10.200 8.887 6.445 1.00 0.00 C ATOM 785 O ASN A 50 -10.232 10.074 6.145 1.00 0.00 O ATOM 786 CB ASN A 50 -7.684 8.968 6.566 1.00 0.00 C ATOM 787 CG ASN A 50 -7.852 9.702 7.892 1.00 0.00 C ATOM 788 OD1 ASN A 50 -8.115 9.074 8.917 1.00 0.00 O ATOM 789 ND2 ASN A 50 -7.705 11.012 7.913 1.00 0.00 N ATOM 0 H ASN A 50 -8.270 8.034 4.293 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.868 7.272 7.009 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.786 8.351 6.594 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.551 9.687 5.758 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.809 11.523 8.790 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.487 11.515 7.053 1.00 0.00 H new ATOM 796 N GLN A 51 -11.301 8.236 6.805 1.00 0.00 N ATOM 797 CA GLN A 51 -12.628 8.819 6.979 1.00 0.00 C ATOM 798 C GLN A 51 -13.264 9.423 5.707 1.00 0.00 C ATOM 799 O GLN A 51 -14.486 9.547 5.665 1.00 0.00 O ATOM 800 CB GLN A 51 -12.638 9.708 8.240 1.00 0.00 C ATOM 801 CG GLN A 51 -12.071 8.912 9.438 1.00 0.00 C ATOM 802 CD GLN A 51 -12.375 9.498 10.811 1.00 0.00 C ATOM 803 OE1 GLN A 51 -11.511 10.061 11.482 1.00 0.00 O ATOM 804 NE2 GLN A 51 -13.576 9.254 11.290 1.00 0.00 N ATOM 0 H GLN A 51 -11.292 7.234 6.994 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.331 8.006 7.158 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -12.041 10.604 8.070 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.654 10.038 8.457 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.467 7.897 9.399 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -10.990 8.837 9.324 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -14.271 8.785 10.709 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.812 9.534 12.242 1.00 0.00 H new ATOM 813 N GLY A 52 -12.488 9.660 4.643 1.00 0.00 N ATOM 814 CA GLY A 52 -12.929 10.048 3.300 1.00 0.00 C ATOM 815 C GLY A 52 -11.795 10.259 2.274 1.00 0.00 C ATOM 816 O GLY A 52 -12.061 10.358 1.072 1.00 0.00 O ATOM 0 H GLY A 52 -11.473 9.581 4.701 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.604 9.281 2.920 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.505 10.970 3.376 1.00 0.00 H new ATOM 820 N THR A 53 -10.537 10.340 2.720 1.00 0.00 N ATOM 821 CA THR A 53 -9.407 10.876 1.948 1.00 0.00 C ATOM 822 C THR A 53 -8.784 9.844 0.984 1.00 0.00 C ATOM 823 O THR A 53 -9.394 8.818 0.670 1.00 0.00 O ATOM 824 CB THR A 53 -8.357 11.481 2.915 1.00 0.00 C ATOM 825 OG1 THR A 53 -8.792 11.507 4.251 1.00 0.00 O ATOM 826 CG2 THR A 53 -7.996 12.921 2.553 1.00 0.00 C ATOM 0 H THR A 53 -10.268 10.027 3.653 1.00 0.00 H new ATOM 0 HA THR A 53 -9.791 11.667 1.303 1.00 0.00 H new ATOM 0 HB THR A 53 -7.493 10.824 2.811 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.092 11.896 4.816 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.257 13.300 3.260 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.582 12.950 1.545 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.891 13.542 2.596 1.00 0.00 H new ATOM 834 N PHE A 54 -7.588 10.133 0.459 1.00 0.00 N ATOM 835 CA PHE A 54 -6.867 9.377 -0.563 1.00 0.00 C ATOM 836 C PHE A 54 -5.398 9.177 -0.126 1.00 0.00 C ATOM 837 O PHE A 54 -4.482 9.100 -0.946 1.00 0.00 O ATOM 838 CB PHE A 54 -6.997 10.156 -1.886 1.00 0.00 C ATOM 839 CG PHE A 54 -7.076 9.332 -3.159 1.00 0.00 C ATOM 840 CD1 PHE A 54 -6.196 8.258 -3.406 1.00 0.00 C ATOM 841 CD2 PHE A 54 -8.043 9.668 -4.125 1.00 0.00 C ATOM 842 CE1 PHE A 54 -6.305 7.516 -4.592 1.00 0.00 C ATOM 843 CE2 PHE A 54 -8.140 8.938 -5.319 1.00 0.00 C ATOM 844 CZ PHE A 54 -7.281 7.851 -5.542 1.00 0.00 C ATOM 0 H PHE A 54 -7.066 10.957 0.759 1.00 0.00 H new ATOM 0 HA PHE A 54 -7.283 8.379 -0.701 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.890 10.778 -1.828 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.144 10.829 -1.969 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -5.436 8.006 -2.681 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -8.715 10.494 -3.946 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.637 6.687 -4.773 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.873 9.211 -6.064 1.00 0.00 H new ATOM 0 HZ PHE A 54 -7.372 7.270 -6.448 1.00 0.00 H new ATOM 854 N ILE A 55 -5.160 9.123 1.187 1.00 0.00 N ATOM 855 CA ILE A 55 -3.831 9.173 1.790 1.00 0.00 C ATOM 856 C ILE A 55 -3.004 7.921 1.470 1.00 0.00 C ATOM 857 O ILE A 55 -1.786 7.964 1.612 1.00 0.00 O ATOM 858 CB ILE A 55 -3.960 9.467 3.309 1.00 0.00 C ATOM 859 CG1 ILE A 55 -4.434 10.924 3.491 1.00 0.00 C ATOM 860 CG2 ILE A 55 -2.685 9.179 4.113 1.00 0.00 C ATOM 861 CD1 ILE A 55 -4.617 11.392 4.936 1.00 0.00 C ATOM 0 H ILE A 55 -5.908 9.041 1.876 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.267 9.994 1.347 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.698 8.777 3.718 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.715 11.583 3.004 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.382 11.045 2.967 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.858 9.410 5.164 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.421 8.126 4.011 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.870 9.796 3.735 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.952 12.429 4.943 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.362 10.767 5.429 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.668 11.313 5.467 1.00 0.00 H new ATOM 873 N ILE A 56 -3.610 6.797 1.073 1.00 0.00 N ATOM 874 CA ILE A 56 -2.868 5.600 0.738 1.00 0.00 C ATOM 875 C ILE A 56 -3.675 4.729 -0.229 1.00 0.00 C ATOM 876 O ILE A 56 -4.863 4.484 -0.007 1.00 0.00 O ATOM 877 CB ILE A 56 -2.483 4.885 2.049 1.00 0.00 C ATOM 878 CG1 ILE A 56 -1.814 3.543 1.718 1.00 0.00 C ATOM 879 CG2 ILE A 56 -3.679 4.771 3.024 1.00 0.00 C ATOM 880 CD1 ILE A 56 -1.034 2.993 2.903 1.00 0.00 C ATOM 0 H ILE A 56 -4.621 6.702 0.979 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.944 5.840 0.212 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.753 5.487 2.591 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.574 2.822 1.417 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.143 3.671 0.869 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.360 4.261 3.933 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.040 5.768 3.275 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.481 4.204 2.552 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.576 2.043 2.628 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.256 3.702 3.187 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.710 2.840 3.744 1.00 0.00 H new ATOM 892 N GLY A 57 -3.008 4.194 -1.257 1.00 0.00 N ATOM 893 CA GLY A 57 -3.530 3.124 -2.095 1.00 0.00 C ATOM 894 C GLY A 57 -2.389 2.339 -2.726 1.00 0.00 C ATOM 895 O GLY A 57 -1.264 2.834 -2.852 1.00 0.00 O ATOM 0 H GLY A 57 -2.075 4.502 -1.530 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.152 2.457 -1.498 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.167 3.542 -2.875 1.00 0.00 H new ATOM 899 N PHE A 58 -2.642 1.097 -3.119 1.00 0.00 N ATOM 900 CA PHE A 58 -1.688 0.296 -3.870 1.00 0.00 C ATOM 901 C PHE A 58 -2.426 -0.466 -4.958 1.00 0.00 C ATOM 902 O PHE A 58 -3.655 -0.491 -5.003 1.00 0.00 O ATOM 903 CB PHE A 58 -0.838 -0.593 -2.941 1.00 0.00 C ATOM 904 CG PHE A 58 -1.562 -1.382 -1.862 1.00 0.00 C ATOM 905 CD1 PHE A 58 -2.338 -2.509 -2.191 1.00 0.00 C ATOM 906 CD2 PHE A 58 -1.413 -1.017 -0.511 1.00 0.00 C ATOM 907 CE1 PHE A 58 -2.971 -3.256 -1.181 1.00 0.00 C ATOM 908 CE2 PHE A 58 -2.032 -1.776 0.498 1.00 0.00 C ATOM 909 CZ PHE A 58 -2.810 -2.900 0.167 1.00 0.00 C ATOM 0 H PHE A 58 -3.520 0.616 -2.924 1.00 0.00 H new ATOM 0 HA PHE A 58 -0.964 0.943 -4.365 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.290 -1.300 -3.563 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.099 0.042 -2.453 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.448 -2.802 -3.225 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.822 -0.152 -0.249 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.583 -4.106 -1.444 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.909 -1.494 1.533 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.280 -3.485 0.944 1.00 0.00 H new ATOM 919 N SER A 59 -1.678 -1.064 -5.874 1.00 0.00 N ATOM 920 CA SER A 59 -2.252 -1.782 -6.991 1.00 0.00 C ATOM 921 C SER A 59 -1.278 -2.896 -7.369 1.00 0.00 C ATOM 922 O SER A 59 -0.060 -2.750 -7.197 1.00 0.00 O ATOM 923 CB SER A 59 -2.561 -0.755 -8.088 1.00 0.00 C ATOM 924 OG SER A 59 -1.377 -0.237 -8.667 1.00 0.00 O ATOM 0 H SER A 59 -0.658 -1.062 -5.859 1.00 0.00 H new ATOM 0 HA SER A 59 -3.198 -2.278 -6.775 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.171 -1.221 -8.862 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.148 0.061 -7.668 1.00 0.00 H new ATOM 0 HG SER A 59 -1.610 0.413 -9.363 1.00 0.00 H new ATOM 930 N THR A 60 -1.799 -4.049 -7.781 1.00 0.00 N ATOM 931 CA THR A 60 -0.975 -5.224 -8.028 1.00 0.00 C ATOM 932 C THR A 60 -0.543 -5.234 -9.492 1.00 0.00 C ATOM 933 O THR A 60 -1.227 -4.685 -10.360 1.00 0.00 O ATOM 934 CB THR A 60 -1.726 -6.503 -7.619 1.00 0.00 C ATOM 935 OG1 THR A 60 -2.942 -6.618 -8.316 1.00 0.00 O ATOM 936 CG2 THR A 60 -2.050 -6.545 -6.123 1.00 0.00 C ATOM 0 H THR A 60 -2.794 -4.193 -7.951 1.00 0.00 H new ATOM 0 HA THR A 60 -0.074 -5.188 -7.416 1.00 0.00 H new ATOM 0 HB THR A 60 -1.055 -7.326 -7.865 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.401 -7.439 -8.040 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.580 -7.469 -5.891 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.124 -6.504 -5.549 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.677 -5.692 -5.862 1.00 0.00 H new ATOM 944 N SER A 61 0.571 -5.899 -9.767 1.00 0.00 N ATOM 945 CA SER A 61 1.118 -6.095 -11.093 1.00 0.00 C ATOM 946 C SER A 61 1.545 -7.558 -11.230 1.00 0.00 C ATOM 947 O SER A 61 1.431 -8.342 -10.277 1.00 0.00 O ATOM 948 CB SER A 61 2.265 -5.096 -11.257 1.00 0.00 C ATOM 949 OG SER A 61 2.795 -5.116 -12.557 1.00 0.00 O ATOM 0 H SER A 61 1.138 -6.333 -9.038 1.00 0.00 H new ATOM 0 HA SER A 61 0.397 -5.909 -11.889 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.908 -4.092 -11.026 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.053 -5.327 -10.540 1.00 0.00 H new ATOM 0 HG SER A 61 3.524 -4.464 -12.623 1.00 0.00 H new ATOM 955 N LYS A 62 2.039 -7.934 -12.414 1.00 0.00 N ATOM 956 CA LYS A 62 2.458 -9.295 -12.757 1.00 0.00 C ATOM 957 C LYS A 62 3.382 -9.839 -11.662 1.00 0.00 C ATOM 958 O LYS A 62 2.997 -10.754 -10.934 1.00 0.00 O ATOM 959 CB LYS A 62 3.125 -9.323 -14.152 1.00 0.00 C ATOM 960 CG LYS A 62 2.180 -9.059 -15.341 1.00 0.00 C ATOM 961 CD LYS A 62 1.556 -10.340 -15.921 1.00 0.00 C ATOM 962 CE LYS A 62 2.536 -11.077 -16.851 1.00 0.00 C ATOM 963 NZ LYS A 62 2.480 -10.608 -18.258 1.00 0.00 N ATOM 0 H LYS A 62 2.162 -7.277 -13.185 1.00 0.00 H new ATOM 0 HA LYS A 62 1.584 -9.944 -12.811 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.921 -8.579 -14.170 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.595 -10.297 -14.292 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.383 -8.388 -15.020 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.732 -8.544 -16.127 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.259 -11.001 -15.107 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.651 -10.087 -16.473 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.550 -10.948 -16.473 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.319 -12.145 -16.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.163 -11.144 -18.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.522 -10.755 -18.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.715 -9.596 -18.296 1.00 0.00 H new ATOM 977 N HIS A 63 4.569 -9.242 -11.500 1.00 0.00 N ATOM 978 CA HIS A 63 5.616 -9.758 -10.613 1.00 0.00 C ATOM 979 C HIS A 63 5.943 -8.813 -9.450 1.00 0.00 C ATOM 980 O HIS A 63 6.965 -9.000 -8.788 1.00 0.00 O ATOM 981 CB HIS A 63 6.859 -10.181 -11.412 1.00 0.00 C ATOM 982 CG HIS A 63 6.555 -11.317 -12.352 1.00 0.00 C ATOM 983 ND1 HIS A 63 6.652 -12.669 -12.091 1.00 0.00 N ATOM 984 CD2 HIS A 63 6.037 -11.176 -13.604 1.00 0.00 C ATOM 985 CE1 HIS A 63 6.181 -13.323 -13.166 1.00 0.00 C ATOM 986 NE2 HIS A 63 5.792 -12.452 -14.115 1.00 0.00 N ATOM 0 H HIS A 63 4.830 -8.383 -11.984 1.00 0.00 H new ATOM 0 HA HIS A 63 5.218 -10.655 -10.138 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.234 -9.329 -11.979 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.650 -10.479 -10.724 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.849 -10.242 -14.112 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.123 -14.398 -13.256 1.00 0.00 H new ATOM 0 HE2 HIS A 63 5.396 -12.679 -15.027 1.00 0.00 H new ATOM 994 N HIS A 64 5.116 -7.797 -9.192 1.00 0.00 N ATOM 995 CA HIS A 64 5.312 -6.881 -8.077 1.00 0.00 C ATOM 996 C HIS A 64 3.989 -6.263 -7.617 1.00 0.00 C ATOM 997 O HIS A 64 2.984 -6.335 -8.326 1.00 0.00 O ATOM 998 CB HIS A 64 6.335 -5.794 -8.465 1.00 0.00 C ATOM 999 CG HIS A 64 6.304 -5.276 -9.884 1.00 0.00 C ATOM 1000 ND1 HIS A 64 7.108 -5.741 -10.902 1.00 0.00 N ATOM 1001 CD2 HIS A 64 5.644 -4.166 -10.342 1.00 0.00 C ATOM 1002 CE1 HIS A 64 6.922 -4.945 -11.965 1.00 0.00 C ATOM 1003 NE2 HIS A 64 6.050 -3.965 -11.671 1.00 0.00 N ATOM 0 H HIS A 64 4.291 -7.590 -9.755 1.00 0.00 H new ATOM 0 HA HIS A 64 5.707 -7.446 -7.233 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.194 -4.946 -7.795 1.00 0.00 H new ATOM 0 HB3 HIS A 64 7.333 -6.189 -8.274 1.00 0.00 H new ATOM 0 HD2 HIS A 64 4.944 -3.560 -9.786 1.00 0.00 H new ATOM 0 HE1 HIS A 64 7.405 -5.073 -12.923 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.742 -3.218 -12.294 1.00 0.00 H new ATOM 1011 N LEU A 65 4.003 -5.634 -6.441 1.00 0.00 N ATOM 1012 CA LEU A 65 2.988 -4.681 -5.987 1.00 0.00 C ATOM 1013 C LEU A 65 3.534 -3.283 -6.263 1.00 0.00 C ATOM 1014 O LEU A 65 4.756 -3.119 -6.297 1.00 0.00 O ATOM 1015 CB LEU A 65 2.785 -4.871 -4.471 1.00 0.00 C ATOM 1016 CG LEU A 65 1.669 -4.032 -3.820 1.00 0.00 C ATOM 1017 CD1 LEU A 65 0.276 -4.472 -4.266 1.00 0.00 C ATOM 1018 CD2 LEU A 65 1.746 -4.209 -2.308 1.00 0.00 C ATOM 0 H LEU A 65 4.745 -5.778 -5.756 1.00 0.00 H new ATOM 0 HA LEU A 65 2.036 -4.828 -6.497 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.575 -5.924 -4.284 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.724 -4.639 -3.969 1.00 0.00 H new ATOM 0 HG LEU A 65 1.819 -2.996 -4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.475 -3.850 -3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.190 -4.366 -5.347 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.118 -5.515 -3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.961 -3.621 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.613 -5.261 -2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.719 -3.872 -1.951 1.00 0.00 H new ATOM 1030 N SER A 66 2.686 -2.262 -6.356 1.00 0.00 N ATOM 1031 CA SER A 66 3.107 -0.876 -6.509 1.00 0.00 C ATOM 1032 C SER A 66 2.449 -0.006 -5.421 1.00 0.00 C ATOM 1033 O SER A 66 1.222 0.010 -5.303 1.00 0.00 O ATOM 1034 CB SER A 66 2.798 -0.431 -7.941 1.00 0.00 C ATOM 1035 OG SER A 66 3.150 -1.396 -8.921 1.00 0.00 O ATOM 0 H SER A 66 1.673 -2.378 -6.327 1.00 0.00 H new ATOM 0 HA SER A 66 4.181 -0.763 -6.364 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.733 -0.212 -8.024 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.331 0.497 -8.148 1.00 0.00 H new ATOM 0 HG SER A 66 2.927 -1.054 -9.812 1.00 0.00 H new ATOM 1041 N VAL A 67 3.253 0.662 -4.583 1.00 0.00 N ATOM 1042 CA VAL A 67 2.872 1.229 -3.284 1.00 0.00 C ATOM 1043 C VAL A 67 3.334 2.694 -3.216 1.00 0.00 C ATOM 1044 O VAL A 67 4.423 3.018 -3.688 1.00 0.00 O ATOM 1045 CB VAL A 67 3.523 0.378 -2.162 1.00 0.00 C ATOM 1046 CG1 VAL A 67 3.166 0.851 -0.749 1.00 0.00 C ATOM 1047 CG2 VAL A 67 3.088 -1.093 -2.232 1.00 0.00 C ATOM 0 H VAL A 67 4.235 0.829 -4.804 1.00 0.00 H new ATOM 0 HA VAL A 67 1.790 1.209 -3.154 1.00 0.00 H new ATOM 0 HB VAL A 67 4.593 0.493 -2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.656 0.210 -0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.502 1.879 -0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.086 0.801 -0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.567 -1.653 -1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.005 -1.158 -2.124 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.383 -1.514 -3.193 1.00 0.00 H new ATOM 1057 N SER A 68 2.522 3.574 -2.631 1.00 0.00 N ATOM 1058 CA SER A 68 2.824 4.952 -2.250 1.00 0.00 C ATOM 1059 C SER A 68 1.666 5.401 -1.340 1.00 0.00 C ATOM 1060 O SER A 68 0.579 4.813 -1.432 1.00 0.00 O ATOM 1061 CB SER A 68 2.920 5.829 -3.515 1.00 0.00 C ATOM 1062 OG SER A 68 3.283 7.167 -3.225 1.00 0.00 O ATOM 0 H SER A 68 1.563 3.322 -2.393 1.00 0.00 H new ATOM 0 HA SER A 68 3.777 5.040 -1.729 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.653 5.397 -4.197 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.960 5.821 -4.032 1.00 0.00 H new ATOM 0 HG SER A 68 2.636 7.778 -3.636 1.00 0.00 H new ATOM 1068 N PRO A 69 1.833 6.406 -0.465 1.00 0.00 N ATOM 1069 CA PRO A 69 0.687 7.020 0.177 1.00 0.00 C ATOM 1070 C PRO A 69 -0.053 7.889 -0.849 1.00 0.00 C ATOM 1071 O PRO A 69 -1.177 7.582 -1.247 1.00 0.00 O ATOM 1072 CB PRO A 69 1.278 7.843 1.333 1.00 0.00 C ATOM 1073 CG PRO A 69 2.727 8.114 0.923 1.00 0.00 C ATOM 1074 CD PRO A 69 3.082 6.879 0.097 1.00 0.00 C ATOM 0 HA PRO A 69 -0.043 6.305 0.556 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.728 8.773 1.478 1.00 0.00 H new ATOM 0 HB3 PRO A 69 1.230 7.294 2.274 1.00 0.00 H new ATOM 0 HG2 PRO A 69 2.818 9.030 0.340 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.379 8.222 1.790 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.795 7.126 -0.689 1.00 0.00 H new ATOM 0 HD3 PRO A 69 3.546 6.113 0.719 1.00 0.00 H new ATOM 1082 N GLU A 70 0.647 8.856 -1.435 1.00 0.00 N ATOM 1083 CA GLU A 70 0.147 9.773 -2.436 1.00 0.00 C ATOM 1084 C GLU A 70 1.337 10.019 -3.366 1.00 0.00 C ATOM 1085 O GLU A 70 1.578 9.228 -4.286 1.00 0.00 O ATOM 1086 CB GLU A 70 -0.357 11.058 -1.740 1.00 0.00 C ATOM 1087 CG GLU A 70 -1.609 10.932 -0.847 1.00 0.00 C ATOM 1088 CD GLU A 70 -1.937 12.239 -0.108 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -1.181 13.228 -0.226 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -2.928 12.286 0.659 1.00 0.00 O ATOM 0 H GLU A 70 1.627 9.024 -1.208 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.701 9.392 -3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.455 11.452 -1.129 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.565 11.800 -2.511 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.462 10.641 -1.461 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.454 10.136 -0.119 1.00 0.00 H new ATOM 1097 N GLU A 71 2.186 10.986 -3.014 1.00 0.00 N ATOM 1098 CA GLU A 71 3.359 11.393 -3.784 1.00 0.00 C ATOM 1099 C GLU A 71 4.570 11.684 -2.896 1.00 0.00 C ATOM 1100 O GLU A 71 5.698 11.461 -3.329 1.00 0.00 O ATOM 1101 CB GLU A 71 3.039 12.613 -4.660 1.00 0.00 C ATOM 1102 CG GLU A 71 2.435 13.764 -3.843 1.00 0.00 C ATOM 1103 CD GLU A 71 2.478 15.118 -4.546 1.00 0.00 C ATOM 1104 OE1 GLU A 71 3.498 15.416 -5.212 1.00 0.00 O ATOM 1105 OE2 GLU A 71 1.553 15.929 -4.328 1.00 0.00 O ATOM 0 H GLU A 71 2.071 11.525 -2.156 1.00 0.00 H new ATOM 0 HA GLU A 71 3.621 10.551 -4.425 1.00 0.00 H new ATOM 0 HB2 GLU A 71 3.950 12.956 -5.151 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.343 12.322 -5.447 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.399 13.522 -3.606 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.968 13.842 -2.896 1.00 0.00 H new ATOM 1112 N ILE A 72 4.373 12.134 -1.648 1.00 0.00 N ATOM 1113 CA ILE A 72 5.472 12.583 -0.792 1.00 0.00 C ATOM 1114 C ILE A 72 6.460 11.447 -0.507 1.00 0.00 C ATOM 1115 O ILE A 72 7.666 11.675 -0.369 1.00 0.00 O ATOM 1116 CB ILE A 72 4.897 13.234 0.483 1.00 0.00 C ATOM 1117 CG1 ILE A 72 5.997 14.041 1.200 1.00 0.00 C ATOM 1118 CG2 ILE A 72 4.233 12.213 1.420 1.00 0.00 C ATOM 1119 CD1 ILE A 72 5.504 14.859 2.394 1.00 0.00 C ATOM 0 H ILE A 72 3.454 12.195 -1.210 1.00 0.00 H new ATOM 0 HA ILE A 72 6.054 13.344 -1.312 1.00 0.00 H new ATOM 0 HB ILE A 72 4.103 13.917 0.181 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.771 13.354 1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.463 14.715 0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.846 12.725 2.301 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.413 11.719 0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.968 11.469 1.727 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.342 15.395 2.839 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.752 15.574 2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.065 14.192 3.136 1.00 0.00 H new ATOM 1131 N GLY A 73 5.944 10.212 -0.507 1.00 0.00 N ATOM 1132 CA GLY A 73 6.680 8.958 -0.442 1.00 0.00 C ATOM 1133 C GLY A 73 7.787 8.852 -1.497 1.00 0.00 C ATOM 1134 O GLY A 73 8.753 8.121 -1.293 1.00 0.00 O ATOM 0 H GLY A 73 4.937 10.060 -0.556 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.121 8.854 0.549 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.984 8.129 -0.570 1.00 0.00 H new ATOM 1138 N ILE A 74 7.657 9.580 -2.607 1.00 0.00 N ATOM 1139 CA ILE A 74 8.532 9.567 -3.776 1.00 0.00 C ATOM 1140 C ILE A 74 9.362 10.859 -3.831 1.00 0.00 C ATOM 1141 O ILE A 74 10.277 10.975 -4.649 1.00 0.00 O ATOM 1142 CB ILE A 74 7.676 9.354 -5.048 1.00 0.00 C ATOM 1143 CG1 ILE A 74 6.619 8.238 -4.869 1.00 0.00 C ATOM 1144 CG2 ILE A 74 8.532 9.030 -6.284 1.00 0.00 C ATOM 1145 CD1 ILE A 74 7.208 6.876 -4.477 1.00 0.00 C ATOM 0 H ILE A 74 6.885 10.238 -2.719 1.00 0.00 H new ATOM 0 HA ILE A 74 9.241 8.742 -3.710 1.00 0.00 H new ATOM 0 HB ILE A 74 7.166 10.304 -5.208 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.905 8.547 -4.105 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.062 8.127 -5.799 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.884 8.890 -7.149 1.00 0.00 H new ATOM 0 HG22 ILE A 74 9.220 9.853 -6.476 1.00 0.00 H new ATOM 0 HG23 ILE A 74 9.100 8.117 -6.104 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.403 6.148 -4.371 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.899 6.542 -5.251 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.740 6.969 -3.530 1.00 0.00 H new ATOM 1157 N SER A 75 9.078 11.817 -2.946 1.00 0.00 N ATOM 1158 CA SER A 75 9.847 13.029 -2.797 1.00 0.00 C ATOM 1159 C SER A 75 10.913 12.800 -1.723 1.00 0.00 C ATOM 1160 O SER A 75 12.037 12.411 -2.045 1.00 0.00 O ATOM 1161 CB SER A 75 8.879 14.185 -2.500 1.00 0.00 C ATOM 1162 OG SER A 75 9.546 15.423 -2.599 1.00 0.00 O ATOM 0 H SER A 75 8.287 11.759 -2.304 1.00 0.00 H new ATOM 0 HA SER A 75 10.383 13.302 -3.706 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.044 14.158 -3.200 1.00 0.00 H new ATOM 0 HB3 SER A 75 8.460 14.069 -1.500 1.00 0.00 H new ATOM 0 HG SER A 75 8.917 16.150 -2.409 1.00 0.00 H new ATOM 1168 N GLN A 76 10.570 12.993 -0.447 1.00 0.00 N ATOM 1169 CA GLN A 76 11.525 13.028 0.648 1.00 0.00 C ATOM 1170 C GLN A 76 11.812 11.601 1.088 1.00 0.00 C ATOM 1171 O GLN A 76 12.973 11.223 1.240 1.00 0.00 O ATOM 1172 CB GLN A 76 11.012 13.919 1.800 1.00 0.00 C ATOM 1173 CG GLN A 76 9.544 13.673 2.190 1.00 0.00 C ATOM 1174 CD GLN A 76 9.127 14.413 3.454 1.00 0.00 C ATOM 1175 OE1 GLN A 76 8.897 15.616 3.432 1.00 0.00 O ATOM 1176 NE2 GLN A 76 9.009 13.723 4.576 1.00 0.00 N ATOM 0 H GLN A 76 9.605 13.131 -0.148 1.00 0.00 H new ATOM 0 HA GLN A 76 12.461 13.479 0.318 1.00 0.00 H new ATOM 0 HB2 GLN A 76 11.640 13.756 2.676 1.00 0.00 H new ATOM 0 HB3 GLN A 76 11.129 14.964 1.514 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.900 13.981 1.367 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.387 12.604 2.334 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.203 12.722 4.582 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.724 14.192 5.436 1.00 0.00 H new ATOM 1185 N PHE A 77 10.767 10.780 1.246 1.00 0.00 N ATOM 1186 CA PHE A 77 10.963 9.435 1.757 1.00 0.00 C ATOM 1187 C PHE A 77 11.726 8.575 0.759 1.00 0.00 C ATOM 1188 O PHE A 77 12.372 7.614 1.173 1.00 0.00 O ATOM 1189 CB PHE A 77 9.652 8.752 2.141 1.00 0.00 C ATOM 1190 CG PHE A 77 8.844 9.438 3.225 1.00 0.00 C ATOM 1191 CD1 PHE A 77 7.879 10.403 2.887 1.00 0.00 C ATOM 1192 CD2 PHE A 77 9.027 9.079 4.574 1.00 0.00 C ATOM 1193 CE1 PHE A 77 7.114 11.015 3.890 1.00 0.00 C ATOM 1194 CE2 PHE A 77 8.250 9.675 5.583 1.00 0.00 C ATOM 1195 CZ PHE A 77 7.295 10.653 5.232 1.00 0.00 C ATOM 0 H PHE A 77 9.800 11.024 1.030 1.00 0.00 H new ATOM 0 HA PHE A 77 11.555 9.538 2.666 1.00 0.00 H new ATOM 0 HB2 PHE A 77 9.032 8.670 1.248 1.00 0.00 H new ATOM 0 HB3 PHE A 77 9.875 7.737 2.468 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.727 10.673 1.853 1.00 0.00 H new ATOM 0 HD2 PHE A 77 9.770 8.340 4.836 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.384 11.767 3.628 1.00 0.00 H new ATOM 0 HE2 PHE A 77 8.383 9.387 6.616 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.701 11.125 6.001 1.00 0.00 H new ATOM 1205 N ALA A 78 11.710 8.931 -0.531 1.00 0.00 N ATOM 1206 CA ALA A 78 12.372 8.178 -1.577 1.00 0.00 C ATOM 1207 C ALA A 78 13.847 7.955 -1.279 1.00 0.00 C ATOM 1208 O ALA A 78 14.364 6.902 -1.642 1.00 0.00 O ATOM 1209 CB ALA A 78 12.226 8.912 -2.899 1.00 0.00 C ATOM 0 H ALA A 78 11.228 9.763 -0.871 1.00 0.00 H new ATOM 0 HA ALA A 78 11.896 7.199 -1.631 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.724 8.346 -3.686 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.169 9.018 -3.141 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.681 9.899 -2.819 1.00 0.00 H new ATOM 1215 N ASP A 79 14.503 8.892 -0.596 1.00 0.00 N ATOM 1216 CA ASP A 79 15.904 8.774 -0.214 1.00 0.00 C ATOM 1217 C ASP A 79 16.074 7.658 0.816 1.00 0.00 C ATOM 1218 O ASP A 79 16.953 6.804 0.692 1.00 0.00 O ATOM 1219 CB ASP A 79 16.382 10.118 0.345 1.00 0.00 C ATOM 1220 CG ASP A 79 17.844 10.100 0.787 1.00 0.00 C ATOM 1221 OD1 ASP A 79 18.647 9.302 0.262 1.00 0.00 O ATOM 1222 OD2 ASP A 79 18.192 10.918 1.666 1.00 0.00 O ATOM 0 H ASP A 79 14.069 9.763 -0.290 1.00 0.00 H new ATOM 0 HA ASP A 79 16.508 8.518 -1.085 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.248 10.888 -0.414 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.756 10.395 1.193 1.00 0.00 H new ATOM 1227 N ALA A 80 15.204 7.605 1.826 1.00 0.00 N ATOM 1228 CA ALA A 80 15.215 6.537 2.816 1.00 0.00 C ATOM 1229 C ALA A 80 14.911 5.183 2.161 1.00 0.00 C ATOM 1230 O ALA A 80 15.535 4.180 2.516 1.00 0.00 O ATOM 1231 CB ALA A 80 14.243 6.880 3.951 1.00 0.00 C ATOM 0 H ALA A 80 14.475 8.302 1.977 1.00 0.00 H new ATOM 0 HA ALA A 80 16.211 6.448 3.250 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.252 6.080 4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 80 14.549 7.814 4.422 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.236 6.990 3.547 1.00 0.00 H new ATOM 1237 N ILE A 81 14.000 5.134 1.181 1.00 0.00 N ATOM 1238 CA ILE A 81 13.749 3.908 0.424 1.00 0.00 C ATOM 1239 C ILE A 81 14.990 3.553 -0.417 1.00 0.00 C ATOM 1240 O ILE A 81 15.376 2.387 -0.473 1.00 0.00 O ATOM 1241 CB ILE A 81 12.495 4.002 -0.481 1.00 0.00 C ATOM 1242 CG1 ILE A 81 11.229 4.591 0.173 1.00 0.00 C ATOM 1243 CG2 ILE A 81 12.131 2.582 -0.939 1.00 0.00 C ATOM 1244 CD1 ILE A 81 10.125 4.909 -0.844 1.00 0.00 C ATOM 0 H ILE A 81 13.427 5.929 0.897 1.00 0.00 H new ATOM 0 HA ILE A 81 13.551 3.118 1.148 1.00 0.00 H new ATOM 0 HB ILE A 81 12.776 4.684 -1.284 1.00 0.00 H new ATOM 0 HG12 ILE A 81 10.845 3.886 0.910 1.00 0.00 H new ATOM 0 HG13 ILE A 81 11.494 5.501 0.711 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.249 2.621 -1.579 1.00 0.00 H new ATOM 0 HG22 ILE A 81 12.965 2.154 -1.496 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.920 1.962 -0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.260 5.321 -0.325 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.495 5.637 -1.567 1.00 0.00 H new ATOM 0 HD13 ILE A 81 9.836 3.996 -1.364 1.00 0.00 H new ATOM 1256 N ALA A 82 15.624 4.530 -1.072 1.00 0.00 N ATOM 1257 CA ALA A 82 16.758 4.328 -1.968 1.00 0.00 C ATOM 1258 C ALA A 82 17.908 3.681 -1.209 1.00 0.00 C ATOM 1259 O ALA A 82 18.487 2.706 -1.681 1.00 0.00 O ATOM 1260 CB ALA A 82 17.213 5.669 -2.548 1.00 0.00 C ATOM 0 H ALA A 82 15.352 5.510 -0.989 1.00 0.00 H new ATOM 0 HA ALA A 82 16.452 3.673 -2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.060 5.508 -3.215 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.393 6.122 -3.105 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.511 6.334 -1.737 1.00 0.00 H new ATOM 1266 N GLN A 83 18.202 4.205 -0.022 1.00 0.00 N ATOM 1267 CA GLN A 83 19.216 3.688 0.882 1.00 0.00 C ATOM 1268 C GLN A 83 18.857 2.289 1.398 1.00 0.00 C ATOM 1269 O GLN A 83 19.763 1.554 1.796 1.00 0.00 O ATOM 1270 CB GLN A 83 19.355 4.665 2.049 1.00 0.00 C ATOM 1271 CG GLN A 83 19.996 6.000 1.615 1.00 0.00 C ATOM 1272 CD GLN A 83 19.916 7.093 2.679 1.00 0.00 C ATOM 1273 OE1 GLN A 83 20.886 7.385 3.370 1.00 0.00 O ATOM 1274 NE2 GLN A 83 18.766 7.729 2.825 1.00 0.00 N ATOM 0 H GLN A 83 17.724 5.027 0.345 1.00 0.00 H new ATOM 0 HA GLN A 83 20.160 3.595 0.345 1.00 0.00 H new ATOM 0 HB2 GLN A 83 18.372 4.858 2.479 1.00 0.00 H new ATOM 0 HB3 GLN A 83 19.961 4.210 2.832 1.00 0.00 H new ATOM 0 HG2 GLN A 83 21.042 5.826 1.363 1.00 0.00 H new ATOM 0 HG3 GLN A 83 19.504 6.351 0.708 1.00 0.00 H new ATOM 0 HE21 GLN A 83 17.966 7.477 2.244 1.00 0.00 H new ATOM 0 HE22 GLN A 83 18.678 8.472 3.519 1.00 0.00 H new ATOM 1283 N ALA A 84 17.570 1.909 1.428 1.00 0.00 N ATOM 1284 CA ALA A 84 17.162 0.543 1.747 1.00 0.00 C ATOM 1285 C ALA A 84 17.331 -0.381 0.525 1.00 0.00 C ATOM 1286 O ALA A 84 17.581 -1.579 0.658 1.00 0.00 O ATOM 1287 CB ALA A 84 15.707 0.508 2.233 1.00 0.00 C ATOM 0 H ALA A 84 16.792 2.539 1.232 1.00 0.00 H new ATOM 0 HA ALA A 84 17.807 0.182 2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 84 15.425 -0.519 2.465 1.00 0.00 H new ATOM 0 HB2 ALA A 84 15.607 1.122 3.128 1.00 0.00 H new ATOM 0 HB3 ALA A 84 15.053 0.896 1.452 1.00 0.00 H new ATOM 1293 N GLY A 85 17.208 0.185 -0.678 1.00 0.00 N ATOM 1294 CA GLY A 85 17.607 -0.405 -1.944 1.00 0.00 C ATOM 1295 C GLY A 85 16.635 -0.082 -3.073 1.00 0.00 C ATOM 1296 O GLY A 85 17.060 0.033 -4.223 1.00 0.00 O ATOM 0 H GLY A 85 16.806 1.115 -0.794 1.00 0.00 H new ATOM 0 HA2 GLY A 85 18.601 -0.046 -2.211 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.679 -1.487 -1.830 1.00 0.00 H new ATOM 1300 N TYR A 86 15.339 0.082 -2.785 1.00 0.00 N ATOM 1301 CA TYR A 86 14.331 0.260 -3.826 1.00 0.00 C ATOM 1302 C TYR A 86 14.322 1.721 -4.295 1.00 0.00 C ATOM 1303 O TYR A 86 13.755 2.599 -3.643 1.00 0.00 O ATOM 1304 CB TYR A 86 12.943 -0.227 -3.372 1.00 0.00 C ATOM 1305 CG TYR A 86 12.917 -1.589 -2.697 1.00 0.00 C ATOM 1306 CD1 TYR A 86 13.321 -2.739 -3.401 1.00 0.00 C ATOM 1307 CD2 TYR A 86 12.493 -1.710 -1.358 1.00 0.00 C ATOM 1308 CE1 TYR A 86 13.323 -3.994 -2.771 1.00 0.00 C ATOM 1309 CE2 TYR A 86 12.430 -2.970 -0.741 1.00 0.00 C ATOM 1310 CZ TYR A 86 12.862 -4.114 -1.439 1.00 0.00 C ATOM 1311 OH TYR A 86 12.847 -5.331 -0.832 1.00 0.00 O ATOM 0 H TYR A 86 14.967 0.095 -1.835 1.00 0.00 H new ATOM 0 HA TYR A 86 14.595 -0.364 -4.680 1.00 0.00 H new ATOM 0 HB2 TYR A 86 12.526 0.508 -2.684 1.00 0.00 H new ATOM 0 HB3 TYR A 86 12.286 -0.259 -4.241 1.00 0.00 H new ATOM 0 HD1 TYR A 86 13.631 -2.656 -4.432 1.00 0.00 H new ATOM 0 HD2 TYR A 86 12.214 -0.827 -0.802 1.00 0.00 H new ATOM 0 HE1 TYR A 86 13.676 -4.866 -3.302 1.00 0.00 H new ATOM 0 HE2 TYR A 86 12.051 -3.061 0.266 1.00 0.00 H new ATOM 0 HH TYR A 86 12.027 -5.423 -0.303 1.00 0.00 H new ATOM 1321 N SER A 87 14.925 1.990 -5.450 1.00 0.00 N ATOM 1322 CA SER A 87 15.063 3.330 -6.039 1.00 0.00 C ATOM 1323 C SER A 87 13.768 3.985 -6.567 1.00 0.00 C ATOM 1324 O SER A 87 13.809 5.029 -7.217 1.00 0.00 O ATOM 1325 CB SER A 87 16.083 3.258 -7.160 1.00 0.00 C ATOM 1326 OG SER A 87 17.375 3.015 -6.636 1.00 0.00 O ATOM 0 H SER A 87 15.347 1.261 -6.025 1.00 0.00 H new ATOM 0 HA SER A 87 15.377 3.975 -5.218 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.811 2.465 -7.857 1.00 0.00 H new ATOM 0 HB3 SER A 87 16.081 4.192 -7.722 1.00 0.00 H new ATOM 0 HG SER A 87 18.023 2.969 -7.370 1.00 0.00 H new ATOM 1332 N ALA A 88 12.621 3.385 -6.273 1.00 0.00 N ATOM 1333 CA ALA A 88 11.275 3.818 -6.639 1.00 0.00 C ATOM 1334 C ALA A 88 11.101 3.939 -8.164 1.00 0.00 C ATOM 1335 O ALA A 88 11.926 3.461 -8.952 1.00 0.00 O ATOM 1336 CB ALA A 88 10.900 5.097 -5.868 1.00 0.00 C ATOM 0 H ALA A 88 12.604 2.520 -5.733 1.00 0.00 H new ATOM 0 HA ALA A 88 10.565 3.048 -6.338 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.895 5.410 -6.149 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.932 4.899 -4.797 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.608 5.889 -6.111 1.00 0.00 H new ATOM 1342 N THR A 89 9.959 4.464 -8.599 1.00 0.00 N ATOM 1343 CA THR A 89 9.743 5.069 -9.900 1.00 0.00 C ATOM 1344 C THR A 89 9.547 6.569 -9.667 1.00 0.00 C ATOM 1345 O THR A 89 9.450 7.041 -8.536 1.00 0.00 O ATOM 1346 CB THR A 89 8.524 4.466 -10.651 1.00 0.00 C ATOM 1347 OG1 THR A 89 7.305 4.946 -10.136 1.00 0.00 O ATOM 1348 CG2 THR A 89 8.383 2.946 -10.644 1.00 0.00 C ATOM 0 H THR A 89 9.119 4.477 -8.020 1.00 0.00 H new ATOM 0 HA THR A 89 10.605 4.872 -10.538 1.00 0.00 H new ATOM 0 HB THR A 89 8.732 4.785 -11.672 1.00 0.00 H new ATOM 0 HG1 THR A 89 6.560 4.547 -10.633 1.00 0.00 H new ATOM 0 HG21 THR A 89 7.492 2.661 -11.203 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.261 2.497 -11.108 1.00 0.00 H new ATOM 0 HG23 THR A 89 8.295 2.593 -9.616 1.00 0.00 H new ATOM 1356 N LYS A 90 9.348 7.300 -10.757 1.00 0.00 N ATOM 1357 CA LYS A 90 8.839 8.665 -10.836 1.00 0.00 C ATOM 1358 C LYS A 90 7.369 8.793 -10.401 1.00 0.00 C ATOM 1359 O LYS A 90 6.646 9.645 -10.929 1.00 0.00 O ATOM 1360 CB LYS A 90 9.025 9.068 -12.307 1.00 0.00 C ATOM 1361 CG LYS A 90 10.361 9.788 -12.555 1.00 0.00 C ATOM 1362 CD LYS A 90 10.411 11.221 -12.013 1.00 0.00 C ATOM 1363 CE LYS A 90 9.263 12.078 -12.573 1.00 0.00 C ATOM 1364 NZ LYS A 90 9.352 13.497 -12.184 1.00 0.00 N ATOM 0 H LYS A 90 9.555 6.924 -11.682 1.00 0.00 H new ATOM 0 HA LYS A 90 9.377 9.318 -10.149 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.974 8.178 -12.934 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.204 9.718 -12.609 1.00 0.00 H new ATOM 0 HG2 LYS A 90 11.163 9.210 -12.097 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.556 9.810 -13.627 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.354 11.201 -10.925 1.00 0.00 H new ATOM 0 HD3 LYS A 90 11.366 11.676 -12.274 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.262 12.006 -13.661 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.313 11.672 -12.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.551 14.020 -12.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.324 13.575 -11.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.244 13.899 -12.538 1.00 0.00 H new ATOM 1378 N GLY A 91 6.873 7.928 -9.520 1.00 0.00 N ATOM 1379 CA GLY A 91 5.451 7.853 -9.259 1.00 0.00 C ATOM 1380 C GLY A 91 5.064 6.976 -8.088 1.00 0.00 C ATOM 1381 O GLY A 91 4.102 7.312 -7.402 1.00 0.00 O ATOM 0 H GLY A 91 7.439 7.274 -8.979 1.00 0.00 H new ATOM 0 HA2 GLY A 91 5.076 8.860 -9.079 1.00 0.00 H new ATOM 0 HA3 GLY A 91 4.951 7.481 -10.153 1.00 0.00 H new ATOM 1385 N LEU A 92 5.776 5.870 -7.866 1.00 0.00 N ATOM 1386 CA LEU A 92 5.520 4.974 -6.727 1.00 0.00 C ATOM 1387 C LEU A 92 6.715 4.060 -6.433 1.00 0.00 C ATOM 1388 O LEU A 92 7.673 4.027 -7.202 1.00 0.00 O ATOM 1389 CB LEU A 92 4.205 4.188 -6.897 1.00 0.00 C ATOM 1390 CG LEU A 92 3.997 3.381 -8.185 1.00 0.00 C ATOM 1391 CD1 LEU A 92 5.046 2.283 -8.398 1.00 0.00 C ATOM 1392 CD2 LEU A 92 2.567 2.827 -8.128 1.00 0.00 C ATOM 0 H LEU A 92 6.544 5.567 -8.465 1.00 0.00 H new ATOM 0 HA LEU A 92 5.393 5.605 -5.848 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.119 3.499 -6.057 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.381 4.897 -6.813 1.00 0.00 H new ATOM 0 HG LEU A 92 4.129 4.028 -9.052 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.836 1.754 -9.328 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.037 2.733 -8.453 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.012 1.581 -7.565 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.367 2.242 -9.026 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.458 2.192 -7.249 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.859 3.653 -8.068 1.00 0.00 H new ATOM 1404 N PHE A 93 6.680 3.283 -5.348 1.00 0.00 N ATOM 1405 CA PHE A 93 7.691 2.273 -5.039 1.00 0.00 C ATOM 1406 C PHE A 93 7.114 0.867 -5.225 1.00 0.00 C ATOM 1407 O PHE A 93 6.118 0.476 -4.611 1.00 0.00 O ATOM 1408 CB PHE A 93 8.362 2.513 -3.679 1.00 0.00 C ATOM 1409 CG PHE A 93 7.459 2.736 -2.479 1.00 0.00 C ATOM 1410 CD1 PHE A 93 7.017 1.656 -1.692 1.00 0.00 C ATOM 1411 CD2 PHE A 93 7.118 4.046 -2.102 1.00 0.00 C ATOM 1412 CE1 PHE A 93 6.236 1.891 -0.545 1.00 0.00 C ATOM 1413 CE2 PHE A 93 6.312 4.278 -0.980 1.00 0.00 C ATOM 1414 CZ PHE A 93 5.863 3.201 -0.200 1.00 0.00 C ATOM 0 H PHE A 93 5.938 3.340 -4.651 1.00 0.00 H new ATOM 0 HA PHE A 93 8.508 2.365 -5.755 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.001 1.657 -3.464 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.014 3.381 -3.775 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.278 0.645 -1.969 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.481 4.881 -2.682 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.922 1.062 0.072 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.036 5.288 -0.715 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.235 3.378 0.660 1.00 0.00 H new ATOM 1424 N ARG A 94 7.720 0.097 -6.129 1.00 0.00 N ATOM 1425 CA ARG A 94 7.383 -1.301 -6.369 1.00 0.00 C ATOM 1426 C ARG A 94 8.483 -2.164 -5.783 1.00 0.00 C ATOM 1427 O ARG A 94 9.660 -1.875 -6.004 1.00 0.00 O ATOM 1428 CB ARG A 94 7.122 -1.568 -7.864 1.00 0.00 C ATOM 1429 CG ARG A 94 8.358 -1.539 -8.787 1.00 0.00 C ATOM 1430 CD ARG A 94 8.912 -2.948 -9.035 1.00 0.00 C ATOM 1431 NE ARG A 94 10.226 -2.946 -9.697 1.00 0.00 N ATOM 1432 CZ ARG A 94 11.415 -3.063 -9.088 1.00 0.00 C ATOM 1433 NH1 ARG A 94 11.540 -2.924 -7.772 1.00 0.00 N ATOM 1434 NH2 ARG A 94 12.489 -3.342 -9.809 1.00 0.00 N ATOM 0 H ARG A 94 8.474 0.437 -6.726 1.00 0.00 H new ATOM 0 HA ARG A 94 6.448 -1.558 -5.871 1.00 0.00 H new ATOM 0 HB2 ARG A 94 6.646 -2.544 -7.960 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.408 -0.828 -8.225 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.091 -1.080 -9.739 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.133 -0.917 -8.339 1.00 0.00 H new ATOM 0 HD2 ARG A 94 8.993 -3.472 -8.083 1.00 0.00 H new ATOM 0 HD3 ARG A 94 8.205 -3.507 -9.648 1.00 0.00 H new ATOM 0 HE ARG A 94 10.233 -2.847 -10.712 1.00 0.00 H new ATOM 0 HH11 ARG A 94 10.720 -2.723 -7.200 1.00 0.00 H new ATOM 0 HH12 ARG A 94 12.456 -3.018 -7.334 1.00 0.00 H new ATOM 0 HH21 ARG A 94 12.408 -3.466 -10.818 1.00 0.00 H new ATOM 0 HH22 ARG A 94 13.398 -3.433 -9.356 1.00 0.00 H new ATOM 1448 N ILE A 95 8.123 -3.261 -5.136 1.00 0.00 N ATOM 1449 CA ILE A 95 9.058 -4.297 -4.723 1.00 0.00 C ATOM 1450 C ILE A 95 8.650 -5.554 -5.511 1.00 0.00 C ATOM 1451 O ILE A 95 7.449 -5.766 -5.708 1.00 0.00 O ATOM 1452 CB ILE A 95 8.981 -4.495 -3.185 1.00 0.00 C ATOM 1453 CG1 ILE A 95 9.300 -3.218 -2.361 1.00 0.00 C ATOM 1454 CG2 ILE A 95 10.002 -5.549 -2.732 1.00 0.00 C ATOM 1455 CD1 ILE A 95 8.108 -2.299 -2.079 1.00 0.00 C ATOM 0 H ILE A 95 7.156 -3.460 -4.878 1.00 0.00 H new ATOM 0 HA ILE A 95 10.097 -4.044 -4.934 1.00 0.00 H new ATOM 0 HB ILE A 95 7.948 -4.791 -3.000 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.736 -3.521 -1.409 1.00 0.00 H new ATOM 0 HG13 ILE A 95 10.060 -2.645 -2.892 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.937 -5.678 -1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.788 -6.498 -3.224 1.00 0.00 H new ATOM 0 HG23 ILE A 95 11.007 -5.221 -2.998 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.441 -1.439 -1.498 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.681 -1.957 -3.022 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.352 -2.846 -1.516 1.00 0.00 H new ATOM 1467 N PRO A 96 9.590 -6.411 -5.959 1.00 0.00 N ATOM 1468 CA PRO A 96 9.255 -7.718 -6.523 1.00 0.00 C ATOM 1469 C PRO A 96 8.482 -8.561 -5.511 1.00 0.00 C ATOM 1470 O PRO A 96 8.627 -8.387 -4.303 1.00 0.00 O ATOM 1471 CB PRO A 96 10.594 -8.370 -6.902 1.00 0.00 C ATOM 1472 CG PRO A 96 11.612 -7.635 -6.035 1.00 0.00 C ATOM 1473 CD PRO A 96 11.034 -6.230 -5.936 1.00 0.00 C ATOM 0 HA PRO A 96 8.608 -7.628 -7.396 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.591 -9.440 -6.696 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.811 -8.251 -7.963 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.714 -8.098 -5.054 1.00 0.00 H new ATOM 0 HG3 PRO A 96 12.602 -7.632 -6.491 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.355 -5.736 -5.019 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.366 -5.608 -6.767 1.00 0.00 H new ATOM 1481 N TRP A 97 7.716 -9.536 -5.993 1.00 0.00 N ATOM 1482 CA TRP A 97 7.141 -10.546 -5.108 1.00 0.00 C ATOM 1483 C TRP A 97 8.210 -11.333 -4.350 1.00 0.00 C ATOM 1484 O TRP A 97 7.911 -11.848 -3.278 1.00 0.00 O ATOM 1485 CB TRP A 97 6.224 -11.498 -5.868 1.00 0.00 C ATOM 1486 CG TRP A 97 5.027 -10.864 -6.504 1.00 0.00 C ATOM 1487 CD1 TRP A 97 4.592 -11.124 -7.751 1.00 0.00 C ATOM 1488 CD2 TRP A 97 4.045 -9.951 -5.927 1.00 0.00 C ATOM 1489 NE1 TRP A 97 3.443 -10.406 -8.017 1.00 0.00 N ATOM 1490 CE2 TRP A 97 3.059 -9.665 -6.918 1.00 0.00 C ATOM 1491 CE3 TRP A 97 3.871 -9.361 -4.657 1.00 0.00 C ATOM 1492 CZ2 TRP A 97 1.980 -8.806 -6.671 1.00 0.00 C ATOM 1493 CZ3 TRP A 97 2.797 -8.501 -4.396 1.00 0.00 C ATOM 1494 CH2 TRP A 97 1.853 -8.215 -5.403 1.00 0.00 C ATOM 0 H TRP A 97 7.481 -9.648 -6.979 1.00 0.00 H new ATOM 0 HA TRP A 97 6.547 -10.004 -4.372 1.00 0.00 H new ATOM 0 HB2 TRP A 97 6.806 -11.995 -6.644 1.00 0.00 H new ATOM 0 HB3 TRP A 97 5.882 -12.272 -5.181 1.00 0.00 H new ATOM 0 HD1 TRP A 97 5.073 -11.798 -8.444 1.00 0.00 H new ATOM 0 HE1 TRP A 97 2.945 -10.421 -8.907 1.00 0.00 H new ATOM 0 HE3 TRP A 97 4.580 -9.577 -3.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.256 -8.601 -7.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 2.691 -8.055 -3.418 1.00 0.00 H new ATOM 0 HH2 TRP A 97 1.033 -7.542 -5.200 1.00 0.00 H new ATOM 1505 N ASN A 98 9.432 -11.437 -4.885 1.00 0.00 N ATOM 1506 CA ASN A 98 10.533 -12.140 -4.233 1.00 0.00 C ATOM 1507 C ASN A 98 10.852 -11.509 -2.872 1.00 0.00 C ATOM 1508 O ASN A 98 10.652 -12.131 -1.828 1.00 0.00 O ATOM 1509 CB ASN A 98 11.767 -12.168 -5.152 1.00 0.00 C ATOM 1510 CG ASN A 98 12.804 -13.172 -4.659 1.00 0.00 C ATOM 1511 OD1 ASN A 98 12.835 -14.303 -5.141 1.00 0.00 O ATOM 1512 ND2 ASN A 98 13.679 -12.811 -3.738 1.00 0.00 N ATOM 0 H ASN A 98 9.682 -11.032 -5.787 1.00 0.00 H new ATOM 0 HA ASN A 98 10.232 -13.171 -4.049 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.462 -12.426 -6.166 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.213 -11.174 -5.196 1.00 0.00 H new ATOM 0 HD21 ASN A 98 14.388 -13.472 -3.421 1.00 0.00 H new ATOM 0 HD22 ASN A 98 13.646 -11.871 -3.344 1.00 0.00 H new ATOM 1519 N ASP A 99 11.372 -10.281 -2.895 1.00 0.00 N ATOM 1520 CA ASP A 99 11.969 -9.613 -1.736 1.00 0.00 C ATOM 1521 C ASP A 99 10.907 -8.957 -0.852 1.00 0.00 C ATOM 1522 O ASP A 99 9.757 -8.826 -1.277 1.00 0.00 O ATOM 1523 CB ASP A 99 13.007 -8.578 -2.211 1.00 0.00 C ATOM 1524 CG ASP A 99 14.403 -9.172 -2.377 1.00 0.00 C ATOM 1525 OD1 ASP A 99 14.519 -10.413 -2.536 1.00 0.00 O ATOM 1526 OD2 ASP A 99 15.368 -8.377 -2.384 1.00 0.00 O ATOM 0 H ASP A 99 11.391 -9.709 -3.739 1.00 0.00 H new ATOM 0 HA ASP A 99 12.469 -10.366 -1.127 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.682 -8.155 -3.161 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.049 -7.758 -1.494 1.00 0.00 H new ATOM 1531 N PRO A 100 11.236 -8.570 0.392 1.00 0.00 N ATOM 1532 CA PRO A 100 10.230 -8.078 1.314 1.00 0.00 C ATOM 1533 C PRO A 100 9.875 -6.610 1.076 1.00 0.00 C ATOM 1534 O PRO A 100 10.726 -5.745 0.840 1.00 0.00 O ATOM 1535 CB PRO A 100 10.789 -8.326 2.709 1.00 0.00 C ATOM 1536 CG PRO A 100 12.292 -8.218 2.494 1.00 0.00 C ATOM 1537 CD PRO A 100 12.487 -8.813 1.101 1.00 0.00 C ATOM 0 HA PRO A 100 9.284 -8.601 1.172 1.00 0.00 H new ATOM 0 HB2 PRO A 100 10.429 -7.588 3.426 1.00 0.00 H new ATOM 0 HB3 PRO A 100 10.504 -9.307 3.090 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.633 -7.184 2.542 1.00 0.00 H new ATOM 0 HG3 PRO A 100 12.848 -8.772 3.250 1.00 0.00 H new ATOM 0 HD2 PRO A 100 13.326 -8.343 0.588 1.00 0.00 H new ATOM 0 HD3 PRO A 100 12.705 -9.880 1.157 1.00 0.00 H new ATOM 1545 N VAL A 101 8.578 -6.354 1.187 1.00 0.00 N ATOM 1546 CA VAL A 101 7.956 -5.040 1.203 1.00 0.00 C ATOM 1547 C VAL A 101 8.299 -4.440 2.565 1.00 0.00 C ATOM 1548 O VAL A 101 7.918 -5.003 3.594 1.00 0.00 O ATOM 1549 CB VAL A 101 6.432 -5.200 0.974 1.00 0.00 C ATOM 1550 CG1 VAL A 101 5.637 -3.899 1.157 1.00 0.00 C ATOM 1551 CG2 VAL A 101 6.139 -5.720 -0.443 1.00 0.00 C ATOM 0 H VAL A 101 7.893 -7.104 1.273 1.00 0.00 H new ATOM 0 HA VAL A 101 8.313 -4.378 0.414 1.00 0.00 H new ATOM 0 HB VAL A 101 6.112 -5.912 1.735 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.579 -4.091 0.980 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.774 -3.529 2.173 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.993 -3.152 0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.062 -5.823 -0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.530 -5.016 -1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.616 -6.690 -0.580 1.00 0.00 H new ATOM 1561 N HIS A 102 9.063 -3.345 2.585 1.00 0.00 N ATOM 1562 CA HIS A 102 9.466 -2.634 3.780 1.00 0.00 C ATOM 1563 C HIS A 102 8.272 -1.945 4.451 1.00 0.00 C ATOM 1564 O HIS A 102 7.949 -0.790 4.154 1.00 0.00 O ATOM 1565 CB HIS A 102 10.564 -1.656 3.344 1.00 0.00 C ATOM 1566 CG HIS A 102 11.660 -1.418 4.334 1.00 0.00 C ATOM 1567 ND1 HIS A 102 11.581 -1.290 5.699 1.00 0.00 N ATOM 1568 CD2 HIS A 102 12.956 -1.245 3.964 1.00 0.00 C ATOM 1569 CE1 HIS A 102 12.815 -0.989 6.141 1.00 0.00 C ATOM 1570 NE2 HIS A 102 13.696 -0.982 5.124 1.00 0.00 N ATOM 0 H HIS A 102 9.427 -2.921 1.732 1.00 0.00 H new ATOM 0 HA HIS A 102 9.853 -3.310 4.542 1.00 0.00 H new ATOM 0 HB2 HIS A 102 11.009 -2.028 2.421 1.00 0.00 H new ATOM 0 HB3 HIS A 102 10.098 -0.699 3.110 1.00 0.00 H new ATOM 0 HD2 HIS A 102 13.345 -1.300 2.958 1.00 0.00 H new ATOM 0 HE1 HIS A 102 13.065 -0.781 7.171 1.00 0.00 H new ATOM 0 HE2 HIS A 102 14.701 -0.818 5.185 1.00 0.00 H new ATOM 1578 N TYR A 103 7.603 -2.663 5.352 1.00 0.00 N ATOM 1579 CA TYR A 103 6.491 -2.167 6.152 1.00 0.00 C ATOM 1580 C TYR A 103 6.937 -0.955 6.967 1.00 0.00 C ATOM 1581 O TYR A 103 6.211 0.024 7.082 1.00 0.00 O ATOM 1582 CB TYR A 103 5.965 -3.290 7.067 1.00 0.00 C ATOM 1583 CG TYR A 103 5.107 -4.367 6.415 1.00 0.00 C ATOM 1584 CD1 TYR A 103 5.078 -4.557 5.018 1.00 0.00 C ATOM 1585 CD2 TYR A 103 4.297 -5.180 7.231 1.00 0.00 C ATOM 1586 CE1 TYR A 103 4.245 -5.533 4.452 1.00 0.00 C ATOM 1587 CE2 TYR A 103 3.481 -6.177 6.678 1.00 0.00 C ATOM 1588 CZ TYR A 103 3.458 -6.365 5.281 1.00 0.00 C ATOM 1589 OH TYR A 103 2.685 -7.347 4.742 1.00 0.00 O ATOM 0 H TYR A 103 7.830 -3.638 5.549 1.00 0.00 H new ATOM 0 HA TYR A 103 5.680 -1.854 5.495 1.00 0.00 H new ATOM 0 HB2 TYR A 103 6.822 -3.776 7.534 1.00 0.00 H new ATOM 0 HB3 TYR A 103 5.383 -2.831 7.867 1.00 0.00 H new ATOM 0 HD1 TYR A 103 5.701 -3.947 4.380 1.00 0.00 H new ATOM 0 HD2 TYR A 103 4.304 -5.033 8.301 1.00 0.00 H new ATOM 0 HE1 TYR A 103 4.205 -5.649 3.379 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.873 -6.798 7.319 1.00 0.00 H new ATOM 0 HH TYR A 103 2.213 -7.822 5.458 1.00 0.00 H new ATOM 1599 N GLU A 104 8.152 -0.986 7.503 1.00 0.00 N ATOM 1600 CA GLU A 104 8.697 0.038 8.376 1.00 0.00 C ATOM 1601 C GLU A 104 8.924 1.372 7.676 1.00 0.00 C ATOM 1602 O GLU A 104 8.668 2.416 8.261 1.00 0.00 O ATOM 1603 CB GLU A 104 9.988 -0.516 8.960 1.00 0.00 C ATOM 1604 CG GLU A 104 10.703 0.420 9.925 1.00 0.00 C ATOM 1605 CD GLU A 104 11.498 -0.431 10.908 1.00 0.00 C ATOM 1606 OE1 GLU A 104 12.601 -0.916 10.543 1.00 0.00 O ATOM 1607 OE2 GLU A 104 10.957 -0.739 11.992 1.00 0.00 O ATOM 0 H GLU A 104 8.804 -1.752 7.334 1.00 0.00 H new ATOM 0 HA GLU A 104 7.975 0.263 9.161 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.766 -1.449 9.478 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.666 -0.759 8.142 1.00 0.00 H new ATOM 0 HG2 GLU A 104 11.366 1.093 9.381 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.983 1.042 10.456 1.00 0.00 H new ATOM 1614 N LEU A 105 9.380 1.363 6.428 1.00 0.00 N ATOM 1615 CA LEU A 105 9.528 2.591 5.650 1.00 0.00 C ATOM 1616 C LEU A 105 8.129 3.115 5.297 1.00 0.00 C ATOM 1617 O LEU A 105 7.816 4.291 5.490 1.00 0.00 O ATOM 1618 CB LEU A 105 10.370 2.286 4.388 1.00 0.00 C ATOM 1619 CG LEU A 105 11.388 3.362 3.964 1.00 0.00 C ATOM 1620 CD1 LEU A 105 10.746 4.717 3.660 1.00 0.00 C ATOM 1621 CD2 LEU A 105 12.514 3.502 4.991 1.00 0.00 C ATOM 0 H LEU A 105 9.655 0.516 5.931 1.00 0.00 H new ATOM 0 HA LEU A 105 10.047 3.362 6.219 1.00 0.00 H new ATOM 0 HB2 LEU A 105 10.909 1.353 4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.687 2.115 3.556 1.00 0.00 H new ATOM 0 HG LEU A 105 11.820 3.012 3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 105 11.519 5.428 3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 105 10.029 4.606 2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 105 10.232 5.084 4.549 1.00 0.00 H new ATOM 0 HD21 LEU A 105 13.214 4.269 4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 105 12.093 3.786 5.956 1.00 0.00 H new ATOM 0 HD23 LEU A 105 13.037 2.551 5.089 1.00 0.00 H new ATOM 1633 N LEU A 106 7.260 2.231 4.790 1.00 0.00 N ATOM 1634 CA LEU A 106 5.948 2.617 4.282 1.00 0.00 C ATOM 1635 C LEU A 106 4.969 3.032 5.398 1.00 0.00 C ATOM 1636 O LEU A 106 4.107 3.873 5.140 1.00 0.00 O ATOM 1637 CB LEU A 106 5.457 1.596 3.239 1.00 0.00 C ATOM 1638 CG LEU A 106 4.595 0.451 3.772 1.00 0.00 C ATOM 1639 CD1 LEU A 106 3.162 0.914 4.013 1.00 0.00 C ATOM 1640 CD2 LEU A 106 4.625 -0.770 2.853 1.00 0.00 C ATOM 0 H LEU A 106 7.451 1.231 4.723 1.00 0.00 H new ATOM 0 HA LEU A 106 6.025 3.549 3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 106 4.887 2.130 2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.327 1.168 2.742 1.00 0.00 H new ATOM 0 HG LEU A 106 5.024 0.145 4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.569 0.081 4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.159 1.723 4.743 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.732 1.269 3.076 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.998 -1.557 3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.249 -0.493 1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.649 -1.132 2.762 1.00 0.00 H new ATOM 1652 N LYS A 107 5.117 2.541 6.640 1.00 0.00 N ATOM 1653 CA LYS A 107 4.348 3.008 7.784 1.00 0.00 C ATOM 1654 C LYS A 107 4.704 4.451 8.130 1.00 0.00 C ATOM 1655 O LYS A 107 3.777 5.217 8.345 1.00 0.00 O ATOM 1656 CB LYS A 107 4.468 2.032 8.970 1.00 0.00 C ATOM 1657 CG LYS A 107 5.718 2.155 9.824 1.00 0.00 C ATOM 1658 CD LYS A 107 5.984 0.977 10.774 1.00 0.00 C ATOM 1659 CE LYS A 107 5.170 1.091 12.063 1.00 0.00 C ATOM 1660 NZ LYS A 107 5.795 0.344 13.178 1.00 0.00 N ATOM 0 H LYS A 107 5.782 1.803 6.870 1.00 0.00 H new ATOM 0 HA LYS A 107 3.291 3.019 7.519 1.00 0.00 H new ATOM 0 HB2 LYS A 107 3.600 2.169 9.614 1.00 0.00 H new ATOM 0 HB3 LYS A 107 4.419 1.015 8.581 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.578 2.270 9.165 1.00 0.00 H new ATOM 0 HG3 LYS A 107 5.645 3.068 10.415 1.00 0.00 H new ATOM 0 HD2 LYS A 107 5.738 0.042 10.271 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.046 0.939 11.017 1.00 0.00 H new ATOM 0 HE2 LYS A 107 5.072 2.141 12.339 1.00 0.00 H new ATOM 0 HE3 LYS A 107 4.163 0.711 11.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 5.213 0.446 14.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 5.865 -0.662 12.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 6.746 0.723 13.359 1.00 0.00 H new ATOM 1674 N GLN A 108 5.987 4.852 8.132 1.00 0.00 N ATOM 1675 CA GLN A 108 6.368 6.209 8.542 1.00 0.00 C ATOM 1676 C GLN A 108 5.571 7.228 7.743 1.00 0.00 C ATOM 1677 O GLN A 108 4.938 8.113 8.311 1.00 0.00 O ATOM 1678 CB GLN A 108 7.863 6.510 8.333 1.00 0.00 C ATOM 1679 CG GLN A 108 8.777 5.668 9.215 1.00 0.00 C ATOM 1680 CD GLN A 108 10.176 6.266 9.291 1.00 0.00 C ATOM 1681 OE1 GLN A 108 10.388 7.334 9.856 1.00 0.00 O ATOM 1682 NE2 GLN A 108 11.157 5.611 8.703 1.00 0.00 N ATOM 0 H GLN A 108 6.770 4.259 7.856 1.00 0.00 H new ATOM 0 HA GLN A 108 6.155 6.276 9.609 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.119 6.337 7.288 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.046 7.565 8.535 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.354 5.597 10.217 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.834 4.654 8.820 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.970 4.724 8.236 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.103 5.991 8.715 1.00 0.00 H new ATOM 1691 N MET A 109 5.603 7.083 6.420 1.00 0.00 N ATOM 1692 CA MET A 109 4.958 8.018 5.523 1.00 0.00 C ATOM 1693 C MET A 109 3.437 8.047 5.725 1.00 0.00 C ATOM 1694 O MET A 109 2.883 9.142 5.849 1.00 0.00 O ATOM 1695 CB MET A 109 5.437 7.757 4.090 1.00 0.00 C ATOM 1696 CG MET A 109 5.157 6.358 3.543 1.00 0.00 C ATOM 1697 SD MET A 109 5.898 6.067 1.920 1.00 0.00 S ATOM 1698 CE MET A 109 7.633 5.857 2.381 1.00 0.00 C ATOM 0 H MET A 109 6.078 6.313 5.948 1.00 0.00 H new ATOM 0 HA MET A 109 5.257 9.040 5.758 1.00 0.00 H new ATOM 0 HB2 MET A 109 4.966 8.486 3.431 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.511 7.936 4.047 1.00 0.00 H new ATOM 0 HG2 MET A 109 5.536 5.617 4.247 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.079 6.210 3.475 1.00 0.00 H new ATOM 0 HE1 MET A 109 8.269 6.306 1.618 1.00 0.00 H new ATOM 0 HE2 MET A 109 7.816 6.344 3.339 1.00 0.00 H new ATOM 0 HE3 MET A 109 7.861 4.794 2.464 1.00 0.00 H new ATOM 1708 N ILE A 110 2.742 6.902 5.799 1.00 0.00 N ATOM 1709 CA ILE A 110 1.290 6.948 5.989 1.00 0.00 C ATOM 1710 C ILE A 110 0.940 7.547 7.357 1.00 0.00 C ATOM 1711 O ILE A 110 0.040 8.380 7.432 1.00 0.00 O ATOM 1712 CB ILE A 110 0.605 5.593 5.678 1.00 0.00 C ATOM 1713 CG1 ILE A 110 -0.925 5.757 5.574 1.00 0.00 C ATOM 1714 CG2 ILE A 110 0.979 4.423 6.597 1.00 0.00 C ATOM 1715 CD1 ILE A 110 -1.715 5.620 6.880 1.00 0.00 C ATOM 0 H ILE A 110 3.145 5.967 5.733 1.00 0.00 H new ATOM 0 HA ILE A 110 0.867 7.627 5.249 1.00 0.00 H new ATOM 0 HB ILE A 110 1.011 5.304 4.708 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -1.135 6.738 5.149 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.301 5.016 4.868 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.440 3.528 6.285 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.052 4.240 6.535 1.00 0.00 H new ATOM 0 HG23 ILE A 110 0.711 4.668 7.625 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.778 5.755 6.678 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.549 4.629 7.303 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.381 6.378 7.588 1.00 0.00 H new ATOM 1727 N GLU A 111 1.651 7.161 8.421 1.00 0.00 N ATOM 1728 CA GLU A 111 1.375 7.639 9.773 1.00 0.00 C ATOM 1729 C GLU A 111 1.585 9.149 9.858 1.00 0.00 C ATOM 1730 O GLU A 111 0.716 9.867 10.367 1.00 0.00 O ATOM 1731 CB GLU A 111 2.210 6.866 10.812 1.00 0.00 C ATOM 1732 CG GLU A 111 1.740 5.404 10.896 1.00 0.00 C ATOM 1733 CD GLU A 111 2.272 4.667 12.126 1.00 0.00 C ATOM 1734 OE1 GLU A 111 3.362 4.048 12.060 1.00 0.00 O ATOM 1735 OE2 GLU A 111 1.573 4.609 13.168 1.00 0.00 O ATOM 0 H GLU A 111 2.433 6.509 8.366 1.00 0.00 H new ATOM 0 HA GLU A 111 0.328 7.446 10.009 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.265 6.901 10.539 1.00 0.00 H new ATOM 0 HB3 GLU A 111 2.118 7.341 11.789 1.00 0.00 H new ATOM 0 HG2 GLU A 111 0.650 5.380 10.910 1.00 0.00 H new ATOM 0 HG3 GLU A 111 2.059 4.875 9.998 1.00 0.00 H new ATOM 1742 N PHE A 112 2.686 9.641 9.282 1.00 0.00 N ATOM 1743 CA PHE A 112 2.941 11.064 9.159 1.00 0.00 C ATOM 1744 C PHE A 112 1.791 11.756 8.425 1.00 0.00 C ATOM 1745 O PHE A 112 1.314 12.785 8.894 1.00 0.00 O ATOM 1746 CB PHE A 112 4.297 11.329 8.485 1.00 0.00 C ATOM 1747 CG PHE A 112 4.384 12.680 7.799 1.00 0.00 C ATOM 1748 CD1 PHE A 112 4.521 13.864 8.549 1.00 0.00 C ATOM 1749 CD2 PHE A 112 4.169 12.758 6.411 1.00 0.00 C ATOM 1750 CE1 PHE A 112 4.434 15.113 7.907 1.00 0.00 C ATOM 1751 CE2 PHE A 112 4.060 14.006 5.780 1.00 0.00 C ATOM 1752 CZ PHE A 112 4.196 15.185 6.524 1.00 0.00 C ATOM 0 H PHE A 112 3.423 9.055 8.889 1.00 0.00 H new ATOM 0 HA PHE A 112 2.996 11.492 10.160 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.085 11.261 9.235 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.487 10.546 7.751 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.692 13.813 9.614 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.087 11.852 5.828 1.00 0.00 H new ATOM 0 HE1 PHE A 112 4.551 16.021 8.480 1.00 0.00 H new ATOM 0 HE2 PHE A 112 3.871 14.058 4.718 1.00 0.00 H new ATOM 0 HZ PHE A 112 4.118 16.146 6.037 1.00 0.00 H new ATOM 1762 N ASN A 113 1.309 11.204 7.307 1.00 0.00 N ATOM 1763 CA ASN A 113 0.274 11.874 6.526 1.00 0.00 C ATOM 1764 C ASN A 113 -1.018 12.065 7.327 1.00 0.00 C ATOM 1765 O ASN A 113 -1.793 12.947 6.962 1.00 0.00 O ATOM 1766 CB ASN A 113 -0.027 11.133 5.206 1.00 0.00 C ATOM 1767 CG ASN A 113 0.723 11.705 4.008 1.00 0.00 C ATOM 1768 OD1 ASN A 113 1.781 12.302 4.161 1.00 0.00 O ATOM 1769 ND2 ASN A 113 0.186 11.604 2.805 1.00 0.00 N ATOM 0 H ASN A 113 1.616 10.308 6.929 1.00 0.00 H new ATOM 0 HA ASN A 113 0.672 12.859 6.281 1.00 0.00 H new ATOM 0 HB2 ASN A 113 0.234 10.081 5.321 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -1.098 11.176 5.009 1.00 0.00 H new ATOM 0 HD21 ASN A 113 0.653 12.024 2.001 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.695 11.106 2.680 1.00 0.00 H new ATOM 1776 N ILE A 114 -1.265 11.278 8.382 1.00 0.00 N ATOM 1777 CA ILE A 114 -2.419 11.431 9.265 1.00 0.00 C ATOM 1778 C ILE A 114 -2.131 12.521 10.305 1.00 0.00 C ATOM 1779 O ILE A 114 -2.993 13.373 10.526 1.00 0.00 O ATOM 1780 CB ILE A 114 -2.756 10.088 9.950 1.00 0.00 C ATOM 1781 CG1 ILE A 114 -3.086 8.970 8.928 1.00 0.00 C ATOM 1782 CG2 ILE A 114 -3.958 10.248 10.909 1.00 0.00 C ATOM 1783 CD1 ILE A 114 -2.937 7.557 9.509 1.00 0.00 C ATOM 0 H ILE A 114 -0.655 10.505 8.647 1.00 0.00 H new ATOM 0 HA ILE A 114 -3.285 11.731 8.675 1.00 0.00 H new ATOM 0 HB ILE A 114 -1.865 9.798 10.507 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -4.107 9.103 8.571 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -2.430 9.072 8.064 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -4.178 9.290 11.380 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -3.716 10.983 11.677 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.829 10.584 10.347 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -3.182 6.821 8.743 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.910 7.407 9.841 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -3.613 7.439 10.356 1.00 0.00 H new ATOM 1795 N GLN A 115 -0.963 12.504 10.966 1.00 0.00 N ATOM 1796 CA GLN A 115 -0.658 13.492 12.013 1.00 0.00 C ATOM 1797 C GLN A 115 -0.419 14.886 11.418 1.00 0.00 C ATOM 1798 O GLN A 115 -0.464 15.898 12.119 1.00 0.00 O ATOM 1799 CB GLN A 115 0.524 13.020 12.889 1.00 0.00 C ATOM 1800 CG GLN A 115 1.891 13.266 12.234 1.00 0.00 C ATOM 1801 CD GLN A 115 3.085 12.656 12.959 1.00 0.00 C ATOM 1802 OE1 GLN A 115 3.952 12.059 12.335 1.00 0.00 O ATOM 1803 NE2 GLN A 115 3.197 12.827 14.266 1.00 0.00 N ATOM 0 H GLN A 115 -0.221 11.825 10.797 1.00 0.00 H new ATOM 0 HA GLN A 115 -1.529 13.576 12.663 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.488 13.537 13.848 1.00 0.00 H new ATOM 0 HB3 GLN A 115 0.413 11.956 13.097 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.864 12.871 11.218 1.00 0.00 H new ATOM 0 HG3 GLN A 115 2.048 14.342 12.154 1.00 0.00 H new ATOM 0 HE21 GLN A 115 2.470 13.326 14.779 1.00 0.00 H new ATOM 0 HE22 GLN A 115 4.010 12.460 14.761 1.00 0.00 H new ATOM 1812 N ASP A 116 -0.126 14.927 10.123 1.00 0.00 N ATOM 1813 CA ASP A 116 0.020 16.136 9.309 1.00 0.00 C ATOM 1814 C ASP A 116 -1.346 16.734 8.971 1.00 0.00 C ATOM 1815 O ASP A 116 -1.504 17.947 8.852 1.00 0.00 O ATOM 1816 CB ASP A 116 0.766 15.772 8.024 1.00 0.00 C ATOM 1817 CG ASP A 116 1.012 16.988 7.135 1.00 0.00 C ATOM 1818 OD1 ASP A 116 1.932 17.781 7.442 1.00 0.00 O ATOM 1819 OD2 ASP A 116 0.335 17.109 6.088 1.00 0.00 O ATOM 0 H ASP A 116 0.025 14.076 9.581 1.00 0.00 H new ATOM 0 HA ASP A 116 0.581 16.883 9.870 1.00 0.00 H new ATOM 0 HB2 ASP A 116 1.720 15.311 8.278 1.00 0.00 H new ATOM 0 HB3 ASP A 116 0.191 15.030 7.470 1.00 0.00 H new ATOM 1824 N LYS A 117 -2.364 15.876 8.896 1.00 0.00 N ATOM 1825 CA LYS A 117 -3.756 16.214 8.628 1.00 0.00 C ATOM 1826 C LYS A 117 -4.533 16.082 9.931 1.00 0.00 C ATOM 1827 O LYS A 117 -5.620 15.501 9.967 1.00 0.00 O ATOM 1828 CB LYS A 117 -4.293 15.303 7.509 1.00 0.00 C ATOM 1829 CG LYS A 117 -3.548 15.504 6.177 1.00 0.00 C ATOM 1830 CD LYS A 117 -3.976 16.741 5.384 1.00 0.00 C ATOM 1831 CE LYS A 117 -5.295 16.451 4.666 1.00 0.00 C ATOM 1832 NZ LYS A 117 -5.144 16.205 3.210 1.00 0.00 N ATOM 0 H LYS A 117 -2.229 14.874 9.028 1.00 0.00 H new ATOM 0 HA LYS A 117 -3.864 17.240 8.276 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -4.203 14.262 7.818 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -5.355 15.501 7.361 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -2.479 15.572 6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -3.698 14.621 5.556 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -4.093 17.593 6.053 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -3.206 17.007 4.660 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -5.764 15.581 5.125 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -5.971 17.293 4.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -6.077 16.016 2.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -4.725 17.043 2.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -4.524 15.384 3.059 1.00 0.00 H new ATOM 1846 N GLU A 118 -3.958 16.569 11.024 1.00 0.00 N ATOM 1847 CA GLU A 118 -4.602 16.602 12.329 1.00 0.00 C ATOM 1848 C GLU A 118 -5.831 17.490 12.243 1.00 0.00 C ATOM 1849 O GLU A 118 -6.942 16.995 12.513 1.00 0.00 O ATOM 1850 CB GLU A 118 -3.592 17.020 13.415 1.00 0.00 C ATOM 1851 CG GLU A 118 -3.459 15.888 14.457 1.00 0.00 C ATOM 1852 CD GLU A 118 -2.391 16.137 15.545 1.00 0.00 C ATOM 1853 OE1 GLU A 118 -1.885 17.270 15.706 1.00 0.00 O ATOM 1854 OE2 GLU A 118 -2.015 15.194 16.276 1.00 0.00 O ATOM 0 H GLU A 118 -3.015 16.958 11.027 1.00 0.00 H new ATOM 0 HA GLU A 118 -4.945 15.611 12.624 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -2.622 17.229 12.964 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -3.923 17.938 13.900 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -4.425 15.742 14.941 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -3.220 14.960 13.937 1.00 0.00 H new