USER MOD reduce.3.24.130724 H: found=0, std=0, add=981, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 981 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 113 THR OG1 : rot 180:sc= -0.114 USER MOD Set 1.2: A 118 SER OG : rot 180:sc= -0.0921 USER MOD Set 2.1: A 97 TYR OH : rot -100:sc= 1.03 USER MOD Set 2.2: A 99 HIS : no HD1:sc= 1.25 K(o=3,f=-1.4) USER MOD Set 2.3: A 112 SER OG : rot -99:sc= 0.728 USER MOD Set 3.1: A 98 HIS : no HE2:sc= -0.815 K(o=-1.7,f=-6.4!) USER MOD Set 3.2: A 100 THR OG1 : rot 159:sc= -0.873 USER MOD Set 4.1: A 50 SER OG : rot 180:sc= -0.118 USER MOD Set 4.2: A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 61:sc= -0.265 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0495) USER MOD Single : A 13 ASN : amide:sc= -0.259 K(o=-0.26,f=-3.1!) USER MOD Single : A 14 TYR OH : rot -128:sc= 0.849 USER MOD Single : A 18 MET CE :methyl -133:sc= 0 (180deg=-0.0247) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.288 X(o=-0.29,f=-0.23) USER MOD Single : A 35 LYS NZ :NH3+ -107:sc= 1.13 (180deg=-0.0187) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0239 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0.033) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -0.493 K(o=-0.49,f=-3.6!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc=-0.00398 X(o=-0.004,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.0136 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 42:sc= 0.66 USER MOD Single : A 61 ASN : amide:sc=-0.00108 K(o=-0.0011,f=-0.81) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 33:sc= 0.369 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.091 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.742 K(o=-0.74,f=-3.7!) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.159 K(o=-0.16,f=-1) USER MOD Single : A 94 SER OG : rot 62:sc= 1.18 USER MOD Single : A 96 ASN : amide:sc= -0.388 X(o=-0.39,f=-0.22) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 TYR OH : rot 171:sc= -0.445 USER MOD Single : A 123 SER OG : rot -10:sc= 0.407 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ -122:sc= 0.329 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N PHE A 2 7.083 -11.240 -6.307 1.00 0.00 N ATOM 12 CA PHE A 2 7.087 -9.858 -5.835 1.00 0.00 C ATOM 13 C PHE A 2 7.399 -9.988 -4.360 1.00 0.00 C ATOM 14 O PHE A 2 8.457 -9.537 -3.952 1.00 0.00 O ATOM 15 CB PHE A 2 5.780 -9.049 -6.076 1.00 0.00 C ATOM 16 CG PHE A 2 5.506 -8.580 -7.519 1.00 0.00 C ATOM 17 CD1 PHE A 2 5.860 -9.349 -8.635 1.00 0.00 C ATOM 18 CD2 PHE A 2 4.879 -7.343 -7.731 1.00 0.00 C ATOM 19 CE1 PHE A 2 5.607 -8.888 -9.930 1.00 0.00 C ATOM 20 CE2 PHE A 2 4.617 -6.882 -9.025 1.00 0.00 C ATOM 21 CZ PHE A 2 4.978 -7.658 -10.129 1.00 0.00 C ATOM 0 HA PHE A 2 7.813 -9.274 -6.401 1.00 0.00 H new ATOM 0 HB2 PHE A 2 4.938 -9.661 -5.752 1.00 0.00 H new ATOM 0 HB3 PHE A 2 5.801 -8.170 -5.432 1.00 0.00 H new ATOM 0 HD1 PHE A 2 6.334 -10.309 -8.493 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.595 -6.738 -6.883 1.00 0.00 H new ATOM 0 HE1 PHE A 2 5.899 -9.486 -10.780 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.136 -5.926 -9.171 1.00 0.00 H new ATOM 0 HZ PHE A 2 4.772 -7.309 -11.130 1.00 0.00 H new ATOM 31 N THR A 3 6.504 -10.640 -3.578 1.00 0.00 N ATOM 32 CA THR A 3 6.854 -11.069 -2.226 1.00 0.00 C ATOM 33 C THR A 3 7.691 -10.045 -1.493 1.00 0.00 C ATOM 34 O THR A 3 8.858 -10.304 -1.244 1.00 0.00 O ATOM 35 CB THR A 3 7.594 -12.435 -2.346 1.00 0.00 C ATOM 36 OG1 THR A 3 8.712 -12.263 -3.238 1.00 0.00 O ATOM 37 CG2 THR A 3 6.663 -13.560 -2.873 1.00 0.00 C ATOM 0 H THR A 3 5.553 -10.872 -3.865 1.00 0.00 H new ATOM 0 HA THR A 3 5.947 -11.177 -1.631 1.00 0.00 H new ATOM 0 HB THR A 3 7.930 -12.740 -1.355 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.323 -11.591 -2.871 1.00 0.00 H new ATOM 0 HG21 THR A 3 7.222 -14.493 -2.940 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.824 -13.688 -2.189 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.288 -13.290 -3.860 1.00 0.00 H new ATOM 45 N GLY A 4 7.128 -8.867 -1.135 1.00 0.00 N ATOM 46 CA GLY A 4 7.947 -7.885 -0.434 1.00 0.00 C ATOM 47 C GLY A 4 7.194 -6.659 0.022 1.00 0.00 C ATOM 48 O GLY A 4 5.975 -6.628 -0.068 1.00 0.00 O ATOM 0 H GLY A 4 6.162 -8.594 -1.313 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.401 -8.362 0.435 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.761 -7.574 -1.089 1.00 0.00 H new ATOM 52 N LYS A 5 7.956 -5.657 0.525 1.00 0.00 N ATOM 53 CA LYS A 5 7.380 -4.410 1.024 1.00 0.00 C ATOM 54 C LYS A 5 8.016 -3.280 0.260 1.00 0.00 C ATOM 55 O LYS A 5 9.108 -3.491 -0.246 1.00 0.00 O ATOM 56 CB LYS A 5 7.690 -4.263 2.538 1.00 0.00 C ATOM 57 CG LYS A 5 7.032 -5.421 3.337 1.00 0.00 C ATOM 58 CD LYS A 5 7.244 -5.328 4.876 1.00 0.00 C ATOM 59 CE LYS A 5 8.712 -5.593 5.310 1.00 0.00 C ATOM 60 NZ LYS A 5 8.836 -5.696 6.783 1.00 0.00 N ATOM 0 H LYS A 5 8.973 -5.701 0.591 1.00 0.00 H new ATOM 0 HA LYS A 5 6.298 -4.402 0.890 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.768 -4.268 2.698 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.319 -3.305 2.901 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.962 -5.431 3.128 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.435 -6.369 2.982 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.944 -4.337 5.218 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.591 -6.047 5.370 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.067 -6.515 4.849 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.350 -4.788 4.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.829 -5.873 7.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.520 -4.807 7.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.246 -6.480 7.127 1.00 0.00 H new ATOM 74 N TYR A 6 7.364 -2.096 0.152 1.00 0.00 N ATOM 75 CA TYR A 6 7.956 -1.019 -0.637 1.00 0.00 C ATOM 76 C TYR A 6 7.595 0.313 -0.027 1.00 0.00 C ATOM 77 O TYR A 6 6.423 0.499 0.260 1.00 0.00 O ATOM 78 CB TYR A 6 7.477 -1.093 -2.110 1.00 0.00 C ATOM 79 CG TYR A 6 7.391 -2.565 -2.538 1.00 0.00 C ATOM 80 CD1 TYR A 6 6.244 -3.312 -2.252 1.00 0.00 C ATOM 81 CD2 TYR A 6 8.453 -3.184 -3.203 1.00 0.00 C ATOM 82 CE1 TYR A 6 6.215 -4.684 -2.513 1.00 0.00 C ATOM 83 CE2 TYR A 6 8.401 -4.546 -3.516 1.00 0.00 C ATOM 84 CZ TYR A 6 7.294 -5.314 -3.135 1.00 0.00 C ATOM 85 OH TYR A 6 7.245 -6.693 -3.366 1.00 0.00 O ATOM 0 H TYR A 6 6.467 -1.879 0.586 1.00 0.00 H new ATOM 0 HA TYR A 6 9.040 -1.130 -0.631 1.00 0.00 H new ATOM 0 HB2 TYR A 6 6.503 -0.614 -2.213 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.168 -0.553 -2.757 1.00 0.00 H new ATOM 0 HD1 TYR A 6 5.378 -2.826 -1.828 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.322 -2.605 -3.478 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.348 -5.263 -2.230 1.00 0.00 H new ATOM 0 HE2 TYR A 6 9.217 -5.007 -4.053 1.00 0.00 H new ATOM 0 HH TYR A 6 8.071 -6.980 -3.808 1.00 0.00 H new ATOM 95 N GLU A 7 8.569 1.232 0.173 1.00 0.00 N ATOM 96 CA GLU A 7 8.240 2.560 0.686 1.00 0.00 C ATOM 97 C GLU A 7 8.160 3.472 -0.511 1.00 0.00 C ATOM 98 O GLU A 7 8.955 3.298 -1.419 1.00 0.00 O ATOM 99 CB GLU A 7 9.306 3.054 1.697 1.00 0.00 C ATOM 100 CG GLU A 7 9.081 4.525 2.137 1.00 0.00 C ATOM 101 CD GLU A 7 10.054 4.888 3.228 1.00 0.00 C ATOM 102 OE1 GLU A 7 11.218 5.239 2.894 1.00 0.00 O ATOM 103 OE2 GLU A 7 9.665 4.822 4.425 1.00 0.00 O ATOM 0 H GLU A 7 9.560 1.074 -0.011 1.00 0.00 H new ATOM 0 HA GLU A 7 7.295 2.543 1.228 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.292 2.410 2.576 1.00 0.00 H new ATOM 0 HB3 GLU A 7 10.295 2.961 1.249 1.00 0.00 H new ATOM 0 HG2 GLU A 7 9.211 5.192 1.285 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.058 4.655 2.491 1.00 0.00 H new ATOM 110 N ILE A 8 7.215 4.437 -0.543 1.00 0.00 N ATOM 111 CA ILE A 8 7.091 5.294 -1.722 1.00 0.00 C ATOM 112 C ILE A 8 8.368 6.077 -1.910 1.00 0.00 C ATOM 113 O ILE A 8 8.978 6.436 -0.916 1.00 0.00 O ATOM 114 CB ILE A 8 5.828 6.200 -1.621 1.00 0.00 C ATOM 115 CG1 ILE A 8 5.370 6.742 -3.006 1.00 0.00 C ATOM 116 CG2 ILE A 8 6.059 7.344 -0.598 1.00 0.00 C ATOM 117 CD1 ILE A 8 3.966 7.400 -2.926 1.00 0.00 C ATOM 0 H ILE A 8 6.553 4.631 0.209 1.00 0.00 H new ATOM 0 HA ILE A 8 6.948 4.681 -2.612 1.00 0.00 H new ATOM 0 HB ILE A 8 5.009 5.580 -1.257 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.094 7.471 -3.370 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.349 5.926 -3.728 1.00 0.00 H new ATOM 0 HG21 ILE A 8 5.166 7.967 -0.541 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.268 6.918 0.383 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.906 7.952 -0.917 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.679 7.767 -3.912 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.238 6.663 -2.587 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.994 8.233 -2.223 1.00 0.00 H new ATOM 129 N GLU A 9 8.794 6.329 -3.169 1.00 0.00 N ATOM 130 CA GLU A 9 10.078 6.987 -3.405 1.00 0.00 C ATOM 131 C GLU A 9 9.808 8.465 -3.567 1.00 0.00 C ATOM 132 O GLU A 9 10.333 9.238 -2.781 1.00 0.00 O ATOM 133 CB GLU A 9 10.797 6.320 -4.614 1.00 0.00 C ATOM 134 CG GLU A 9 12.233 6.863 -4.842 1.00 0.00 C ATOM 135 CD GLU A 9 12.203 8.281 -5.350 1.00 0.00 C ATOM 136 OE1 GLU A 9 11.741 8.481 -6.506 1.00 0.00 O ATOM 137 OE2 GLU A 9 12.639 9.201 -4.607 1.00 0.00 O ATOM 0 H GLU A 9 8.274 6.089 -4.013 1.00 0.00 H new ATOM 0 HA GLU A 9 10.767 6.872 -2.568 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.843 5.243 -4.453 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.206 6.482 -5.515 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.794 6.820 -3.908 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.756 6.228 -5.557 1.00 0.00 H new ATOM 144 N SER A 10 8.984 8.868 -4.564 1.00 0.00 N ATOM 145 CA SER A 10 8.689 10.290 -4.776 1.00 0.00 C ATOM 146 C SER A 10 7.672 10.424 -5.892 1.00 0.00 C ATOM 147 O SER A 10 8.035 10.850 -6.978 1.00 0.00 O ATOM 148 CB SER A 10 9.965 11.109 -5.129 1.00 0.00 C ATOM 149 OG SER A 10 9.664 12.500 -5.339 1.00 0.00 O ATOM 0 H SER A 10 8.523 8.236 -5.219 1.00 0.00 H new ATOM 0 HA SER A 10 8.291 10.693 -3.845 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.694 11.012 -4.324 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.425 10.697 -6.027 1.00 0.00 H new ATOM 0 HG SER A 10 10.488 12.984 -5.557 1.00 0.00 H new ATOM 155 N GLU A 11 6.391 10.057 -5.661 1.00 0.00 N ATOM 156 CA GLU A 11 5.430 10.101 -6.762 1.00 0.00 C ATOM 157 C GLU A 11 5.215 11.506 -7.267 1.00 0.00 C ATOM 158 O GLU A 11 5.561 12.446 -6.570 1.00 0.00 O ATOM 159 CB GLU A 11 4.052 9.456 -6.432 1.00 0.00 C ATOM 160 CG GLU A 11 3.196 10.164 -5.348 1.00 0.00 C ATOM 161 CD GLU A 11 2.945 11.623 -5.635 1.00 0.00 C ATOM 162 OE1 GLU A 11 2.478 11.938 -6.763 1.00 0.00 O ATOM 163 OE2 GLU A 11 3.213 12.470 -4.741 1.00 0.00 O ATOM 0 H GLU A 11 6.021 9.743 -4.764 1.00 0.00 H new ATOM 0 HA GLU A 11 5.890 9.497 -7.544 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.468 9.410 -7.351 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.224 8.428 -6.113 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.239 9.650 -5.260 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.697 10.073 -4.384 1.00 0.00 H new ATOM 170 N LYS A 12 4.615 11.642 -8.475 1.00 0.00 N ATOM 171 CA LYS A 12 4.196 12.948 -8.979 1.00 0.00 C ATOM 172 C LYS A 12 2.816 12.790 -9.585 1.00 0.00 C ATOM 173 O LYS A 12 2.397 11.661 -9.783 1.00 0.00 O ATOM 174 CB LYS A 12 5.200 13.462 -10.046 1.00 0.00 C ATOM 175 CG LYS A 12 6.669 13.574 -9.535 1.00 0.00 C ATOM 176 CD LYS A 12 6.933 14.684 -8.470 1.00 0.00 C ATOM 177 CE LYS A 12 7.341 16.069 -9.053 1.00 0.00 C ATOM 178 NZ LYS A 12 6.328 16.689 -9.937 1.00 0.00 N ATOM 0 H LYS A 12 4.417 10.864 -9.104 1.00 0.00 H new ATOM 0 HA LYS A 12 4.171 13.676 -8.168 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.176 12.792 -10.905 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.873 14.441 -10.396 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.961 12.613 -9.111 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.319 13.756 -10.391 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.033 14.811 -7.868 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.721 14.343 -7.798 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.548 16.749 -8.227 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.270 15.954 -9.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.643 17.641 -10.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.207 16.105 -10.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.421 16.757 -9.432 1.00 0.00 H new ATOM 192 N ASN A 13 2.096 13.896 -9.876 1.00 0.00 N ATOM 193 CA ASN A 13 0.768 13.791 -10.484 1.00 0.00 C ATOM 194 C ASN A 13 -0.209 12.970 -9.671 1.00 0.00 C ATOM 195 O ASN A 13 -1.147 12.459 -10.264 1.00 0.00 O ATOM 196 CB ASN A 13 0.845 13.263 -11.945 1.00 0.00 C ATOM 197 CG ASN A 13 1.732 14.094 -12.837 1.00 0.00 C ATOM 198 OD1 ASN A 13 2.400 15.001 -12.365 1.00 0.00 O ATOM 199 ND2 ASN A 13 1.749 13.790 -14.154 1.00 0.00 N ATOM 0 H ASN A 13 2.411 14.850 -9.701 1.00 0.00 H new ATOM 0 HA ASN A 13 0.378 14.809 -10.501 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.213 12.237 -11.934 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.160 13.237 -12.367 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.335 14.326 -14.794 1.00 0.00 H new ATOM 0 HD22 ASN A 13 1.176 13.024 -14.508 1.00 0.00 H new ATOM 206 N TYR A 14 -0.068 12.830 -8.331 1.00 0.00 N ATOM 207 CA TYR A 14 -1.147 12.182 -7.584 1.00 0.00 C ATOM 208 C TYR A 14 -2.301 13.159 -7.634 1.00 0.00 C ATOM 209 O TYR A 14 -3.422 12.731 -7.845 1.00 0.00 O ATOM 210 CB TYR A 14 -0.845 11.783 -6.108 1.00 0.00 C ATOM 211 CG TYR A 14 -1.299 12.879 -5.133 1.00 0.00 C ATOM 212 CD1 TYR A 14 -2.649 12.933 -4.773 1.00 0.00 C ATOM 213 CD2 TYR A 14 -0.410 13.831 -4.622 1.00 0.00 C ATOM 214 CE1 TYR A 14 -3.140 14.042 -4.085 1.00 0.00 C ATOM 215 CE2 TYR A 14 -0.899 14.919 -3.893 1.00 0.00 C ATOM 216 CZ TYR A 14 -2.280 15.075 -3.713 1.00 0.00 C ATOM 217 OH TYR A 14 -2.818 16.243 -3.174 1.00 0.00 O ATOM 0 H TYR A 14 0.734 13.139 -7.781 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.342 11.217 -8.052 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.352 10.848 -5.870 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.224 11.605 -5.988 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.310 12.118 -5.027 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.652 13.726 -4.790 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -4.190 14.101 -3.839 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.214 15.638 -3.469 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.470 17.019 -3.661 1.00 0.00 H new ATOM 227 N ASP A 15 -2.042 14.475 -7.433 1.00 0.00 N ATOM 228 CA ASP A 15 -3.129 15.447 -7.448 1.00 0.00 C ATOM 229 C ASP A 15 -3.882 15.374 -8.750 1.00 0.00 C ATOM 230 O ASP A 15 -5.098 15.306 -8.716 1.00 0.00 O ATOM 231 CB ASP A 15 -2.643 16.920 -7.337 1.00 0.00 C ATOM 232 CG ASP A 15 -1.878 17.196 -6.074 1.00 0.00 C ATOM 233 OD1 ASP A 15 -0.711 16.729 -5.981 1.00 0.00 O ATOM 234 OD2 ASP A 15 -2.425 17.891 -5.177 1.00 0.00 O ATOM 0 H ASP A 15 -1.115 14.865 -7.265 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.744 15.191 -6.585 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.012 17.154 -8.195 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.505 17.585 -7.385 1.00 0.00 H new ATOM 239 N GLU A 16 -3.177 15.418 -9.901 1.00 0.00 N ATOM 240 CA GLU A 16 -3.879 15.499 -11.179 1.00 0.00 C ATOM 241 C GLU A 16 -4.625 14.210 -11.437 1.00 0.00 C ATOM 242 O GLU A 16 -5.745 14.248 -11.923 1.00 0.00 O ATOM 243 CB GLU A 16 -2.875 15.823 -12.320 1.00 0.00 C ATOM 244 CG GLU A 16 -3.595 16.173 -13.647 1.00 0.00 C ATOM 245 CD GLU A 16 -2.601 16.523 -14.726 1.00 0.00 C ATOM 246 OE1 GLU A 16 -1.608 15.764 -14.896 1.00 0.00 O ATOM 247 OE2 GLU A 16 -2.801 17.560 -15.415 1.00 0.00 O ATOM 0 H GLU A 16 -2.159 15.399 -9.963 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.610 16.307 -11.145 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.243 16.659 -12.020 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.219 14.967 -12.479 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.203 15.328 -13.969 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.273 17.011 -13.487 1.00 0.00 H new ATOM 254 N PHE A 17 -4.016 13.051 -11.109 1.00 0.00 N ATOM 255 CA PHE A 17 -4.694 11.772 -11.324 1.00 0.00 C ATOM 256 C PHE A 17 -5.890 11.667 -10.411 1.00 0.00 C ATOM 257 O PHE A 17 -6.966 11.326 -10.879 1.00 0.00 O ATOM 258 CB PHE A 17 -3.694 10.627 -11.002 1.00 0.00 C ATOM 259 CG PHE A 17 -4.299 9.235 -11.214 1.00 0.00 C ATOM 260 CD1 PHE A 17 -5.082 8.633 -10.224 1.00 0.00 C ATOM 261 CD2 PHE A 17 -4.048 8.542 -12.402 1.00 0.00 C ATOM 262 CE1 PHE A 17 -5.605 7.351 -10.423 1.00 0.00 C ATOM 263 CE2 PHE A 17 -4.450 7.212 -12.542 1.00 0.00 C ATOM 264 CZ PHE A 17 -5.307 6.650 -11.593 1.00 0.00 C ATOM 0 H PHE A 17 -3.082 12.981 -10.706 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.032 11.699 -12.358 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.811 10.734 -11.631 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.362 10.721 -9.968 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.284 9.160 -9.303 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.540 9.038 -13.216 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.239 6.904 -9.672 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.101 6.623 -13.377 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.738 5.675 -11.764 1.00 0.00 H new ATOM 274 N MET A 18 -5.727 11.954 -9.102 1.00 0.00 N ATOM 275 CA MET A 18 -6.841 11.795 -8.175 1.00 0.00 C ATOM 276 C MET A 18 -7.893 12.831 -8.471 1.00 0.00 C ATOM 277 O MET A 18 -9.066 12.520 -8.368 1.00 0.00 O ATOM 278 CB MET A 18 -6.372 11.918 -6.703 1.00 0.00 C ATOM 279 CG MET A 18 -7.552 11.655 -5.734 1.00 0.00 C ATOM 280 SD MET A 18 -6.948 11.474 -4.023 1.00 0.00 S ATOM 281 CE MET A 18 -6.338 9.756 -4.067 1.00 0.00 C ATOM 0 H MET A 18 -4.858 12.286 -8.683 1.00 0.00 H new ATOM 0 HA MET A 18 -7.260 10.798 -8.309 1.00 0.00 H new ATOM 0 HB2 MET A 18 -5.570 11.206 -6.510 1.00 0.00 H new ATOM 0 HB3 MET A 18 -5.964 12.913 -6.527 1.00 0.00 H new ATOM 0 HG2 MET A 18 -8.265 12.478 -5.789 1.00 0.00 H new ATOM 0 HG3 MET A 18 -8.083 10.752 -6.035 1.00 0.00 H new ATOM 0 HE1 MET A 18 -6.701 9.218 -3.191 1.00 0.00 H new ATOM 0 HE2 MET A 18 -6.700 9.264 -4.970 1.00 0.00 H new ATOM 0 HE3 MET A 18 -5.248 9.757 -4.066 1.00 0.00 H new ATOM 291 N LYS A 19 -7.500 14.064 -8.852 1.00 0.00 N ATOM 292 CA LYS A 19 -8.482 15.049 -9.305 1.00 0.00 C ATOM 293 C LYS A 19 -9.253 14.464 -10.461 1.00 0.00 C ATOM 294 O LYS A 19 -10.448 14.700 -10.540 1.00 0.00 O ATOM 295 CB LYS A 19 -7.772 16.376 -9.698 1.00 0.00 C ATOM 296 CG LYS A 19 -8.670 17.475 -10.341 1.00 0.00 C ATOM 297 CD LYS A 19 -9.025 17.309 -11.853 1.00 0.00 C ATOM 298 CE LYS A 19 -7.799 17.043 -12.772 1.00 0.00 C ATOM 299 NZ LYS A 19 -8.133 17.202 -14.206 1.00 0.00 N ATOM 0 H LYS A 19 -6.533 14.388 -8.853 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.180 15.285 -8.502 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.308 16.793 -8.804 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.968 16.140 -10.395 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.602 17.522 -9.778 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.172 18.436 -10.214 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.730 16.485 -11.960 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.533 18.210 -12.196 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.994 17.729 -12.509 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.427 16.034 -12.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.287 17.016 -14.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.883 16.530 -14.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.463 18.173 -14.380 1.00 0.00 H new ATOM 313 N ARG A 20 -8.617 13.693 -11.372 1.00 0.00 N ATOM 314 CA ARG A 20 -9.378 13.169 -12.500 1.00 0.00 C ATOM 315 C ARG A 20 -10.456 12.237 -11.985 1.00 0.00 C ATOM 316 O ARG A 20 -11.575 12.302 -12.468 1.00 0.00 O ATOM 317 CB ARG A 20 -8.467 12.462 -13.539 1.00 0.00 C ATOM 318 CG ARG A 20 -9.154 12.445 -14.929 1.00 0.00 C ATOM 319 CD ARG A 20 -8.335 11.613 -15.943 1.00 0.00 C ATOM 320 NE ARG A 20 -8.857 11.702 -17.310 1.00 0.00 N ATOM 321 CZ ARG A 20 -8.625 12.709 -18.128 1.00 0.00 C ATOM 322 NH1 ARG A 20 -7.953 13.784 -17.782 1.00 0.00 N ATOM 323 NH2 ARG A 20 -9.087 12.639 -19.357 1.00 0.00 N ATOM 0 H ARG A 20 -7.630 13.436 -11.345 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.845 14.004 -13.022 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.509 12.978 -13.605 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.258 11.442 -13.216 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.157 12.028 -14.838 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.265 13.465 -15.296 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.300 11.954 -15.932 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.330 10.569 -15.629 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.437 10.935 -17.650 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.580 13.870 -16.837 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.805 14.532 -18.459 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.612 11.818 -19.659 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.920 13.406 -20.009 1.00 0.00 H new ATOM 337 N LEU A 21 -10.143 11.379 -10.984 1.00 0.00 N ATOM 338 CA LEU A 21 -11.190 10.575 -10.347 1.00 0.00 C ATOM 339 C LEU A 21 -12.189 11.549 -9.753 1.00 0.00 C ATOM 340 O LEU A 21 -13.380 11.343 -9.920 1.00 0.00 O ATOM 341 CB LEU A 21 -10.646 9.658 -9.210 1.00 0.00 C ATOM 342 CG LEU A 21 -10.000 8.329 -9.703 1.00 0.00 C ATOM 343 CD1 LEU A 21 -8.897 8.525 -10.777 1.00 0.00 C ATOM 344 CD2 LEU A 21 -9.388 7.566 -8.495 1.00 0.00 C ATOM 0 H LEU A 21 -9.203 11.235 -10.616 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.631 9.918 -11.096 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.906 10.215 -8.635 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.464 9.419 -8.531 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.803 7.760 -10.171 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.497 7.554 -11.069 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.323 9.019 -11.650 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.096 9.140 -10.367 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.937 6.637 -8.842 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.626 8.185 -8.022 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.172 7.341 -7.772 1.00 0.00 H new ATOM 356 N ALA A 22 -11.675 12.599 -9.071 1.00 0.00 N ATOM 357 CA ALA A 22 -12.474 13.633 -8.419 1.00 0.00 C ATOM 358 C ALA A 22 -12.336 13.412 -6.928 1.00 0.00 C ATOM 359 O ALA A 22 -11.385 13.937 -6.369 1.00 0.00 O ATOM 360 CB ALA A 22 -13.909 13.908 -8.952 1.00 0.00 C ATOM 0 H ALA A 22 -10.671 12.743 -8.963 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.066 14.604 -8.700 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.370 14.701 -8.364 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.857 14.215 -9.997 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.508 13.001 -8.870 1.00 0.00 H new ATOM 366 N LEU A 23 -13.246 12.649 -6.278 1.00 0.00 N ATOM 367 CA LEU A 23 -13.227 12.490 -4.817 1.00 0.00 C ATOM 368 C LEU A 23 -13.372 13.837 -4.128 1.00 0.00 C ATOM 369 O LEU A 23 -13.053 14.829 -4.763 1.00 0.00 O ATOM 370 CB LEU A 23 -11.948 11.731 -4.355 1.00 0.00 C ATOM 371 CG LEU A 23 -11.642 10.428 -5.156 1.00 0.00 C ATOM 372 CD1 LEU A 23 -10.485 9.655 -4.460 1.00 0.00 C ATOM 373 CD2 LEU A 23 -12.869 9.481 -5.282 1.00 0.00 C ATOM 0 H LEU A 23 -13.996 12.139 -6.745 1.00 0.00 H new ATOM 0 HA LEU A 23 -14.083 11.881 -4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.093 12.402 -4.438 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.053 11.477 -3.300 1.00 0.00 H new ATOM 0 HG LEU A 23 -11.365 10.738 -6.164 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.269 8.744 -5.018 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.594 10.282 -4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.780 9.397 -3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -12.587 8.594 -5.850 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -13.203 9.184 -4.288 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -13.678 10.000 -5.796 1.00 0.00 H new ATOM 385 N PRO A 24 -13.835 14.003 -2.860 1.00 0.00 N ATOM 386 CA PRO A 24 -13.850 15.340 -2.282 1.00 0.00 C ATOM 387 C PRO A 24 -12.446 15.885 -2.158 1.00 0.00 C ATOM 388 O PRO A 24 -11.496 15.129 -2.289 1.00 0.00 O ATOM 389 CB PRO A 24 -14.516 15.075 -0.909 1.00 0.00 C ATOM 390 CG PRO A 24 -14.231 13.578 -0.650 1.00 0.00 C ATOM 391 CD PRO A 24 -14.377 12.925 -2.044 1.00 0.00 C ATOM 0 HA PRO A 24 -14.375 16.091 -2.872 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.090 15.705 -0.128 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.586 15.281 -0.936 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -13.232 13.426 -0.240 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -14.936 13.155 0.065 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -13.808 12.000 -2.137 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -15.412 12.689 -2.292 1.00 0.00 H new ATOM 399 N SER A 25 -12.304 17.209 -1.921 1.00 0.00 N ATOM 400 CA SER A 25 -10.972 17.801 -1.851 1.00 0.00 C ATOM 401 C SER A 25 -10.240 17.261 -0.649 1.00 0.00 C ATOM 402 O SER A 25 -9.035 17.096 -0.736 1.00 0.00 O ATOM 403 CB SER A 25 -11.028 19.351 -1.800 1.00 0.00 C ATOM 404 OG SER A 25 -11.825 19.823 -0.701 1.00 0.00 O ATOM 0 H SER A 25 -13.076 17.861 -1.780 1.00 0.00 H new ATOM 0 HA SER A 25 -10.434 17.528 -2.759 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.017 19.748 -1.712 1.00 0.00 H new ATOM 0 HB3 SER A 25 -11.439 19.730 -2.736 1.00 0.00 H new ATOM 0 HG SER A 25 -11.835 20.803 -0.701 1.00 0.00 H new ATOM 410 N ASP A 26 -10.937 16.966 0.474 1.00 0.00 N ATOM 411 CA ASP A 26 -10.241 16.390 1.619 1.00 0.00 C ATOM 412 C ASP A 26 -9.394 15.236 1.140 1.00 0.00 C ATOM 413 O ASP A 26 -8.216 15.216 1.448 1.00 0.00 O ATOM 414 CB ASP A 26 -11.219 15.882 2.712 1.00 0.00 C ATOM 415 CG ASP A 26 -11.990 17.040 3.293 1.00 0.00 C ATOM 416 OD1 ASP A 26 -11.458 17.702 4.225 1.00 0.00 O ATOM 417 OD2 ASP A 26 -13.129 17.299 2.820 1.00 0.00 O ATOM 0 H ASP A 26 -11.938 17.114 0.599 1.00 0.00 H new ATOM 0 HA ASP A 26 -9.628 17.172 2.066 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -11.908 15.153 2.285 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.664 15.372 3.500 1.00 0.00 H new ATOM 422 N ALA A 27 -9.967 14.282 0.372 1.00 0.00 N ATOM 423 CA ALA A 27 -9.189 13.119 -0.063 1.00 0.00 C ATOM 424 C ALA A 27 -7.909 13.542 -0.747 1.00 0.00 C ATOM 425 O ALA A 27 -6.882 12.921 -0.522 1.00 0.00 O ATOM 426 CB ALA A 27 -9.985 12.243 -1.066 1.00 0.00 C ATOM 0 H ALA A 27 -10.936 14.298 0.053 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.967 12.547 0.838 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.377 11.390 -1.367 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.900 11.887 -0.592 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.239 12.836 -1.945 1.00 0.00 H new ATOM 432 N ILE A 28 -7.961 14.599 -1.586 1.00 0.00 N ATOM 433 CA ILE A 28 -6.751 15.057 -2.271 1.00 0.00 C ATOM 434 C ILE A 28 -5.771 15.509 -1.207 1.00 0.00 C ATOM 435 O ILE A 28 -4.616 15.114 -1.247 1.00 0.00 O ATOM 436 CB ILE A 28 -7.084 16.155 -3.332 1.00 0.00 C ATOM 437 CG1 ILE A 28 -7.948 15.535 -4.476 1.00 0.00 C ATOM 438 CG2 ILE A 28 -5.810 16.844 -3.898 1.00 0.00 C ATOM 439 CD1 ILE A 28 -8.500 16.584 -5.476 1.00 0.00 C ATOM 0 H ILE A 28 -8.805 15.132 -1.796 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.291 14.253 -2.845 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.656 16.938 -2.834 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.346 14.808 -5.021 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.783 14.991 -4.035 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.099 17.598 -4.630 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.262 17.320 -3.085 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.175 16.098 -4.376 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.090 16.081 -6.242 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -9.129 17.298 -4.944 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.670 17.111 -5.945 1.00 0.00 H new ATOM 451 N ASP A 29 -6.221 16.336 -0.238 1.00 0.00 N ATOM 452 CA ASP A 29 -5.321 16.795 0.821 1.00 0.00 C ATOM 453 C ASP A 29 -4.828 15.660 1.699 1.00 0.00 C ATOM 454 O ASP A 29 -3.691 15.722 2.138 1.00 0.00 O ATOM 455 CB ASP A 29 -6.003 17.848 1.736 1.00 0.00 C ATOM 456 CG ASP A 29 -6.429 19.051 0.933 1.00 0.00 C ATOM 457 OD1 ASP A 29 -7.515 18.993 0.297 1.00 0.00 O ATOM 458 OD2 ASP A 29 -5.683 20.067 0.930 1.00 0.00 O ATOM 0 H ASP A 29 -7.177 16.687 -0.174 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.472 17.242 0.304 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.870 17.405 2.226 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.314 18.155 2.523 1.00 0.00 H new ATOM 463 N LYS A 30 -5.644 14.622 1.995 1.00 0.00 N ATOM 464 CA LYS A 30 -5.168 13.539 2.856 1.00 0.00 C ATOM 465 C LYS A 30 -4.131 12.736 2.107 1.00 0.00 C ATOM 466 O LYS A 30 -3.126 12.370 2.697 1.00 0.00 O ATOM 467 CB LYS A 30 -6.286 12.568 3.334 1.00 0.00 C ATOM 468 CG LYS A 30 -7.454 13.240 4.116 1.00 0.00 C ATOM 469 CD LYS A 30 -6.985 14.153 5.280 1.00 0.00 C ATOM 470 CE LYS A 30 -8.190 14.675 6.109 1.00 0.00 C ATOM 471 NZ LYS A 30 -7.752 15.550 7.221 1.00 0.00 N ATOM 0 H LYS A 30 -6.602 14.520 1.659 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.759 14.015 3.747 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.698 12.057 2.464 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.836 11.805 3.969 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.051 13.831 3.421 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.106 12.463 4.516 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.307 13.599 5.929 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.424 14.997 4.879 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.868 15.226 5.458 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.749 13.830 6.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.583 15.879 7.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.125 15.016 7.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.240 16.370 6.837 1.00 0.00 H new ATOM 485 N ALA A 31 -4.348 12.449 0.805 1.00 0.00 N ATOM 486 CA ALA A 31 -3.329 11.728 0.045 1.00 0.00 C ATOM 487 C ALA A 31 -2.023 12.485 0.161 1.00 0.00 C ATOM 488 O ALA A 31 -1.001 11.878 0.444 1.00 0.00 O ATOM 489 CB ALA A 31 -3.730 11.576 -1.444 1.00 0.00 C ATOM 0 H ALA A 31 -5.188 12.698 0.283 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.224 10.723 0.454 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.949 11.035 -1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.667 11.023 -1.514 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.857 12.563 -1.889 1.00 0.00 H new ATOM 495 N ARG A 32 -2.052 13.823 -0.036 1.00 0.00 N ATOM 496 CA ARG A 32 -0.840 14.625 0.146 1.00 0.00 C ATOM 497 C ARG A 32 -0.356 14.508 1.568 1.00 0.00 C ATOM 498 O ARG A 32 -1.187 14.279 2.432 1.00 0.00 O ATOM 499 CB ARG A 32 -1.161 16.109 -0.157 1.00 0.00 C ATOM 500 CG ARG A 32 0.030 17.094 -0.042 1.00 0.00 C ATOM 501 CD ARG A 32 -0.321 18.450 -0.720 1.00 0.00 C ATOM 502 NE ARG A 32 -1.508 19.104 -0.161 1.00 0.00 N ATOM 503 CZ ARG A 32 -2.095 20.148 -0.711 1.00 0.00 C ATOM 504 NH1 ARG A 32 -1.633 20.743 -1.789 1.00 0.00 N ATOM 505 NH2 ARG A 32 -3.190 20.621 -0.160 1.00 0.00 N ATOM 0 H ARG A 32 -2.880 14.350 -0.313 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.066 14.263 -0.531 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.566 16.175 -1.167 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.947 16.437 0.523 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.275 17.257 1.007 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.914 16.663 -0.512 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.531 19.123 -0.626 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.479 18.282 -1.785 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.902 18.730 0.702 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.784 20.399 -2.237 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.124 21.549 -2.177 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.570 20.181 0.678 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.660 21.428 -0.570 1.00 0.00 H new ATOM 519 N ASN A 33 0.968 14.648 1.816 1.00 0.00 N ATOM 520 CA ASN A 33 1.521 14.534 3.168 1.00 0.00 C ATOM 521 C ASN A 33 1.728 13.082 3.543 1.00 0.00 C ATOM 522 O ASN A 33 2.820 12.741 3.969 1.00 0.00 O ATOM 523 CB ASN A 33 0.727 15.273 4.280 1.00 0.00 C ATOM 524 CG ASN A 33 0.367 16.668 3.823 1.00 0.00 C ATOM 525 OD1 ASN A 33 1.258 17.500 3.749 1.00 0.00 O ATOM 526 ND2 ASN A 33 -0.913 16.963 3.505 1.00 0.00 N ATOM 0 H ASN A 33 1.663 14.839 1.094 1.00 0.00 H new ATOM 0 HA ASN A 33 2.479 15.051 3.116 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.178 14.716 4.522 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.323 15.323 5.191 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -1.157 17.903 3.193 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.635 16.246 3.577 1.00 0.00 H new ATOM 533 N LEU A 34 0.702 12.208 3.405 1.00 0.00 N ATOM 534 CA LEU A 34 0.872 10.801 3.768 1.00 0.00 C ATOM 535 C LEU A 34 1.727 10.112 2.724 1.00 0.00 C ATOM 536 O LEU A 34 1.750 10.567 1.592 1.00 0.00 O ATOM 537 CB LEU A 34 -0.492 10.073 3.941 1.00 0.00 C ATOM 538 CG LEU A 34 -1.172 10.347 5.320 1.00 0.00 C ATOM 539 CD1 LEU A 34 -1.306 11.860 5.655 1.00 0.00 C ATOM 540 CD2 LEU A 34 -2.573 9.674 5.365 1.00 0.00 C ATOM 0 H LEU A 34 -0.224 12.453 3.054 1.00 0.00 H new ATOM 0 HA LEU A 34 1.374 10.755 4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.166 10.386 3.144 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.340 9.000 3.827 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.518 9.915 6.077 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.787 11.976 6.626 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.316 12.316 5.683 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.909 12.350 4.891 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.040 9.870 6.330 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.198 10.081 4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.465 8.598 5.226 1.00 0.00 H new ATOM 552 N LYS A 35 2.432 9.021 3.115 1.00 0.00 N ATOM 553 CA LYS A 35 3.378 8.328 2.239 1.00 0.00 C ATOM 554 C LYS A 35 2.910 6.891 2.267 1.00 0.00 C ATOM 555 O LYS A 35 3.046 6.278 3.315 1.00 0.00 O ATOM 556 CB LYS A 35 4.824 8.373 2.823 1.00 0.00 C ATOM 557 CG LYS A 35 5.669 9.608 2.403 1.00 0.00 C ATOM 558 CD LYS A 35 5.003 10.961 2.764 1.00 0.00 C ATOM 559 CE LYS A 35 5.970 12.156 2.541 1.00 0.00 C ATOM 560 NZ LYS A 35 5.281 13.453 2.735 1.00 0.00 N ATOM 0 H LYS A 35 2.353 8.608 4.044 1.00 0.00 H new ATOM 0 HA LYS A 35 3.407 8.777 1.246 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.760 8.349 3.911 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.351 7.470 2.515 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.645 9.552 2.885 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.842 9.572 1.327 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.108 11.099 2.157 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.682 10.942 3.806 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.809 12.081 3.233 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.383 12.109 1.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.135 13.910 1.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.360 13.292 3.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.863 14.068 3.338 1.00 0.00 H new ATOM 574 N ILE A 36 2.356 6.329 1.171 1.00 0.00 N ATOM 575 CA ILE A 36 1.849 4.964 1.263 1.00 0.00 C ATOM 576 C ILE A 36 3.040 4.045 1.409 1.00 0.00 C ATOM 577 O ILE A 36 4.038 4.291 0.751 1.00 0.00 O ATOM 578 CB ILE A 36 0.978 4.533 0.047 1.00 0.00 C ATOM 579 CG1 ILE A 36 -0.287 5.437 -0.077 1.00 0.00 C ATOM 580 CG2 ILE A 36 0.574 3.040 0.179 1.00 0.00 C ATOM 581 CD1 ILE A 36 -1.180 5.081 -1.297 1.00 0.00 C ATOM 0 H ILE A 36 2.256 6.780 0.261 1.00 0.00 H new ATOM 0 HA ILE A 36 1.185 4.906 2.125 1.00 0.00 H new ATOM 0 HB ILE A 36 1.569 4.655 -0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.878 5.350 0.835 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.025 6.478 -0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.035 2.751 -0.678 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.471 2.422 0.212 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.002 2.898 1.096 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.042 5.748 -1.324 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.604 5.196 -2.215 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.522 4.050 -1.209 1.00 0.00 H new ATOM 593 N ILE A 37 2.941 2.982 2.244 1.00 0.00 N ATOM 594 CA ILE A 37 3.971 1.949 2.261 1.00 0.00 C ATOM 595 C ILE A 37 3.328 0.830 1.481 1.00 0.00 C ATOM 596 O ILE A 37 2.472 0.159 2.035 1.00 0.00 O ATOM 597 CB ILE A 37 4.331 1.529 3.714 1.00 0.00 C ATOM 598 CG1 ILE A 37 4.690 2.757 4.606 1.00 0.00 C ATOM 599 CG2 ILE A 37 5.446 0.444 3.696 1.00 0.00 C ATOM 600 CD1 ILE A 37 5.856 3.634 4.076 1.00 0.00 C ATOM 0 H ILE A 37 2.171 2.831 2.896 1.00 0.00 H new ATOM 0 HA ILE A 37 4.921 2.270 1.833 1.00 0.00 H new ATOM 0 HB ILE A 37 3.449 1.085 4.175 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.803 3.382 4.711 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.948 2.400 5.603 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.691 0.157 4.719 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.094 -0.430 3.148 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.335 0.844 3.209 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.030 4.462 4.764 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.760 3.030 3.999 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.598 4.027 3.093 1.00 0.00 H new ATOM 612 N SER A 38 3.682 0.624 0.191 1.00 0.00 N ATOM 613 CA SER A 38 2.961 -0.382 -0.577 1.00 0.00 C ATOM 614 C SER A 38 3.452 -1.717 -0.100 1.00 0.00 C ATOM 615 O SER A 38 4.540 -1.788 0.450 1.00 0.00 O ATOM 616 CB SER A 38 3.087 -0.239 -2.114 1.00 0.00 C ATOM 617 OG SER A 38 2.324 -1.285 -2.745 1.00 0.00 O ATOM 0 H SER A 38 4.423 1.118 -0.307 1.00 0.00 H new ATOM 0 HA SER A 38 1.892 -0.256 -0.403 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.723 0.738 -2.433 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.133 -0.302 -2.414 1.00 0.00 H new ATOM 0 HG SER A 38 2.397 -1.201 -3.719 1.00 0.00 H new ATOM 623 N GLU A 39 2.644 -2.779 -0.290 1.00 0.00 N ATOM 624 CA GLU A 39 3.035 -4.080 0.233 1.00 0.00 C ATOM 625 C GLU A 39 2.263 -5.150 -0.483 1.00 0.00 C ATOM 626 O GLU A 39 1.094 -4.920 -0.749 1.00 0.00 O ATOM 627 CB GLU A 39 2.758 -4.121 1.758 1.00 0.00 C ATOM 628 CG GLU A 39 2.874 -5.547 2.353 1.00 0.00 C ATOM 629 CD GLU A 39 2.720 -5.477 3.852 1.00 0.00 C ATOM 630 OE1 GLU A 39 3.685 -5.035 4.530 1.00 0.00 O ATOM 631 OE2 GLU A 39 1.632 -5.856 4.364 1.00 0.00 O ATOM 0 H GLU A 39 1.752 -2.755 -0.784 1.00 0.00 H new ATOM 0 HA GLU A 39 4.099 -4.251 0.070 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.461 -3.462 2.268 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.758 -3.732 1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.107 -6.194 1.927 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.839 -5.983 2.095 1.00 0.00 H new ATOM 638 N VAL A 40 2.893 -6.306 -0.798 1.00 0.00 N ATOM 639 CA VAL A 40 2.170 -7.357 -1.506 1.00 0.00 C ATOM 640 C VAL A 40 2.676 -8.684 -1.009 1.00 0.00 C ATOM 641 O VAL A 40 3.732 -8.721 -0.398 1.00 0.00 O ATOM 642 CB VAL A 40 2.332 -7.245 -3.052 1.00 0.00 C ATOM 643 CG1 VAL A 40 2.259 -5.767 -3.528 1.00 0.00 C ATOM 644 CG2 VAL A 40 3.656 -7.881 -3.555 1.00 0.00 C ATOM 0 H VAL A 40 3.866 -6.519 -0.577 1.00 0.00 H new ATOM 0 HA VAL A 40 1.104 -7.255 -1.305 1.00 0.00 H new ATOM 0 HB VAL A 40 1.499 -7.802 -3.481 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.376 -5.727 -4.611 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.294 -5.343 -3.251 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.056 -5.193 -3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.721 -7.777 -4.638 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.502 -7.375 -3.090 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.675 -8.938 -3.290 1.00 0.00 H new ATOM 654 N LYS A 41 1.935 -9.778 -1.286 1.00 0.00 N ATOM 655 CA LYS A 41 2.430 -11.097 -0.912 1.00 0.00 C ATOM 656 C LYS A 41 1.759 -12.129 -1.782 1.00 0.00 C ATOM 657 O LYS A 41 0.546 -12.065 -1.904 1.00 0.00 O ATOM 658 CB LYS A 41 2.143 -11.357 0.590 1.00 0.00 C ATOM 659 CG LYS A 41 2.641 -12.742 1.094 1.00 0.00 C ATOM 660 CD LYS A 41 4.190 -12.887 1.069 1.00 0.00 C ATOM 661 CE LYS A 41 4.647 -14.231 1.699 1.00 0.00 C ATOM 662 NZ LYS A 41 6.120 -14.373 1.660 1.00 0.00 N ATOM 0 H LYS A 41 1.027 -9.767 -1.750 1.00 0.00 H new ATOM 0 HA LYS A 41 3.508 -11.156 -1.062 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.617 -10.574 1.182 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.069 -11.282 0.763 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.285 -12.900 2.112 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.200 -13.525 0.477 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.545 -12.827 0.040 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.643 -12.057 1.612 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.302 -14.286 2.731 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.186 -15.061 1.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.393 -15.281 2.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.446 -14.344 0.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.558 -13.594 2.192 1.00 0.00 H new ATOM 676 N GLN A 42 2.510 -13.071 -2.395 1.00 0.00 N ATOM 677 CA GLN A 42 1.866 -14.075 -3.233 1.00 0.00 C ATOM 678 C GLN A 42 1.313 -15.173 -2.362 1.00 0.00 C ATOM 679 O GLN A 42 1.871 -15.429 -1.307 1.00 0.00 O ATOM 680 CB GLN A 42 2.811 -14.687 -4.299 1.00 0.00 C ATOM 681 CG GLN A 42 3.202 -13.627 -5.363 1.00 0.00 C ATOM 682 CD GLN A 42 4.033 -14.242 -6.462 1.00 0.00 C ATOM 683 OE1 GLN A 42 5.186 -13.867 -6.610 1.00 0.00 O ATOM 684 NE2 GLN A 42 3.478 -15.189 -7.251 1.00 0.00 N ATOM 0 H GLN A 42 3.525 -13.148 -2.323 1.00 0.00 H new ATOM 0 HA GLN A 42 1.068 -13.568 -3.776 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.709 -15.073 -3.817 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.321 -15.532 -4.784 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.301 -13.184 -5.788 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.760 -12.820 -4.889 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.512 -15.478 -7.098 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.026 -15.615 -7.999 1.00 0.00 H new ATOM 693 N ASP A 43 0.215 -15.824 -2.811 1.00 0.00 N ATOM 694 CA ASP A 43 -0.378 -16.919 -2.044 1.00 0.00 C ATOM 695 C ASP A 43 -0.741 -18.033 -2.998 1.00 0.00 C ATOM 696 O ASP A 43 -1.885 -18.454 -3.040 1.00 0.00 O ATOM 697 CB ASP A 43 -1.579 -16.348 -1.244 1.00 0.00 C ATOM 698 CG ASP A 43 -2.247 -17.420 -0.420 1.00 0.00 C ATOM 699 OD1 ASP A 43 -1.608 -17.907 0.550 1.00 0.00 O ATOM 700 OD2 ASP A 43 -3.413 -17.784 -0.736 1.00 0.00 O ATOM 0 H ASP A 43 -0.264 -15.608 -3.685 1.00 0.00 H new ATOM 0 HA ASP A 43 0.312 -17.349 -1.318 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.235 -15.546 -0.591 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.303 -15.911 -1.932 1.00 0.00 H new ATOM 705 N GLY A 44 0.251 -18.526 -3.780 1.00 0.00 N ATOM 706 CA GLY A 44 -0.029 -19.591 -4.740 1.00 0.00 C ATOM 707 C GLY A 44 -0.709 -18.984 -5.940 1.00 0.00 C ATOM 708 O GLY A 44 -1.907 -19.164 -6.094 1.00 0.00 O ATOM 0 H GLY A 44 1.220 -18.207 -3.759 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.896 -20.085 -5.038 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.666 -20.351 -4.288 1.00 0.00 H new ATOM 712 N GLN A 45 0.050 -18.248 -6.786 1.00 0.00 N ATOM 713 CA GLN A 45 -0.547 -17.593 -7.950 1.00 0.00 C ATOM 714 C GLN A 45 -1.757 -16.808 -7.500 1.00 0.00 C ATOM 715 O GLN A 45 -2.829 -16.973 -8.056 1.00 0.00 O ATOM 716 CB GLN A 45 -0.850 -18.639 -9.061 1.00 0.00 C ATOM 717 CG GLN A 45 -1.151 -17.980 -10.436 1.00 0.00 C ATOM 718 CD GLN A 45 -1.439 -19.036 -11.477 1.00 0.00 C ATOM 719 OE1 GLN A 45 -0.585 -19.300 -12.308 1.00 0.00 O ATOM 720 NE2 GLN A 45 -2.638 -19.661 -11.453 1.00 0.00 N ATOM 0 H GLN A 45 1.054 -18.101 -6.680 1.00 0.00 H new ATOM 0 HA GLN A 45 0.148 -16.883 -8.399 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.001 -19.312 -9.163 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.703 -19.247 -8.759 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.005 -17.308 -10.345 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -0.301 -17.374 -10.749 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.328 -19.414 -10.743 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.853 -20.379 -12.145 1.00 0.00 H new ATOM 729 N ASN A 46 -1.587 -15.951 -6.469 1.00 0.00 N ATOM 730 CA ASN A 46 -2.690 -15.139 -5.969 1.00 0.00 C ATOM 731 C ASN A 46 -2.085 -13.956 -5.250 1.00 0.00 C ATOM 732 O ASN A 46 -1.574 -14.141 -4.157 1.00 0.00 O ATOM 733 CB ASN A 46 -3.562 -15.976 -5.010 1.00 0.00 C ATOM 734 CG ASN A 46 -4.602 -15.134 -4.312 1.00 0.00 C ATOM 735 OD1 ASN A 46 -4.796 -13.979 -4.660 1.00 0.00 O ATOM 736 ND2 ASN A 46 -5.290 -15.707 -3.304 1.00 0.00 N ATOM 0 H ASN A 46 -0.703 -15.813 -5.980 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.329 -14.798 -6.784 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.055 -16.771 -5.569 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.925 -16.456 -4.267 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.001 -15.173 -2.803 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.100 -16.674 -3.042 1.00 0.00 H new ATOM 743 N PHE A 47 -2.097 -12.749 -5.858 1.00 0.00 N ATOM 744 CA PHE A 47 -1.306 -11.655 -5.312 1.00 0.00 C ATOM 745 C PHE A 47 -2.148 -10.939 -4.284 1.00 0.00 C ATOM 746 O PHE A 47 -2.976 -10.124 -4.658 1.00 0.00 O ATOM 747 CB PHE A 47 -0.830 -10.665 -6.414 1.00 0.00 C ATOM 748 CG PHE A 47 0.193 -11.215 -7.431 1.00 0.00 C ATOM 749 CD1 PHE A 47 0.382 -12.582 -7.674 1.00 0.00 C ATOM 750 CD2 PHE A 47 0.971 -10.298 -8.151 1.00 0.00 C ATOM 751 CE1 PHE A 47 1.284 -13.017 -8.648 1.00 0.00 C ATOM 752 CE2 PHE A 47 1.907 -10.729 -9.096 1.00 0.00 C ATOM 753 CZ PHE A 47 2.043 -12.093 -9.366 1.00 0.00 C ATOM 0 H PHE A 47 -2.630 -12.524 -6.698 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.404 -12.063 -4.856 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.705 -10.317 -6.963 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.393 -9.794 -5.926 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.176 -13.308 -7.101 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.845 -9.240 -7.973 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.394 -14.073 -8.846 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.523 -10.010 -9.616 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.732 -12.430 -10.126 1.00 0.00 H new ATOM 763 N THR A 48 -1.931 -11.227 -2.979 1.00 0.00 N ATOM 764 CA THR A 48 -2.584 -10.440 -1.939 1.00 0.00 C ATOM 765 C THR A 48 -1.910 -9.087 -1.979 1.00 0.00 C ATOM 766 O THR A 48 -0.870 -8.933 -1.360 1.00 0.00 O ATOM 767 CB THR A 48 -2.463 -11.122 -0.550 1.00 0.00 C ATOM 768 OG1 THR A 48 -3.185 -12.369 -0.536 1.00 0.00 O ATOM 769 CG2 THR A 48 -3.067 -10.227 0.564 1.00 0.00 C ATOM 0 H THR A 48 -1.327 -11.976 -2.641 1.00 0.00 H new ATOM 0 HA THR A 48 -3.656 -10.347 -2.111 1.00 0.00 H new ATOM 0 HB THR A 48 -1.401 -11.287 -0.367 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.098 -12.788 0.346 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.969 -10.729 1.527 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.536 -9.276 0.595 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.121 -10.047 0.354 1.00 0.00 H new ATOM 777 N TRP A 49 -2.480 -8.108 -2.718 1.00 0.00 N ATOM 778 CA TRP A 49 -1.843 -6.801 -2.862 1.00 0.00 C ATOM 779 C TRP A 49 -2.327 -5.884 -1.768 1.00 0.00 C ATOM 780 O TRP A 49 -3.426 -6.105 -1.285 1.00 0.00 O ATOM 781 CB TRP A 49 -2.227 -6.208 -4.242 1.00 0.00 C ATOM 782 CG TRP A 49 -1.378 -5.037 -4.634 1.00 0.00 C ATOM 783 CD1 TRP A 49 -1.454 -3.754 -4.244 1.00 0.00 C ATOM 784 CD2 TRP A 49 -0.234 -5.138 -5.605 1.00 0.00 C ATOM 785 NE1 TRP A 49 -0.504 -3.069 -4.831 1.00 0.00 N ATOM 786 CE2 TRP A 49 0.244 -3.844 -5.641 1.00 0.00 C ATOM 787 CE3 TRP A 49 0.312 -6.177 -6.350 1.00 0.00 C ATOM 788 CZ2 TRP A 49 1.344 -3.507 -6.431 1.00 0.00 C ATOM 789 CZ3 TRP A 49 1.386 -5.840 -7.179 1.00 0.00 C ATOM 790 CH2 TRP A 49 1.919 -4.540 -7.184 1.00 0.00 C ATOM 0 H TRP A 49 -3.367 -8.206 -3.213 1.00 0.00 H new ATOM 0 HA TRP A 49 -0.760 -6.905 -2.791 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -2.138 -6.984 -5.002 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -3.273 -5.901 -4.221 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -2.182 -3.351 -3.556 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -0.349 -2.070 -4.692 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -0.071 -7.185 -6.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 1.733 -2.500 -6.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 1.813 -6.591 -7.826 1.00 0.00 H new ATOM 0 HH2 TRP A 49 2.793 -4.332 -7.783 1.00 0.00 H new ATOM 801 N SER A 50 -1.539 -4.855 -1.377 1.00 0.00 N ATOM 802 CA SER A 50 -2.016 -3.903 -0.377 1.00 0.00 C ATOM 803 C SER A 50 -1.400 -2.534 -0.542 1.00 0.00 C ATOM 804 O SER A 50 -0.341 -2.429 -1.141 1.00 0.00 O ATOM 805 CB SER A 50 -1.760 -4.430 1.056 1.00 0.00 C ATOM 806 OG SER A 50 -2.451 -5.677 1.237 1.00 0.00 O ATOM 0 H SER A 50 -0.600 -4.675 -1.733 1.00 0.00 H new ATOM 0 HA SER A 50 -3.090 -3.801 -0.534 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.691 -4.567 1.219 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.104 -3.701 1.790 1.00 0.00 H new ATOM 0 HG SER A 50 -2.288 -6.013 2.143 1.00 0.00 H new ATOM 812 N GLN A 51 -2.078 -1.490 -0.005 1.00 0.00 N ATOM 813 CA GLN A 51 -1.585 -0.118 -0.111 1.00 0.00 C ATOM 814 C GLN A 51 -1.741 0.484 1.266 1.00 0.00 C ATOM 815 O GLN A 51 -2.780 1.060 1.550 1.00 0.00 O ATOM 816 CB GLN A 51 -2.403 0.610 -1.210 1.00 0.00 C ATOM 817 CG GLN A 51 -2.167 -0.041 -2.600 1.00 0.00 C ATOM 818 CD GLN A 51 -2.649 0.867 -3.706 1.00 0.00 C ATOM 819 OE1 GLN A 51 -1.827 1.440 -4.404 1.00 0.00 O ATOM 820 NE2 GLN A 51 -3.977 1.025 -3.887 1.00 0.00 N ATOM 0 H GLN A 51 -2.960 -1.583 0.500 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.539 -0.041 -0.409 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.464 0.574 -0.963 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.119 1.662 -1.244 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.106 -0.251 -2.733 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.690 -0.996 -2.653 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.636 0.531 -3.285 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.322 1.639 -4.625 1.00 0.00 H new ATOM 829 N GLN A 52 -0.723 0.322 2.145 1.00 0.00 N ATOM 830 CA GLN A 52 -0.912 0.663 3.551 1.00 0.00 C ATOM 831 C GLN A 52 -0.715 2.144 3.763 1.00 0.00 C ATOM 832 O GLN A 52 0.419 2.579 3.886 1.00 0.00 O ATOM 833 CB GLN A 52 0.037 -0.138 4.484 1.00 0.00 C ATOM 834 CG GLN A 52 -0.234 -1.666 4.414 1.00 0.00 C ATOM 835 CD GLN A 52 0.752 -2.415 5.280 1.00 0.00 C ATOM 836 OE1 GLN A 52 0.367 -2.929 6.319 1.00 0.00 O ATOM 837 NE2 GLN A 52 2.040 -2.487 4.876 1.00 0.00 N ATOM 0 H GLN A 52 0.203 -0.031 1.905 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.935 0.391 3.812 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.072 0.060 4.205 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.088 0.206 5.511 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.251 -1.877 4.744 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.156 -2.009 3.382 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.326 -2.046 4.002 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.726 -2.983 5.445 1.00 0.00 H new ATOM 846 N TYR A 53 -1.811 2.935 3.837 1.00 0.00 N ATOM 847 CA TYR A 53 -1.671 4.323 4.263 1.00 0.00 C ATOM 848 C TYR A 53 -1.160 4.274 5.692 1.00 0.00 C ATOM 849 O TYR A 53 -1.592 3.364 6.382 1.00 0.00 O ATOM 850 CB TYR A 53 -3.014 5.100 4.209 1.00 0.00 C ATOM 851 CG TYR A 53 -3.433 5.350 2.750 1.00 0.00 C ATOM 852 CD1 TYR A 53 -4.199 4.412 2.045 1.00 0.00 C ATOM 853 CD2 TYR A 53 -3.047 6.531 2.106 1.00 0.00 C ATOM 854 CE1 TYR A 53 -4.510 4.625 0.699 1.00 0.00 C ATOM 855 CE2 TYR A 53 -3.420 6.775 0.780 1.00 0.00 C ATOM 856 CZ TYR A 53 -4.159 5.821 0.070 1.00 0.00 C ATOM 857 OH TYR A 53 -4.551 6.036 -1.256 1.00 0.00 O ATOM 0 H TYR A 53 -2.762 2.640 3.614 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.991 4.850 3.594 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.790 4.534 4.724 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.912 6.051 4.732 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.551 3.521 2.544 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.455 7.261 2.638 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.026 3.858 0.141 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.137 7.702 0.303 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.233 6.914 -1.553 1.00 0.00 H new ATOM 867 N PRO A 54 -0.271 5.165 6.202 1.00 0.00 N ATOM 868 CA PRO A 54 0.187 5.035 7.580 1.00 0.00 C ATOM 869 C PRO A 54 -0.891 4.844 8.619 1.00 0.00 C ATOM 870 O PRO A 54 -0.679 4.075 9.544 1.00 0.00 O ATOM 871 CB PRO A 54 0.859 6.416 7.775 1.00 0.00 C ATOM 872 CG PRO A 54 1.398 6.755 6.370 1.00 0.00 C ATOM 873 CD PRO A 54 0.273 6.270 5.425 1.00 0.00 C ATOM 0 HA PRO A 54 0.804 4.147 7.716 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.146 7.164 8.123 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.660 6.372 8.513 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.583 7.823 6.258 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.340 6.245 6.168 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -0.469 7.045 5.232 1.00 0.00 H new ATOM 0 HD3 PRO A 54 0.656 5.947 4.457 1.00 0.00 H new ATOM 881 N GLY A 55 -2.040 5.549 8.497 1.00 0.00 N ATOM 882 CA GLY A 55 -3.045 5.498 9.556 1.00 0.00 C ATOM 883 C GLY A 55 -3.734 4.159 9.633 1.00 0.00 C ATOM 884 O GLY A 55 -3.326 3.234 8.947 1.00 0.00 O ATOM 0 H GLY A 55 -2.279 6.138 7.699 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.571 5.715 10.513 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.789 6.276 9.385 1.00 0.00 H new ATOM 888 N GLY A 56 -4.790 4.051 10.473 1.00 0.00 N ATOM 889 CA GLY A 56 -5.530 2.796 10.566 1.00 0.00 C ATOM 890 C GLY A 56 -5.979 2.329 9.203 1.00 0.00 C ATOM 891 O GLY A 56 -6.033 1.128 8.987 1.00 0.00 O ATOM 0 H GLY A 56 -5.132 4.800 11.075 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.902 2.033 11.027 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.397 2.929 11.213 1.00 0.00 H new ATOM 895 N HIS A 57 -6.309 3.256 8.272 1.00 0.00 N ATOM 896 CA HIS A 57 -6.706 2.826 6.934 1.00 0.00 C ATOM 897 C HIS A 57 -5.627 1.956 6.332 1.00 0.00 C ATOM 898 O HIS A 57 -4.464 2.144 6.650 1.00 0.00 O ATOM 899 CB HIS A 57 -6.934 4.001 5.951 1.00 0.00 C ATOM 900 CG HIS A 57 -8.068 4.882 6.405 1.00 0.00 C ATOM 901 ND1 HIS A 57 -9.337 4.547 6.310 1.00 0.00 N ATOM 902 CD2 HIS A 57 -7.937 6.104 6.958 1.00 0.00 C ATOM 903 CE1 HIS A 57 -10.073 5.507 6.775 1.00 0.00 C ATOM 904 NE2 HIS A 57 -9.320 6.433 7.166 1.00 0.00 N ATOM 0 H HIS A 57 -6.306 4.265 8.424 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.646 2.291 7.065 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.022 4.592 5.869 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.150 3.610 4.957 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -7.047 6.673 7.181 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -11.152 5.510 6.819 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -9.648 7.306 7.578 1.00 0.00 H new ATOM 913 N SER A 58 -6.017 1.009 5.452 1.00 0.00 N ATOM 914 CA SER A 58 -5.041 0.114 4.837 1.00 0.00 C ATOM 915 C SER A 58 -5.744 -0.649 3.736 1.00 0.00 C ATOM 916 O SER A 58 -6.361 -1.662 4.027 1.00 0.00 O ATOM 917 CB SER A 58 -4.428 -0.864 5.877 1.00 0.00 C ATOM 918 OG SER A 58 -5.444 -1.598 6.581 1.00 0.00 O ATOM 0 H SER A 58 -6.983 0.854 5.162 1.00 0.00 H new ATOM 0 HA SER A 58 -4.214 0.697 4.431 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.760 -1.561 5.371 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.823 -0.304 6.590 1.00 0.00 H new ATOM 0 HG SER A 58 -6.135 -1.887 5.950 1.00 0.00 H new ATOM 924 N ILE A 59 -5.690 -0.168 2.473 1.00 0.00 N ATOM 925 CA ILE A 59 -6.494 -0.804 1.431 1.00 0.00 C ATOM 926 C ILE A 59 -5.895 -2.152 1.114 1.00 0.00 C ATOM 927 O ILE A 59 -4.682 -2.277 1.176 1.00 0.00 O ATOM 928 CB ILE A 59 -6.671 0.080 0.152 1.00 0.00 C ATOM 929 CG1 ILE A 59 -7.875 1.062 0.297 1.00 0.00 C ATOM 930 CG2 ILE A 59 -6.838 -0.775 -1.139 1.00 0.00 C ATOM 931 CD1 ILE A 59 -7.712 2.073 1.462 1.00 0.00 C ATOM 0 H ILE A 59 -5.122 0.623 2.169 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.507 -0.933 1.813 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.754 0.661 0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.000 1.612 -0.636 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.787 0.486 0.452 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.957 -0.116 -1.999 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.955 -1.398 -1.279 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.719 -1.410 -1.043 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -8.585 2.724 1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.618 1.531 2.403 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.818 2.675 1.299 1.00 0.00 H new ATOM 943 N THR A 60 -6.744 -3.150 0.759 1.00 0.00 N ATOM 944 CA THR A 60 -6.253 -4.438 0.275 1.00 0.00 C ATOM 945 C THR A 60 -6.882 -4.659 -1.084 1.00 0.00 C ATOM 946 O THR A 60 -8.039 -4.299 -1.234 1.00 0.00 O ATOM 947 CB THR A 60 -6.637 -5.569 1.267 1.00 0.00 C ATOM 948 OG1 THR A 60 -6.077 -5.300 2.566 1.00 0.00 O ATOM 949 CG2 THR A 60 -6.099 -6.947 0.802 1.00 0.00 C ATOM 0 H THR A 60 -7.760 -3.076 0.803 1.00 0.00 H new ATOM 0 HA THR A 60 -5.166 -4.446 0.196 1.00 0.00 H new ATOM 0 HB THR A 60 -7.726 -5.598 1.308 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.326 -6.018 3.185 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.388 -7.712 1.522 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.518 -7.191 -0.174 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.012 -6.908 0.731 1.00 0.00 H new ATOM 957 N ASN A 61 -6.157 -5.238 -2.070 1.00 0.00 N ATOM 958 CA ASN A 61 -6.752 -5.513 -3.378 1.00 0.00 C ATOM 959 C ASN A 61 -6.330 -6.909 -3.764 1.00 0.00 C ATOM 960 O ASN A 61 -5.482 -7.078 -4.624 1.00 0.00 O ATOM 961 CB ASN A 61 -6.303 -4.456 -4.423 1.00 0.00 C ATOM 962 CG ASN A 61 -6.788 -3.068 -4.079 1.00 0.00 C ATOM 963 OD1 ASN A 61 -5.973 -2.225 -3.741 1.00 0.00 O ATOM 964 ND2 ASN A 61 -8.110 -2.798 -4.165 1.00 0.00 N ATOM 0 H ASN A 61 -5.180 -5.515 -1.978 1.00 0.00 H new ATOM 0 HA ASN A 61 -7.839 -5.450 -3.339 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.215 -4.452 -4.488 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.681 -4.737 -5.406 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -8.455 -1.864 -3.944 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -8.762 -3.528 -4.451 1.00 0.00 H new ATOM 971 N THR A 62 -6.922 -7.937 -3.117 1.00 0.00 N ATOM 972 CA THR A 62 -6.522 -9.302 -3.436 1.00 0.00 C ATOM 973 C THR A 62 -6.879 -9.578 -4.874 1.00 0.00 C ATOM 974 O THR A 62 -8.017 -9.325 -5.233 1.00 0.00 O ATOM 975 CB THR A 62 -7.150 -10.348 -2.478 1.00 0.00 C ATOM 976 OG1 THR A 62 -6.738 -9.997 -1.144 1.00 0.00 O ATOM 977 CG2 THR A 62 -6.691 -11.790 -2.833 1.00 0.00 C ATOM 0 H THR A 62 -7.645 -7.845 -2.404 1.00 0.00 H new ATOM 0 HA THR A 62 -5.445 -9.395 -3.298 1.00 0.00 H new ATOM 0 HB THR A 62 -8.236 -10.337 -2.567 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.118 -10.636 -0.506 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.149 -12.498 -2.143 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.995 -12.028 -3.852 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.606 -11.856 -2.754 1.00 0.00 H new ATOM 985 N PHE A 63 -5.935 -10.087 -5.704 1.00 0.00 N ATOM 986 CA PHE A 63 -6.274 -10.391 -7.091 1.00 0.00 C ATOM 987 C PHE A 63 -5.454 -11.567 -7.562 1.00 0.00 C ATOM 988 O PHE A 63 -4.518 -11.939 -6.872 1.00 0.00 O ATOM 989 CB PHE A 63 -6.177 -9.122 -7.981 1.00 0.00 C ATOM 990 CG PHE A 63 -4.747 -8.579 -8.158 1.00 0.00 C ATOM 991 CD1 PHE A 63 -3.793 -9.311 -8.877 1.00 0.00 C ATOM 992 CD2 PHE A 63 -4.381 -7.338 -7.626 1.00 0.00 C ATOM 993 CE1 PHE A 63 -2.499 -8.813 -9.061 1.00 0.00 C ATOM 994 CE2 PHE A 63 -3.086 -6.840 -7.797 1.00 0.00 C ATOM 995 CZ PHE A 63 -2.144 -7.573 -8.521 1.00 0.00 C ATOM 0 H PHE A 63 -4.970 -10.285 -5.438 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.317 -10.697 -7.172 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.591 -9.349 -8.963 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.799 -8.339 -7.546 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.060 -10.271 -9.294 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.108 -6.758 -7.077 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -1.774 -9.386 -9.620 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.814 -5.887 -7.368 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.146 -7.184 -8.663 1.00 0.00 H new ATOM 1005 N THR A 64 -5.823 -12.159 -8.722 1.00 0.00 N ATOM 1006 CA THR A 64 -5.208 -13.406 -9.175 1.00 0.00 C ATOM 1007 C THR A 64 -4.662 -13.274 -10.575 1.00 0.00 C ATOM 1008 O THR A 64 -5.273 -12.572 -11.363 1.00 0.00 O ATOM 1009 CB THR A 64 -6.307 -14.499 -9.108 1.00 0.00 C ATOM 1010 OG1 THR A 64 -6.821 -14.503 -7.764 1.00 0.00 O ATOM 1011 CG2 THR A 64 -5.788 -15.907 -9.493 1.00 0.00 C ATOM 0 H THR A 64 -6.538 -11.789 -9.349 1.00 0.00 H new ATOM 0 HA THR A 64 -4.361 -13.666 -8.540 1.00 0.00 H new ATOM 0 HB THR A 64 -7.084 -14.264 -9.835 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.522 -15.183 -7.684 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.604 -16.626 -9.426 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.404 -15.887 -10.513 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.990 -16.200 -8.811 1.00 0.00 H new ATOM 1019 N ILE A 65 -3.527 -13.940 -10.905 1.00 0.00 N ATOM 1020 CA ILE A 65 -3.015 -13.880 -12.270 1.00 0.00 C ATOM 1021 C ILE A 65 -3.897 -14.737 -13.151 1.00 0.00 C ATOM 1022 O ILE A 65 -3.677 -15.938 -13.178 1.00 0.00 O ATOM 1023 CB ILE A 65 -1.521 -14.321 -12.377 1.00 0.00 C ATOM 1024 CG1 ILE A 65 -0.580 -13.503 -11.436 1.00 0.00 C ATOM 1025 CG2 ILE A 65 -1.042 -14.261 -13.858 1.00 0.00 C ATOM 1026 CD1 ILE A 65 -0.769 -11.964 -11.503 1.00 0.00 C ATOM 0 H ILE A 65 -2.974 -14.503 -10.259 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.042 -12.842 -12.602 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.464 -15.354 -12.035 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.743 -13.830 -10.409 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.454 -13.739 -11.686 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.001 -14.571 -13.916 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.653 -14.928 -14.465 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.138 -13.241 -14.231 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.073 -11.482 -10.816 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.575 -11.618 -12.518 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.791 -11.710 -11.222 1.00 0.00 H new ATOM 1038 N GLY A 66 -4.877 -14.153 -13.887 1.00 0.00 N ATOM 1039 CA GLY A 66 -5.596 -14.923 -14.901 1.00 0.00 C ATOM 1040 C GLY A 66 -7.052 -14.537 -15.008 1.00 0.00 C ATOM 1041 O GLY A 66 -7.497 -14.167 -16.083 1.00 0.00 O ATOM 0 H GLY A 66 -5.172 -13.181 -13.793 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.115 -14.779 -15.868 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.523 -15.984 -14.664 1.00 0.00 H new ATOM 1045 N LYS A 67 -7.815 -14.655 -13.898 1.00 0.00 N ATOM 1046 CA LYS A 67 -9.270 -14.501 -13.986 1.00 0.00 C ATOM 1047 C LYS A 67 -9.657 -13.075 -14.293 1.00 0.00 C ATOM 1048 O LYS A 67 -8.828 -12.192 -14.130 1.00 0.00 O ATOM 1049 CB LYS A 67 -9.981 -14.974 -12.683 1.00 0.00 C ATOM 1050 CG LYS A 67 -9.825 -13.957 -11.519 1.00 0.00 C ATOM 1051 CD LYS A 67 -10.295 -14.552 -10.163 1.00 0.00 C ATOM 1052 CE LYS A 67 -10.226 -13.509 -9.014 1.00 0.00 C ATOM 1053 NZ LYS A 67 -10.668 -14.091 -7.726 1.00 0.00 N ATOM 0 H LYS A 67 -7.456 -14.850 -12.964 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.602 -15.136 -14.807 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.041 -15.129 -12.887 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.571 -15.937 -12.378 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.781 -13.653 -11.440 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.402 -13.060 -11.741 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.318 -14.915 -10.262 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.674 -15.412 -9.910 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.205 -13.140 -8.917 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.852 -12.652 -9.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.610 -13.368 -6.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.651 -14.420 -7.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.054 -14.894 -7.479 1.00 0.00 H new ATOM 1067 N GLU A 68 -10.921 -12.833 -14.717 1.00 0.00 N ATOM 1068 CA GLU A 68 -11.390 -11.458 -14.852 1.00 0.00 C ATOM 1069 C GLU A 68 -11.563 -10.978 -13.430 1.00 0.00 C ATOM 1070 O GLU A 68 -12.565 -11.313 -12.818 1.00 0.00 O ATOM 1071 CB GLU A 68 -12.710 -11.350 -15.665 1.00 0.00 C ATOM 1072 CG GLU A 68 -13.152 -9.871 -15.835 1.00 0.00 C ATOM 1073 CD GLU A 68 -14.463 -9.791 -16.575 1.00 0.00 C ATOM 1074 OE1 GLU A 68 -14.541 -10.334 -17.710 1.00 0.00 O ATOM 1075 OE2 GLU A 68 -15.429 -9.186 -16.033 1.00 0.00 O ATOM 0 H GLU A 68 -11.603 -13.552 -14.960 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.683 -10.847 -15.414 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.573 -11.805 -16.646 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.497 -11.911 -15.160 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.251 -9.401 -14.857 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.387 -9.317 -16.379 1.00 0.00 H new ATOM 1082 N CYS A 69 -10.586 -10.225 -12.873 1.00 0.00 N ATOM 1083 CA CYS A 69 -10.637 -9.899 -11.450 1.00 0.00 C ATOM 1084 C CYS A 69 -11.586 -8.759 -11.195 1.00 0.00 C ATOM 1085 O CYS A 69 -11.821 -7.982 -12.106 1.00 0.00 O ATOM 1086 CB CYS A 69 -9.237 -9.528 -10.900 1.00 0.00 C ATOM 1087 SG CYS A 69 -8.080 -10.854 -11.356 1.00 0.00 S ATOM 0 H CYS A 69 -9.783 -9.848 -13.376 1.00 0.00 H new ATOM 0 HA CYS A 69 -10.992 -10.790 -10.932 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -8.906 -8.575 -11.314 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -9.273 -9.410 -9.817 1.00 0.00 H new ATOM 0 HG CYS A 69 -8.423 -11.352 -12.507 1.00 0.00 H new ATOM 1092 N ASP A 70 -12.117 -8.656 -9.956 1.00 0.00 N ATOM 1093 CA ASP A 70 -12.943 -7.510 -9.580 1.00 0.00 C ATOM 1094 C ASP A 70 -12.087 -6.639 -8.691 1.00 0.00 C ATOM 1095 O ASP A 70 -11.361 -7.198 -7.882 1.00 0.00 O ATOM 1096 CB ASP A 70 -14.219 -7.948 -8.815 1.00 0.00 C ATOM 1097 CG ASP A 70 -13.892 -8.679 -7.537 1.00 0.00 C ATOM 1098 OD1 ASP A 70 -13.120 -9.674 -7.604 1.00 0.00 O ATOM 1099 OD2 ASP A 70 -14.400 -8.270 -6.457 1.00 0.00 O ATOM 0 H ASP A 70 -11.985 -9.346 -9.217 1.00 0.00 H new ATOM 0 HA ASP A 70 -13.277 -6.980 -10.472 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.823 -7.070 -8.585 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.822 -8.591 -9.456 1.00 0.00 H new ATOM 1104 N ILE A 71 -12.147 -5.295 -8.831 1.00 0.00 N ATOM 1105 CA ILE A 71 -11.294 -4.411 -8.034 1.00 0.00 C ATOM 1106 C ILE A 71 -12.165 -3.320 -7.465 1.00 0.00 C ATOM 1107 O ILE A 71 -13.210 -3.054 -8.034 1.00 0.00 O ATOM 1108 CB ILE A 71 -10.106 -3.915 -8.911 1.00 0.00 C ATOM 1109 CG1 ILE A 71 -9.265 -5.161 -9.329 1.00 0.00 C ATOM 1110 CG2 ILE A 71 -9.250 -2.839 -8.184 1.00 0.00 C ATOM 1111 CD1 ILE A 71 -7.970 -4.825 -10.106 1.00 0.00 C ATOM 0 H ILE A 71 -12.770 -4.814 -9.480 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.833 -4.920 -7.187 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.488 -3.418 -9.803 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -9.002 -5.724 -8.433 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.885 -5.813 -9.944 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -8.434 -2.523 -8.834 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -9.875 -1.979 -7.942 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -8.841 -3.259 -7.265 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -7.447 -5.748 -10.357 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.223 -4.291 -11.022 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.326 -4.200 -9.487 1.00 0.00 H new ATOM 1123 N GLU A 72 -11.777 -2.710 -6.323 1.00 0.00 N ATOM 1124 CA GLU A 72 -12.706 -1.836 -5.613 1.00 0.00 C ATOM 1125 C GLU A 72 -11.978 -0.894 -4.694 1.00 0.00 C ATOM 1126 O GLU A 72 -10.762 -0.966 -4.624 1.00 0.00 O ATOM 1127 CB GLU A 72 -13.786 -2.719 -4.918 1.00 0.00 C ATOM 1128 CG GLU A 72 -13.188 -3.698 -3.873 1.00 0.00 C ATOM 1129 CD GLU A 72 -12.314 -4.744 -4.519 1.00 0.00 C ATOM 1130 OE1 GLU A 72 -12.867 -5.629 -5.229 1.00 0.00 O ATOM 1131 OE2 GLU A 72 -11.068 -4.688 -4.329 1.00 0.00 O ATOM 0 H GLU A 72 -10.857 -2.808 -5.893 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.227 -1.179 -6.309 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.515 -2.073 -4.428 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.324 -3.289 -5.676 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.604 -3.138 -3.143 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.996 -4.186 -3.328 1.00 0.00 H new ATOM 1138 N THR A 73 -12.738 0.009 -4.031 1.00 0.00 N ATOM 1139 CA THR A 73 -12.142 1.018 -3.158 1.00 0.00 C ATOM 1140 C THR A 73 -11.142 1.846 -3.933 1.00 0.00 C ATOM 1141 O THR A 73 -11.063 1.686 -5.141 1.00 0.00 O ATOM 1142 CB THR A 73 -11.717 0.459 -1.768 1.00 0.00 C ATOM 1143 OG1 THR A 73 -11.324 1.580 -0.953 1.00 0.00 O ATOM 1144 CG2 THR A 73 -10.581 -0.595 -1.805 1.00 0.00 C ATOM 0 H THR A 73 -13.755 0.051 -4.090 1.00 0.00 H new ATOM 0 HA THR A 73 -12.898 1.739 -2.846 1.00 0.00 H new ATOM 0 HB THR A 73 -12.574 -0.076 -1.358 1.00 0.00 H new ATOM 0 HG1 THR A 73 -11.051 1.261 -0.067 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.356 -0.923 -0.790 1.00 0.00 H new ATOM 0 HG22 THR A 73 -10.898 -1.451 -2.402 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.689 -0.153 -2.249 1.00 0.00 H new ATOM 1152 N ILE A 74 -10.418 2.768 -3.263 1.00 0.00 N ATOM 1153 CA ILE A 74 -9.590 3.755 -3.962 1.00 0.00 C ATOM 1154 C ILE A 74 -10.511 4.661 -4.756 1.00 0.00 C ATOM 1155 O ILE A 74 -10.779 5.760 -4.296 1.00 0.00 O ATOM 1156 CB ILE A 74 -8.400 3.133 -4.757 1.00 0.00 C ATOM 1157 CG1 ILE A 74 -7.467 2.293 -3.831 1.00 0.00 C ATOM 1158 CG2 ILE A 74 -7.625 4.213 -5.563 1.00 0.00 C ATOM 1159 CD1 ILE A 74 -6.628 3.098 -2.797 1.00 0.00 C ATOM 0 H ILE A 74 -10.395 2.844 -2.246 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.057 4.372 -3.239 1.00 0.00 H new ATOM 0 HB ILE A 74 -8.817 2.440 -5.487 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.079 1.572 -3.290 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.783 1.723 -4.459 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.803 3.743 -6.104 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -8.300 4.692 -6.272 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -7.227 4.962 -4.878 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.018 2.411 -2.210 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.980 3.800 -3.322 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.297 3.647 -2.134 1.00 0.00 H new ATOM 1171 N GLY A 75 -11.027 4.243 -5.934 1.00 0.00 N ATOM 1172 CA GLY A 75 -11.998 5.075 -6.640 1.00 0.00 C ATOM 1173 C GLY A 75 -13.359 5.008 -5.993 1.00 0.00 C ATOM 1174 O GLY A 75 -14.097 5.974 -6.106 1.00 0.00 O ATOM 0 H GLY A 75 -10.791 3.364 -6.394 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.651 6.108 -6.654 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.071 4.749 -7.678 1.00 0.00 H new ATOM 1178 N GLY A 76 -13.721 3.881 -5.333 1.00 0.00 N ATOM 1179 CA GLY A 76 -15.051 3.749 -4.746 1.00 0.00 C ATOM 1180 C GLY A 76 -15.881 2.959 -5.725 1.00 0.00 C ATOM 1181 O GLY A 76 -16.279 1.847 -5.414 1.00 0.00 O ATOM 0 H GLY A 76 -13.114 3.072 -5.202 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -15.000 3.240 -3.783 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -15.493 4.729 -4.566 1.00 0.00 H new ATOM 1185 N LYS A 77 -16.127 3.524 -6.930 1.00 0.00 N ATOM 1186 CA LYS A 77 -16.851 2.775 -7.954 1.00 0.00 C ATOM 1187 C LYS A 77 -16.097 1.490 -8.211 1.00 0.00 C ATOM 1188 O LYS A 77 -14.938 1.580 -8.582 1.00 0.00 O ATOM 1189 CB LYS A 77 -16.963 3.596 -9.271 1.00 0.00 C ATOM 1190 CG LYS A 77 -17.618 2.774 -10.411 1.00 0.00 C ATOM 1191 CD LYS A 77 -17.883 3.638 -11.673 1.00 0.00 C ATOM 1192 CE LYS A 77 -18.476 2.780 -12.823 1.00 0.00 C ATOM 1193 NZ LYS A 77 -18.791 3.608 -14.012 1.00 0.00 N ATOM 0 H LYS A 77 -15.841 4.465 -7.201 1.00 0.00 H new ATOM 0 HA LYS A 77 -17.863 2.566 -7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -17.550 4.496 -9.089 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -15.970 3.921 -9.582 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -16.970 1.938 -10.674 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -18.558 2.350 -10.058 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -18.571 4.446 -11.426 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.953 4.101 -12.003 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -17.767 2.000 -13.099 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -19.381 2.280 -12.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -19.185 3.004 -14.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -19.486 4.337 -13.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -17.923 4.065 -14.357 1.00 0.00 H new ATOM 1207 N LYS A 78 -16.709 0.296 -8.022 1.00 0.00 N ATOM 1208 CA LYS A 78 -15.964 -0.936 -8.273 1.00 0.00 C ATOM 1209 C LYS A 78 -15.676 -1.063 -9.746 1.00 0.00 C ATOM 1210 O LYS A 78 -16.365 -0.440 -10.537 1.00 0.00 O ATOM 1211 CB LYS A 78 -16.631 -2.239 -7.746 1.00 0.00 C ATOM 1212 CG LYS A 78 -17.902 -2.653 -8.542 1.00 0.00 C ATOM 1213 CD LYS A 78 -18.437 -4.061 -8.142 1.00 0.00 C ATOM 1214 CE LYS A 78 -17.560 -5.234 -8.669 1.00 0.00 C ATOM 1215 NZ LYS A 78 -18.173 -6.549 -8.371 1.00 0.00 N ATOM 0 H LYS A 78 -17.672 0.172 -7.711 1.00 0.00 H new ATOM 0 HA LYS A 78 -15.044 -0.839 -7.697 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -15.905 -3.051 -7.788 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -16.897 -2.103 -6.698 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -18.685 -1.912 -8.377 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -17.675 -2.646 -9.608 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -18.496 -4.123 -7.055 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -19.451 -4.177 -8.524 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -17.423 -5.131 -9.745 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -16.570 -5.182 -8.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -17.562 -7.307 -8.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -18.281 -6.656 -7.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -19.107 -6.608 -8.825 1.00 0.00 H new ATOM 1229 N PHE A 79 -14.666 -1.879 -10.117 1.00 0.00 N ATOM 1230 CA PHE A 79 -14.321 -2.063 -11.522 1.00 0.00 C ATOM 1231 C PHE A 79 -14.165 -3.533 -11.819 1.00 0.00 C ATOM 1232 O PHE A 79 -13.881 -4.282 -10.898 1.00 0.00 O ATOM 1233 CB PHE A 79 -12.957 -1.389 -11.815 1.00 0.00 C ATOM 1234 CG PHE A 79 -12.918 0.041 -11.264 1.00 0.00 C ATOM 1235 CD1 PHE A 79 -13.487 1.088 -11.998 1.00 0.00 C ATOM 1236 CD2 PHE A 79 -12.308 0.311 -10.033 1.00 0.00 C ATOM 1237 CE1 PHE A 79 -13.413 2.400 -11.525 1.00 0.00 C ATOM 1238 CE2 PHE A 79 -12.221 1.625 -9.564 1.00 0.00 C ATOM 1239 CZ PHE A 79 -12.770 2.670 -10.313 1.00 0.00 C ATOM 0 H PHE A 79 -14.089 -2.409 -9.465 1.00 0.00 H new ATOM 0 HA PHE A 79 -15.111 -1.626 -12.132 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -12.154 -1.976 -11.368 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -12.780 -1.373 -12.890 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -13.985 0.881 -12.934 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -11.903 -0.499 -9.444 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -13.852 3.205 -12.095 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -11.730 1.833 -8.624 1.00 0.00 H new ATOM 0 HZ PHE A 79 -12.697 3.686 -9.955 1.00 0.00 H new ATOM 1249 N LYS A 80 -14.310 -3.941 -13.100 1.00 0.00 N ATOM 1250 CA LYS A 80 -13.859 -5.270 -13.506 1.00 0.00 C ATOM 1251 C LYS A 80 -12.419 -5.101 -13.907 1.00 0.00 C ATOM 1252 O LYS A 80 -11.995 -3.977 -14.117 1.00 0.00 O ATOM 1253 CB LYS A 80 -14.665 -5.878 -14.691 1.00 0.00 C ATOM 1254 CG LYS A 80 -14.474 -5.121 -16.038 1.00 0.00 C ATOM 1255 CD LYS A 80 -15.077 -5.872 -17.261 1.00 0.00 C ATOM 1256 CE LYS A 80 -16.602 -6.153 -17.166 1.00 0.00 C ATOM 1257 NZ LYS A 80 -17.415 -4.927 -16.986 1.00 0.00 N ATOM 0 H LYS A 80 -14.725 -3.380 -13.844 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.003 -5.966 -12.680 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.367 -6.918 -14.825 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.724 -5.880 -14.434 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.936 -4.137 -15.962 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.409 -4.961 -16.208 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.885 -5.286 -18.160 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -14.554 -6.821 -17.381 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -16.927 -6.666 -18.071 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -16.788 -6.830 -16.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -18.421 -5.183 -16.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.130 -4.447 -16.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.265 -4.289 -17.793 1.00 0.00 H new ATOM 1271 N ALA A 81 -11.657 -6.203 -14.045 1.00 0.00 N ATOM 1272 CA ALA A 81 -10.295 -6.079 -14.552 1.00 0.00 C ATOM 1273 C ALA A 81 -9.850 -7.402 -15.112 1.00 0.00 C ATOM 1274 O ALA A 81 -10.440 -8.400 -14.737 1.00 0.00 O ATOM 1275 CB ALA A 81 -9.343 -5.626 -13.420 1.00 0.00 C ATOM 0 H ALA A 81 -11.955 -7.152 -13.819 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.270 -5.328 -15.342 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.329 -5.537 -13.811 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.669 -4.660 -13.035 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.358 -6.361 -12.616 1.00 0.00 H new ATOM 1281 N THR A 82 -8.827 -7.419 -15.997 1.00 0.00 N ATOM 1282 CA THR A 82 -8.319 -8.682 -16.526 1.00 0.00 C ATOM 1283 C THR A 82 -6.851 -8.708 -16.201 1.00 0.00 C ATOM 1284 O THR A 82 -6.039 -8.264 -16.998 1.00 0.00 O ATOM 1285 CB THR A 82 -8.624 -8.816 -18.036 1.00 0.00 C ATOM 1286 OG1 THR A 82 -10.044 -8.665 -18.202 1.00 0.00 O ATOM 1287 CG2 THR A 82 -8.157 -10.201 -18.564 1.00 0.00 C ATOM 0 H THR A 82 -8.353 -6.586 -16.347 1.00 0.00 H new ATOM 0 HA THR A 82 -8.808 -9.545 -16.074 1.00 0.00 H new ATOM 0 HB THR A 82 -8.090 -8.054 -18.604 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.272 -8.743 -19.152 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.379 -10.278 -19.628 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.083 -10.306 -18.409 1.00 0.00 H new ATOM 0 HG23 THR A 82 -8.681 -10.991 -18.026 1.00 0.00 H new ATOM 1295 N VAL A 83 -6.511 -9.224 -15.000 1.00 0.00 N ATOM 1296 CA VAL A 83 -5.114 -9.264 -14.608 1.00 0.00 C ATOM 1297 C VAL A 83 -4.404 -10.278 -15.472 1.00 0.00 C ATOM 1298 O VAL A 83 -4.963 -11.337 -15.704 1.00 0.00 O ATOM 1299 CB VAL A 83 -4.933 -9.701 -13.128 1.00 0.00 C ATOM 1300 CG1 VAL A 83 -3.430 -9.824 -12.773 1.00 0.00 C ATOM 1301 CG2 VAL A 83 -5.566 -8.725 -12.101 1.00 0.00 C ATOM 0 H VAL A 83 -7.168 -9.602 -14.318 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.707 -8.260 -14.727 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.447 -10.659 -13.057 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.326 -10.131 -11.732 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.963 -10.567 -13.419 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.942 -8.860 -12.918 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.397 -9.099 -11.091 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.108 -7.741 -12.204 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.638 -8.648 -12.285 1.00 0.00 H new ATOM 1311 N GLN A 84 -3.162 -9.980 -15.916 1.00 0.00 N ATOM 1312 CA GLN A 84 -2.347 -11.009 -16.558 1.00 0.00 C ATOM 1313 C GLN A 84 -0.908 -10.549 -16.619 1.00 0.00 C ATOM 1314 O GLN A 84 -0.695 -9.349 -16.715 1.00 0.00 O ATOM 1315 CB GLN A 84 -2.879 -11.445 -17.951 1.00 0.00 C ATOM 1316 CG GLN A 84 -3.418 -10.258 -18.795 1.00 0.00 C ATOM 1317 CD GLN A 84 -2.418 -9.142 -18.958 1.00 0.00 C ATOM 1318 OE1 GLN A 84 -2.688 -8.043 -18.496 1.00 0.00 O ATOM 1319 NE2 GLN A 84 -1.262 -9.388 -19.612 1.00 0.00 N ATOM 0 H GLN A 84 -2.722 -9.063 -15.841 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.411 -11.907 -15.944 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -2.078 -11.940 -18.501 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.674 -12.178 -17.817 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -3.708 -10.623 -19.780 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.318 -9.864 -18.323 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.074 -10.319 -19.983 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.577 -8.642 -19.735 1.00 0.00 H new ATOM 1328 N MET A 85 0.080 -11.475 -16.548 1.00 0.00 N ATOM 1329 CA MET A 85 1.481 -11.069 -16.606 1.00 0.00 C ATOM 1330 C MET A 85 1.958 -11.124 -18.032 1.00 0.00 C ATOM 1331 O MET A 85 1.382 -11.854 -18.824 1.00 0.00 O ATOM 1332 CB MET A 85 2.425 -11.911 -15.703 1.00 0.00 C ATOM 1333 CG MET A 85 2.054 -11.762 -14.206 1.00 0.00 C ATOM 1334 SD MET A 85 3.239 -12.650 -13.143 1.00 0.00 S ATOM 1335 CE MET A 85 4.548 -11.398 -12.933 1.00 0.00 C ATOM 0 H MET A 85 -0.074 -12.479 -16.453 1.00 0.00 H new ATOM 0 HA MET A 85 1.523 -10.051 -16.218 1.00 0.00 H new ATOM 0 HB2 MET A 85 2.367 -12.961 -15.991 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.457 -11.595 -15.857 1.00 0.00 H new ATOM 0 HG2 MET A 85 2.039 -10.706 -13.936 1.00 0.00 H new ATOM 0 HG3 MET A 85 1.049 -12.149 -14.037 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.341 -11.802 -12.304 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.958 -11.133 -13.908 1.00 0.00 H new ATOM 0 HE3 MET A 85 4.129 -10.509 -12.462 1.00 0.00 H new ATOM 1345 N GLU A 86 3.016 -10.348 -18.359 1.00 0.00 N ATOM 1346 CA GLU A 86 3.524 -10.335 -19.729 1.00 0.00 C ATOM 1347 C GLU A 86 4.983 -9.937 -19.704 1.00 0.00 C ATOM 1348 O GLU A 86 5.371 -8.982 -20.358 1.00 0.00 O ATOM 1349 CB GLU A 86 2.621 -9.414 -20.595 1.00 0.00 C ATOM 1350 CG GLU A 86 2.388 -8.033 -19.927 1.00 0.00 C ATOM 1351 CD GLU A 86 1.624 -7.137 -20.867 1.00 0.00 C ATOM 1352 OE1 GLU A 86 0.371 -7.270 -20.931 1.00 0.00 O ATOM 1353 OE2 GLU A 86 2.267 -6.294 -21.551 1.00 0.00 O ATOM 0 H GLU A 86 3.515 -9.743 -17.707 1.00 0.00 H new ATOM 0 HA GLU A 86 3.482 -11.321 -20.191 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.081 -9.271 -21.573 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.661 -9.902 -20.763 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.834 -8.157 -18.997 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.344 -7.576 -19.670 1.00 0.00 H new ATOM 1360 N GLY A 87 5.795 -10.692 -18.925 1.00 0.00 N ATOM 1361 CA GLY A 87 7.211 -10.372 -18.747 1.00 0.00 C ATOM 1362 C GLY A 87 7.513 -10.467 -17.271 1.00 0.00 C ATOM 1363 O GLY A 87 6.841 -11.241 -16.607 1.00 0.00 O ATOM 0 H GLY A 87 5.485 -11.520 -18.417 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.835 -11.065 -19.312 1.00 0.00 H new ATOM 0 HA3 GLY A 87 7.428 -9.371 -19.120 1.00 0.00 H new ATOM 1367 N GLY A 88 8.487 -9.699 -16.728 1.00 0.00 N ATOM 1368 CA GLY A 88 8.685 -9.674 -15.278 1.00 0.00 C ATOM 1369 C GLY A 88 7.824 -8.572 -14.712 1.00 0.00 C ATOM 1370 O GLY A 88 8.347 -7.685 -14.054 1.00 0.00 O ATOM 0 H GLY A 88 9.125 -9.109 -17.261 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.413 -10.634 -14.839 1.00 0.00 H new ATOM 0 HA3 GLY A 88 9.734 -9.500 -15.039 1.00 0.00 H new ATOM 1374 N LYS A 89 6.497 -8.612 -14.973 1.00 0.00 N ATOM 1375 CA LYS A 89 5.625 -7.521 -14.549 1.00 0.00 C ATOM 1376 C LYS A 89 4.184 -7.946 -14.621 1.00 0.00 C ATOM 1377 O LYS A 89 3.925 -8.906 -15.330 1.00 0.00 O ATOM 1378 CB LYS A 89 5.848 -6.283 -15.460 1.00 0.00 C ATOM 1379 CG LYS A 89 5.414 -6.498 -16.937 1.00 0.00 C ATOM 1380 CD LYS A 89 5.833 -5.272 -17.798 1.00 0.00 C ATOM 1381 CE LYS A 89 5.306 -5.365 -19.255 1.00 0.00 C ATOM 1382 NZ LYS A 89 5.814 -4.255 -20.094 1.00 0.00 N ATOM 0 H LYS A 89 6.027 -9.373 -15.463 1.00 0.00 H new ATOM 0 HA LYS A 89 5.867 -7.261 -13.518 1.00 0.00 H new ATOM 0 HB2 LYS A 89 5.295 -5.438 -15.049 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.904 -6.014 -15.438 1.00 0.00 H new ATOM 0 HG2 LYS A 89 5.874 -7.404 -17.332 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.334 -6.639 -16.991 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.455 -4.360 -17.335 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.920 -5.196 -17.812 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.607 -6.318 -19.691 1.00 0.00 H new ATOM 0 HE3 LYS A 89 4.216 -5.347 -19.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.441 -4.351 -21.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 5.505 -3.347 -19.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.853 -4.287 -20.120 1.00 0.00 H new ATOM 1396 N VAL A 90 3.264 -7.242 -13.915 1.00 0.00 N ATOM 1397 CA VAL A 90 1.840 -7.545 -14.035 1.00 0.00 C ATOM 1398 C VAL A 90 1.127 -6.375 -14.669 1.00 0.00 C ATOM 1399 O VAL A 90 1.382 -5.257 -14.255 1.00 0.00 O ATOM 1400 CB VAL A 90 1.151 -7.986 -12.707 1.00 0.00 C ATOM 1401 CG1 VAL A 90 1.061 -6.877 -11.624 1.00 0.00 C ATOM 1402 CG2 VAL A 90 -0.293 -8.472 -12.993 1.00 0.00 C ATOM 0 H VAL A 90 3.488 -6.480 -13.274 1.00 0.00 H new ATOM 0 HA VAL A 90 1.764 -8.422 -14.678 1.00 0.00 H new ATOM 0 HB VAL A 90 1.787 -8.779 -12.314 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.568 -7.274 -10.737 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.065 -6.542 -11.362 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.487 -6.035 -12.012 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.766 -8.778 -12.060 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.867 -7.662 -13.442 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.263 -9.319 -13.679 1.00 0.00 H new ATOM 1412 N VAL A 91 0.233 -6.620 -15.659 1.00 0.00 N ATOM 1413 CA VAL A 91 -0.633 -5.566 -16.180 1.00 0.00 C ATOM 1414 C VAL A 91 -2.001 -5.892 -15.635 1.00 0.00 C ATOM 1415 O VAL A 91 -2.332 -7.065 -15.567 1.00 0.00 O ATOM 1416 CB VAL A 91 -0.605 -5.533 -17.737 1.00 0.00 C ATOM 1417 CG1 VAL A 91 -1.801 -4.744 -18.338 1.00 0.00 C ATOM 1418 CG2 VAL A 91 0.736 -4.932 -18.240 1.00 0.00 C ATOM 0 H VAL A 91 0.103 -7.531 -16.099 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.312 -4.570 -15.874 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.694 -6.564 -18.078 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.733 -4.752 -19.426 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.737 -5.211 -18.030 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.774 -3.715 -17.981 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.741 -4.915 -19.330 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.844 -3.916 -17.861 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.565 -5.543 -17.883 1.00 0.00 H new ATOM 1428 N VAL A 92 -2.799 -4.873 -15.237 1.00 0.00 N ATOM 1429 CA VAL A 92 -4.101 -5.134 -14.642 1.00 0.00 C ATOM 1430 C VAL A 92 -5.008 -4.082 -15.234 1.00 0.00 C ATOM 1431 O VAL A 92 -5.322 -3.087 -14.602 1.00 0.00 O ATOM 1432 CB VAL A 92 -3.965 -5.310 -13.101 1.00 0.00 C ATOM 1433 CG1 VAL A 92 -2.906 -4.400 -12.436 1.00 0.00 C ATOM 1434 CG2 VAL A 92 -5.331 -5.172 -12.376 1.00 0.00 C ATOM 0 H VAL A 92 -2.557 -3.886 -15.321 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.577 -6.086 -14.877 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.600 -6.330 -12.981 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.883 -4.593 -11.363 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.926 -4.610 -12.864 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.162 -3.355 -12.611 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.188 -5.302 -11.303 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.747 -4.183 -12.570 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.018 -5.934 -12.746 1.00 0.00 H new ATOM 1444 N ASN A 93 -5.386 -4.320 -16.513 1.00 0.00 N ATOM 1445 CA ASN A 93 -6.108 -3.306 -17.274 1.00 0.00 C ATOM 1446 C ASN A 93 -7.561 -3.323 -16.873 1.00 0.00 C ATOM 1447 O ASN A 93 -7.990 -4.279 -16.247 1.00 0.00 O ATOM 1448 CB ASN A 93 -5.939 -3.527 -18.801 1.00 0.00 C ATOM 1449 CG ASN A 93 -6.565 -4.832 -19.242 1.00 0.00 C ATOM 1450 OD1 ASN A 93 -7.781 -4.890 -19.331 1.00 0.00 O ATOM 1451 ND2 ASN A 93 -5.778 -5.896 -19.521 1.00 0.00 N ATOM 0 H ASN A 93 -5.203 -5.187 -17.018 1.00 0.00 H new ATOM 0 HA ASN A 93 -5.692 -2.325 -17.047 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.398 -2.700 -19.343 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -4.879 -3.526 -19.055 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -6.198 -6.778 -19.815 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.765 -5.817 -19.437 1.00 0.00 H new ATOM 1458 N SER A 94 -8.316 -2.255 -17.217 1.00 0.00 N ATOM 1459 CA SER A 94 -9.692 -2.126 -16.734 1.00 0.00 C ATOM 1460 C SER A 94 -10.421 -1.107 -17.593 1.00 0.00 C ATOM 1461 O SER A 94 -9.722 -0.234 -18.085 1.00 0.00 O ATOM 1462 CB SER A 94 -9.553 -1.607 -15.279 1.00 0.00 C ATOM 1463 OG SER A 94 -10.780 -1.566 -14.544 1.00 0.00 O ATOM 0 H SER A 94 -7.997 -1.491 -17.813 1.00 0.00 H new ATOM 0 HA SER A 94 -10.252 -3.060 -16.777 1.00 0.00 H new ATOM 0 HB2 SER A 94 -8.846 -2.243 -14.746 1.00 0.00 H new ATOM 0 HB3 SER A 94 -9.125 -0.605 -15.303 1.00 0.00 H new ATOM 0 HG SER A 94 -11.142 -2.473 -14.461 1.00 0.00 H new ATOM 1469 N PRO A 95 -11.758 -1.128 -17.834 1.00 0.00 N ATOM 1470 CA PRO A 95 -12.341 -0.155 -18.750 1.00 0.00 C ATOM 1471 C PRO A 95 -12.265 1.272 -18.249 1.00 0.00 C ATOM 1472 O PRO A 95 -12.229 2.148 -19.101 1.00 0.00 O ATOM 1473 CB PRO A 95 -13.789 -0.696 -18.861 1.00 0.00 C ATOM 1474 CG PRO A 95 -14.013 -1.460 -17.537 1.00 0.00 C ATOM 1475 CD PRO A 95 -12.647 -2.142 -17.285 1.00 0.00 C ATOM 0 HA PRO A 95 -11.820 -0.075 -19.704 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.508 0.114 -18.979 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.903 -1.353 -19.724 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.282 -0.786 -16.724 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.817 -2.190 -17.625 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.463 -2.330 -16.227 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.557 -3.099 -17.799 1.00 0.00 H new ATOM 1483 N ASN A 96 -12.227 1.552 -16.923 1.00 0.00 N ATOM 1484 CA ASN A 96 -12.071 2.937 -16.461 1.00 0.00 C ATOM 1485 C ASN A 96 -11.125 3.018 -15.283 1.00 0.00 C ATOM 1486 O ASN A 96 -11.388 3.779 -14.366 1.00 0.00 O ATOM 1487 CB ASN A 96 -13.451 3.569 -16.137 1.00 0.00 C ATOM 1488 CG ASN A 96 -14.331 3.579 -17.365 1.00 0.00 C ATOM 1489 OD1 ASN A 96 -14.341 4.572 -18.074 1.00 0.00 O ATOM 1490 ND2 ASN A 96 -15.075 2.489 -17.646 1.00 0.00 N ATOM 0 H ASN A 96 -12.300 0.856 -16.181 1.00 0.00 H new ATOM 0 HA ASN A 96 -11.626 3.517 -17.270 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -13.937 3.007 -15.339 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -13.315 4.587 -15.772 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -15.671 2.478 -18.474 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -15.042 1.676 -17.031 1.00 0.00 H new ATOM 1497 N TYR A 97 -10.008 2.253 -15.309 1.00 0.00 N ATOM 1498 CA TYR A 97 -9.026 2.316 -14.223 1.00 0.00 C ATOM 1499 C TYR A 97 -7.844 1.437 -14.558 1.00 0.00 C ATOM 1500 O TYR A 97 -7.576 0.467 -13.867 1.00 0.00 O ATOM 1501 CB TYR A 97 -9.639 1.918 -12.851 1.00 0.00 C ATOM 1502 CG TYR A 97 -8.555 1.841 -11.764 1.00 0.00 C ATOM 1503 CD1 TYR A 97 -7.817 2.979 -11.420 1.00 0.00 C ATOM 1504 CD2 TYR A 97 -8.296 0.632 -11.107 1.00 0.00 C ATOM 1505 CE1 TYR A 97 -6.805 2.904 -10.459 1.00 0.00 C ATOM 1506 CE2 TYR A 97 -7.286 0.558 -10.144 1.00 0.00 C ATOM 1507 CZ TYR A 97 -6.539 1.691 -9.814 1.00 0.00 C ATOM 1508 OH TYR A 97 -5.537 1.585 -8.843 1.00 0.00 O ATOM 0 H TYR A 97 -9.775 1.601 -16.058 1.00 0.00 H new ATOM 0 HA TYR A 97 -8.695 3.350 -14.129 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.397 2.646 -12.563 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -10.140 0.954 -12.939 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.031 3.922 -11.901 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.878 -0.246 -11.345 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.228 3.783 -10.214 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -7.082 -0.381 -9.652 1.00 0.00 H new ATOM 0 HH TYR A 97 -4.733 1.194 -9.244 1.00 0.00 H new ATOM 1518 N HIS A 98 -7.117 1.762 -15.650 1.00 0.00 N ATOM 1519 CA HIS A 98 -6.037 0.876 -16.066 1.00 0.00 C ATOM 1520 C HIS A 98 -5.035 0.914 -14.945 1.00 0.00 C ATOM 1521 O HIS A 98 -4.713 2.009 -14.510 1.00 0.00 O ATOM 1522 CB HIS A 98 -5.394 1.297 -17.410 1.00 0.00 C ATOM 1523 CG HIS A 98 -4.214 0.448 -17.819 1.00 0.00 C ATOM 1524 ND1 HIS A 98 -4.219 -0.428 -18.804 1.00 0.00 N ATOM 1525 CD2 HIS A 98 -2.997 0.491 -17.243 1.00 0.00 C ATOM 1526 CE1 HIS A 98 -3.041 -0.960 -18.923 1.00 0.00 C ATOM 1527 NE2 HIS A 98 -2.291 -0.454 -18.059 1.00 0.00 N ATOM 0 H HIS A 98 -7.256 2.592 -16.227 1.00 0.00 H new ATOM 0 HA HIS A 98 -6.416 -0.130 -16.247 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -6.151 1.251 -18.193 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -5.073 2.336 -17.338 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -5.027 -0.654 -19.385 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -2.650 1.074 -16.402 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -2.757 -1.711 -19.645 1.00 0.00 H new ATOM 1536 N HIS A 99 -4.556 -0.254 -14.462 1.00 0.00 N ATOM 1537 CA HIS A 99 -3.604 -0.266 -13.358 1.00 0.00 C ATOM 1538 C HIS A 99 -2.510 -1.210 -13.782 1.00 0.00 C ATOM 1539 O HIS A 99 -2.777 -2.059 -14.619 1.00 0.00 O ATOM 1540 CB HIS A 99 -4.330 -0.650 -12.043 1.00 0.00 C ATOM 1541 CG HIS A 99 -3.430 -0.475 -10.845 1.00 0.00 C ATOM 1542 ND1 HIS A 99 -3.221 0.703 -10.297 1.00 0.00 N ATOM 1543 CD2 HIS A 99 -2.740 -1.428 -10.184 1.00 0.00 C ATOM 1544 CE1 HIS A 99 -2.415 0.582 -9.291 1.00 0.00 C ATOM 1545 NE2 HIS A 99 -2.099 -0.626 -9.178 1.00 0.00 N ATOM 0 H HIS A 99 -4.813 -1.175 -14.818 1.00 0.00 H new ATOM 0 HA HIS A 99 -3.161 0.707 -13.144 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -5.221 -0.033 -11.924 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.665 -1.686 -12.100 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -2.685 -2.492 -10.361 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -2.073 1.386 -8.656 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -1.469 -0.992 -8.465 1.00 0.00 H new ATOM 1554 N THR A 100 -1.277 -1.068 -13.257 1.00 0.00 N ATOM 1555 CA THR A 100 -0.164 -1.842 -13.804 1.00 0.00 C ATOM 1556 C THR A 100 0.998 -1.789 -12.852 1.00 0.00 C ATOM 1557 O THR A 100 1.116 -0.807 -12.140 1.00 0.00 O ATOM 1558 CB THR A 100 0.218 -1.194 -15.164 1.00 0.00 C ATOM 1559 OG1 THR A 100 -0.854 -1.334 -16.099 1.00 0.00 O ATOM 1560 CG2 THR A 100 1.510 -1.765 -15.800 1.00 0.00 C ATOM 0 H THR A 100 -1.039 -0.447 -12.484 1.00 0.00 H new ATOM 0 HA THR A 100 -0.438 -2.887 -13.945 1.00 0.00 H new ATOM 0 HB THR A 100 0.410 -0.145 -14.939 1.00 0.00 H new ATOM 0 HG1 THR A 100 -0.762 -0.661 -16.805 1.00 0.00 H new ATOM 0 HG21 THR A 100 1.705 -1.259 -16.746 1.00 0.00 H new ATOM 0 HG22 THR A 100 2.350 -1.606 -15.124 1.00 0.00 H new ATOM 0 HG23 THR A 100 1.386 -2.833 -15.979 1.00 0.00 H new ATOM 1568 N ALA A 101 1.863 -2.827 -12.823 1.00 0.00 N ATOM 1569 CA ALA A 101 2.984 -2.791 -11.896 1.00 0.00 C ATOM 1570 C ALA A 101 4.110 -3.661 -12.370 1.00 0.00 C ATOM 1571 O ALA A 101 3.887 -4.503 -13.224 1.00 0.00 O ATOM 1572 CB ALA A 101 2.506 -3.198 -10.485 1.00 0.00 C ATOM 0 H ALA A 101 1.802 -3.660 -13.408 1.00 0.00 H new ATOM 0 HA ALA A 101 3.370 -1.773 -11.850 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.348 -3.170 -9.793 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.736 -2.504 -10.148 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.096 -4.207 -10.517 1.00 0.00 H new ATOM 1578 N GLU A 102 5.326 -3.421 -11.834 1.00 0.00 N ATOM 1579 CA GLU A 102 6.515 -4.008 -12.431 1.00 0.00 C ATOM 1580 C GLU A 102 7.620 -4.079 -11.406 1.00 0.00 C ATOM 1581 O GLU A 102 8.080 -3.027 -10.995 1.00 0.00 O ATOM 1582 CB GLU A 102 6.908 -3.082 -13.615 1.00 0.00 C ATOM 1583 CG GLU A 102 8.338 -3.381 -14.130 1.00 0.00 C ATOM 1584 CD GLU A 102 8.646 -2.584 -15.371 1.00 0.00 C ATOM 1585 OE1 GLU A 102 8.542 -1.329 -15.309 1.00 0.00 O ATOM 1586 OE2 GLU A 102 8.997 -3.202 -16.413 1.00 0.00 O ATOM 0 H GLU A 102 5.495 -2.840 -11.013 1.00 0.00 H new ATOM 0 HA GLU A 102 6.336 -5.025 -12.781 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.194 -3.210 -14.429 1.00 0.00 H new ATOM 0 HB3 GLU A 102 6.846 -2.041 -13.298 1.00 0.00 H new ATOM 0 HG2 GLU A 102 9.065 -3.144 -13.353 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.435 -4.445 -14.344 1.00 0.00 H new ATOM 1593 N ILE A 103 8.074 -5.287 -11.001 1.00 0.00 N ATOM 1594 CA ILE A 103 9.272 -5.365 -10.172 1.00 0.00 C ATOM 1595 C ILE A 103 10.412 -5.307 -11.149 1.00 0.00 C ATOM 1596 O ILE A 103 10.300 -5.925 -12.198 1.00 0.00 O ATOM 1597 CB ILE A 103 9.397 -6.702 -9.384 1.00 0.00 C ATOM 1598 CG1 ILE A 103 8.243 -6.867 -8.355 1.00 0.00 C ATOM 1599 CG2 ILE A 103 10.795 -6.877 -8.724 1.00 0.00 C ATOM 1600 CD1 ILE A 103 8.471 -6.165 -6.988 1.00 0.00 C ATOM 0 H ILE A 103 7.641 -6.182 -11.229 1.00 0.00 H new ATOM 0 HA ILE A 103 9.253 -4.567 -9.430 1.00 0.00 H new ATOM 0 HB ILE A 103 9.301 -7.507 -10.113 1.00 0.00 H new ATOM 0 HG12 ILE A 103 7.325 -6.478 -8.797 1.00 0.00 H new ATOM 0 HG13 ILE A 103 8.085 -7.931 -8.177 1.00 0.00 H new ATOM 0 HG21 ILE A 103 10.828 -7.825 -8.188 1.00 0.00 H new ATOM 0 HG22 ILE A 103 11.565 -6.870 -9.495 1.00 0.00 H new ATOM 0 HG23 ILE A 103 10.973 -6.059 -8.026 1.00 0.00 H new ATOM 0 HD11 ILE A 103 7.611 -6.339 -6.342 1.00 0.00 H new ATOM 0 HD12 ILE A 103 9.367 -6.569 -6.517 1.00 0.00 H new ATOM 0 HD13 ILE A 103 8.595 -5.094 -7.145 1.00 0.00 H new ATOM 1612 N VAL A 104 11.510 -4.597 -10.819 1.00 0.00 N ATOM 1613 CA VAL A 104 12.667 -4.607 -11.706 1.00 0.00 C ATOM 1614 C VAL A 104 13.903 -4.244 -10.911 1.00 0.00 C ATOM 1615 O VAL A 104 13.786 -3.398 -10.039 1.00 0.00 O ATOM 1616 CB VAL A 104 12.392 -3.689 -12.931 1.00 0.00 C ATOM 1617 CG1 VAL A 104 12.068 -2.236 -12.494 1.00 0.00 C ATOM 1618 CG2 VAL A 104 13.570 -3.729 -13.938 1.00 0.00 C ATOM 0 H VAL A 104 11.610 -4.033 -9.975 1.00 0.00 H new ATOM 0 HA VAL A 104 12.850 -5.600 -12.117 1.00 0.00 H new ATOM 0 HB VAL A 104 11.510 -4.077 -13.440 1.00 0.00 H new ATOM 0 HG11 VAL A 104 11.882 -1.624 -13.376 1.00 0.00 H new ATOM 0 HG12 VAL A 104 11.182 -2.236 -11.859 1.00 0.00 H new ATOM 0 HG13 VAL A 104 12.912 -1.826 -11.940 1.00 0.00 H new ATOM 0 HG21 VAL A 104 13.348 -3.078 -14.783 1.00 0.00 H new ATOM 0 HG22 VAL A 104 14.481 -3.388 -13.446 1.00 0.00 H new ATOM 0 HG23 VAL A 104 13.710 -4.750 -14.294 1.00 0.00 H new ATOM 1628 N ASP A 105 15.068 -4.884 -11.174 1.00 0.00 N ATOM 1629 CA ASP A 105 16.280 -4.625 -10.395 1.00 0.00 C ATOM 1630 C ASP A 105 16.024 -4.388 -8.920 1.00 0.00 C ATOM 1631 O ASP A 105 16.567 -3.452 -8.354 1.00 0.00 O ATOM 1632 CB ASP A 105 17.110 -3.511 -11.092 1.00 0.00 C ATOM 1633 CG ASP A 105 16.352 -2.213 -11.208 1.00 0.00 C ATOM 1634 OD1 ASP A 105 15.944 -1.660 -10.154 1.00 0.00 O ATOM 1635 OD2 ASP A 105 16.162 -1.722 -12.355 1.00 0.00 O ATOM 0 H ASP A 105 15.183 -5.575 -11.915 1.00 0.00 H new ATOM 0 HA ASP A 105 16.883 -5.533 -10.385 1.00 0.00 H new ATOM 0 HB2 ASP A 105 18.029 -3.342 -10.531 1.00 0.00 H new ATOM 0 HB3 ASP A 105 17.401 -3.848 -12.087 1.00 0.00 H new ATOM 1640 N GLY A 106 15.206 -5.246 -8.266 1.00 0.00 N ATOM 1641 CA GLY A 106 14.987 -5.097 -6.829 1.00 0.00 C ATOM 1642 C GLY A 106 14.405 -3.744 -6.489 1.00 0.00 C ATOM 1643 O GLY A 106 14.883 -3.104 -5.566 1.00 0.00 O ATOM 0 H GLY A 106 14.707 -6.021 -8.703 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.314 -5.880 -6.480 1.00 0.00 H new ATOM 0 HA3 GLY A 106 15.931 -5.230 -6.301 1.00 0.00 H new ATOM 1647 N LYS A 107 13.361 -3.311 -7.230 1.00 0.00 N ATOM 1648 CA LYS A 107 12.732 -2.014 -6.968 1.00 0.00 C ATOM 1649 C LYS A 107 11.335 -2.060 -7.540 1.00 0.00 C ATOM 1650 O LYS A 107 11.214 -2.607 -8.626 1.00 0.00 O ATOM 1651 CB LYS A 107 13.591 -0.899 -7.617 1.00 0.00 C ATOM 1652 CG LYS A 107 12.973 0.511 -7.418 1.00 0.00 C ATOM 1653 CD LYS A 107 13.944 1.647 -7.851 1.00 0.00 C ATOM 1654 CE LYS A 107 14.430 1.567 -9.327 1.00 0.00 C ATOM 1655 NZ LYS A 107 13.333 1.489 -10.321 1.00 0.00 N ATOM 0 H LYS A 107 12.947 -3.837 -8.000 1.00 0.00 H new ATOM 0 HA LYS A 107 12.668 -1.799 -5.901 1.00 0.00 H new ATOM 0 HB2 LYS A 107 14.593 -0.918 -7.187 1.00 0.00 H new ATOM 0 HB3 LYS A 107 13.698 -1.100 -8.683 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.050 0.586 -7.994 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.706 0.644 -6.370 1.00 0.00 H new ATOM 0 HD2 LYS A 107 13.449 2.606 -7.698 1.00 0.00 H new ATOM 0 HD3 LYS A 107 14.815 1.630 -7.196 1.00 0.00 H new ATOM 0 HE2 LYS A 107 15.042 2.442 -9.545 1.00 0.00 H new ATOM 0 HE3 LYS A 107 15.072 0.693 -9.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 13.735 1.439 -11.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 12.761 0.639 -10.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 12.732 2.334 -10.242 1.00 0.00 H new ATOM 1669 N LEU A 108 10.285 -1.542 -6.853 1.00 0.00 N ATOM 1670 CA LEU A 108 8.925 -1.766 -7.345 1.00 0.00 C ATOM 1671 C LEU A 108 8.498 -0.543 -8.115 1.00 0.00 C ATOM 1672 O LEU A 108 8.434 0.522 -7.524 1.00 0.00 O ATOM 1673 CB LEU A 108 7.905 -2.101 -6.223 1.00 0.00 C ATOM 1674 CG LEU A 108 6.413 -2.152 -6.679 1.00 0.00 C ATOM 1675 CD1 LEU A 108 6.140 -3.202 -7.793 1.00 0.00 C ATOM 1676 CD2 LEU A 108 5.498 -2.485 -5.468 1.00 0.00 C ATOM 0 H LEU A 108 10.357 -0.992 -5.997 1.00 0.00 H new ATOM 0 HA LEU A 108 8.938 -2.646 -7.988 1.00 0.00 H new ATOM 0 HB2 LEU A 108 8.169 -3.065 -5.789 1.00 0.00 H new ATOM 0 HB3 LEU A 108 8.002 -1.358 -5.431 1.00 0.00 H new ATOM 0 HG LEU A 108 6.193 -1.166 -7.088 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.084 -3.182 -8.061 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.741 -2.966 -8.671 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.404 -4.195 -7.429 1.00 0.00 H new ATOM 0 HD21 LEU A 108 4.459 -2.518 -5.795 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.780 -3.453 -5.055 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.613 -1.717 -4.703 1.00 0.00 H new ATOM 1688 N VAL A 109 8.200 -0.699 -9.425 1.00 0.00 N ATOM 1689 CA VAL A 109 7.682 0.402 -10.226 1.00 0.00 C ATOM 1690 C VAL A 109 6.184 0.210 -10.304 1.00 0.00 C ATOM 1691 O VAL A 109 5.745 -0.928 -10.291 1.00 0.00 O ATOM 1692 CB VAL A 109 8.394 0.399 -11.608 1.00 0.00 C ATOM 1693 CG1 VAL A 109 7.792 1.458 -12.565 1.00 0.00 C ATOM 1694 CG2 VAL A 109 9.919 0.633 -11.419 1.00 0.00 C ATOM 0 H VAL A 109 8.313 -1.575 -9.935 1.00 0.00 H new ATOM 0 HA VAL A 109 7.878 1.383 -9.793 1.00 0.00 H new ATOM 0 HB VAL A 109 8.237 -0.577 -12.067 1.00 0.00 H new ATOM 0 HG11 VAL A 109 8.316 1.425 -13.520 1.00 0.00 H new ATOM 0 HG12 VAL A 109 6.735 1.246 -12.724 1.00 0.00 H new ATOM 0 HG13 VAL A 109 7.901 2.449 -12.125 1.00 0.00 H new ATOM 0 HG21 VAL A 109 10.411 0.630 -12.392 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.082 1.595 -10.933 1.00 0.00 H new ATOM 0 HG23 VAL A 109 10.335 -0.161 -10.799 1.00 0.00 H new ATOM 1704 N GLU A 110 5.394 1.308 -10.363 1.00 0.00 N ATOM 1705 CA GLU A 110 3.934 1.204 -10.343 1.00 0.00 C ATOM 1706 C GLU A 110 3.387 2.208 -11.330 1.00 0.00 C ATOM 1707 O GLU A 110 3.814 3.348 -11.248 1.00 0.00 O ATOM 1708 CB GLU A 110 3.434 1.491 -8.900 1.00 0.00 C ATOM 1709 CG GLU A 110 1.914 1.811 -8.820 1.00 0.00 C ATOM 1710 CD GLU A 110 1.060 0.701 -9.375 1.00 0.00 C ATOM 1711 OE1 GLU A 110 1.140 -0.435 -8.836 1.00 0.00 O ATOM 1712 OE2 GLU A 110 0.298 0.956 -10.346 1.00 0.00 O ATOM 0 H GLU A 110 5.748 2.263 -10.424 1.00 0.00 H new ATOM 0 HA GLU A 110 3.595 0.208 -10.626 1.00 0.00 H new ATOM 0 HB2 GLU A 110 3.648 0.627 -8.271 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.996 2.330 -8.490 1.00 0.00 H new ATOM 0 HG2 GLU A 110 1.638 1.992 -7.781 1.00 0.00 H new ATOM 0 HG3 GLU A 110 1.710 2.731 -9.369 1.00 0.00 H new ATOM 1719 N VAL A 111 2.468 1.819 -12.249 1.00 0.00 N ATOM 1720 CA VAL A 111 1.914 2.772 -13.210 1.00 0.00 C ATOM 1721 C VAL A 111 0.413 2.635 -13.218 1.00 0.00 C ATOM 1722 O VAL A 111 -0.078 1.535 -13.020 1.00 0.00 O ATOM 1723 CB VAL A 111 2.457 2.529 -14.650 1.00 0.00 C ATOM 1724 CG1 VAL A 111 1.933 3.585 -15.662 1.00 0.00 C ATOM 1725 CG2 VAL A 111 4.007 2.508 -14.643 1.00 0.00 C ATOM 0 H VAL A 111 2.108 0.868 -12.335 1.00 0.00 H new ATOM 0 HA VAL A 111 2.214 3.775 -12.906 1.00 0.00 H new ATOM 0 HB VAL A 111 2.086 1.558 -14.978 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.339 3.374 -16.651 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.844 3.544 -15.700 1.00 0.00 H new ATOM 0 HG13 VAL A 111 2.248 4.580 -15.346 1.00 0.00 H new ATOM 0 HG21 VAL A 111 4.373 2.337 -15.655 1.00 0.00 H new ATOM 0 HG22 VAL A 111 4.382 3.464 -14.278 1.00 0.00 H new ATOM 0 HG23 VAL A 111 4.357 1.708 -13.991 1.00 0.00 H new ATOM 1735 N SER A 112 -0.323 3.741 -13.463 1.00 0.00 N ATOM 1736 CA SER A 112 -1.771 3.639 -13.619 1.00 0.00 C ATOM 1737 C SER A 112 -2.192 4.631 -14.667 1.00 0.00 C ATOM 1738 O SER A 112 -1.458 5.590 -14.844 1.00 0.00 O ATOM 1739 CB SER A 112 -2.460 3.920 -12.262 1.00 0.00 C ATOM 1740 OG SER A 112 -1.783 3.172 -11.237 1.00 0.00 O ATOM 0 H SER A 112 0.057 4.683 -13.553 1.00 0.00 H new ATOM 0 HA SER A 112 -2.064 2.637 -13.934 1.00 0.00 H new ATOM 0 HB2 SER A 112 -2.428 4.986 -12.036 1.00 0.00 H new ATOM 0 HB3 SER A 112 -3.511 3.635 -12.306 1.00 0.00 H new ATOM 0 HG SER A 112 -2.281 2.349 -11.049 1.00 0.00 H new ATOM 1746 N THR A 113 -3.330 4.426 -15.371 1.00 0.00 N ATOM 1747 CA THR A 113 -3.701 5.375 -16.416 1.00 0.00 C ATOM 1748 C THR A 113 -5.202 5.513 -16.484 1.00 0.00 C ATOM 1749 O THR A 113 -5.887 4.539 -16.217 1.00 0.00 O ATOM 1750 CB THR A 113 -3.068 4.963 -17.773 1.00 0.00 C ATOM 1751 OG1 THR A 113 -1.678 4.641 -17.606 1.00 0.00 O ATOM 1752 CG2 THR A 113 -3.249 6.050 -18.866 1.00 0.00 C ATOM 0 H THR A 113 -3.973 3.646 -15.236 1.00 0.00 H new ATOM 0 HA THR A 113 -3.303 6.360 -16.173 1.00 0.00 H new ATOM 0 HB THR A 113 -3.599 4.075 -18.115 1.00 0.00 H new ATOM 0 HG1 THR A 113 -1.296 4.382 -18.471 1.00 0.00 H new ATOM 0 HG21 THR A 113 -2.789 5.712 -19.795 1.00 0.00 H new ATOM 0 HG22 THR A 113 -4.312 6.227 -19.031 1.00 0.00 H new ATOM 0 HG23 THR A 113 -2.774 6.975 -18.541 1.00 0.00 H new ATOM 1760 N VAL A 114 -5.713 6.726 -16.805 1.00 0.00 N ATOM 1761 CA VAL A 114 -7.144 6.990 -16.650 1.00 0.00 C ATOM 1762 C VAL A 114 -7.611 7.952 -17.723 1.00 0.00 C ATOM 1763 O VAL A 114 -8.249 8.942 -17.407 1.00 0.00 O ATOM 1764 CB VAL A 114 -7.393 7.514 -15.199 1.00 0.00 C ATOM 1765 CG1 VAL A 114 -7.302 6.393 -14.137 1.00 0.00 C ATOM 1766 CG2 VAL A 114 -6.416 8.672 -14.855 1.00 0.00 C ATOM 0 H VAL A 114 -5.166 7.509 -17.162 1.00 0.00 H new ATOM 0 HA VAL A 114 -7.731 6.081 -16.782 1.00 0.00 H new ATOM 0 HB VAL A 114 -8.415 7.893 -15.174 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -7.483 6.813 -13.148 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -8.050 5.629 -14.349 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -6.309 5.945 -14.165 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -6.608 9.021 -13.840 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -5.389 8.315 -14.928 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -6.565 9.494 -15.555 1.00 0.00 H new ATOM 1776 N GLY A 115 -7.311 7.668 -19.012 1.00 0.00 N ATOM 1777 CA GLY A 115 -7.747 8.546 -20.096 1.00 0.00 C ATOM 1778 C GLY A 115 -6.598 9.417 -20.543 1.00 0.00 C ATOM 1779 O GLY A 115 -6.009 9.116 -21.569 1.00 0.00 O ATOM 0 H GLY A 115 -6.779 6.851 -19.312 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -8.112 7.951 -20.934 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -8.577 9.168 -19.761 1.00 0.00 H new ATOM 1783 N GLY A 116 -6.270 10.494 -19.788 1.00 0.00 N ATOM 1784 CA GLY A 116 -5.210 11.410 -20.213 1.00 0.00 C ATOM 1785 C GLY A 116 -4.280 11.819 -19.097 1.00 0.00 C ATOM 1786 O GLY A 116 -3.688 12.881 -19.214 1.00 0.00 O ATOM 0 H GLY A 116 -6.718 10.737 -18.904 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -4.628 10.937 -21.004 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -5.664 12.303 -20.642 1.00 0.00 H new ATOM 1790 N VAL A 117 -4.117 11.005 -18.026 1.00 0.00 N ATOM 1791 CA VAL A 117 -3.180 11.352 -16.957 1.00 0.00 C ATOM 1792 C VAL A 117 -2.536 10.060 -16.525 1.00 0.00 C ATOM 1793 O VAL A 117 -3.099 9.393 -15.671 1.00 0.00 O ATOM 1794 CB VAL A 117 -3.897 12.034 -15.754 1.00 0.00 C ATOM 1795 CG1 VAL A 117 -2.882 12.384 -14.628 1.00 0.00 C ATOM 1796 CG2 VAL A 117 -4.647 13.314 -16.208 1.00 0.00 C ATOM 0 H VAL A 117 -4.615 10.125 -17.890 1.00 0.00 H new ATOM 0 HA VAL A 117 -2.443 12.071 -17.316 1.00 0.00 H new ATOM 0 HB VAL A 117 -4.625 11.326 -15.359 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -3.407 12.859 -13.799 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -2.400 11.472 -14.277 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -2.127 13.067 -15.018 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -5.139 13.771 -15.350 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -3.936 14.020 -16.637 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -5.394 13.052 -16.957 1.00 0.00 H new ATOM 1806 N SER A 118 -1.366 9.672 -17.083 1.00 0.00 N ATOM 1807 CA SER A 118 -0.709 8.492 -16.537 1.00 0.00 C ATOM 1808 C SER A 118 -0.195 8.882 -15.175 1.00 0.00 C ATOM 1809 O SER A 118 -0.027 10.064 -14.919 1.00 0.00 O ATOM 1810 CB SER A 118 0.449 7.898 -17.375 1.00 0.00 C ATOM 1811 OG SER A 118 0.923 6.701 -16.733 1.00 0.00 O ATOM 0 H SER A 118 -0.892 10.132 -17.860 1.00 0.00 H new ATOM 0 HA SER A 118 -1.452 7.695 -16.523 1.00 0.00 H new ATOM 0 HB2 SER A 118 0.107 7.674 -18.385 1.00 0.00 H new ATOM 0 HB3 SER A 118 1.258 8.622 -17.466 1.00 0.00 H new ATOM 0 HG SER A 118 1.656 6.317 -17.258 1.00 0.00 H new ATOM 1817 N TYR A 119 0.047 7.884 -14.301 1.00 0.00 N ATOM 1818 CA TYR A 119 0.502 8.168 -12.942 1.00 0.00 C ATOM 1819 C TYR A 119 1.654 7.248 -12.652 1.00 0.00 C ATOM 1820 O TYR A 119 1.584 6.411 -11.766 1.00 0.00 O ATOM 1821 CB TYR A 119 -0.728 8.015 -12.015 1.00 0.00 C ATOM 1822 CG TYR A 119 -0.510 8.125 -10.498 1.00 0.00 C ATOM 1823 CD1 TYR A 119 0.428 9.002 -9.944 1.00 0.00 C ATOM 1824 CD2 TYR A 119 -1.294 7.344 -9.638 1.00 0.00 C ATOM 1825 CE1 TYR A 119 0.507 9.168 -8.559 1.00 0.00 C ATOM 1826 CE2 TYR A 119 -1.182 7.474 -8.251 1.00 0.00 C ATOM 1827 CZ TYR A 119 -0.300 8.413 -7.705 1.00 0.00 C ATOM 1828 OH TYR A 119 -0.211 8.609 -6.326 1.00 0.00 O ATOM 0 H TYR A 119 -0.065 6.893 -14.515 1.00 0.00 H new ATOM 0 HA TYR A 119 0.881 9.178 -12.788 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -1.458 8.772 -12.302 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -1.179 7.044 -12.217 1.00 0.00 H new ATOM 0 HD1 TYR A 119 1.095 9.554 -10.590 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -1.993 6.633 -10.052 1.00 0.00 H new ATOM 0 HE1 TYR A 119 1.199 9.887 -8.145 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -1.776 6.850 -7.600 1.00 0.00 H new ATOM 0 HH TYR A 119 -0.932 8.118 -5.879 1.00 0.00 H new ATOM 1838 N GLU A 120 2.734 7.442 -13.440 1.00 0.00 N ATOM 1839 CA GLU A 120 3.944 6.659 -13.226 1.00 0.00 C ATOM 1840 C GLU A 120 4.480 7.033 -11.868 1.00 0.00 C ATOM 1841 O GLU A 120 4.602 8.218 -11.602 1.00 0.00 O ATOM 1842 CB GLU A 120 5.034 6.943 -14.302 1.00 0.00 C ATOM 1843 CG GLU A 120 6.451 6.410 -13.944 1.00 0.00 C ATOM 1844 CD GLU A 120 6.495 4.915 -13.762 1.00 0.00 C ATOM 1845 OE1 GLU A 120 6.190 4.438 -12.636 1.00 0.00 O ATOM 1846 OE2 GLU A 120 6.841 4.201 -14.742 1.00 0.00 O ATOM 0 H GLU A 120 2.783 8.116 -14.204 1.00 0.00 H new ATOM 0 HA GLU A 120 3.698 5.599 -13.295 1.00 0.00 H new ATOM 0 HB2 GLU A 120 4.720 6.496 -15.245 1.00 0.00 H new ATOM 0 HB3 GLU A 120 5.095 8.019 -14.463 1.00 0.00 H new ATOM 0 HG2 GLU A 120 7.149 6.694 -14.732 1.00 0.00 H new ATOM 0 HG3 GLU A 120 6.792 6.891 -13.027 1.00 0.00 H new ATOM 1853 N ARG A 121 4.823 6.044 -11.014 1.00 0.00 N ATOM 1854 CA ARG A 121 5.506 6.357 -9.767 1.00 0.00 C ATOM 1855 C ARG A 121 6.363 5.190 -9.347 1.00 0.00 C ATOM 1856 O ARG A 121 6.111 4.083 -9.793 1.00 0.00 O ATOM 1857 CB ARG A 121 4.541 6.805 -8.643 1.00 0.00 C ATOM 1858 CG ARG A 121 3.388 5.803 -8.377 1.00 0.00 C ATOM 1859 CD ARG A 121 2.560 6.230 -7.127 1.00 0.00 C ATOM 1860 NE ARG A 121 1.354 5.423 -6.960 1.00 0.00 N ATOM 1861 CZ ARG A 121 0.523 5.536 -5.943 1.00 0.00 C ATOM 1862 NH1 ARG A 121 0.702 6.402 -4.972 1.00 0.00 N ATOM 1863 NH2 ARG A 121 -0.532 4.754 -5.895 1.00 0.00 N ATOM 0 H ARG A 121 4.639 5.053 -11.170 1.00 0.00 H new ATOM 0 HA ARG A 121 6.150 7.217 -9.949 1.00 0.00 H new ATOM 0 HB2 ARG A 121 5.109 6.945 -7.723 1.00 0.00 H new ATOM 0 HB3 ARG A 121 4.116 7.774 -8.906 1.00 0.00 H new ATOM 0 HG2 ARG A 121 2.737 5.751 -9.250 1.00 0.00 H new ATOM 0 HG3 ARG A 121 3.796 4.804 -8.224 1.00 0.00 H new ATOM 0 HD2 ARG A 121 3.180 6.141 -6.235 1.00 0.00 H new ATOM 0 HD3 ARG A 121 2.282 7.280 -7.219 1.00 0.00 H new ATOM 0 HE ARG A 121 1.141 4.728 -7.676 1.00 0.00 H new ATOM 0 HH11 ARG A 121 1.511 7.023 -4.985 1.00 0.00 H new ATOM 0 HH12 ARG A 121 0.032 6.454 -4.205 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -0.697 4.074 -6.637 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -1.186 4.827 -5.116 1.00 0.00 H new ATOM 1877 N VAL A 122 7.391 5.453 -8.506 1.00 0.00 N ATOM 1878 CA VAL A 122 8.354 4.421 -8.137 1.00 0.00 C ATOM 1879 C VAL A 122 8.275 4.226 -6.647 1.00 0.00 C ATOM 1880 O VAL A 122 7.907 5.173 -5.968 1.00 0.00 O ATOM 1881 CB VAL A 122 9.761 4.883 -8.614 1.00 0.00 C ATOM 1882 CG1 VAL A 122 10.871 3.879 -8.203 1.00 0.00 C ATOM 1883 CG2 VAL A 122 9.756 5.084 -10.157 1.00 0.00 C ATOM 0 H VAL A 122 7.563 6.364 -8.081 1.00 0.00 H new ATOM 0 HA VAL A 122 8.144 3.461 -8.609 1.00 0.00 H new ATOM 0 HB VAL A 122 9.985 5.831 -8.125 1.00 0.00 H new ATOM 0 HG11 VAL A 122 11.837 4.240 -8.556 1.00 0.00 H new ATOM 0 HG12 VAL A 122 10.893 3.785 -7.117 1.00 0.00 H new ATOM 0 HG13 VAL A 122 10.663 2.905 -8.647 1.00 0.00 H new ATOM 0 HG21 VAL A 122 10.744 5.407 -10.485 1.00 0.00 H new ATOM 0 HG22 VAL A 122 9.501 4.144 -10.646 1.00 0.00 H new ATOM 0 HG23 VAL A 122 9.019 5.842 -10.423 1.00 0.00 H new ATOM 1893 N SER A 123 8.609 3.019 -6.130 1.00 0.00 N ATOM 1894 CA SER A 123 8.573 2.799 -4.687 1.00 0.00 C ATOM 1895 C SER A 123 9.796 1.992 -4.314 1.00 0.00 C ATOM 1896 O SER A 123 10.064 0.991 -4.963 1.00 0.00 O ATOM 1897 CB SER A 123 7.234 2.143 -4.284 1.00 0.00 C ATOM 1898 OG SER A 123 7.029 0.965 -5.075 1.00 0.00 O ATOM 0 H SER A 123 8.897 2.211 -6.683 1.00 0.00 H new ATOM 0 HA SER A 123 8.612 3.735 -4.130 1.00 0.00 H new ATOM 0 HB2 SER A 123 7.245 1.887 -3.225 1.00 0.00 H new ATOM 0 HB3 SER A 123 6.413 2.844 -4.434 1.00 0.00 H new ATOM 0 HG SER A 123 7.697 0.932 -5.791 1.00 0.00 H new ATOM 1904 N LYS A 124 10.563 2.451 -3.294 1.00 0.00 N ATOM 1905 CA LYS A 124 11.868 1.861 -3.028 1.00 0.00 C ATOM 1906 C LYS A 124 11.659 0.565 -2.286 1.00 0.00 C ATOM 1907 O LYS A 124 10.985 0.589 -1.268 1.00 0.00 O ATOM 1908 CB LYS A 124 12.747 2.840 -2.201 1.00 0.00 C ATOM 1909 CG LYS A 124 14.241 2.419 -2.102 1.00 0.00 C ATOM 1910 CD LYS A 124 15.008 2.332 -3.456 1.00 0.00 C ATOM 1911 CE LYS A 124 14.880 3.584 -4.374 1.00 0.00 C ATOM 1912 NZ LYS A 124 15.345 4.837 -3.733 1.00 0.00 N ATOM 0 H LYS A 124 10.297 3.209 -2.665 1.00 0.00 H new ATOM 0 HA LYS A 124 12.390 1.666 -3.965 1.00 0.00 H new ATOM 0 HB2 LYS A 124 12.689 3.832 -2.649 1.00 0.00 H new ATOM 0 HB3 LYS A 124 12.335 2.920 -1.195 1.00 0.00 H new ATOM 0 HG2 LYS A 124 14.758 3.130 -1.457 1.00 0.00 H new ATOM 0 HG3 LYS A 124 14.294 1.447 -1.612 1.00 0.00 H new ATOM 0 HD2 LYS A 124 16.064 2.162 -3.246 1.00 0.00 H new ATOM 0 HD3 LYS A 124 14.647 1.461 -4.004 1.00 0.00 H new ATOM 0 HE2 LYS A 124 15.454 3.417 -5.285 1.00 0.00 H new ATOM 0 HE3 LYS A 124 13.838 3.702 -4.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 15.232 5.629 -4.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 14.782 5.019 -2.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 16.348 4.743 -3.473 1.00 0.00 H new ATOM 1926 N LYS A 125 12.216 -0.568 -2.769 1.00 0.00 N ATOM 1927 CA LYS A 125 11.999 -1.839 -2.084 1.00 0.00 C ATOM 1928 C LYS A 125 12.908 -1.867 -0.879 1.00 0.00 C ATOM 1929 O LYS A 125 14.112 -1.918 -1.077 1.00 0.00 O ATOM 1930 CB LYS A 125 12.295 -3.023 -3.045 1.00 0.00 C ATOM 1931 CG LYS A 125 11.953 -4.405 -2.431 1.00 0.00 C ATOM 1932 CD LYS A 125 12.316 -5.545 -3.426 1.00 0.00 C ATOM 1933 CE LYS A 125 11.751 -6.930 -3.006 1.00 0.00 C ATOM 1934 NZ LYS A 125 12.188 -7.362 -1.659 1.00 0.00 N ATOM 0 H LYS A 125 12.799 -0.619 -3.604 1.00 0.00 H new ATOM 0 HA LYS A 125 10.961 -1.938 -1.765 1.00 0.00 H new ATOM 0 HB2 LYS A 125 11.724 -2.889 -3.964 1.00 0.00 H new ATOM 0 HB3 LYS A 125 13.350 -3.005 -3.320 1.00 0.00 H new ATOM 0 HG2 LYS A 125 12.499 -4.541 -1.498 1.00 0.00 H new ATOM 0 HG3 LYS A 125 10.891 -4.450 -2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 125 11.935 -5.290 -4.415 1.00 0.00 H new ATOM 0 HD3 LYS A 125 13.401 -5.613 -3.510 1.00 0.00 H new ATOM 0 HE2 LYS A 125 10.662 -6.892 -3.031 1.00 0.00 H new ATOM 0 HE3 LYS A 125 12.061 -7.677 -3.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 12.682 -8.275 -1.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 12.832 -6.650 -1.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 11.358 -7.465 -1.041 1.00 0.00 H new ATOM 1948 N LEU A 126 12.373 -1.824 0.365 1.00 0.00 N ATOM 1949 CA LEU A 126 13.245 -1.816 1.538 1.00 0.00 C ATOM 1950 C LEU A 126 13.611 -3.234 1.917 1.00 0.00 C ATOM 1951 O LEU A 126 14.792 -3.507 2.075 1.00 0.00 O ATOM 1952 CB LEU A 126 12.609 -1.064 2.742 1.00 0.00 C ATOM 1953 CG LEU A 126 12.128 0.387 2.421 1.00 0.00 C ATOM 1954 CD1 LEU A 126 11.766 1.117 3.745 1.00 0.00 C ATOM 1955 CD2 LEU A 126 13.180 1.218 1.634 1.00 0.00 C ATOM 0 H LEU A 126 11.374 -1.795 0.567 1.00 0.00 H new ATOM 0 HA LEU A 126 14.151 -1.271 1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 126 11.760 -1.642 3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 126 13.337 -1.021 3.552 1.00 0.00 H new ATOM 0 HG LEU A 126 11.252 0.299 1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 126 11.430 2.130 3.522 1.00 0.00 H new ATOM 0 HD12 LEU A 126 10.969 0.574 4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 126 12.644 1.160 4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 126 12.786 2.216 1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 126 14.095 1.296 2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 126 13.398 0.725 0.686 1.00 0.00 H new ATOM 1967 N ALA A 127 12.634 -4.158 2.075 1.00 0.00 N ATOM 1968 CA ALA A 127 12.987 -5.522 2.470 1.00 0.00 C ATOM 1969 C ALA A 127 13.793 -6.207 1.397 1.00 0.00 C ATOM 1970 O ALA A 127 13.896 -5.730 0.279 1.00 0.00 O ATOM 1971 CB ALA A 127 11.738 -6.386 2.775 1.00 0.00 C ATOM 0 H ALA A 127 11.638 -3.986 1.939 1.00 0.00 H new ATOM 0 HA ALA A 127 13.581 -5.429 3.379 1.00 0.00 H new ATOM 0 HB1 ALA A 127 12.051 -7.389 3.064 1.00 0.00 H new ATOM 0 HB2 ALA A 127 11.173 -5.934 3.590 1.00 0.00 H new ATOM 0 HB3 ALA A 127 11.110 -6.444 1.886 1.00 0.00 H new