USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 439 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 59:sc= 0.229 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 45:sc= 1.09 USER MOD Single : A 11 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.51) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -1:sc= 1.21 USER MOD Single : A 17 SER OG : rot 42:sc= -0.316 USER MOD Single : A 21 HIS : no HD1:sc= -1.81! K(o=-1.8!,f=-1.3) USER MOD Single : A 23 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.016) USER MOD Single : A 26 ASN : amide:sc= -0.72 K(o=-0.72,f=-4.8!) USER MOD Single : A 27 TYR OH : rot -15:sc= -0.955 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 39 ASN : amide:sc= -0.147 X(o=-0.15,f=-0.15) USER MOD Single : A 41 GLN : amide:sc= -0.116 K(o=-0.12,f=-1.5!) USER MOD Single : A 42 MET CE :methyl 180:sc= -0.107 (180deg=-0.107) USER MOD Single : A 43 MET CE :methyl 152:sc= -0.506 (180deg=-1.61!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.748 K(o=-0.75,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 164:sc= -0.0169 (180deg=-0.185) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -2.8! K(o=-2.8!,f=-0.97) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.575 14.612 -8.434 1.00 0.00 N ATOM 2 CA GLY A 1 8.424 13.206 -8.758 1.00 0.00 C ATOM 3 C GLY A 1 8.241 12.970 -10.244 1.00 0.00 C ATOM 4 O GLY A 1 9.200 12.663 -10.953 1.00 0.00 O ATOM 0 H1 GLY A 1 8.697 14.720 -7.407 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.409 14.994 -8.924 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.727 15.131 -8.739 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.302 12.660 -8.412 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.566 12.803 -8.221 1.00 0.00 H new ATOM 8 N SER A 2 7.007 13.111 -10.717 1.00 0.00 N ATOM 9 CA SER A 2 6.701 12.906 -12.128 1.00 0.00 C ATOM 10 C SER A 2 6.901 14.195 -12.920 1.00 0.00 C ATOM 11 O SER A 2 6.859 15.291 -12.363 1.00 0.00 O ATOM 12 CB SER A 2 5.263 12.410 -12.293 1.00 0.00 C ATOM 13 OG SER A 2 4.339 13.478 -12.177 1.00 0.00 O ATOM 0 H SER A 2 6.203 13.366 -10.144 1.00 0.00 H new ATOM 0 HA SER A 2 7.385 12.151 -12.517 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.150 11.931 -13.265 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.047 11.654 -11.538 1.00 0.00 H new ATOM 0 HG SER A 2 3.428 13.135 -12.288 1.00 0.00 H new ATOM 19 N SER A 3 7.117 14.053 -14.224 1.00 0.00 N ATOM 20 CA SER A 3 7.327 15.204 -15.094 1.00 0.00 C ATOM 21 C SER A 3 6.464 16.382 -14.653 1.00 0.00 C ATOM 22 O SER A 3 5.239 16.343 -14.762 1.00 0.00 O ATOM 23 CB SER A 3 7.010 14.838 -16.545 1.00 0.00 C ATOM 24 OG SER A 3 7.758 13.709 -16.962 1.00 0.00 O ATOM 0 H SER A 3 7.151 13.152 -14.701 1.00 0.00 H new ATOM 0 HA SER A 3 8.374 15.497 -15.022 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.945 14.630 -16.646 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.232 15.685 -17.194 1.00 0.00 H new ATOM 0 HG SER A 3 7.536 13.495 -17.892 1.00 0.00 H new ATOM 30 N GLY A 4 7.113 17.430 -14.155 1.00 0.00 N ATOM 31 CA GLY A 4 6.389 18.605 -13.705 1.00 0.00 C ATOM 32 C GLY A 4 5.257 18.982 -14.640 1.00 0.00 C ATOM 33 O GLY A 4 5.477 19.223 -15.827 1.00 0.00 O ATOM 0 H GLY A 4 8.127 17.487 -14.055 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.987 18.421 -12.709 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.080 19.443 -13.620 1.00 0.00 H new ATOM 37 N SER A 5 4.042 19.032 -14.104 1.00 0.00 N ATOM 38 CA SER A 5 2.869 19.377 -14.900 1.00 0.00 C ATOM 39 C SER A 5 2.121 20.554 -14.283 1.00 0.00 C ATOM 40 O SER A 5 1.616 20.465 -13.164 1.00 0.00 O ATOM 41 CB SER A 5 1.936 18.171 -15.021 1.00 0.00 C ATOM 42 OG SER A 5 2.468 17.201 -15.906 1.00 0.00 O ATOM 0 H SER A 5 3.844 18.838 -13.122 1.00 0.00 H new ATOM 0 HA SER A 5 3.208 19.666 -15.895 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.783 17.726 -14.038 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.959 18.497 -15.379 1.00 0.00 H new ATOM 0 HG SER A 5 3.344 16.906 -15.580 1.00 0.00 H new ATOM 48 N SER A 6 2.054 21.658 -15.021 1.00 0.00 N ATOM 49 CA SER A 6 1.370 22.855 -14.545 1.00 0.00 C ATOM 50 C SER A 6 -0.009 22.510 -13.992 1.00 0.00 C ATOM 51 O SER A 6 -0.652 21.563 -14.443 1.00 0.00 O ATOM 52 CB SER A 6 1.237 23.876 -15.677 1.00 0.00 C ATOM 53 OG SER A 6 0.619 23.299 -16.814 1.00 0.00 O ATOM 0 H SER A 6 2.465 21.748 -15.950 1.00 0.00 H new ATOM 0 HA SER A 6 1.966 23.288 -13.742 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.651 24.729 -15.335 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.223 24.254 -15.948 1.00 0.00 H new ATOM 0 HG SER A 6 0.544 23.972 -17.522 1.00 0.00 H new ATOM 59 N GLY A 7 -0.458 23.286 -13.010 1.00 0.00 N ATOM 60 CA GLY A 7 -1.758 23.048 -12.411 1.00 0.00 C ATOM 61 C GLY A 7 -2.614 24.298 -12.366 1.00 0.00 C ATOM 62 O GLY A 7 -3.301 24.623 -13.333 1.00 0.00 O ATOM 0 H GLY A 7 0.056 24.075 -12.619 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.279 22.275 -12.976 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.624 22.667 -11.399 1.00 0.00 H new ATOM 66 N GLY A 8 -2.574 25.000 -11.238 1.00 0.00 N ATOM 67 CA GLY A 8 -3.358 26.213 -11.091 1.00 0.00 C ATOM 68 C GLY A 8 -4.828 25.928 -10.855 1.00 0.00 C ATOM 69 O GLY A 8 -5.646 26.057 -11.765 1.00 0.00 O ATOM 0 H GLY A 8 -2.013 24.751 -10.423 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.966 26.797 -10.258 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.249 26.823 -11.987 1.00 0.00 H new ATOM 73 N SER A 9 -5.164 25.536 -9.630 1.00 0.00 N ATOM 74 CA SER A 9 -6.545 25.226 -9.278 1.00 0.00 C ATOM 75 C SER A 9 -6.815 25.542 -7.810 1.00 0.00 C ATOM 76 O SER A 9 -6.363 24.827 -6.916 1.00 0.00 O ATOM 77 CB SER A 9 -6.846 23.753 -9.559 1.00 0.00 C ATOM 78 OG SER A 9 -6.133 22.908 -8.672 1.00 0.00 O ATOM 0 H SER A 9 -4.499 25.426 -8.865 1.00 0.00 H new ATOM 0 HA SER A 9 -7.199 25.846 -9.891 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.916 23.572 -9.458 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.578 23.514 -10.588 1.00 0.00 H new ATOM 0 HG SER A 9 -6.198 23.262 -7.760 1.00 0.00 H new ATOM 84 N GLY A 10 -7.557 26.618 -7.569 1.00 0.00 N ATOM 85 CA GLY A 10 -7.876 27.011 -6.209 1.00 0.00 C ATOM 86 C GLY A 10 -8.527 25.892 -5.420 1.00 0.00 C ATOM 87 O GLY A 10 -9.725 25.642 -5.557 1.00 0.00 O ATOM 0 H GLY A 10 -7.943 27.225 -8.292 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.964 27.326 -5.702 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.543 27.873 -6.230 1.00 0.00 H new ATOM 91 N HIS A 11 -7.736 25.215 -4.593 1.00 0.00 N ATOM 92 CA HIS A 11 -8.243 24.115 -3.780 1.00 0.00 C ATOM 93 C HIS A 11 -8.219 24.479 -2.299 1.00 0.00 C ATOM 94 O HIS A 11 -7.183 24.380 -1.641 1.00 0.00 O ATOM 95 CB HIS A 11 -7.415 22.852 -4.021 1.00 0.00 C ATOM 96 CG HIS A 11 -7.611 21.800 -2.973 1.00 0.00 C ATOM 97 ND1 HIS A 11 -6.698 21.561 -1.967 1.00 0.00 N ATOM 98 CD2 HIS A 11 -8.622 20.923 -2.777 1.00 0.00 C ATOM 99 CE1 HIS A 11 -7.139 20.580 -1.199 1.00 0.00 C ATOM 100 NE2 HIS A 11 -8.306 20.176 -1.669 1.00 0.00 N ATOM 0 H HIS A 11 -6.742 25.409 -4.468 1.00 0.00 H new ATOM 0 HA HIS A 11 -9.276 23.925 -4.072 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -7.675 22.437 -4.995 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -6.360 23.121 -4.061 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -9.513 20.828 -3.380 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -6.632 20.177 -0.335 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -8.879 19.431 -1.273 1.00 0.00 H new ATOM 109 N PHE A 12 -9.367 24.901 -1.780 1.00 0.00 N ATOM 110 CA PHE A 12 -9.477 25.282 -0.376 1.00 0.00 C ATOM 111 C PHE A 12 -10.640 24.556 0.294 1.00 0.00 C ATOM 112 O PHE A 12 -11.789 24.991 0.210 1.00 0.00 O ATOM 113 CB PHE A 12 -9.665 26.795 -0.249 1.00 0.00 C ATOM 114 CG PHE A 12 -8.394 27.574 -0.432 1.00 0.00 C ATOM 115 CD1 PHE A 12 -7.478 27.682 0.603 1.00 0.00 C ATOM 116 CD2 PHE A 12 -8.115 28.198 -1.637 1.00 0.00 C ATOM 117 CE1 PHE A 12 -6.307 28.398 0.438 1.00 0.00 C ATOM 118 CE2 PHE A 12 -6.945 28.915 -1.807 1.00 0.00 C ATOM 119 CZ PHE A 12 -6.041 29.016 -0.768 1.00 0.00 C ATOM 0 H PHE A 12 -10.234 24.988 -2.310 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.553 24.994 0.126 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.394 27.126 -0.988 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -10.082 27.020 0.733 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.681 27.201 1.549 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.819 28.124 -2.453 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.601 28.474 1.252 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.738 29.396 -2.752 1.00 0.00 H new ATOM 0 HZ PHE A 12 -5.128 29.577 -0.898 1.00 0.00 H new ATOM 129 N ARG A 13 -10.333 23.447 0.959 1.00 0.00 N ATOM 130 CA ARG A 13 -11.352 22.659 1.642 1.00 0.00 C ATOM 131 C ARG A 13 -10.753 21.906 2.827 1.00 0.00 C ATOM 132 O ARG A 13 -9.808 21.132 2.669 1.00 0.00 O ATOM 133 CB ARG A 13 -12.000 21.671 0.671 1.00 0.00 C ATOM 134 CG ARG A 13 -13.158 22.262 -0.117 1.00 0.00 C ATOM 135 CD ARG A 13 -13.593 21.339 -1.244 1.00 0.00 C ATOM 136 NE ARG A 13 -12.684 21.402 -2.386 1.00 0.00 N ATOM 137 CZ ARG A 13 -12.875 20.729 -3.515 1.00 0.00 C ATOM 138 NH1 ARG A 13 -13.936 19.947 -3.653 1.00 0.00 N ATOM 139 NH2 ARG A 13 -12.003 20.839 -4.509 1.00 0.00 N ATOM 0 H ARG A 13 -9.387 23.074 1.039 1.00 0.00 H new ATOM 0 HA ARG A 13 -12.114 23.343 2.015 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.244 21.311 -0.026 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -12.356 20.806 1.230 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -14.000 22.443 0.552 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.864 23.228 -0.529 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -13.641 20.314 -0.875 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -14.599 21.609 -1.566 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.858 21.995 -2.312 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -14.609 19.861 -2.891 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.080 19.431 -4.521 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.186 21.441 -4.406 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.150 20.322 -5.376 1.00 0.00 H new ATOM 153 N CYS A 14 -11.309 22.138 4.011 1.00 0.00 N ATOM 154 CA CYS A 14 -10.829 21.483 5.222 1.00 0.00 C ATOM 155 C CYS A 14 -11.421 20.084 5.354 1.00 0.00 C ATOM 156 O CYS A 14 -11.850 19.680 6.436 1.00 0.00 O ATOM 157 CB CYS A 14 -11.183 22.318 6.453 1.00 0.00 C ATOM 158 SG CYS A 14 -10.472 23.981 6.447 1.00 0.00 S ATOM 0 H CYS A 14 -12.092 22.775 4.158 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.745 21.394 5.152 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -12.268 22.399 6.524 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.843 21.792 7.345 1.00 0.00 H new ATOM 0 HG CYS A 14 -10.830 24.610 7.527 1.00 0.00 H new ATOM 164 N ASP A 15 -11.443 19.349 4.248 1.00 0.00 N ATOM 165 CA ASP A 15 -11.983 17.995 4.239 1.00 0.00 C ATOM 166 C ASP A 15 -10.880 16.971 3.990 1.00 0.00 C ATOM 167 O ASP A 15 -9.814 17.306 3.474 1.00 0.00 O ATOM 168 CB ASP A 15 -13.070 17.863 3.171 1.00 0.00 C ATOM 169 CG ASP A 15 -14.067 19.004 3.215 1.00 0.00 C ATOM 170 OD1 ASP A 15 -14.662 19.232 4.290 1.00 0.00 O ATOM 171 OD2 ASP A 15 -14.252 19.670 2.175 1.00 0.00 O ATOM 0 H ASP A 15 -11.093 19.669 3.345 1.00 0.00 H new ATOM 0 HA ASP A 15 -12.421 17.799 5.218 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.605 17.829 2.186 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.597 16.919 3.308 1.00 0.00 H new ATOM 176 N SER A 16 -11.144 15.722 4.360 1.00 0.00 N ATOM 177 CA SER A 16 -10.172 14.650 4.181 1.00 0.00 C ATOM 178 C SER A 16 -10.843 13.285 4.288 1.00 0.00 C ATOM 179 O SER A 16 -11.425 12.945 5.318 1.00 0.00 O ATOM 180 CB SER A 16 -9.057 14.765 5.223 1.00 0.00 C ATOM 181 OG SER A 16 -8.203 15.860 4.937 1.00 0.00 O ATOM 0 H SER A 16 -12.023 15.428 4.786 1.00 0.00 H new ATOM 0 HA SER A 16 -9.741 14.747 3.185 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.493 14.889 6.214 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.477 13.843 5.243 1.00 0.00 H new ATOM 0 HG SER A 16 -8.498 16.298 4.111 1.00 0.00 H new ATOM 187 N SER A 17 -10.757 12.505 3.215 1.00 0.00 N ATOM 188 CA SER A 17 -11.360 11.177 3.184 1.00 0.00 C ATOM 189 C SER A 17 -10.474 10.163 3.902 1.00 0.00 C ATOM 190 O SER A 17 -9.574 9.575 3.302 1.00 0.00 O ATOM 191 CB SER A 17 -11.595 10.734 1.739 1.00 0.00 C ATOM 192 OG SER A 17 -10.378 10.686 1.016 1.00 0.00 O ATOM 0 H SER A 17 -10.276 12.770 2.356 1.00 0.00 H new ATOM 0 HA SER A 17 -12.318 11.227 3.701 1.00 0.00 H new ATOM 0 HB2 SER A 17 -12.067 9.751 1.729 1.00 0.00 H new ATOM 0 HB3 SER A 17 -12.284 11.423 1.252 1.00 0.00 H new ATOM 0 HG SER A 17 -9.678 10.296 1.580 1.00 0.00 H new ATOM 198 N ARG A 18 -10.737 9.963 5.189 1.00 0.00 N ATOM 199 CA ARG A 18 -9.964 9.021 5.990 1.00 0.00 C ATOM 200 C ARG A 18 -10.072 7.609 5.422 1.00 0.00 C ATOM 201 O ARG A 18 -9.066 6.922 5.244 1.00 0.00 O ATOM 202 CB ARG A 18 -10.447 9.037 7.441 1.00 0.00 C ATOM 203 CG ARG A 18 -9.764 10.091 8.298 1.00 0.00 C ATOM 204 CD ARG A 18 -10.503 10.306 9.610 1.00 0.00 C ATOM 205 NE ARG A 18 -10.626 9.070 10.378 1.00 0.00 N ATOM 206 CZ ARG A 18 -11.032 9.028 11.642 1.00 0.00 C ATOM 207 NH1 ARG A 18 -11.355 10.147 12.276 1.00 0.00 N ATOM 208 NH2 ARG A 18 -11.118 7.865 12.274 1.00 0.00 N ATOM 0 H ARG A 18 -11.480 10.441 5.700 1.00 0.00 H new ATOM 0 HA ARG A 18 -8.919 9.328 5.959 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.523 9.211 7.455 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.277 8.055 7.883 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.738 9.786 8.503 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.714 11.031 7.749 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.976 11.052 10.205 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.496 10.706 9.405 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.387 8.191 9.919 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.292 11.043 11.793 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.666 10.112 13.247 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.872 7.002 11.789 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.430 7.834 13.245 1.00 0.00 H new ATOM 222 N TRP A 19 -11.298 7.182 5.140 1.00 0.00 N ATOM 223 CA TRP A 19 -11.537 5.851 4.594 1.00 0.00 C ATOM 224 C TRP A 19 -11.315 5.835 3.085 1.00 0.00 C ATOM 225 O TRP A 19 -11.321 6.880 2.435 1.00 0.00 O ATOM 226 CB TRP A 19 -12.960 5.393 4.917 1.00 0.00 C ATOM 227 CG TRP A 19 -13.989 6.464 4.717 1.00 0.00 C ATOM 228 CD1 TRP A 19 -14.632 7.175 5.690 1.00 0.00 C ATOM 229 CD2 TRP A 19 -14.496 6.943 3.466 1.00 0.00 C ATOM 230 NE1 TRP A 19 -15.507 8.068 5.119 1.00 0.00 N ATOM 231 CE2 TRP A 19 -15.442 7.946 3.756 1.00 0.00 C ATOM 232 CE3 TRP A 19 -14.240 6.625 2.130 1.00 0.00 C ATOM 233 CZ2 TRP A 19 -16.132 8.629 2.758 1.00 0.00 C ATOM 234 CZ3 TRP A 19 -14.926 7.303 1.141 1.00 0.00 C ATOM 235 CH2 TRP A 19 -15.862 8.296 1.459 1.00 0.00 C ATOM 0 H TRP A 19 -12.142 7.738 5.280 1.00 0.00 H new ATOM 0 HA TRP A 19 -10.828 5.163 5.055 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -13.210 4.538 4.289 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -12.998 5.051 5.951 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -14.476 7.053 6.752 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -16.108 8.717 5.628 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -13.519 5.863 1.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -16.854 9.394 3.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -14.738 7.064 0.105 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -16.381 8.809 0.663 1.00 0.00 H new ATOM 246 N CYS A 20 -11.120 4.642 2.534 1.00 0.00 N ATOM 247 CA CYS A 20 -10.896 4.489 1.101 1.00 0.00 C ATOM 248 C CYS A 20 -12.139 3.933 0.412 1.00 0.00 C ATOM 249 O CYS A 20 -13.010 3.347 1.057 1.00 0.00 O ATOM 250 CB CYS A 20 -9.702 3.566 0.846 1.00 0.00 C ATOM 251 SG CYS A 20 -8.204 4.013 1.781 1.00 0.00 S ATOM 0 H CYS A 20 -11.113 3.767 3.058 1.00 0.00 H new ATOM 0 HA CYS A 20 -10.681 5.473 0.685 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -9.985 2.545 1.101 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -9.469 3.576 -0.219 1.00 0.00 H new ATOM 256 N HIS A 21 -12.214 4.119 -0.902 1.00 0.00 N ATOM 257 CA HIS A 21 -13.349 3.636 -1.679 1.00 0.00 C ATOM 258 C HIS A 21 -12.887 2.700 -2.792 1.00 0.00 C ATOM 259 O HIS A 21 -13.360 2.787 -3.925 1.00 0.00 O ATOM 260 CB HIS A 21 -14.125 4.811 -2.274 1.00 0.00 C ATOM 261 CG HIS A 21 -15.493 4.442 -2.760 1.00 0.00 C ATOM 262 ND1 HIS A 21 -15.980 4.818 -3.994 1.00 0.00 N ATOM 263 CD2 HIS A 21 -16.478 3.725 -2.171 1.00 0.00 C ATOM 264 CE1 HIS A 21 -17.206 4.350 -4.142 1.00 0.00 C ATOM 265 NE2 HIS A 21 -17.532 3.682 -3.050 1.00 0.00 N ATOM 0 H HIS A 21 -11.502 4.601 -1.451 1.00 0.00 H new ATOM 0 HA HIS A 21 -14.005 3.080 -1.009 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -14.215 5.594 -1.521 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -13.555 5.230 -3.103 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -16.442 3.271 -1.192 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -17.835 4.490 -5.009 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -18.422 3.211 -2.886 1.00 0.00 H new ATOM 274 N ASP A 22 -11.960 1.808 -2.461 1.00 0.00 N ATOM 275 CA ASP A 22 -11.434 0.856 -3.433 1.00 0.00 C ATOM 276 C ASP A 22 -12.503 -0.153 -3.839 1.00 0.00 C ATOM 277 O ASP A 22 -12.826 -0.290 -5.018 1.00 0.00 O ATOM 278 CB ASP A 22 -10.219 0.127 -2.858 1.00 0.00 C ATOM 279 CG ASP A 22 -9.410 -0.582 -3.927 1.00 0.00 C ATOM 280 OD1 ASP A 22 -9.436 -0.128 -5.090 1.00 0.00 O ATOM 281 OD2 ASP A 22 -8.751 -1.591 -3.600 1.00 0.00 O ATOM 0 H ASP A 22 -11.557 1.724 -1.528 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.129 1.411 -4.320 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.582 0.843 -2.339 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.552 -0.599 -2.117 1.00 0.00 H new ATOM 286 N ASN A 23 -13.048 -0.859 -2.853 1.00 0.00 N ATOM 287 CA ASN A 23 -14.080 -1.858 -3.108 1.00 0.00 C ATOM 288 C ASN A 23 -15.387 -1.478 -2.417 1.00 0.00 C ATOM 289 O ASN A 23 -16.072 -2.329 -1.851 1.00 0.00 O ATOM 290 CB ASN A 23 -13.617 -3.234 -2.627 1.00 0.00 C ATOM 291 CG ASN A 23 -14.356 -4.366 -3.314 1.00 0.00 C ATOM 292 OD1 ASN A 23 -14.061 -4.709 -4.459 1.00 0.00 O ATOM 293 ND2 ASN A 23 -15.323 -4.951 -2.617 1.00 0.00 N ATOM 0 H ASN A 23 -12.792 -0.758 -1.871 1.00 0.00 H new ATOM 0 HA ASN A 23 -14.256 -1.897 -4.183 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.547 -3.339 -2.809 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.765 -3.308 -1.550 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -15.856 -5.718 -3.028 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -15.533 -4.634 -1.671 1.00 0.00 H new ATOM 300 N GLY A 24 -15.726 -0.194 -2.469 1.00 0.00 N ATOM 301 CA GLY A 24 -16.949 0.276 -1.845 1.00 0.00 C ATOM 302 C GLY A 24 -16.996 -0.025 -0.360 1.00 0.00 C ATOM 303 O GLY A 24 -18.066 -0.260 0.200 1.00 0.00 O ATOM 0 H GLY A 24 -15.176 0.529 -2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.041 1.351 -1.998 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.805 -0.190 -2.334 1.00 0.00 H new ATOM 307 N VAL A 25 -15.831 -0.019 0.280 1.00 0.00 N ATOM 308 CA VAL A 25 -15.742 -0.294 1.709 1.00 0.00 C ATOM 309 C VAL A 25 -14.711 0.608 2.379 1.00 0.00 C ATOM 310 O VAL A 25 -13.658 0.892 1.811 1.00 0.00 O ATOM 311 CB VAL A 25 -15.372 -1.765 1.975 1.00 0.00 C ATOM 312 CG1 VAL A 25 -15.238 -2.020 3.469 1.00 0.00 C ATOM 313 CG2 VAL A 25 -16.407 -2.694 1.359 1.00 0.00 C ATOM 0 H VAL A 25 -14.935 0.173 -0.169 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.726 -0.093 2.132 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.409 -1.970 1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -14.976 -3.065 3.638 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -14.457 -1.379 3.879 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -16.185 -1.799 3.962 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -16.130 -3.730 1.557 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.385 -2.490 1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.449 -2.529 0.282 1.00 0.00 H new ATOM 323 N ASN A 26 -15.023 1.054 3.592 1.00 0.00 N ATOM 324 CA ASN A 26 -14.123 1.924 4.341 1.00 0.00 C ATOM 325 C ASN A 26 -12.991 1.120 4.973 1.00 0.00 C ATOM 326 O ASN A 26 -13.228 0.112 5.640 1.00 0.00 O ATOM 327 CB ASN A 26 -14.895 2.679 5.424 1.00 0.00 C ATOM 328 CG ASN A 26 -15.689 1.750 6.322 1.00 0.00 C ATOM 329 OD1 ASN A 26 -15.694 0.535 6.128 1.00 0.00 O ATOM 330 ND2 ASN A 26 -16.366 2.320 7.313 1.00 0.00 N ATOM 0 H ASN A 26 -15.891 0.828 4.077 1.00 0.00 H new ATOM 0 HA ASN A 26 -13.689 2.643 3.646 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -14.196 3.256 6.030 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -15.572 3.392 4.954 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -16.918 1.746 7.950 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -16.333 3.332 7.437 1.00 0.00 H new ATOM 337 N TYR A 27 -11.761 1.573 4.760 1.00 0.00 N ATOM 338 CA TYR A 27 -10.592 0.896 5.308 1.00 0.00 C ATOM 339 C TYR A 27 -9.776 1.841 6.186 1.00 0.00 C ATOM 340 O TYR A 27 -9.314 2.887 5.731 1.00 0.00 O ATOM 341 CB TYR A 27 -9.717 0.349 4.179 1.00 0.00 C ATOM 342 CG TYR A 27 -10.478 -0.483 3.172 1.00 0.00 C ATOM 343 CD1 TYR A 27 -11.323 -1.506 3.584 1.00 0.00 C ATOM 344 CD2 TYR A 27 -10.353 -0.247 1.809 1.00 0.00 C ATOM 345 CE1 TYR A 27 -12.020 -2.270 2.668 1.00 0.00 C ATOM 346 CE2 TYR A 27 -11.047 -1.005 0.885 1.00 0.00 C ATOM 347 CZ TYR A 27 -11.879 -2.015 1.320 1.00 0.00 C ATOM 348 OH TYR A 27 -12.573 -2.773 0.404 1.00 0.00 O ATOM 0 H TYR A 27 -11.548 2.406 4.212 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.940 0.067 5.924 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -9.241 1.183 3.663 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.920 -0.257 4.610 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -11.437 -1.708 4.639 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.702 0.543 1.465 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -12.672 -3.062 3.006 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.938 -0.808 -0.171 1.00 0.00 H new ATOM 0 HH TYR A 27 -12.918 -3.580 0.841 1.00 0.00 H new ATOM 358 N LYS A 28 -9.604 1.463 7.448 1.00 0.00 N ATOM 359 CA LYS A 28 -8.843 2.274 8.392 1.00 0.00 C ATOM 360 C LYS A 28 -7.395 2.422 7.938 1.00 0.00 C ATOM 361 O LYS A 28 -6.752 1.446 7.551 1.00 0.00 O ATOM 362 CB LYS A 28 -8.889 1.646 9.787 1.00 0.00 C ATOM 363 CG LYS A 28 -10.127 2.023 10.583 1.00 0.00 C ATOM 364 CD LYS A 28 -11.380 1.395 9.996 1.00 0.00 C ATOM 365 CE LYS A 28 -12.634 2.131 10.442 1.00 0.00 C ATOM 366 NZ LYS A 28 -13.801 1.817 9.571 1.00 0.00 N ATOM 0 H LYS A 28 -9.981 0.601 7.841 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.296 3.264 8.430 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.846 0.561 9.690 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.003 1.951 10.343 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.008 1.701 11.617 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.235 3.108 10.598 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.318 1.406 8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.442 0.350 10.301 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.867 1.861 11.472 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.449 3.205 10.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.636 2.338 9.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.589 2.098 8.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.994 0.796 9.604 1.00 0.00 H new ATOM 380 N ILE A 29 -6.887 3.649 7.988 1.00 0.00 N ATOM 381 CA ILE A 29 -5.513 3.924 7.584 1.00 0.00 C ATOM 382 C ILE A 29 -4.569 2.828 8.066 1.00 0.00 C ATOM 383 O ILE A 29 -4.389 2.633 9.268 1.00 0.00 O ATOM 384 CB ILE A 29 -5.027 5.281 8.128 1.00 0.00 C ATOM 385 CG1 ILE A 29 -5.962 6.402 7.671 1.00 0.00 C ATOM 386 CG2 ILE A 29 -3.602 5.554 7.672 1.00 0.00 C ATOM 387 CD1 ILE A 29 -6.087 6.509 6.167 1.00 0.00 C ATOM 0 H ILE A 29 -7.406 4.468 8.304 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.504 3.955 6.494 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.039 5.245 9.217 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.951 6.236 8.099 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.599 7.351 8.066 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.273 6.516 8.064 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.945 4.767 8.042 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.566 5.575 6.583 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.765 7.324 5.915 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.106 6.706 5.733 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.480 5.574 5.767 1.00 0.00 H new ATOM 399 N GLY A 30 -3.965 2.116 7.120 1.00 0.00 N ATOM 400 CA GLY A 30 -3.044 1.049 7.467 1.00 0.00 C ATOM 401 C GLY A 30 -3.618 -0.326 7.188 1.00 0.00 C ATOM 402 O GLY A 30 -2.910 -1.217 6.720 1.00 0.00 O ATOM 0 H GLY A 30 -4.097 2.259 6.119 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.119 1.174 6.904 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.787 1.124 8.524 1.00 0.00 H new ATOM 406 N GLU A 31 -4.904 -0.499 7.478 1.00 0.00 N ATOM 407 CA GLU A 31 -5.571 -1.777 7.257 1.00 0.00 C ATOM 408 C GLU A 31 -5.322 -2.282 5.839 1.00 0.00 C ATOM 409 O GLU A 31 -4.737 -1.583 5.012 1.00 0.00 O ATOM 410 CB GLU A 31 -7.074 -1.643 7.507 1.00 0.00 C ATOM 411 CG GLU A 31 -7.474 -1.870 8.955 1.00 0.00 C ATOM 412 CD GLU A 31 -7.332 -3.320 9.378 1.00 0.00 C ATOM 413 OE1 GLU A 31 -6.183 -3.802 9.467 1.00 0.00 O ATOM 414 OE2 GLU A 31 -8.369 -3.971 9.621 1.00 0.00 O ATOM 0 H GLU A 31 -5.504 0.229 7.866 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.157 -2.500 7.959 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.397 -0.648 7.202 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.604 -2.357 6.877 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.858 -1.245 9.601 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.507 -1.553 9.097 1.00 0.00 H new ATOM 421 N LYS A 32 -5.771 -3.503 5.565 1.00 0.00 N ATOM 422 CA LYS A 32 -5.599 -4.104 4.248 1.00 0.00 C ATOM 423 C LYS A 32 -6.787 -4.995 3.897 1.00 0.00 C ATOM 424 O LYS A 32 -7.440 -5.550 4.781 1.00 0.00 O ATOM 425 CB LYS A 32 -4.305 -4.919 4.201 1.00 0.00 C ATOM 426 CG LYS A 32 -3.070 -4.123 4.586 1.00 0.00 C ATOM 427 CD LYS A 32 -2.805 -4.193 6.081 1.00 0.00 C ATOM 428 CE LYS A 32 -1.347 -3.903 6.402 1.00 0.00 C ATOM 429 NZ LYS A 32 -0.520 -5.142 6.394 1.00 0.00 N ATOM 0 H LYS A 32 -6.257 -4.095 6.238 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.541 -3.300 3.514 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.399 -5.774 4.871 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.172 -5.316 3.195 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.205 -4.506 4.044 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.198 -3.083 4.287 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.442 -3.476 6.599 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.071 -5.182 6.453 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.949 -3.196 5.674 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.278 -3.427 7.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.467 -4.902 6.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.884 -5.807 7.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.565 -5.583 5.453 1.00 0.00 H new ATOM 443 N TRP A 33 -7.059 -5.128 2.604 1.00 0.00 N ATOM 444 CA TRP A 33 -8.168 -5.953 2.138 1.00 0.00 C ATOM 445 C TRP A 33 -7.723 -6.872 1.005 1.00 0.00 C ATOM 446 O TRP A 33 -6.668 -6.667 0.405 1.00 0.00 O ATOM 447 CB TRP A 33 -9.326 -5.070 1.670 1.00 0.00 C ATOM 448 CG TRP A 33 -8.924 -4.061 0.638 1.00 0.00 C ATOM 449 CD1 TRP A 33 -9.028 -4.189 -0.718 1.00 0.00 C ATOM 450 CD2 TRP A 33 -8.354 -2.770 0.879 1.00 0.00 C ATOM 451 NE1 TRP A 33 -8.555 -3.056 -1.335 1.00 0.00 N ATOM 452 CE2 TRP A 33 -8.137 -2.170 -0.377 1.00 0.00 C ATOM 453 CE3 TRP A 33 -8.007 -2.062 2.032 1.00 0.00 C ATOM 454 CZ2 TRP A 33 -7.589 -0.897 -0.509 1.00 0.00 C ATOM 455 CZ3 TRP A 33 -7.462 -0.799 1.900 1.00 0.00 C ATOM 456 CH2 TRP A 33 -7.258 -0.226 0.637 1.00 0.00 C ATOM 0 H TRP A 33 -6.528 -4.676 1.860 1.00 0.00 H new ATOM 0 HA TRP A 33 -8.505 -6.570 2.971 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -10.114 -5.703 1.261 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -9.748 -4.551 2.530 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -9.424 -5.054 -1.230 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -8.521 -2.900 -2.342 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -8.162 -2.494 3.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -7.431 -0.455 -1.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -7.189 -0.244 2.785 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -6.832 0.764 0.567 1.00 0.00 H new ATOM 467 N ASP A 34 -8.534 -7.885 0.719 1.00 0.00 N ATOM 468 CA ASP A 34 -8.224 -8.835 -0.344 1.00 0.00 C ATOM 469 C ASP A 34 -9.075 -8.564 -1.580 1.00 0.00 C ATOM 470 O ASP A 34 -10.304 -8.560 -1.511 1.00 0.00 O ATOM 471 CB ASP A 34 -8.449 -10.267 0.142 1.00 0.00 C ATOM 472 CG ASP A 34 -8.019 -10.464 1.583 1.00 0.00 C ATOM 473 OD1 ASP A 34 -8.795 -10.095 2.490 1.00 0.00 O ATOM 474 OD2 ASP A 34 -6.908 -10.989 1.803 1.00 0.00 O ATOM 0 H ASP A 34 -9.410 -8.069 1.208 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.175 -8.712 -0.614 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.505 -10.519 0.043 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.896 -10.955 -0.497 1.00 0.00 H new ATOM 479 N ARG A 35 -8.413 -8.337 -2.710 1.00 0.00 N ATOM 480 CA ARG A 35 -9.109 -8.063 -3.961 1.00 0.00 C ATOM 481 C ARG A 35 -9.075 -9.280 -4.881 1.00 0.00 C ATOM 482 O ARG A 35 -8.592 -10.345 -4.497 1.00 0.00 O ATOM 483 CB ARG A 35 -8.480 -6.860 -4.667 1.00 0.00 C ATOM 484 CG ARG A 35 -9.044 -5.524 -4.211 1.00 0.00 C ATOM 485 CD ARG A 35 -8.934 -4.471 -5.303 1.00 0.00 C ATOM 486 NE ARG A 35 -10.083 -4.495 -6.204 1.00 0.00 N ATOM 487 CZ ARG A 35 -10.207 -3.697 -7.259 1.00 0.00 C ATOM 488 NH1 ARG A 35 -9.257 -2.816 -7.543 1.00 0.00 N ATOM 489 NH2 ARG A 35 -11.283 -3.778 -8.031 1.00 0.00 N ATOM 0 H ARG A 35 -7.396 -8.337 -2.785 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.149 -7.836 -3.726 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.404 -6.869 -4.493 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.630 -6.961 -5.742 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.089 -5.647 -3.927 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.510 -5.186 -3.323 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.851 -3.484 -4.848 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.021 -4.636 -5.875 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.832 -5.161 -6.013 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.429 -2.750 -6.951 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.354 -2.204 -8.353 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.016 -4.453 -7.815 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.377 -3.165 -8.841 1.00 0.00 H new ATOM 503 N GLN A 36 -9.590 -9.114 -6.094 1.00 0.00 N ATOM 504 CA GLN A 36 -9.619 -10.200 -7.067 1.00 0.00 C ATOM 505 C GLN A 36 -8.534 -10.014 -8.123 1.00 0.00 C ATOM 506 O GLN A 36 -8.433 -8.957 -8.744 1.00 0.00 O ATOM 507 CB GLN A 36 -10.992 -10.276 -7.737 1.00 0.00 C ATOM 508 CG GLN A 36 -11.174 -11.504 -8.615 1.00 0.00 C ATOM 509 CD GLN A 36 -12.483 -11.487 -9.378 1.00 0.00 C ATOM 510 OE1 GLN A 36 -13.423 -10.783 -9.007 1.00 0.00 O ATOM 511 NE2 GLN A 36 -12.552 -12.264 -10.453 1.00 0.00 N ATOM 0 H GLN A 36 -9.993 -8.238 -6.427 1.00 0.00 H new ATOM 0 HA GLN A 36 -9.429 -11.134 -6.538 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.763 -10.273 -6.967 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.142 -9.382 -8.342 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.347 -11.566 -9.322 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.131 -12.399 -7.995 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.749 -12.831 -10.725 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.408 -12.293 -11.007 1.00 0.00 H new ATOM 520 N GLY A 37 -7.724 -11.050 -8.320 1.00 0.00 N ATOM 521 CA GLY A 37 -6.657 -10.980 -9.301 1.00 0.00 C ATOM 522 C GLY A 37 -7.074 -11.527 -10.652 1.00 0.00 C ATOM 523 O GLY A 37 -7.657 -12.607 -10.738 1.00 0.00 O ATOM 0 H GLY A 37 -7.788 -11.936 -7.818 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.340 -9.943 -9.415 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.795 -11.539 -8.936 1.00 0.00 H new ATOM 527 N GLU A 38 -6.777 -10.778 -11.709 1.00 0.00 N ATOM 528 CA GLU A 38 -7.128 -11.194 -13.062 1.00 0.00 C ATOM 529 C GLU A 38 -6.826 -12.675 -13.272 1.00 0.00 C ATOM 530 O GLU A 38 -7.727 -13.473 -13.525 1.00 0.00 O ATOM 531 CB GLU A 38 -6.366 -10.356 -14.091 1.00 0.00 C ATOM 532 CG GLU A 38 -6.488 -10.879 -15.512 1.00 0.00 C ATOM 533 CD GLU A 38 -7.881 -10.696 -16.084 1.00 0.00 C ATOM 534 OE1 GLU A 38 -8.471 -9.616 -15.875 1.00 0.00 O ATOM 535 OE2 GLU A 38 -8.380 -11.635 -16.739 1.00 0.00 O ATOM 0 H GLU A 38 -6.295 -9.881 -11.655 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.198 -11.037 -13.196 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.735 -9.331 -14.057 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.312 -10.325 -13.813 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.768 -10.364 -16.148 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.229 -11.938 -15.529 1.00 0.00 H new ATOM 542 N ASN A 39 -5.550 -13.033 -13.164 1.00 0.00 N ATOM 543 CA ASN A 39 -5.128 -14.418 -13.343 1.00 0.00 C ATOM 544 C ASN A 39 -5.957 -15.356 -12.472 1.00 0.00 C ATOM 545 O ASN A 39 -6.370 -16.427 -12.913 1.00 0.00 O ATOM 546 CB ASN A 39 -3.643 -14.568 -13.004 1.00 0.00 C ATOM 547 CG ASN A 39 -2.786 -13.521 -13.690 1.00 0.00 C ATOM 548 OD1 ASN A 39 -2.044 -12.787 -13.037 1.00 0.00 O ATOM 549 ND2 ASN A 39 -2.884 -13.450 -15.012 1.00 0.00 N ATOM 0 H ASN A 39 -4.791 -12.384 -12.954 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.285 -14.688 -14.387 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.510 -14.493 -11.925 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.304 -15.561 -13.299 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.331 -12.766 -15.528 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.513 -14.079 -15.511 1.00 0.00 H new ATOM 556 N GLY A 40 -6.197 -14.945 -11.230 1.00 0.00 N ATOM 557 CA GLY A 40 -6.976 -15.760 -10.316 1.00 0.00 C ATOM 558 C GLY A 40 -6.344 -15.855 -8.942 1.00 0.00 C ATOM 559 O GLY A 40 -6.387 -16.907 -8.304 1.00 0.00 O ATOM 0 H GLY A 40 -5.866 -14.062 -10.841 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.978 -15.340 -10.224 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.087 -16.762 -10.732 1.00 0.00 H new ATOM 563 N GLN A 41 -5.754 -14.755 -8.486 1.00 0.00 N ATOM 564 CA GLN A 41 -5.108 -14.721 -7.179 1.00 0.00 C ATOM 565 C GLN A 41 -5.478 -13.449 -6.422 1.00 0.00 C ATOM 566 O GLN A 41 -5.337 -12.343 -6.942 1.00 0.00 O ATOM 567 CB GLN A 41 -3.589 -14.812 -7.335 1.00 0.00 C ATOM 568 CG GLN A 41 -3.081 -16.234 -7.516 1.00 0.00 C ATOM 569 CD GLN A 41 -2.785 -16.920 -6.197 1.00 0.00 C ATOM 570 OE1 GLN A 41 -2.425 -16.272 -5.214 1.00 0.00 O ATOM 571 NE2 GLN A 41 -2.935 -18.239 -6.170 1.00 0.00 N ATOM 0 H GLN A 41 -5.710 -13.876 -9.002 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.459 -15.579 -6.605 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.284 -14.214 -8.193 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.115 -14.374 -6.456 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.823 -16.814 -8.064 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.176 -16.218 -8.124 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.235 -18.735 -7.009 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.750 -18.756 -5.310 1.00 0.00 H new ATOM 580 N MET A 42 -5.951 -13.616 -5.191 1.00 0.00 N ATOM 581 CA MET A 42 -6.340 -12.480 -4.363 1.00 0.00 C ATOM 582 C MET A 42 -5.186 -11.494 -4.215 1.00 0.00 C ATOM 583 O MET A 42 -4.035 -11.894 -4.038 1.00 0.00 O ATOM 584 CB MET A 42 -6.796 -12.961 -2.984 1.00 0.00 C ATOM 585 CG MET A 42 -8.140 -13.670 -3.001 1.00 0.00 C ATOM 586 SD MET A 42 -9.039 -13.493 -1.447 1.00 0.00 S ATOM 587 CE MET A 42 -10.295 -12.305 -1.916 1.00 0.00 C ATOM 0 H MET A 42 -6.074 -14.525 -4.746 1.00 0.00 H new ATOM 0 HA MET A 42 -7.168 -11.970 -4.855 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.043 -13.636 -2.577 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.854 -12.106 -2.311 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.746 -13.271 -3.814 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.985 -14.729 -3.208 1.00 0.00 H new ATOM 0 HE1 MET A 42 -10.933 -12.092 -1.058 1.00 0.00 H new ATOM 0 HE2 MET A 42 -9.818 -11.384 -2.251 1.00 0.00 H new ATOM 0 HE3 MET A 42 -10.900 -12.715 -2.725 1.00 0.00 H new ATOM 597 N MET A 43 -5.501 -10.205 -4.289 1.00 0.00 N ATOM 598 CA MET A 43 -4.489 -9.163 -4.163 1.00 0.00 C ATOM 599 C MET A 43 -4.494 -8.568 -2.758 1.00 0.00 C ATOM 600 O MET A 43 -5.480 -8.681 -2.030 1.00 0.00 O ATOM 601 CB MET A 43 -4.729 -8.061 -5.196 1.00 0.00 C ATOM 602 CG MET A 43 -5.087 -8.590 -6.576 1.00 0.00 C ATOM 603 SD MET A 43 -5.036 -7.309 -7.845 1.00 0.00 S ATOM 604 CE MET A 43 -3.395 -6.641 -7.586 1.00 0.00 C ATOM 0 H MET A 43 -6.449 -9.857 -4.436 1.00 0.00 H new ATOM 0 HA MET A 43 -3.514 -9.615 -4.344 1.00 0.00 H new ATOM 0 HB2 MET A 43 -5.532 -7.413 -4.844 1.00 0.00 H new ATOM 0 HB3 MET A 43 -3.833 -7.445 -5.273 1.00 0.00 H new ATOM 0 HG2 MET A 43 -4.397 -9.390 -6.845 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.085 -9.027 -6.546 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.016 -6.233 -8.523 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.438 -5.850 -6.837 1.00 0.00 H new ATOM 0 HE3 MET A 43 -2.730 -7.433 -7.240 1.00 0.00 H new ATOM 614 N SER A 44 -3.386 -7.936 -2.384 1.00 0.00 N ATOM 615 CA SER A 44 -3.262 -7.328 -1.064 1.00 0.00 C ATOM 616 C SER A 44 -3.022 -5.825 -1.180 1.00 0.00 C ATOM 617 O SER A 44 -2.024 -5.386 -1.753 1.00 0.00 O ATOM 618 CB SER A 44 -2.119 -7.980 -0.284 1.00 0.00 C ATOM 619 OG SER A 44 -1.979 -7.396 0.999 1.00 0.00 O ATOM 0 H SER A 44 -2.562 -7.832 -2.976 1.00 0.00 H new ATOM 0 HA SER A 44 -4.197 -7.489 -0.527 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.307 -9.049 -0.182 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.187 -7.872 -0.840 1.00 0.00 H new ATOM 0 HG SER A 44 -1.243 -7.831 1.478 1.00 0.00 H new ATOM 625 N CYS A 45 -3.944 -5.041 -0.631 1.00 0.00 N ATOM 626 CA CYS A 45 -3.835 -3.588 -0.672 1.00 0.00 C ATOM 627 C CYS A 45 -3.625 -3.019 0.729 1.00 0.00 C ATOM 628 O CYS A 45 -3.934 -3.669 1.729 1.00 0.00 O ATOM 629 CB CYS A 45 -5.092 -2.979 -1.298 1.00 0.00 C ATOM 630 SG CYS A 45 -4.798 -1.412 -2.179 1.00 0.00 S ATOM 0 H CYS A 45 -4.775 -5.388 -0.152 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.971 -3.330 -1.284 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.524 -3.699 -1.993 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.830 -2.810 -0.514 1.00 0.00 H new ATOM 635 N THR A 46 -3.096 -1.801 0.793 1.00 0.00 N ATOM 636 CA THR A 46 -2.843 -1.145 2.070 1.00 0.00 C ATOM 637 C THR A 46 -3.227 0.330 2.015 1.00 0.00 C ATOM 638 O THR A 46 -2.762 1.071 1.149 1.00 0.00 O ATOM 639 CB THR A 46 -1.363 -1.263 2.478 1.00 0.00 C ATOM 640 OG1 THR A 46 -0.976 -2.641 2.523 1.00 0.00 O ATOM 641 CG2 THR A 46 -1.123 -0.619 3.836 1.00 0.00 C ATOM 0 H THR A 46 -2.835 -1.249 -0.024 1.00 0.00 H new ATOM 0 HA THR A 46 -3.459 -1.651 2.814 1.00 0.00 H new ATOM 0 HB THR A 46 -0.761 -0.741 1.734 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.033 -2.708 2.782 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.071 -0.715 4.103 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.391 0.436 3.791 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.735 -1.117 4.588 1.00 0.00 H new ATOM 649 N CYS A 47 -4.078 0.749 2.946 1.00 0.00 N ATOM 650 CA CYS A 47 -4.525 2.136 3.004 1.00 0.00 C ATOM 651 C CYS A 47 -3.446 3.030 3.608 1.00 0.00 C ATOM 652 O CYS A 47 -3.484 3.353 4.795 1.00 0.00 O ATOM 653 CB CYS A 47 -5.811 2.244 3.826 1.00 0.00 C ATOM 654 SG CYS A 47 -6.907 3.607 3.316 1.00 0.00 S ATOM 0 H CYS A 47 -4.472 0.148 3.670 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.722 2.472 1.986 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -6.358 1.304 3.750 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.549 2.376 4.876 1.00 0.00 H new ATOM 659 N LEU A 48 -2.484 3.426 2.781 1.00 0.00 N ATOM 660 CA LEU A 48 -1.394 4.284 3.232 1.00 0.00 C ATOM 661 C LEU A 48 -1.933 5.549 3.891 1.00 0.00 C ATOM 662 O LEU A 48 -1.592 5.861 5.032 1.00 0.00 O ATOM 663 CB LEU A 48 -0.490 4.655 2.055 1.00 0.00 C ATOM 664 CG LEU A 48 0.113 3.484 1.277 1.00 0.00 C ATOM 665 CD1 LEU A 48 0.632 3.951 -0.074 1.00 0.00 C ATOM 666 CD2 LEU A 48 1.226 2.827 2.080 1.00 0.00 C ATOM 0 H LEU A 48 -2.437 3.167 1.796 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.812 3.732 3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.064 5.269 1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.325 5.274 2.430 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.670 2.745 1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.057 3.104 -0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.189 4.374 -0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.400 4.710 0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.643 1.996 1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.009 3.558 2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.824 2.456 3.023 1.00 0.00 H new ATOM 678 N GLY A 49 -2.779 6.275 3.166 1.00 0.00 N ATOM 679 CA GLY A 49 -3.354 7.496 3.698 1.00 0.00 C ATOM 680 C GLY A 49 -2.487 8.710 3.428 1.00 0.00 C ATOM 681 O GLY A 49 -1.988 9.344 4.357 1.00 0.00 O ATOM 0 H GLY A 49 -3.076 6.039 2.219 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.339 7.652 3.258 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.498 7.388 4.773 1.00 0.00 H new ATOM 685 N ASN A 50 -2.305 9.034 2.152 1.00 0.00 N ATOM 686 CA ASN A 50 -1.490 10.179 1.763 1.00 0.00 C ATOM 687 C ASN A 50 -2.287 11.143 0.891 1.00 0.00 C ATOM 688 O ASN A 50 -2.469 12.309 1.241 1.00 0.00 O ATOM 689 CB ASN A 50 -0.240 9.711 1.014 1.00 0.00 C ATOM 690 CG ASN A 50 0.359 8.455 1.617 1.00 0.00 C ATOM 691 OD1 ASN A 50 0.689 8.419 2.803 1.00 0.00 O ATOM 692 ND2 ASN A 50 0.503 7.417 0.801 1.00 0.00 N ATOM 0 H ASN A 50 -2.711 8.520 1.370 1.00 0.00 H new ATOM 0 HA ASN A 50 -1.188 10.703 2.670 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.494 9.524 -0.030 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.505 10.506 1.024 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.901 6.545 1.150 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.216 7.492 -0.175 1.00 0.00 H new ATOM 699 N GLY A 51 -2.763 10.648 -0.248 1.00 0.00 N ATOM 700 CA GLY A 51 -3.536 11.479 -1.153 1.00 0.00 C ATOM 701 C GLY A 51 -5.017 11.160 -1.110 1.00 0.00 C ATOM 702 O GLY A 51 -5.450 10.117 -1.600 1.00 0.00 O ATOM 0 H GLY A 51 -2.627 9.686 -0.560 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.386 12.528 -0.896 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.168 11.344 -2.170 1.00 0.00 H new ATOM 706 N LYS A 52 -5.798 12.059 -0.519 1.00 0.00 N ATOM 707 CA LYS A 52 -7.239 11.869 -0.413 1.00 0.00 C ATOM 708 C LYS A 52 -7.578 10.404 -0.154 1.00 0.00 C ATOM 709 O LYS A 52 -8.642 9.925 -0.541 1.00 0.00 O ATOM 710 CB LYS A 52 -7.933 12.346 -1.691 1.00 0.00 C ATOM 711 CG LYS A 52 -7.634 11.481 -2.903 1.00 0.00 C ATOM 712 CD LYS A 52 -8.245 12.063 -4.167 1.00 0.00 C ATOM 713 CE LYS A 52 -8.284 11.038 -5.290 1.00 0.00 C ATOM 714 NZ LYS A 52 -9.297 9.976 -5.037 1.00 0.00 N ATOM 0 H LYS A 52 -5.456 12.927 -0.106 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.597 12.461 0.430 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.010 12.364 -1.525 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.625 13.370 -1.901 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.555 11.389 -3.028 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.023 10.476 -2.739 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.256 12.412 -3.956 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.668 12.931 -4.485 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.510 11.539 -6.231 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.300 10.582 -5.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.488 9.461 -5.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.934 9.314 -4.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.177 10.410 -4.692 1.00 0.00 H new ATOM 728 N GLY A 53 -6.664 9.698 0.506 1.00 0.00 N ATOM 729 CA GLY A 53 -6.885 8.296 0.806 1.00 0.00 C ATOM 730 C GLY A 53 -6.193 7.375 -0.180 1.00 0.00 C ATOM 731 O GLY A 53 -6.734 6.335 -0.552 1.00 0.00 O ATOM 0 H GLY A 53 -5.775 10.072 0.838 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.525 8.082 1.812 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.956 8.091 0.800 1.00 0.00 H new ATOM 735 N GLU A 54 -4.993 7.760 -0.604 1.00 0.00 N ATOM 736 CA GLU A 54 -4.228 6.962 -1.555 1.00 0.00 C ATOM 737 C GLU A 54 -4.055 5.533 -1.050 1.00 0.00 C ATOM 738 O GLU A 54 -3.898 5.301 0.149 1.00 0.00 O ATOM 739 CB GLU A 54 -2.858 7.597 -1.802 1.00 0.00 C ATOM 740 CG GLU A 54 -1.965 6.781 -2.720 1.00 0.00 C ATOM 741 CD GLU A 54 -0.893 7.619 -3.389 1.00 0.00 C ATOM 742 OE1 GLU A 54 -1.239 8.668 -3.972 1.00 0.00 O ATOM 743 OE2 GLU A 54 0.291 7.227 -3.329 1.00 0.00 O ATOM 0 H GLU A 54 -4.530 8.618 -0.304 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.781 6.933 -2.494 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.999 8.588 -2.233 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.353 7.734 -0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.492 5.984 -2.146 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.577 6.303 -3.485 1.00 0.00 H new ATOM 750 N PHE A 55 -4.084 4.577 -1.973 1.00 0.00 N ATOM 751 CA PHE A 55 -3.932 3.170 -1.622 1.00 0.00 C ATOM 752 C PHE A 55 -3.220 2.406 -2.735 1.00 0.00 C ATOM 753 O PHE A 55 -3.420 2.680 -3.919 1.00 0.00 O ATOM 754 CB PHE A 55 -5.299 2.540 -1.349 1.00 0.00 C ATOM 755 CG PHE A 55 -6.259 2.669 -2.497 1.00 0.00 C ATOM 756 CD1 PHE A 55 -6.960 3.846 -2.702 1.00 0.00 C ATOM 757 CD2 PHE A 55 -6.460 1.613 -3.372 1.00 0.00 C ATOM 758 CE1 PHE A 55 -7.844 3.969 -3.758 1.00 0.00 C ATOM 759 CE2 PHE A 55 -7.342 1.730 -4.429 1.00 0.00 C ATOM 760 CZ PHE A 55 -8.036 2.908 -4.622 1.00 0.00 C ATOM 0 H PHE A 55 -4.211 4.751 -2.970 1.00 0.00 H new ATOM 0 HA PHE A 55 -3.325 3.110 -0.718 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.163 1.484 -1.116 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.736 3.007 -0.466 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.814 4.678 -2.029 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.921 0.688 -3.226 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.383 4.893 -3.907 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.489 0.900 -5.104 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.727 3.000 -5.447 1.00 0.00 H new ATOM 770 N LYS A 56 -2.387 1.447 -2.347 1.00 0.00 N ATOM 771 CA LYS A 56 -1.645 0.641 -3.309 1.00 0.00 C ATOM 772 C LYS A 56 -1.982 -0.838 -3.155 1.00 0.00 C ATOM 773 O LYS A 56 -1.914 -1.390 -2.056 1.00 0.00 O ATOM 774 CB LYS A 56 -0.140 0.853 -3.130 1.00 0.00 C ATOM 775 CG LYS A 56 0.376 0.426 -1.767 1.00 0.00 C ATOM 776 CD LYS A 56 1.886 0.566 -1.673 1.00 0.00 C ATOM 777 CE LYS A 56 2.337 0.796 -0.239 1.00 0.00 C ATOM 778 NZ LYS A 56 3.810 0.637 -0.088 1.00 0.00 N ATOM 0 H LYS A 56 -2.208 1.209 -1.371 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.934 0.959 -4.311 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.391 0.296 -3.901 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.091 1.907 -3.283 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.095 1.031 -0.993 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.093 -0.610 -1.578 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.361 -0.334 -2.065 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.215 1.397 -2.297 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.046 1.798 0.077 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.827 0.093 0.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.077 0.802 0.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.085 -0.327 -0.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.298 1.325 -0.697 1.00 0.00 H new ATOM 792 N CYS A 57 -2.344 -1.476 -4.263 1.00 0.00 N ATOM 793 CA CYS A 57 -2.691 -2.892 -4.252 1.00 0.00 C ATOM 794 C CYS A 57 -1.754 -3.689 -5.156 1.00 0.00 C ATOM 795 O CYS A 57 -1.714 -3.475 -6.368 1.00 0.00 O ATOM 796 CB CYS A 57 -4.140 -3.087 -4.703 1.00 0.00 C ATOM 797 SG CYS A 57 -5.286 -1.807 -4.098 1.00 0.00 S ATOM 0 H CYS A 57 -2.405 -1.034 -5.180 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.582 -3.259 -3.231 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.171 -3.102 -5.792 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.488 -4.062 -4.361 1.00 0.00 H new ATOM 802 N ASP A 58 -1.003 -4.607 -4.558 1.00 0.00 N ATOM 803 CA ASP A 58 -0.067 -5.436 -5.308 1.00 0.00 C ATOM 804 C ASP A 58 -0.167 -6.896 -4.874 1.00 0.00 C ATOM 805 O ASP A 58 -0.552 -7.209 -3.748 1.00 0.00 O ATOM 806 CB ASP A 58 1.363 -4.931 -5.116 1.00 0.00 C ATOM 807 CG ASP A 58 1.731 -4.775 -3.653 1.00 0.00 C ATOM 808 OD1 ASP A 58 1.194 -5.538 -2.823 1.00 0.00 O ATOM 809 OD2 ASP A 58 2.554 -3.891 -3.339 1.00 0.00 O ATOM 0 H ASP A 58 -1.024 -4.796 -3.556 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.328 -5.370 -6.364 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.057 -5.625 -5.590 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.477 -3.972 -5.621 1.00 0.00 H new ATOM 814 N PRO A 59 0.187 -7.810 -5.789 1.00 0.00 N ATOM 815 CA PRO A 59 0.146 -9.252 -5.524 1.00 0.00 C ATOM 816 C PRO A 59 1.215 -9.689 -4.529 1.00 0.00 C ATOM 817 O PRO A 59 2.411 -9.619 -4.817 1.00 0.00 O ATOM 818 CB PRO A 59 0.408 -9.872 -6.899 1.00 0.00 C ATOM 819 CG PRO A 59 1.170 -8.833 -7.645 1.00 0.00 C ATOM 820 CD PRO A 59 0.656 -7.508 -7.152 1.00 0.00 C ATOM 0 HA PRO A 59 -0.800 -9.558 -5.076 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.979 -10.797 -6.814 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -0.525 -10.119 -7.406 1.00 0.00 H new ATOM 0 HG2 PRO A 59 2.240 -8.928 -7.463 1.00 0.00 H new ATOM 0 HG3 PRO A 59 1.019 -8.935 -8.720 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.439 -6.749 -7.149 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -0.151 -7.131 -7.780 1.00 0.00 H new ATOM 828 N HIS A 60 0.778 -10.142 -3.358 1.00 0.00 N ATOM 829 CA HIS A 60 1.699 -10.592 -2.321 1.00 0.00 C ATOM 830 C HIS A 60 1.896 -12.104 -2.388 1.00 0.00 C ATOM 831 O HIS A 60 0.929 -12.862 -2.451 1.00 0.00 O ATOM 832 CB HIS A 60 1.178 -10.195 -0.939 1.00 0.00 C ATOM 833 CG HIS A 60 -0.005 -10.997 -0.493 1.00 0.00 C ATOM 834 ND1 HIS A 60 -0.266 -11.280 0.832 1.00 0.00 N ATOM 835 CD2 HIS A 60 -1.002 -11.575 -1.203 1.00 0.00 C ATOM 836 CE1 HIS A 60 -1.371 -11.999 0.916 1.00 0.00 C ATOM 837 NE2 HIS A 60 -1.838 -12.192 -0.304 1.00 0.00 N ATOM 0 H HIS A 60 -0.208 -10.207 -3.104 1.00 0.00 H new ATOM 0 HA HIS A 60 2.662 -10.110 -2.491 1.00 0.00 H new ATOM 0 HB2 HIS A 60 1.980 -10.310 -0.210 1.00 0.00 H new ATOM 0 HB3 HIS A 60 0.907 -9.139 -0.951 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.119 -11.555 -2.276 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -1.817 -12.367 1.828 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -2.682 -12.714 -0.540 1.00 0.00 H new ATOM 846 N GLU A 61 3.154 -12.533 -2.375 1.00 0.00 N ATOM 847 CA GLU A 61 3.477 -13.954 -2.437 1.00 0.00 C ATOM 848 C GLU A 61 4.501 -14.326 -1.368 1.00 0.00 C ATOM 849 O GLU A 61 5.703 -14.139 -1.554 1.00 0.00 O ATOM 850 CB GLU A 61 4.013 -14.318 -3.822 1.00 0.00 C ATOM 851 CG GLU A 61 4.542 -15.740 -3.916 1.00 0.00 C ATOM 852 CD GLU A 61 3.440 -16.779 -3.844 1.00 0.00 C ATOM 853 OE1 GLU A 61 2.657 -16.748 -2.872 1.00 0.00 O ATOM 854 OE2 GLU A 61 3.361 -17.622 -4.762 1.00 0.00 O ATOM 0 H GLU A 61 3.966 -11.918 -2.322 1.00 0.00 H new ATOM 0 HA GLU A 61 2.562 -14.517 -2.251 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.218 -14.186 -4.556 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.811 -13.624 -4.087 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.088 -15.859 -4.852 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.253 -15.913 -3.108 1.00 0.00 H new ATOM 861 N ALA A 62 4.015 -14.853 -0.249 1.00 0.00 N ATOM 862 CA ALA A 62 4.888 -15.252 0.848 1.00 0.00 C ATOM 863 C ALA A 62 6.178 -15.874 0.325 1.00 0.00 C ATOM 864 O ALA A 62 6.151 -16.775 -0.514 1.00 0.00 O ATOM 865 CB ALA A 62 4.166 -16.226 1.769 1.00 0.00 C ATOM 0 H ALA A 62 3.022 -15.013 -0.078 1.00 0.00 H new ATOM 0 HA ALA A 62 5.150 -14.358 1.415 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.829 -16.516 2.584 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.276 -15.748 2.178 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.875 -17.112 1.205 1.00 0.00 H new ATOM 871 N THR A 63 7.310 -15.388 0.826 1.00 0.00 N ATOM 872 CA THR A 63 8.611 -15.895 0.408 1.00 0.00 C ATOM 873 C THR A 63 9.731 -15.293 1.249 1.00 0.00 C ATOM 874 O THR A 63 9.641 -14.147 1.691 1.00 0.00 O ATOM 875 CB THR A 63 8.880 -15.592 -1.078 1.00 0.00 C ATOM 876 OG1 THR A 63 10.128 -16.170 -1.477 1.00 0.00 O ATOM 877 CG2 THR A 63 8.907 -14.092 -1.329 1.00 0.00 C ATOM 0 H THR A 63 7.352 -14.644 1.522 1.00 0.00 H new ATOM 0 HA THR A 63 8.592 -16.975 0.553 1.00 0.00 H new ATOM 0 HB THR A 63 8.073 -16.028 -1.667 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.291 -15.975 -2.423 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.099 -13.903 -2.385 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.946 -13.659 -1.052 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.696 -13.637 -0.730 1.00 0.00 H new ATOM 885 N CYS A 64 10.785 -16.071 1.465 1.00 0.00 N ATOM 886 CA CYS A 64 11.924 -15.614 2.253 1.00 0.00 C ATOM 887 C CYS A 64 13.027 -15.072 1.351 1.00 0.00 C ATOM 888 O CYS A 64 13.579 -15.797 0.523 1.00 0.00 O ATOM 889 CB CYS A 64 12.467 -16.757 3.113 1.00 0.00 C ATOM 890 SG CYS A 64 11.594 -16.981 4.680 1.00 0.00 S ATOM 0 H CYS A 64 10.875 -17.021 1.106 1.00 0.00 H new ATOM 0 HA CYS A 64 11.584 -14.809 2.904 1.00 0.00 H new ATOM 0 HB2 CYS A 64 12.412 -17.684 2.543 1.00 0.00 H new ATOM 0 HB3 CYS A 64 13.521 -16.573 3.320 1.00 0.00 H new ATOM 0 HG CYS A 64 12.124 -17.971 5.334 1.00 0.00 H new ATOM 896 N TYR A 65 13.343 -13.792 1.515 1.00 0.00 N ATOM 897 CA TYR A 65 14.377 -13.150 0.712 1.00 0.00 C ATOM 898 C TYR A 65 15.765 -13.449 1.272 1.00 0.00 C ATOM 899 O TYR A 65 16.505 -12.539 1.644 1.00 0.00 O ATOM 900 CB TYR A 65 14.150 -11.639 0.662 1.00 0.00 C ATOM 901 CG TYR A 65 14.641 -10.994 -0.614 1.00 0.00 C ATOM 902 CD1 TYR A 65 15.994 -10.977 -0.931 1.00 0.00 C ATOM 903 CD2 TYR A 65 13.753 -10.402 -1.503 1.00 0.00 C ATOM 904 CE1 TYR A 65 16.447 -10.389 -2.096 1.00 0.00 C ATOM 905 CE2 TYR A 65 14.197 -9.812 -2.671 1.00 0.00 C ATOM 906 CZ TYR A 65 15.545 -9.808 -2.962 1.00 0.00 C ATOM 907 OH TYR A 65 15.992 -9.221 -4.124 1.00 0.00 O ATOM 0 H TYR A 65 12.898 -13.178 2.197 1.00 0.00 H new ATOM 0 HA TYR A 65 14.318 -13.552 -0.299 1.00 0.00 H new ATOM 0 HB2 TYR A 65 13.085 -11.436 0.775 1.00 0.00 H new ATOM 0 HB3 TYR A 65 14.654 -11.176 1.510 1.00 0.00 H new ATOM 0 HD1 TYR A 65 16.703 -11.431 -0.255 1.00 0.00 H new ATOM 0 HD2 TYR A 65 12.697 -10.403 -1.277 1.00 0.00 H new ATOM 0 HE1 TYR A 65 17.502 -10.384 -2.327 1.00 0.00 H new ATOM 0 HE2 TYR A 65 13.493 -9.357 -3.352 1.00 0.00 H new ATOM 0 HH TYR A 65 15.229 -8.860 -4.622 1.00 0.00 H new ATOM 917 N ASP A 66 16.109 -14.731 1.328 1.00 0.00 N ATOM 918 CA ASP A 66 17.408 -15.152 1.840 1.00 0.00 C ATOM 919 C ASP A 66 18.398 -15.369 0.700 1.00 0.00 C ATOM 920 O ASP A 66 18.021 -15.806 -0.388 1.00 0.00 O ATOM 921 CB ASP A 66 17.266 -16.435 2.659 1.00 0.00 C ATOM 922 CG ASP A 66 18.391 -16.612 3.660 1.00 0.00 C ATOM 923 OD1 ASP A 66 19.507 -16.979 3.238 1.00 0.00 O ATOM 924 OD2 ASP A 66 18.155 -16.383 4.865 1.00 0.00 O ATOM 0 H ASP A 66 15.507 -15.496 1.025 1.00 0.00 H new ATOM 0 HA ASP A 66 17.791 -14.360 2.483 1.00 0.00 H new ATOM 0 HB2 ASP A 66 16.313 -16.421 3.187 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.245 -17.292 1.986 1.00 0.00 H new ATOM 929 N ASP A 67 19.664 -15.058 0.955 1.00 0.00 N ATOM 930 CA ASP A 67 20.709 -15.219 -0.050 1.00 0.00 C ATOM 931 C ASP A 67 21.466 -16.527 0.158 1.00 0.00 C ATOM 932 O ASP A 67 22.025 -16.769 1.226 1.00 0.00 O ATOM 933 CB ASP A 67 21.681 -14.039 0.001 1.00 0.00 C ATOM 934 CG ASP A 67 22.622 -14.013 -1.187 1.00 0.00 C ATOM 935 OD1 ASP A 67 23.316 -15.026 -1.417 1.00 0.00 O ATOM 936 OD2 ASP A 67 22.664 -12.981 -1.888 1.00 0.00 O ATOM 0 H ASP A 67 19.992 -14.693 1.849 1.00 0.00 H new ATOM 0 HA ASP A 67 20.235 -15.247 -1.031 1.00 0.00 H new ATOM 0 HB2 ASP A 67 21.116 -13.108 0.034 1.00 0.00 H new ATOM 0 HB3 ASP A 67 22.263 -14.091 0.921 1.00 0.00 H new ATOM 941 N GLY A 68 21.478 -17.368 -0.872 1.00 0.00 N ATOM 942 CA GLY A 68 22.168 -18.641 -0.782 1.00 0.00 C ATOM 943 C GLY A 68 22.505 -19.216 -2.143 1.00 0.00 C ATOM 944 O GLY A 68 23.388 -18.710 -2.837 1.00 0.00 O ATOM 0 H GLY A 68 21.022 -17.190 -1.767 1.00 0.00 H new ATOM 0 HA2 GLY A 68 23.086 -18.513 -0.208 1.00 0.00 H new ATOM 0 HA3 GLY A 68 21.546 -19.350 -0.236 1.00 0.00 H new TER 948 GLY A 68