USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 733 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 3 THR OG1 : rot 180:sc= -0.678 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 137:sc= 0.595 USER MOD Single : A 10 GLN : amide:sc= -0.141 K(o=-0.14,f=-2.6!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.814 K(o=-0.81,f=-5.1!) USER MOD Single : A 38 ASN : amide:sc= -2.07 K(o=-2.1,f=-6.4!) USER MOD Single : A 39 MET CE :methyl -179:sc= -4.24 (180deg=-4.26!) USER MOD Single : A 43 HIS : no HD1:sc= -0.195 X(o=-0.2,f=-0.052) USER MOD Single : A 45 SER OG : rot 180:sc= 0.831 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -15:sc= -2.91! USER MOD Single : A 55 HIS : no HD1:sc= -1.14 X(o=-1.1,f=-1.1) USER MOD Single : A 63 SER OG : rot -168:sc= 1.13 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 66 GLN : amide:sc= -0.0827 X(o=-0.083,f=-0.41) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 151:sc= 0.472 (180deg=0.0815) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.355 USER MOD Single : A 75 ASN : amide:sc= 0.478 K(o=0.48,f=-0.88!) USER MOD Single : A 77 LYS NZ :NH3+ 144:sc= -0.3 (180deg=-1.26) USER MOD Single : A 80 LYS NZ :NH3+ -155:sc= -0.526 (180deg=-1.97) USER MOD Single : A 82 ASN : amide:sc= -0.262 X(o=-0.26,f=-0.004) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.438 X(o=-0.44,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N THR A 3 5.302 -2.997 -3.700 1.00 0.00 N ATOM 28 CA THR A 3 6.338 -2.821 -4.710 1.00 0.00 C ATOM 29 C THR A 3 7.729 -2.899 -4.090 1.00 0.00 C ATOM 30 O THR A 3 7.954 -2.475 -2.956 1.00 0.00 O ATOM 31 CB THR A 3 6.188 -1.473 -5.440 1.00 0.00 C ATOM 32 OG1 THR A 3 7.399 -1.155 -6.135 1.00 0.00 O ATOM 33 CG2 THR A 3 5.854 -0.360 -4.458 1.00 0.00 C ATOM 0 HA THR A 3 6.218 -3.630 -5.430 1.00 0.00 H new ATOM 0 HB THR A 3 5.371 -1.562 -6.156 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.295 -0.298 -6.598 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.753 0.582 -4.997 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.917 -0.591 -3.951 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.653 -0.273 -3.721 1.00 0.00 H new ATOM 41 N PRO A 4 8.686 -3.452 -4.850 1.00 0.00 N ATOM 42 CA PRO A 4 10.072 -3.597 -4.395 1.00 0.00 C ATOM 43 C PRO A 4 10.791 -2.256 -4.293 1.00 0.00 C ATOM 44 O PRO A 4 11.415 -1.952 -3.277 1.00 0.00 O ATOM 45 CB PRO A 4 10.712 -4.466 -5.481 1.00 0.00 C ATOM 46 CG PRO A 4 9.890 -4.217 -6.698 1.00 0.00 C ATOM 47 CD PRO A 4 8.488 -3.979 -6.211 1.00 0.00 C ATOM 0 HA PRO A 4 10.131 -4.028 -3.395 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.754 -4.192 -5.644 1.00 0.00 H new ATOM 0 HB3 PRO A 4 10.699 -5.520 -5.203 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.263 -3.354 -7.250 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.928 -5.070 -7.375 1.00 0.00 H new ATOM 0 HD2 PRO A 4 7.958 -3.268 -6.844 1.00 0.00 H new ATOM 0 HD3 PRO A 4 7.903 -4.899 -6.205 1.00 0.00 H new ATOM 55 N ARG A 5 10.699 -1.458 -5.352 1.00 0.00 N ATOM 56 CA ARG A 5 11.342 -0.150 -5.382 1.00 0.00 C ATOM 57 C ARG A 5 10.663 0.767 -6.394 1.00 0.00 C ATOM 58 O ARG A 5 10.267 0.331 -7.475 1.00 0.00 O ATOM 59 CB ARG A 5 12.826 -0.295 -5.725 1.00 0.00 C ATOM 60 CG ARG A 5 13.727 -0.391 -4.504 1.00 0.00 C ATOM 61 CD ARG A 5 14.308 -1.788 -4.348 1.00 0.00 C ATOM 62 NE ARG A 5 15.435 -1.811 -3.421 1.00 0.00 N ATOM 63 CZ ARG A 5 16.311 -2.808 -3.353 1.00 0.00 C ATOM 64 NH1 ARG A 5 16.189 -3.857 -4.155 1.00 0.00 N ATOM 65 NH2 ARG A 5 17.311 -2.757 -2.483 1.00 0.00 N ATOM 0 H ARG A 5 10.185 -1.695 -6.201 1.00 0.00 H new ATOM 0 HA ARG A 5 11.247 0.296 -4.392 1.00 0.00 H new ATOM 0 HB2 ARG A 5 12.963 -1.186 -6.338 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.136 0.558 -6.328 1.00 0.00 H new ATOM 0 HG2 ARG A 5 14.537 0.333 -4.590 1.00 0.00 H new ATOM 0 HG3 ARG A 5 13.160 -0.130 -3.611 1.00 0.00 H new ATOM 0 HD2 ARG A 5 13.532 -2.466 -3.992 1.00 0.00 H new ATOM 0 HD3 ARG A 5 14.632 -2.157 -5.321 1.00 0.00 H new ATOM 0 HE ARG A 5 15.557 -1.018 -2.791 1.00 0.00 H new ATOM 0 HH11 ARG A 5 15.422 -3.900 -4.826 1.00 0.00 H new ATOM 0 HH12 ARG A 5 16.862 -4.621 -4.101 1.00 0.00 H new ATOM 0 HH21 ARG A 5 17.409 -1.952 -1.865 1.00 0.00 H new ATOM 0 HH22 ARG A 5 17.982 -3.523 -2.432 1.00 0.00 H new ATOM 79 N PHE A 6 10.529 2.040 -6.035 1.00 0.00 N ATOM 80 CA PHE A 6 9.896 3.019 -6.910 1.00 0.00 C ATOM 81 C PHE A 6 10.357 4.433 -6.569 1.00 0.00 C ATOM 82 O PHE A 6 10.395 4.820 -5.401 1.00 0.00 O ATOM 83 CB PHE A 6 8.373 2.926 -6.797 1.00 0.00 C ATOM 84 CG PHE A 6 7.832 3.484 -5.511 1.00 0.00 C ATOM 85 CD1 PHE A 6 7.867 2.734 -4.347 1.00 0.00 C ATOM 86 CD2 PHE A 6 7.290 4.758 -5.467 1.00 0.00 C ATOM 87 CE1 PHE A 6 7.370 3.245 -3.162 1.00 0.00 C ATOM 88 CE2 PHE A 6 6.791 5.274 -4.286 1.00 0.00 C ATOM 89 CZ PHE A 6 6.832 4.517 -3.132 1.00 0.00 C ATOM 0 H PHE A 6 10.851 2.417 -5.144 1.00 0.00 H new ATOM 0 HA PHE A 6 10.192 2.797 -7.935 1.00 0.00 H new ATOM 0 HB2 PHE A 6 7.921 3.459 -7.634 1.00 0.00 H new ATOM 0 HB3 PHE A 6 8.073 1.882 -6.885 1.00 0.00 H new ATOM 0 HD1 PHE A 6 8.287 1.739 -4.365 1.00 0.00 H new ATOM 0 HD2 PHE A 6 7.257 5.355 -6.366 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.402 2.650 -2.261 1.00 0.00 H new ATOM 0 HE2 PHE A 6 6.369 6.268 -4.266 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.444 4.919 -2.208 1.00 0.00 H new ATOM 99 N SER A 7 10.708 5.199 -7.597 1.00 0.00 N ATOM 100 CA SER A 7 11.172 6.568 -7.407 1.00 0.00 C ATOM 101 C SER A 7 10.338 7.543 -8.233 1.00 0.00 C ATOM 102 O SER A 7 9.930 7.234 -9.352 1.00 0.00 O ATOM 103 CB SER A 7 12.647 6.688 -7.793 1.00 0.00 C ATOM 104 OG SER A 7 13.488 6.300 -6.721 1.00 0.00 O ATOM 0 H SER A 7 10.680 4.895 -8.570 1.00 0.00 H new ATOM 0 HA SER A 7 11.058 6.821 -6.353 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.850 6.064 -8.663 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.869 7.716 -8.079 1.00 0.00 H new ATOM 0 HG SER A 7 14.426 6.384 -6.994 1.00 0.00 H new ATOM 110 N ILE A 8 10.089 8.721 -7.671 1.00 0.00 N ATOM 111 CA ILE A 8 9.305 9.743 -8.354 1.00 0.00 C ATOM 112 C ILE A 8 10.169 10.943 -8.725 1.00 0.00 C ATOM 113 O ILE A 8 11.058 11.340 -7.970 1.00 0.00 O ATOM 114 CB ILE A 8 8.126 10.222 -7.486 1.00 0.00 C ATOM 115 CG1 ILE A 8 7.629 9.085 -6.591 1.00 0.00 C ATOM 116 CG2 ILE A 8 6.999 10.743 -8.365 1.00 0.00 C ATOM 117 CD1 ILE A 8 6.402 9.446 -5.782 1.00 0.00 C ATOM 0 H ILE A 8 10.419 8.991 -6.744 1.00 0.00 H new ATOM 0 HA ILE A 8 8.914 9.285 -9.263 1.00 0.00 H new ATOM 0 HB ILE A 8 8.470 11.037 -6.849 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.403 8.217 -7.211 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.429 8.792 -5.911 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.173 11.078 -7.737 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.361 11.578 -8.964 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.654 9.947 -9.024 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.105 8.594 -5.171 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.629 10.294 -5.136 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.587 9.711 -6.456 1.00 0.00 H new ATOM 129 N THR A 9 9.903 11.519 -9.893 1.00 0.00 N ATOM 130 CA THR A 9 10.655 12.674 -10.365 1.00 0.00 C ATOM 131 C THR A 9 9.722 13.810 -10.771 1.00 0.00 C ATOM 132 O THR A 9 8.622 13.572 -11.268 1.00 0.00 O ATOM 133 CB THR A 9 11.552 12.310 -11.563 1.00 0.00 C ATOM 134 OG1 THR A 9 12.042 10.972 -11.418 1.00 0.00 O ATOM 135 CG2 THR A 9 12.723 13.275 -11.675 1.00 0.00 C ATOM 0 H THR A 9 9.171 11.204 -10.530 1.00 0.00 H new ATOM 0 HA THR A 9 11.283 13.001 -9.536 1.00 0.00 H new ATOM 0 HB THR A 9 10.955 12.382 -12.472 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.991 10.510 -12.281 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.342 12.998 -12.528 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.347 14.289 -11.813 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.320 13.231 -10.764 1.00 0.00 H new ATOM 143 N GLN A 10 10.170 15.043 -10.556 1.00 0.00 N ATOM 144 CA GLN A 10 9.373 16.215 -10.900 1.00 0.00 C ATOM 145 C GLN A 10 10.012 16.989 -12.048 1.00 0.00 C ATOM 146 O GLN A 10 11.237 17.072 -12.148 1.00 0.00 O ATOM 147 CB GLN A 10 9.214 17.125 -9.681 1.00 0.00 C ATOM 148 CG GLN A 10 10.534 17.641 -9.131 1.00 0.00 C ATOM 149 CD GLN A 10 11.186 16.668 -8.169 1.00 0.00 C ATOM 150 OE1 GLN A 10 12.078 15.908 -8.546 1.00 0.00 O ATOM 151 NE2 GLN A 10 10.743 16.686 -6.917 1.00 0.00 N ATOM 0 H GLN A 10 11.079 15.256 -10.146 1.00 0.00 H new ATOM 0 HA GLN A 10 8.389 15.873 -11.220 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.586 17.974 -9.951 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.691 16.579 -8.896 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.215 17.839 -9.958 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.365 18.590 -8.623 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.002 17.333 -6.648 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.144 16.053 -6.225 1.00 0.00 H new ATOM 160 N ASP A 11 9.176 17.553 -12.912 1.00 0.00 N ATOM 161 CA ASP A 11 9.659 18.322 -14.054 1.00 0.00 C ATOM 162 C ASP A 11 8.965 19.678 -14.128 1.00 0.00 C ATOM 163 O ASP A 11 8.088 19.982 -13.320 1.00 0.00 O ATOM 164 CB ASP A 11 9.431 17.546 -15.352 1.00 0.00 C ATOM 165 CG ASP A 11 9.606 16.051 -15.171 1.00 0.00 C ATOM 166 OD1 ASP A 11 10.599 15.643 -14.533 1.00 0.00 O ATOM 167 OD2 ASP A 11 8.751 15.289 -15.669 1.00 0.00 O ATOM 0 H ASP A 11 8.160 17.493 -12.844 1.00 0.00 H new ATOM 0 HA ASP A 11 10.728 18.488 -13.923 1.00 0.00 H new ATOM 0 HB2 ASP A 11 8.426 17.749 -15.722 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.128 17.901 -16.111 1.00 0.00 H new ATOM 172 N GLU A 12 9.365 20.489 -15.103 1.00 0.00 N ATOM 173 CA GLU A 12 8.782 21.814 -15.281 1.00 0.00 C ATOM 174 C GLU A 12 7.613 21.767 -16.260 1.00 0.00 C ATOM 175 O GLU A 12 7.179 22.797 -16.775 1.00 0.00 O ATOM 176 CB GLU A 12 9.841 22.798 -15.781 1.00 0.00 C ATOM 177 CG GLU A 12 10.238 22.580 -17.232 1.00 0.00 C ATOM 178 CD GLU A 12 11.620 23.119 -17.546 1.00 0.00 C ATOM 179 OE1 GLU A 12 12.602 22.364 -17.380 1.00 0.00 O ATOM 180 OE2 GLU A 12 11.721 24.293 -17.956 1.00 0.00 O ATOM 0 H GLU A 12 10.089 20.252 -15.781 1.00 0.00 H new ATOM 0 HA GLU A 12 8.410 22.152 -14.314 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.464 23.814 -15.665 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.728 22.713 -15.154 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.208 21.514 -17.457 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.508 23.063 -17.881 1.00 0.00 H new ATOM 187 N GLU A 13 7.108 20.563 -16.512 1.00 0.00 N ATOM 188 CA GLU A 13 5.990 20.382 -17.431 1.00 0.00 C ATOM 189 C GLU A 13 5.051 19.286 -16.935 1.00 0.00 C ATOM 190 O GLU A 13 3.829 19.416 -17.016 1.00 0.00 O ATOM 191 CB GLU A 13 6.502 20.035 -18.830 1.00 0.00 C ATOM 192 CG GLU A 13 7.805 19.253 -18.826 1.00 0.00 C ATOM 193 CD GLU A 13 8.252 18.857 -20.219 1.00 0.00 C ATOM 194 OE1 GLU A 13 7.616 19.305 -21.196 1.00 0.00 O ATOM 195 OE2 GLU A 13 9.238 18.098 -20.333 1.00 0.00 O ATOM 0 H GLU A 13 7.455 19.700 -16.093 1.00 0.00 H new ATOM 0 HA GLU A 13 5.435 21.319 -17.477 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.741 19.454 -19.352 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.643 20.957 -19.395 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.583 19.854 -18.356 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.684 18.356 -18.219 1.00 0.00 H new ATOM 202 N PHE A 14 5.631 18.205 -16.422 1.00 0.00 N ATOM 203 CA PHE A 14 4.847 17.085 -15.915 1.00 0.00 C ATOM 204 C PHE A 14 5.640 16.290 -14.882 1.00 0.00 C ATOM 205 O PHE A 14 6.766 16.650 -14.538 1.00 0.00 O ATOM 206 CB PHE A 14 4.423 16.169 -17.065 1.00 0.00 C ATOM 207 CG PHE A 14 5.579 15.622 -17.853 1.00 0.00 C ATOM 208 CD1 PHE A 14 6.146 16.361 -18.878 1.00 0.00 C ATOM 209 CD2 PHE A 14 6.098 14.370 -17.568 1.00 0.00 C ATOM 210 CE1 PHE A 14 7.211 15.861 -19.605 1.00 0.00 C ATOM 211 CE2 PHE A 14 7.162 13.865 -18.291 1.00 0.00 C ATOM 212 CZ PHE A 14 7.718 14.611 -19.312 1.00 0.00 C ATOM 0 H PHE A 14 6.641 18.081 -16.347 1.00 0.00 H new ATOM 0 HA PHE A 14 3.956 17.487 -15.433 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.843 15.339 -16.663 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.765 16.722 -17.736 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.752 17.339 -19.112 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.666 13.782 -16.772 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.645 16.448 -20.401 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.558 12.888 -18.058 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.548 14.217 -19.880 1.00 0.00 H new ATOM 222 N ILE A 15 5.044 15.209 -14.391 1.00 0.00 N ATOM 223 CA ILE A 15 5.694 14.363 -13.399 1.00 0.00 C ATOM 224 C ILE A 15 6.194 13.065 -14.025 1.00 0.00 C ATOM 225 O ILE A 15 5.530 12.480 -14.881 1.00 0.00 O ATOM 226 CB ILE A 15 4.742 14.025 -12.236 1.00 0.00 C ATOM 227 CG1 ILE A 15 4.672 15.192 -11.250 1.00 0.00 C ATOM 228 CG2 ILE A 15 5.197 12.755 -11.531 1.00 0.00 C ATOM 229 CD1 ILE A 15 5.948 15.396 -10.462 1.00 0.00 C ATOM 0 H ILE A 15 4.112 14.899 -14.664 1.00 0.00 H new ATOM 0 HA ILE A 15 6.542 14.927 -13.011 1.00 0.00 H new ATOM 0 HB ILE A 15 3.744 13.855 -12.640 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.443 16.106 -11.797 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.849 15.021 -10.556 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.514 12.529 -10.712 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.200 11.927 -12.240 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.203 12.898 -11.136 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.825 16.240 -9.783 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.168 14.497 -9.887 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.771 15.598 -11.148 1.00 0.00 H new ATOM 241 N PHE A 16 7.369 12.619 -13.591 1.00 0.00 N ATOM 242 CA PHE A 16 7.958 11.390 -14.109 1.00 0.00 C ATOM 243 C PHE A 16 8.162 10.372 -12.990 1.00 0.00 C ATOM 244 O PHE A 16 9.171 10.401 -12.284 1.00 0.00 O ATOM 245 CB PHE A 16 9.294 11.688 -14.792 1.00 0.00 C ATOM 246 CG PHE A 16 10.148 10.469 -14.996 1.00 0.00 C ATOM 247 CD1 PHE A 16 9.632 9.341 -15.614 1.00 0.00 C ATOM 248 CD2 PHE A 16 11.466 10.451 -14.569 1.00 0.00 C ATOM 249 CE1 PHE A 16 10.416 8.218 -15.804 1.00 0.00 C ATOM 250 CE2 PHE A 16 12.254 9.331 -14.757 1.00 0.00 C ATOM 251 CZ PHE A 16 11.728 8.213 -15.373 1.00 0.00 C ATOM 0 H PHE A 16 7.931 13.090 -12.882 1.00 0.00 H new ATOM 0 HA PHE A 16 7.270 10.967 -14.841 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.103 12.154 -15.759 1.00 0.00 H new ATOM 0 HB3 PHE A 16 9.846 12.412 -14.193 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.606 9.339 -15.951 1.00 0.00 H new ATOM 0 HD2 PHE A 16 11.882 11.322 -14.084 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.003 7.346 -16.289 1.00 0.00 H new ATOM 0 HE2 PHE A 16 13.281 9.330 -14.422 1.00 0.00 H new ATOM 0 HZ PHE A 16 12.342 7.336 -15.518 1.00 0.00 H new ATOM 261 N LEU A 17 7.196 9.472 -12.834 1.00 0.00 N ATOM 262 CA LEU A 17 7.268 8.445 -11.802 1.00 0.00 C ATOM 263 C LEU A 17 7.794 7.133 -12.375 1.00 0.00 C ATOM 264 O LEU A 17 7.227 6.583 -13.320 1.00 0.00 O ATOM 265 CB LEU A 17 5.889 8.225 -11.177 1.00 0.00 C ATOM 266 CG LEU A 17 5.762 7.026 -10.236 1.00 0.00 C ATOM 267 CD1 LEU A 17 5.535 5.748 -11.028 1.00 0.00 C ATOM 268 CD2 LEU A 17 7.001 6.901 -9.361 1.00 0.00 C ATOM 0 H LEU A 17 6.355 9.434 -13.409 1.00 0.00 H new ATOM 0 HA LEU A 17 7.959 8.787 -11.032 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.614 9.124 -10.626 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.162 8.109 -11.981 1.00 0.00 H new ATOM 0 HG LEU A 17 4.900 7.186 -9.589 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.447 4.906 -10.342 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.618 5.839 -11.610 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.377 5.582 -11.700 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.893 6.043 -8.698 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.879 6.764 -9.992 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.119 7.807 -8.766 1.00 0.00 H new ATOM 280 N LYS A 18 8.881 6.633 -11.796 1.00 0.00 N ATOM 281 CA LYS A 18 9.483 5.384 -12.245 1.00 0.00 C ATOM 282 C LYS A 18 9.278 4.279 -11.214 1.00 0.00 C ATOM 283 O LYS A 18 9.354 4.521 -10.009 1.00 0.00 O ATOM 284 CB LYS A 18 10.977 5.580 -12.509 1.00 0.00 C ATOM 285 CG LYS A 18 11.841 5.410 -11.272 1.00 0.00 C ATOM 286 CD LYS A 18 13.306 5.675 -11.574 1.00 0.00 C ATOM 287 CE LYS A 18 13.535 7.115 -12.005 1.00 0.00 C ATOM 288 NZ LYS A 18 14.899 7.592 -11.643 1.00 0.00 N ATOM 0 H LYS A 18 9.363 7.075 -11.013 1.00 0.00 H new ATOM 0 HA LYS A 18 8.993 5.086 -13.172 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.300 4.867 -13.268 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.137 6.577 -12.919 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.500 6.092 -10.493 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.726 4.398 -10.883 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.906 5.459 -10.690 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.644 5.001 -12.361 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.395 7.198 -13.083 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.789 7.757 -11.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.016 8.578 -11.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.024 7.537 -10.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.611 6.995 -12.110 1.00 0.00 H new ATOM 302 N ILE A 19 9.021 3.067 -11.694 1.00 0.00 N ATOM 303 CA ILE A 19 8.809 1.926 -10.812 1.00 0.00 C ATOM 304 C ILE A 19 9.756 0.781 -11.158 1.00 0.00 C ATOM 305 O ILE A 19 9.692 0.216 -12.250 1.00 0.00 O ATOM 306 CB ILE A 19 7.358 1.418 -10.889 1.00 0.00 C ATOM 307 CG1 ILE A 19 6.382 2.596 -10.908 1.00 0.00 C ATOM 308 CG2 ILE A 19 7.058 0.493 -9.719 1.00 0.00 C ATOM 309 CD1 ILE A 19 5.796 2.874 -12.275 1.00 0.00 C ATOM 0 H ILE A 19 8.955 2.850 -12.688 1.00 0.00 H new ATOM 0 HA ILE A 19 9.012 2.269 -9.797 1.00 0.00 H new ATOM 0 HB ILE A 19 7.235 0.854 -11.814 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.571 2.397 -10.208 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.896 3.489 -10.554 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.028 0.142 -9.787 1.00 0.00 H new ATOM 0 HG22 ILE A 19 7.735 -0.361 -9.747 1.00 0.00 H new ATOM 0 HG23 ILE A 19 7.195 1.034 -8.783 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.114 3.722 -12.213 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.599 3.105 -12.975 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.253 1.996 -12.623 1.00 0.00 H new ATOM 321 N PHE A 20 10.633 0.443 -10.219 1.00 0.00 N ATOM 322 CA PHE A 20 11.593 -0.636 -10.423 1.00 0.00 C ATOM 323 C PHE A 20 10.921 -1.998 -10.277 1.00 0.00 C ATOM 324 O PHE A 20 10.311 -2.293 -9.249 1.00 0.00 O ATOM 325 CB PHE A 20 12.747 -0.515 -9.426 1.00 0.00 C ATOM 326 CG PHE A 20 13.484 0.791 -9.516 1.00 0.00 C ATOM 327 CD1 PHE A 20 14.432 0.999 -10.505 1.00 0.00 C ATOM 328 CD2 PHE A 20 13.230 1.809 -8.613 1.00 0.00 C ATOM 329 CE1 PHE A 20 15.112 2.199 -10.592 1.00 0.00 C ATOM 330 CE2 PHE A 20 13.906 3.012 -8.695 1.00 0.00 C ATOM 331 CZ PHE A 20 14.849 3.207 -9.685 1.00 0.00 C ATOM 0 H PHE A 20 10.699 0.900 -9.310 1.00 0.00 H new ATOM 0 HA PHE A 20 11.986 -0.552 -11.436 1.00 0.00 H new ATOM 0 HB2 PHE A 20 12.357 -0.634 -8.415 1.00 0.00 H new ATOM 0 HB3 PHE A 20 13.449 -1.331 -9.595 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.642 0.214 -11.216 1.00 0.00 H new ATOM 0 HD2 PHE A 20 12.495 1.662 -7.835 1.00 0.00 H new ATOM 0 HE1 PHE A 20 15.848 2.348 -11.368 1.00 0.00 H new ATOM 0 HE2 PHE A 20 13.697 3.799 -7.985 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.380 4.145 -9.750 1.00 0.00 H new ATOM 341 N ILE A 21 11.036 -2.821 -11.313 1.00 0.00 N ATOM 342 CA ILE A 21 10.440 -4.151 -11.301 1.00 0.00 C ATOM 343 C ILE A 21 11.271 -5.134 -12.119 1.00 0.00 C ATOM 344 O ILE A 21 12.199 -4.740 -12.825 1.00 0.00 O ATOM 345 CB ILE A 21 9.002 -4.129 -11.852 1.00 0.00 C ATOM 346 CG1 ILE A 21 8.999 -3.667 -13.311 1.00 0.00 C ATOM 347 CG2 ILE A 21 8.123 -3.224 -11.003 1.00 0.00 C ATOM 348 CD1 ILE A 21 7.662 -3.839 -13.997 1.00 0.00 C ATOM 0 H ILE A 21 11.536 -2.590 -12.171 1.00 0.00 H new ATOM 0 HA ILE A 21 10.417 -4.476 -10.261 1.00 0.00 H new ATOM 0 HB ILE A 21 8.597 -5.140 -11.809 1.00 0.00 H new ATOM 0 HG12 ILE A 21 9.286 -2.616 -13.351 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.755 -4.226 -13.862 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.110 -3.219 -11.405 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.104 -3.593 -9.977 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.524 -2.210 -11.017 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.734 -3.491 -15.027 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.382 -4.892 -13.989 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.905 -3.258 -13.470 1.00 0.00 H new ATOM 492 N LEU A 31 -2.868 -3.574 -16.923 1.00 0.00 N ATOM 493 CA LEU A 31 -2.145 -2.307 -16.890 1.00 0.00 C ATOM 494 C LEU A 31 -3.075 -1.140 -17.204 1.00 0.00 C ATOM 495 O LEU A 31 -3.632 -1.056 -18.298 1.00 0.00 O ATOM 496 CB LEU A 31 -0.986 -2.333 -17.889 1.00 0.00 C ATOM 497 CG LEU A 31 -0.196 -3.640 -17.967 1.00 0.00 C ATOM 498 CD1 LEU A 31 1.002 -3.486 -18.890 1.00 0.00 C ATOM 499 CD2 LEU A 31 0.250 -4.077 -16.579 1.00 0.00 C ATOM 0 HA LEU A 31 -1.748 -2.170 -15.884 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.382 -2.111 -18.880 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.295 -1.529 -17.635 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.847 -4.412 -18.377 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.552 -4.426 -18.933 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.659 -3.220 -19.890 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.655 -2.701 -18.510 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.811 -5.009 -16.654 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.884 -3.306 -16.141 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.625 -4.230 -15.947 1.00 0.00 H new ATOM 511 N GLU A 32 -3.236 -0.242 -16.237 1.00 0.00 N ATOM 512 CA GLU A 32 -4.099 0.921 -16.412 1.00 0.00 C ATOM 513 C GLU A 32 -3.990 1.863 -15.216 1.00 0.00 C ATOM 514 O GLU A 32 -4.819 1.825 -14.306 1.00 0.00 O ATOM 515 CB GLU A 32 -5.552 0.482 -16.599 1.00 0.00 C ATOM 516 CG GLU A 32 -6.421 1.527 -17.280 1.00 0.00 C ATOM 517 CD GLU A 32 -6.219 1.564 -18.782 1.00 0.00 C ATOM 518 OE1 GLU A 32 -5.863 0.515 -19.359 1.00 0.00 O ATOM 519 OE2 GLU A 32 -6.416 2.642 -19.381 1.00 0.00 O ATOM 0 H GLU A 32 -2.781 -0.297 -15.326 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.771 1.454 -17.304 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.573 -0.435 -17.188 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.979 0.245 -15.625 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.469 1.320 -17.063 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.197 2.509 -16.863 1.00 0.00 H new ATOM 526 N ILE A 33 -2.964 2.706 -15.226 1.00 0.00 N ATOM 527 CA ILE A 33 -2.747 3.658 -14.143 1.00 0.00 C ATOM 528 C ILE A 33 -3.696 4.846 -14.258 1.00 0.00 C ATOM 529 O ILE A 33 -3.840 5.437 -15.329 1.00 0.00 O ATOM 530 CB ILE A 33 -1.296 4.173 -14.129 1.00 0.00 C ATOM 531 CG1 ILE A 33 -0.316 3.001 -14.044 1.00 0.00 C ATOM 532 CG2 ILE A 33 -1.086 5.132 -12.966 1.00 0.00 C ATOM 533 CD1 ILE A 33 1.134 3.416 -14.164 1.00 0.00 C ATOM 0 H ILE A 33 -2.269 2.750 -15.972 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.944 3.128 -13.211 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.108 4.712 -15.058 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.461 2.485 -13.095 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.548 2.286 -14.834 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.056 5.488 -12.969 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.763 5.980 -13.067 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.289 4.616 -12.028 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.772 2.535 -14.095 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.294 3.905 -15.125 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.382 4.107 -13.359 1.00 0.00 H new ATOM 545 N ILE A 34 -4.339 5.192 -13.148 1.00 0.00 N ATOM 546 CA ILE A 34 -5.271 6.312 -13.123 1.00 0.00 C ATOM 547 C ILE A 34 -4.898 7.314 -12.036 1.00 0.00 C ATOM 548 O ILE A 34 -4.502 6.931 -10.935 1.00 0.00 O ATOM 549 CB ILE A 34 -6.717 5.836 -12.893 1.00 0.00 C ATOM 550 CG1 ILE A 34 -7.666 7.034 -12.819 1.00 0.00 C ATOM 551 CG2 ILE A 34 -6.805 5.004 -11.622 1.00 0.00 C ATOM 552 CD1 ILE A 34 -7.930 7.510 -11.408 1.00 0.00 C ATOM 0 H ILE A 34 -4.231 4.713 -12.254 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.208 6.797 -14.097 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.016 5.211 -13.734 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.246 7.856 -13.398 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.613 6.766 -13.287 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.833 4.675 -11.473 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.155 4.134 -11.711 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.490 5.607 -10.770 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.610 8.361 -11.432 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.379 6.703 -10.830 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.991 7.810 -10.943 1.00 0.00 H new ATOM 564 N ILE A 35 -5.030 8.598 -12.351 1.00 0.00 N ATOM 565 CA ILE A 35 -4.711 9.655 -11.399 1.00 0.00 C ATOM 566 C ILE A 35 -5.976 10.240 -10.782 1.00 0.00 C ATOM 567 O ILE A 35 -6.909 10.614 -11.492 1.00 0.00 O ATOM 568 CB ILE A 35 -3.907 10.787 -12.065 1.00 0.00 C ATOM 569 CG1 ILE A 35 -2.631 10.231 -12.701 1.00 0.00 C ATOM 570 CG2 ILE A 35 -3.570 11.867 -11.047 1.00 0.00 C ATOM 571 CD1 ILE A 35 -2.577 10.410 -14.202 1.00 0.00 C ATOM 0 H ILE A 35 -5.356 8.932 -13.258 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.104 9.201 -10.615 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.518 11.232 -12.850 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.767 10.723 -12.253 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.550 9.170 -12.467 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.002 12.660 -11.533 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.491 12.280 -10.636 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.975 11.435 -10.242 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.646 9.993 -14.585 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.421 9.895 -14.660 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.626 11.472 -14.444 1.00 0.00 H new ATOM 583 N GLN A 36 -5.999 10.317 -9.455 1.00 0.00 N ATOM 584 CA GLN A 36 -7.150 10.858 -8.742 1.00 0.00 C ATOM 585 C GLN A 36 -7.231 12.372 -8.908 1.00 0.00 C ATOM 586 O GLN A 36 -6.514 12.955 -9.720 1.00 0.00 O ATOM 587 CB GLN A 36 -7.071 10.500 -7.257 1.00 0.00 C ATOM 588 CG GLN A 36 -8.254 9.681 -6.765 1.00 0.00 C ATOM 589 CD GLN A 36 -9.585 10.246 -7.219 1.00 0.00 C ATOM 590 OE1 GLN A 36 -10.043 11.271 -6.712 1.00 0.00 O ATOM 591 NE2 GLN A 36 -10.214 9.580 -8.180 1.00 0.00 N ATOM 0 H GLN A 36 -5.234 10.012 -8.853 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.050 10.415 -9.168 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.153 9.942 -7.075 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.007 11.418 -6.673 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.157 8.657 -7.125 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.234 9.639 -5.676 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.798 8.735 -8.572 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.113 9.913 -8.527 1.00 0.00 H new ATOM 600 N GLU A 37 -8.109 13.001 -8.134 1.00 0.00 N ATOM 601 CA GLU A 37 -8.284 14.448 -8.197 1.00 0.00 C ATOM 602 C GLU A 37 -6.953 15.166 -7.996 1.00 0.00 C ATOM 603 O GLU A 37 -6.691 16.195 -8.616 1.00 0.00 O ATOM 604 CB GLU A 37 -9.289 14.909 -7.140 1.00 0.00 C ATOM 605 CG GLU A 37 -9.092 14.252 -5.784 1.00 0.00 C ATOM 606 CD GLU A 37 -9.465 15.166 -4.633 1.00 0.00 C ATOM 607 OE1 GLU A 37 -10.144 16.184 -4.881 1.00 0.00 O ATOM 608 OE2 GLU A 37 -9.077 14.863 -3.485 1.00 0.00 O ATOM 0 H GLU A 37 -8.710 12.532 -7.456 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.667 14.699 -9.186 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.212 15.990 -7.025 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.298 14.697 -7.494 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.695 13.345 -5.733 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.050 13.949 -5.679 1.00 0.00 H new ATOM 615 N ASN A 38 -6.115 14.614 -7.124 1.00 0.00 N ATOM 616 CA ASN A 38 -4.811 15.202 -6.839 1.00 0.00 C ATOM 617 C ASN A 38 -3.733 14.125 -6.768 1.00 0.00 C ATOM 618 O ASN A 38 -2.683 14.241 -7.399 1.00 0.00 O ATOM 619 CB ASN A 38 -4.856 15.982 -5.524 1.00 0.00 C ATOM 620 CG ASN A 38 -5.337 15.132 -4.364 1.00 0.00 C ATOM 621 OD1 ASN A 38 -6.531 14.866 -4.228 1.00 0.00 O ATOM 622 ND2 ASN A 38 -4.405 14.702 -3.520 1.00 0.00 N ATOM 0 H ASN A 38 -6.316 13.761 -6.603 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.563 15.886 -7.651 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.862 16.369 -5.300 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.515 16.843 -5.638 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.668 14.127 -2.720 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -3.427 14.947 -3.672 1.00 0.00 H new ATOM 629 N MET A 39 -4.001 13.077 -5.995 1.00 0.00 N ATOM 630 CA MET A 39 -3.054 11.978 -5.843 1.00 0.00 C ATOM 631 C MET A 39 -3.071 11.072 -7.070 1.00 0.00 C ATOM 632 O MET A 39 -3.909 11.231 -7.959 1.00 0.00 O ATOM 633 CB MET A 39 -3.382 11.165 -4.589 1.00 0.00 C ATOM 634 CG MET A 39 -4.187 9.908 -4.873 1.00 0.00 C ATOM 635 SD MET A 39 -4.878 9.173 -3.379 1.00 0.00 S ATOM 636 CE MET A 39 -3.403 8.983 -2.382 1.00 0.00 C ATOM 0 H MET A 39 -4.865 12.966 -5.465 1.00 0.00 H new ATOM 0 HA MET A 39 -2.055 12.403 -5.741 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.452 10.887 -4.093 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.938 11.794 -3.894 1.00 0.00 H new ATOM 0 HG2 MET A 39 -4.996 10.148 -5.563 1.00 0.00 H new ATOM 0 HG3 MET A 39 -3.549 9.178 -5.371 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.665 8.522 -1.429 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.688 8.350 -2.907 1.00 0.00 H new ATOM 0 HE3 MET A 39 -2.957 9.961 -2.202 1.00 0.00 H new ATOM 646 N ILE A 40 -2.143 10.123 -7.112 1.00 0.00 N ATOM 647 CA ILE A 40 -2.053 9.192 -8.230 1.00 0.00 C ATOM 648 C ILE A 40 -2.218 7.751 -7.759 1.00 0.00 C ATOM 649 O ILE A 40 -1.648 7.348 -6.745 1.00 0.00 O ATOM 650 CB ILE A 40 -0.708 9.327 -8.968 1.00 0.00 C ATOM 651 CG1 ILE A 40 -0.558 10.737 -9.545 1.00 0.00 C ATOM 652 CG2 ILE A 40 -0.602 8.284 -10.071 1.00 0.00 C ATOM 653 CD1 ILE A 40 0.819 11.016 -10.106 1.00 0.00 C ATOM 0 H ILE A 40 -1.442 9.978 -6.385 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.862 9.443 -8.916 1.00 0.00 H new ATOM 0 HB ILE A 40 0.099 9.158 -8.256 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.298 10.879 -10.332 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.778 11.466 -8.765 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.354 8.392 -10.583 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.670 7.287 -9.636 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.414 8.425 -10.784 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.853 12.033 -10.498 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.563 10.906 -9.317 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.035 10.311 -10.909 1.00 0.00 H new ATOM 665 N ILE A 41 -3.002 6.977 -8.504 1.00 0.00 N ATOM 666 CA ILE A 41 -3.240 5.580 -8.165 1.00 0.00 C ATOM 667 C ILE A 41 -2.525 4.649 -9.138 1.00 0.00 C ATOM 668 O ILE A 41 -2.777 4.679 -10.342 1.00 0.00 O ATOM 669 CB ILE A 41 -4.744 5.249 -8.166 1.00 0.00 C ATOM 670 CG1 ILE A 41 -5.486 6.143 -7.171 1.00 0.00 C ATOM 671 CG2 ILE A 41 -4.963 3.781 -7.834 1.00 0.00 C ATOM 672 CD1 ILE A 41 -4.964 6.034 -5.755 1.00 0.00 C ATOM 0 H ILE A 41 -3.483 7.295 -9.346 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.843 5.427 -7.161 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.142 5.439 -9.163 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.409 7.180 -7.499 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.544 5.883 -7.180 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.031 3.562 -7.839 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.463 3.161 -8.578 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.553 3.566 -6.847 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.536 6.695 -5.104 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.066 5.006 -5.408 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.913 6.323 -5.731 1.00 0.00 H new ATOM 684 N PHE A 42 -1.632 3.820 -8.606 1.00 0.00 N ATOM 685 CA PHE A 42 -0.880 2.878 -9.427 1.00 0.00 C ATOM 686 C PHE A 42 -1.518 1.492 -9.387 1.00 0.00 C ATOM 687 O PHE A 42 -1.356 0.749 -8.419 1.00 0.00 O ATOM 688 CB PHE A 42 0.571 2.797 -8.950 1.00 0.00 C ATOM 689 CG PHE A 42 1.364 1.712 -9.620 1.00 0.00 C ATOM 690 CD1 PHE A 42 1.949 1.927 -10.857 1.00 0.00 C ATOM 691 CD2 PHE A 42 1.524 0.477 -9.012 1.00 0.00 C ATOM 692 CE1 PHE A 42 2.678 0.929 -11.476 1.00 0.00 C ATOM 693 CE2 PHE A 42 2.252 -0.525 -9.627 1.00 0.00 C ATOM 694 CZ PHE A 42 2.831 -0.298 -10.860 1.00 0.00 C ATOM 0 H PHE A 42 -1.412 3.782 -7.611 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.897 3.238 -10.456 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.058 3.755 -9.130 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.582 2.631 -7.873 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.834 2.885 -11.343 1.00 0.00 H new ATOM 0 HD2 PHE A 42 1.075 0.295 -8.047 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.128 1.108 -12.441 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.368 -1.484 -9.144 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.402 -1.078 -11.342 1.00 0.00 H new ATOM 704 N HIS A 43 -2.244 1.151 -10.447 1.00 0.00 N ATOM 705 CA HIS A 43 -2.907 -0.146 -10.534 1.00 0.00 C ATOM 706 C HIS A 43 -2.096 -1.114 -11.391 1.00 0.00 C ATOM 707 O HIS A 43 -2.280 -2.330 -11.315 1.00 0.00 O ATOM 708 CB HIS A 43 -4.312 0.014 -11.116 1.00 0.00 C ATOM 709 CG HIS A 43 -5.324 -0.898 -10.495 1.00 0.00 C ATOM 710 ND1 HIS A 43 -6.679 -0.787 -10.726 1.00 0.00 N ATOM 711 CD2 HIS A 43 -5.173 -1.944 -9.649 1.00 0.00 C ATOM 712 CE1 HIS A 43 -7.318 -1.723 -10.047 1.00 0.00 C ATOM 713 NE2 HIS A 43 -6.427 -2.439 -9.385 1.00 0.00 N ATOM 0 H HIS A 43 -2.388 1.754 -11.257 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.983 -0.556 -9.527 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.636 1.046 -10.984 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.276 -0.174 -12.189 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.240 -2.319 -9.255 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.387 -1.877 -10.035 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.636 -3.231 -8.777 1.00 0.00 H new ATOM 721 N LEU A 44 -1.200 -0.568 -12.205 1.00 0.00 N ATOM 722 CA LEU A 44 -0.361 -1.383 -13.077 1.00 0.00 C ATOM 723 C LEU A 44 0.344 -2.479 -12.284 1.00 0.00 C ATOM 724 O LEU A 44 0.545 -2.354 -11.076 1.00 0.00 O ATOM 725 CB LEU A 44 0.672 -0.507 -13.788 1.00 0.00 C ATOM 726 CG LEU A 44 0.902 -0.810 -15.269 1.00 0.00 C ATOM 727 CD1 LEU A 44 1.094 0.479 -16.053 1.00 0.00 C ATOM 728 CD2 LEU A 44 2.102 -1.728 -15.446 1.00 0.00 C ATOM 0 H LEU A 44 -1.035 0.436 -12.280 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.003 -1.854 -13.822 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.363 0.534 -13.694 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.624 -0.605 -13.265 1.00 0.00 H new ATOM 0 HG LEU A 44 0.020 -1.320 -15.657 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.256 0.244 -17.105 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.205 1.101 -15.953 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.959 1.016 -15.663 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.250 -1.933 -16.506 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.992 -1.246 -15.042 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.925 -2.664 -14.917 1.00 0.00 H new ATOM 740 N SER A 45 0.720 -3.552 -12.973 1.00 0.00 N ATOM 741 CA SER A 45 1.401 -4.671 -12.334 1.00 0.00 C ATOM 742 C SER A 45 0.503 -5.331 -11.292 1.00 0.00 C ATOM 743 O SER A 45 -0.528 -4.790 -10.892 1.00 0.00 O ATOM 744 CB SER A 45 2.699 -4.197 -11.677 1.00 0.00 C ATOM 745 OG SER A 45 2.665 -4.401 -10.275 1.00 0.00 O ATOM 0 H SER A 45 0.564 -3.669 -13.974 1.00 0.00 H new ATOM 0 HA SER A 45 1.638 -5.407 -13.103 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.545 -4.735 -12.106 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.853 -3.139 -11.890 1.00 0.00 H new ATOM 0 HG SER A 45 3.506 -4.091 -9.879 1.00 0.00 H new ATOM 751 N PRO A 46 0.902 -6.530 -10.843 1.00 0.00 N ATOM 752 CA PRO A 46 0.148 -7.291 -9.842 1.00 0.00 C ATOM 753 C PRO A 46 0.202 -6.646 -8.461 1.00 0.00 C ATOM 754 O PRO A 46 -0.458 -7.101 -7.527 1.00 0.00 O ATOM 755 CB PRO A 46 0.852 -8.650 -9.825 1.00 0.00 C ATOM 756 CG PRO A 46 2.238 -8.364 -10.289 1.00 0.00 C ATOM 757 CD PRO A 46 2.120 -7.235 -11.276 1.00 0.00 C ATOM 0 HA PRO A 46 -0.912 -7.348 -10.088 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.851 -9.084 -8.825 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.353 -9.362 -10.482 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.880 -8.086 -9.453 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.683 -9.244 -10.754 1.00 0.00 H new ATOM 0 HD2 PRO A 46 2.993 -6.583 -11.247 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.030 -7.603 -12.298 1.00 0.00 H new ATOM 765 N TYR A 47 0.991 -5.584 -8.340 1.00 0.00 N ATOM 766 CA TYR A 47 1.132 -4.878 -7.073 1.00 0.00 C ATOM 767 C TYR A 47 0.490 -3.495 -7.145 1.00 0.00 C ATOM 768 O TYR A 47 0.763 -2.719 -8.061 1.00 0.00 O ATOM 769 CB TYR A 47 2.609 -4.747 -6.699 1.00 0.00 C ATOM 770 CG TYR A 47 3.378 -6.044 -6.808 1.00 0.00 C ATOM 771 CD1 TYR A 47 2.852 -7.231 -6.312 1.00 0.00 C ATOM 772 CD2 TYR A 47 4.631 -6.084 -7.408 1.00 0.00 C ATOM 773 CE1 TYR A 47 3.552 -8.418 -6.408 1.00 0.00 C ATOM 774 CE2 TYR A 47 5.337 -7.267 -7.511 1.00 0.00 C ATOM 775 CZ TYR A 47 4.793 -8.431 -7.009 1.00 0.00 C ATOM 776 OH TYR A 47 5.493 -9.612 -7.108 1.00 0.00 O ATOM 0 H TYR A 47 1.542 -5.194 -9.104 1.00 0.00 H new ATOM 0 HA TYR A 47 0.620 -5.458 -6.305 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.074 -4.003 -7.346 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.685 -4.374 -5.678 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.879 -7.225 -5.843 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.060 -5.174 -7.801 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.130 -9.331 -6.015 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.309 -7.280 -7.982 1.00 0.00 H new ATOM 0 HH TYR A 47 6.348 -9.449 -7.558 1.00 0.00 H new ATOM 786 N TYR A 48 -0.363 -3.195 -6.172 1.00 0.00 N ATOM 787 CA TYR A 48 -1.046 -1.908 -6.125 1.00 0.00 C ATOM 788 C TYR A 48 -0.284 -0.919 -5.248 1.00 0.00 C ATOM 789 O TYR A 48 0.069 -1.225 -4.109 1.00 0.00 O ATOM 790 CB TYR A 48 -2.471 -2.082 -5.597 1.00 0.00 C ATOM 791 CG TYR A 48 -3.233 -0.782 -5.471 1.00 0.00 C ATOM 792 CD1 TYR A 48 -3.098 0.019 -4.343 1.00 0.00 C ATOM 793 CD2 TYR A 48 -4.087 -0.354 -6.480 1.00 0.00 C ATOM 794 CE1 TYR A 48 -3.793 1.207 -4.224 1.00 0.00 C ATOM 795 CE2 TYR A 48 -4.785 0.833 -6.369 1.00 0.00 C ATOM 796 CZ TYR A 48 -4.635 1.610 -5.239 1.00 0.00 C ATOM 797 OH TYR A 48 -5.328 2.793 -5.124 1.00 0.00 O ATOM 0 H TYR A 48 -0.598 -3.826 -5.405 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.088 -1.510 -7.139 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.017 -2.750 -6.263 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.431 -2.566 -4.621 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.439 -0.293 -3.546 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.207 -0.960 -7.366 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.677 1.817 -3.340 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.445 1.151 -7.163 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.304 3.097 -4.193 1.00 0.00 H new ATOM 807 N LEU A 49 -0.035 0.269 -5.787 1.00 0.00 N ATOM 808 CA LEU A 49 0.684 1.306 -5.055 1.00 0.00 C ATOM 809 C LEU A 49 -0.086 2.623 -5.078 1.00 0.00 C ATOM 810 O LEU A 49 -0.754 2.945 -6.060 1.00 0.00 O ATOM 811 CB LEU A 49 2.078 1.507 -5.654 1.00 0.00 C ATOM 812 CG LEU A 49 2.983 2.502 -4.927 1.00 0.00 C ATOM 813 CD1 LEU A 49 3.236 2.049 -3.497 1.00 0.00 C ATOM 814 CD2 LEU A 49 4.298 2.672 -5.675 1.00 0.00 C ATOM 0 H LEU A 49 -0.320 0.538 -6.728 1.00 0.00 H new ATOM 0 HA LEU A 49 0.783 0.982 -4.019 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.582 0.541 -5.682 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.964 1.837 -6.686 1.00 0.00 H new ATOM 0 HG LEU A 49 2.478 3.467 -4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.882 2.770 -2.996 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.288 1.980 -2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.720 1.072 -3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.930 3.384 -5.143 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.808 1.711 -5.738 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.099 3.044 -6.680 1.00 0.00 H new ATOM 826 N ARG A 50 0.015 3.379 -3.990 1.00 0.00 N ATOM 827 CA ARG A 50 -0.671 4.662 -3.885 1.00 0.00 C ATOM 828 C ARG A 50 0.323 5.791 -3.631 1.00 0.00 C ATOM 829 O ARG A 50 1.197 5.681 -2.770 1.00 0.00 O ATOM 830 CB ARG A 50 -1.709 4.619 -2.762 1.00 0.00 C ATOM 831 CG ARG A 50 -2.751 5.721 -2.853 1.00 0.00 C ATOM 832 CD ARG A 50 -4.130 5.218 -2.455 1.00 0.00 C ATOM 833 NE ARG A 50 -4.841 6.177 -1.614 1.00 0.00 N ATOM 834 CZ ARG A 50 -4.601 6.337 -0.317 1.00 0.00 C ATOM 835 NH1 ARG A 50 -3.673 5.605 0.284 1.00 0.00 N ATOM 836 NH2 ARG A 50 -5.289 7.230 0.382 1.00 0.00 N ATOM 0 H ARG A 50 0.565 3.126 -3.169 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.177 4.853 -4.831 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.212 3.652 -2.781 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.197 4.693 -1.803 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.464 6.549 -2.205 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.784 6.109 -3.871 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.716 5.019 -3.352 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.031 4.272 -1.922 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.561 6.756 -2.046 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.141 4.917 -0.249 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.491 5.730 1.280 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.004 7.795 -0.076 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.103 7.351 1.378 1.00 0.00 H new ATOM 850 N LEU A 51 0.183 6.875 -4.386 1.00 0.00 N ATOM 851 CA LEU A 51 1.069 8.026 -4.243 1.00 0.00 C ATOM 852 C LEU A 51 0.276 9.286 -3.915 1.00 0.00 C ATOM 853 O LEU A 51 -0.616 9.683 -4.665 1.00 0.00 O ATOM 854 CB LEU A 51 1.875 8.236 -5.527 1.00 0.00 C ATOM 855 CG LEU A 51 2.766 7.070 -5.958 1.00 0.00 C ATOM 856 CD1 LEU A 51 3.441 7.378 -7.286 1.00 0.00 C ATOM 857 CD2 LEU A 51 3.803 6.767 -4.887 1.00 0.00 C ATOM 0 H LEU A 51 -0.535 6.982 -5.103 1.00 0.00 H new ATOM 0 HA LEU A 51 1.754 7.826 -3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.179 8.455 -6.337 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.502 9.118 -5.399 1.00 0.00 H new ATOM 0 HG LEU A 51 2.140 6.187 -6.088 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.071 6.538 -7.577 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.682 7.544 -8.050 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.055 8.273 -7.183 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.428 5.935 -5.211 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.426 7.647 -4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.299 6.502 -3.957 1.00 0.00 H new ATOM 869 N ARG A 52 0.609 9.913 -2.792 1.00 0.00 N ATOM 870 CA ARG A 52 -0.072 11.130 -2.365 1.00 0.00 C ATOM 871 C ARG A 52 0.893 12.312 -2.338 1.00 0.00 C ATOM 872 O ARG A 52 1.764 12.396 -1.471 1.00 0.00 O ATOM 873 CB ARG A 52 -0.693 10.933 -0.981 1.00 0.00 C ATOM 874 CG ARG A 52 -1.624 12.061 -0.566 1.00 0.00 C ATOM 875 CD ARG A 52 -2.877 11.529 0.111 1.00 0.00 C ATOM 876 NE ARG A 52 -2.727 11.456 1.562 1.00 0.00 N ATOM 877 CZ ARG A 52 -3.643 10.937 2.371 1.00 0.00 C ATOM 878 NH1 ARG A 52 -4.770 10.447 1.873 1.00 0.00 N ATOM 879 NH2 ARG A 52 -3.434 10.907 3.681 1.00 0.00 N ATOM 0 H ARG A 52 1.346 9.599 -2.161 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.863 11.345 -3.083 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.246 9.994 -0.970 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.105 10.841 -0.244 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.101 12.735 0.112 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.903 12.645 -1.443 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.722 12.172 -0.134 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.107 10.538 -0.280 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.871 11.824 1.977 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.935 10.468 0.867 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.472 10.049 2.496 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.568 11.283 4.068 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.139 10.508 4.301 1.00 0.00 H new ATOM 893 N PHE A 53 0.733 13.222 -3.293 1.00 0.00 N ATOM 894 CA PHE A 53 1.591 14.398 -3.380 1.00 0.00 C ATOM 895 C PHE A 53 0.938 15.598 -2.701 1.00 0.00 C ATOM 896 O PHE A 53 -0.282 15.675 -2.558 1.00 0.00 O ATOM 897 CB PHE A 53 1.894 14.727 -4.843 1.00 0.00 C ATOM 898 CG PHE A 53 2.516 13.587 -5.598 1.00 0.00 C ATOM 899 CD1 PHE A 53 3.201 12.587 -4.927 1.00 0.00 C ATOM 900 CD2 PHE A 53 2.415 13.516 -6.978 1.00 0.00 C ATOM 901 CE1 PHE A 53 3.775 11.537 -5.619 1.00 0.00 C ATOM 902 CE2 PHE A 53 2.986 12.468 -7.675 1.00 0.00 C ATOM 903 CZ PHE A 53 3.666 11.477 -6.995 1.00 0.00 C ATOM 0 H PHE A 53 0.017 13.168 -4.018 1.00 0.00 H new ATOM 0 HA PHE A 53 2.525 14.175 -2.864 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.969 15.020 -5.340 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.563 15.587 -4.883 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.287 12.628 -3.851 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.884 14.288 -7.515 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.308 10.764 -5.085 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.900 12.424 -8.751 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.112 10.657 -7.538 1.00 0.00 H new ATOM 913 N PRO A 54 1.770 16.559 -2.272 1.00 0.00 N ATOM 914 CA PRO A 54 1.297 17.774 -1.601 1.00 0.00 C ATOM 915 C PRO A 54 0.551 18.707 -2.549 1.00 0.00 C ATOM 916 O PRO A 54 -0.029 19.706 -2.123 1.00 0.00 O ATOM 917 CB PRO A 54 2.588 18.432 -1.108 1.00 0.00 C ATOM 918 CG PRO A 54 3.645 17.931 -2.030 1.00 0.00 C ATOM 919 CD PRO A 54 3.236 16.534 -2.408 1.00 0.00 C ATOM 0 HA PRO A 54 0.586 17.550 -0.806 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.516 19.519 -1.142 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.802 18.159 -0.075 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.726 18.566 -2.912 1.00 0.00 H new ATOM 0 HG3 PRO A 54 4.621 17.934 -1.544 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.541 16.287 -3.425 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.688 15.791 -1.751 1.00 0.00 H new ATOM 927 N HIS A 55 0.569 18.373 -3.835 1.00 0.00 N ATOM 928 CA HIS A 55 -0.107 19.182 -4.844 1.00 0.00 C ATOM 929 C HIS A 55 -1.246 18.400 -5.492 1.00 0.00 C ATOM 930 O HIS A 55 -1.586 17.302 -5.053 1.00 0.00 O ATOM 931 CB HIS A 55 0.887 19.638 -5.912 1.00 0.00 C ATOM 932 CG HIS A 55 1.979 20.513 -5.379 1.00 0.00 C ATOM 933 ND1 HIS A 55 1.877 21.886 -5.309 1.00 0.00 N ATOM 934 CD2 HIS A 55 3.202 20.203 -4.888 1.00 0.00 C ATOM 935 CE1 HIS A 55 2.989 22.383 -4.799 1.00 0.00 C ATOM 936 NE2 HIS A 55 3.810 21.382 -4.534 1.00 0.00 N ATOM 0 H HIS A 55 1.044 17.549 -4.203 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.526 20.059 -4.351 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.332 18.760 -6.381 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.348 20.177 -6.691 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.621 19.212 -4.793 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.193 23.430 -4.628 1.00 0.00 H new ATOM 0 HE2 HIS A 55 4.743 21.471 -4.132 1.00 0.00 H new ATOM 944 N GLU A 56 -1.831 18.975 -6.538 1.00 0.00 N ATOM 945 CA GLU A 56 -2.933 18.332 -7.245 1.00 0.00 C ATOM 946 C GLU A 56 -2.607 18.169 -8.727 1.00 0.00 C ATOM 947 O GLU A 56 -2.316 19.145 -9.421 1.00 0.00 O ATOM 948 CB GLU A 56 -4.218 19.146 -7.081 1.00 0.00 C ATOM 949 CG GLU A 56 -4.018 20.642 -7.255 1.00 0.00 C ATOM 950 CD GLU A 56 -3.597 21.328 -5.970 1.00 0.00 C ATOM 951 OE1 GLU A 56 -4.239 21.081 -4.928 1.00 0.00 O ATOM 952 OE2 GLU A 56 -2.626 22.113 -6.008 1.00 0.00 O ATOM 0 H GLU A 56 -1.561 19.884 -6.914 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.081 17.343 -6.812 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.953 18.799 -7.808 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.634 18.956 -6.092 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.262 20.817 -8.020 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.945 21.089 -7.614 1.00 0.00 H new ATOM 959 N LEU A 57 -2.657 16.931 -9.205 1.00 0.00 N ATOM 960 CA LEU A 57 -2.368 16.639 -10.605 1.00 0.00 C ATOM 961 C LEU A 57 -3.655 16.410 -11.391 1.00 0.00 C ATOM 962 O LEU A 57 -4.754 16.562 -10.858 1.00 0.00 O ATOM 963 CB LEU A 57 -1.465 15.409 -10.713 1.00 0.00 C ATOM 964 CG LEU A 57 -0.237 15.395 -9.802 1.00 0.00 C ATOM 965 CD1 LEU A 57 0.016 13.993 -9.269 1.00 0.00 C ATOM 966 CD2 LEU A 57 0.985 15.915 -10.544 1.00 0.00 C ATOM 0 H LEU A 57 -2.895 16.113 -8.644 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.853 17.500 -11.031 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.063 14.524 -10.496 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.127 15.321 -11.746 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.429 16.054 -8.955 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.894 14.002 -8.623 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.851 13.659 -8.699 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.187 13.312 -10.103 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.849 15.898 -9.880 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.181 15.283 -11.410 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.802 16.937 -10.875 1.00 0.00 H new ATOM 978 N ILE A 58 -3.509 16.042 -12.660 1.00 0.00 N ATOM 979 CA ILE A 58 -4.660 15.788 -13.518 1.00 0.00 C ATOM 980 C ILE A 58 -4.343 14.723 -14.561 1.00 0.00 C ATOM 981 O ILE A 58 -3.222 14.645 -15.063 1.00 0.00 O ATOM 982 CB ILE A 58 -5.122 17.071 -14.234 1.00 0.00 C ATOM 983 CG1 ILE A 58 -6.304 16.769 -15.157 1.00 0.00 C ATOM 984 CG2 ILE A 58 -3.971 17.682 -15.020 1.00 0.00 C ATOM 985 CD1 ILE A 58 -6.913 18.004 -15.783 1.00 0.00 C ATOM 0 H ILE A 58 -2.606 15.913 -13.116 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.463 15.433 -12.872 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.447 17.792 -13.484 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.974 16.096 -15.948 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.072 16.243 -14.590 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.313 18.588 -15.521 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.156 17.929 -14.339 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.619 16.967 -15.764 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.745 17.714 -16.425 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.274 18.669 -14.999 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.159 18.520 -16.378 1.00 0.00 H new ATOM 997 N ASP A 59 -5.339 13.905 -14.885 1.00 0.00 N ATOM 998 CA ASP A 59 -5.169 12.845 -15.872 1.00 0.00 C ATOM 999 C ASP A 59 -5.820 13.227 -17.197 1.00 0.00 C ATOM 1000 O ASP A 59 -7.045 13.219 -17.323 1.00 0.00 O ATOM 1001 CB ASP A 59 -5.765 11.536 -15.354 1.00 0.00 C ATOM 1002 CG ASP A 59 -6.180 10.605 -16.476 1.00 0.00 C ATOM 1003 OD1 ASP A 59 -5.290 10.132 -17.214 1.00 0.00 O ATOM 1004 OD2 ASP A 59 -7.395 10.350 -16.618 1.00 0.00 O ATOM 0 H ASP A 59 -6.273 13.956 -14.478 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.101 12.706 -16.040 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.035 11.033 -14.720 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.631 11.756 -14.730 1.00 0.00 H new ATOM 1009 N ASP A 60 -4.994 13.561 -18.182 1.00 0.00 N ATOM 1010 CA ASP A 60 -5.490 13.946 -19.499 1.00 0.00 C ATOM 1011 C ASP A 60 -5.013 12.967 -20.567 1.00 0.00 C ATOM 1012 O ASP A 60 -4.525 11.882 -20.253 1.00 0.00 O ATOM 1013 CB ASP A 60 -5.031 15.363 -19.846 1.00 0.00 C ATOM 1014 CG ASP A 60 -6.159 16.222 -20.382 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -7.256 16.201 -19.786 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -5.945 16.915 -21.399 1.00 0.00 O ATOM 0 H ASP A 60 -3.978 13.573 -18.094 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.579 13.922 -19.471 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.611 15.834 -18.957 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.233 15.312 -20.587 1.00 0.00 H new ATOM 1021 N GLU A 61 -5.158 13.359 -21.829 1.00 0.00 N ATOM 1022 CA GLU A 61 -4.744 12.514 -22.943 1.00 0.00 C ATOM 1023 C GLU A 61 -3.225 12.363 -22.975 1.00 0.00 C ATOM 1024 O GLU A 61 -2.703 11.317 -23.361 1.00 0.00 O ATOM 1025 CB GLU A 61 -5.237 13.099 -24.267 1.00 0.00 C ATOM 1026 CG GLU A 61 -4.725 14.504 -24.540 1.00 0.00 C ATOM 1027 CD GLU A 61 -3.450 14.510 -25.361 1.00 0.00 C ATOM 1028 OE1 GLU A 61 -3.448 13.918 -26.460 1.00 0.00 O ATOM 1029 OE2 GLU A 61 -2.454 15.109 -24.903 1.00 0.00 O ATOM 0 H GLU A 61 -5.559 14.255 -22.105 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.188 11.528 -22.803 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.928 12.444 -25.082 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.327 13.112 -24.265 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.494 15.071 -25.065 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.545 15.012 -23.592 1.00 0.00 H new ATOM 1036 N ARG A 62 -2.523 13.415 -22.567 1.00 0.00 N ATOM 1037 CA ARG A 62 -1.065 13.401 -22.551 1.00 0.00 C ATOM 1038 C ARG A 62 -0.543 12.349 -21.577 1.00 0.00 C ATOM 1039 O ARG A 62 0.477 11.707 -21.829 1.00 0.00 O ATOM 1040 CB ARG A 62 -0.525 14.779 -22.167 1.00 0.00 C ATOM 1041 CG ARG A 62 -1.207 15.384 -20.951 1.00 0.00 C ATOM 1042 CD ARG A 62 -1.945 16.665 -21.305 1.00 0.00 C ATOM 1043 NE ARG A 62 -1.142 17.854 -21.030 1.00 0.00 N ATOM 1044 CZ ARG A 62 -0.424 18.485 -21.953 1.00 0.00 C ATOM 1045 NH1 ARG A 62 -0.411 18.044 -23.203 1.00 0.00 N ATOM 1046 NH2 ARG A 62 0.281 19.560 -21.626 1.00 0.00 N ATOM 0 H ARG A 62 -2.940 14.288 -22.243 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.718 13.149 -23.553 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.544 14.699 -21.971 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.644 15.455 -23.014 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.908 14.664 -20.530 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.463 15.592 -20.182 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.216 16.647 -22.361 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.874 16.716 -20.738 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.132 18.220 -20.078 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.953 17.218 -23.458 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.141 18.530 -23.910 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.272 19.903 -20.665 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.832 20.044 -22.335 1.00 0.00 H new ATOM 1060 N SER A 63 -1.248 12.178 -20.464 1.00 0.00 N ATOM 1061 CA SER A 63 -0.853 11.207 -19.450 1.00 0.00 C ATOM 1062 C SER A 63 -0.743 9.809 -20.050 1.00 0.00 C ATOM 1063 O SER A 63 -1.637 9.354 -20.766 1.00 0.00 O ATOM 1064 CB SER A 63 -1.861 11.202 -18.298 1.00 0.00 C ATOM 1065 OG SER A 63 -2.933 10.314 -18.563 1.00 0.00 O ATOM 0 H SER A 63 -2.096 12.699 -20.241 1.00 0.00 H new ATOM 0 HA SER A 63 0.125 11.497 -19.066 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.361 10.909 -17.375 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.248 12.209 -18.145 1.00 0.00 H new ATOM 0 HG SER A 63 -3.654 10.470 -17.918 1.00 0.00 H new ATOM 1071 N THR A 64 0.360 9.129 -19.754 1.00 0.00 N ATOM 1072 CA THR A 64 0.590 7.784 -20.265 1.00 0.00 C ATOM 1073 C THR A 64 1.839 7.166 -19.646 1.00 0.00 C ATOM 1074 O THR A 64 2.711 7.876 -19.146 1.00 0.00 O ATOM 1075 CB THR A 64 0.736 7.782 -21.798 1.00 0.00 C ATOM 1076 OG1 THR A 64 1.042 6.461 -22.260 1.00 0.00 O ATOM 1077 CG2 THR A 64 1.829 8.744 -22.239 1.00 0.00 C ATOM 0 H THR A 64 1.109 9.489 -19.162 1.00 0.00 H new ATOM 0 HA THR A 64 -0.281 7.189 -19.990 1.00 0.00 H new ATOM 0 HB THR A 64 -0.210 8.108 -22.231 1.00 0.00 H new ATOM 0 HG1 THR A 64 1.131 6.468 -23.236 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.914 8.725 -23.326 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.579 9.753 -21.912 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.779 8.444 -21.796 1.00 0.00 H new ATOM 1085 N ALA A 65 1.918 5.840 -19.683 1.00 0.00 N ATOM 1086 CA ALA A 65 3.062 5.127 -19.128 1.00 0.00 C ATOM 1087 C ALA A 65 3.730 4.254 -20.184 1.00 0.00 C ATOM 1088 O ALA A 65 3.058 3.670 -21.034 1.00 0.00 O ATOM 1089 CB ALA A 65 2.631 4.283 -17.938 1.00 0.00 C ATOM 0 H ALA A 65 1.203 5.238 -20.092 1.00 0.00 H new ATOM 0 HA ALA A 65 3.790 5.865 -18.791 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.495 3.756 -17.534 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.207 4.928 -17.169 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.882 3.559 -18.258 1.00 0.00 H new ATOM 1095 N GLN A 66 5.055 4.169 -20.124 1.00 0.00 N ATOM 1096 CA GLN A 66 5.813 3.368 -21.078 1.00 0.00 C ATOM 1097 C GLN A 66 6.650 2.315 -20.359 1.00 0.00 C ATOM 1098 O GLN A 66 7.347 2.617 -19.389 1.00 0.00 O ATOM 1099 CB GLN A 66 6.717 4.264 -21.925 1.00 0.00 C ATOM 1100 CG GLN A 66 6.024 5.517 -22.436 1.00 0.00 C ATOM 1101 CD GLN A 66 6.595 6.786 -21.835 1.00 0.00 C ATOM 1102 OE1 GLN A 66 7.810 6.926 -21.690 1.00 0.00 O ATOM 1103 NE2 GLN A 66 5.719 7.720 -21.481 1.00 0.00 N ATOM 0 H GLN A 66 5.626 4.645 -19.425 1.00 0.00 H new ATOM 0 HA GLN A 66 5.104 2.859 -21.731 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.585 4.554 -21.333 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.088 3.692 -22.775 1.00 0.00 H new ATOM 0 HG2 GLN A 66 6.115 5.561 -23.521 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.960 5.458 -22.207 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.721 7.562 -21.619 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.045 8.595 -21.071 1.00 0.00 H new ATOM 1112 N TYR A 67 6.578 1.079 -20.840 1.00 0.00 N ATOM 1113 CA TYR A 67 7.327 -0.019 -20.241 1.00 0.00 C ATOM 1114 C TYR A 67 8.727 -0.114 -20.841 1.00 0.00 C ATOM 1115 O TYR A 67 8.888 -0.183 -22.060 1.00 0.00 O ATOM 1116 CB TYR A 67 6.583 -1.341 -20.442 1.00 0.00 C ATOM 1117 CG TYR A 67 7.403 -2.558 -20.077 1.00 0.00 C ATOM 1118 CD1 TYR A 67 8.264 -2.539 -18.987 1.00 0.00 C ATOM 1119 CD2 TYR A 67 7.316 -3.727 -20.822 1.00 0.00 C ATOM 1120 CE1 TYR A 67 9.015 -3.648 -18.650 1.00 0.00 C ATOM 1121 CE2 TYR A 67 8.062 -4.842 -20.492 1.00 0.00 C ATOM 1122 CZ TYR A 67 8.910 -4.797 -19.405 1.00 0.00 C ATOM 1123 OH TYR A 67 9.656 -5.905 -19.074 1.00 0.00 O ATOM 0 H TYR A 67 6.009 0.812 -21.643 1.00 0.00 H new ATOM 0 HA TYR A 67 7.421 0.179 -19.173 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.674 -1.332 -19.841 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.275 -1.420 -21.485 1.00 0.00 H new ATOM 0 HD1 TYR A 67 8.348 -1.641 -18.393 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.654 -3.765 -21.674 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.681 -3.615 -17.800 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.982 -5.743 -21.081 1.00 0.00 H new ATOM 0 HH TYR A 67 9.464 -6.629 -19.706 1.00 0.00 H new ATOM 1133 N ASP A 68 9.735 -0.118 -19.976 1.00 0.00 N ATOM 1134 CA ASP A 68 11.121 -0.207 -20.419 1.00 0.00 C ATOM 1135 C ASP A 68 11.703 -1.584 -20.113 1.00 0.00 C ATOM 1136 O ASP A 68 11.869 -1.955 -18.951 1.00 0.00 O ATOM 1137 CB ASP A 68 11.964 0.877 -19.745 1.00 0.00 C ATOM 1138 CG ASP A 68 11.907 2.199 -20.485 1.00 0.00 C ATOM 1139 OD1 ASP A 68 11.450 2.208 -21.647 1.00 0.00 O ATOM 1140 OD2 ASP A 68 12.319 3.224 -19.902 1.00 0.00 O ATOM 0 H ASP A 68 9.618 -0.061 -18.964 1.00 0.00 H new ATOM 0 HA ASP A 68 11.142 -0.055 -21.498 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.615 1.021 -18.722 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.000 0.542 -19.684 1.00 0.00 H new ATOM 1145 N SER A 69 12.009 -2.338 -21.164 1.00 0.00 N ATOM 1146 CA SER A 69 12.567 -3.676 -21.009 1.00 0.00 C ATOM 1147 C SER A 69 14.077 -3.614 -20.802 1.00 0.00 C ATOM 1148 O SER A 69 14.653 -4.440 -20.094 1.00 0.00 O ATOM 1149 CB SER A 69 12.242 -4.533 -22.234 1.00 0.00 C ATOM 1150 OG SER A 69 12.401 -5.912 -21.949 1.00 0.00 O ATOM 0 H SER A 69 11.880 -2.045 -22.132 1.00 0.00 H new ATOM 0 HA SER A 69 12.116 -4.131 -20.127 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.218 -4.341 -22.555 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.894 -4.252 -23.061 1.00 0.00 H new ATOM 0 HG SER A 69 12.186 -6.438 -22.747 1.00 0.00 H new ATOM 1156 N LYS A 70 14.713 -2.629 -21.427 1.00 0.00 N ATOM 1157 CA LYS A 70 16.156 -2.456 -21.313 1.00 0.00 C ATOM 1158 C LYS A 70 16.573 -2.306 -19.853 1.00 0.00 C ATOM 1159 O LYS A 70 17.713 -2.595 -19.490 1.00 0.00 O ATOM 1160 CB LYS A 70 16.608 -1.231 -22.111 1.00 0.00 C ATOM 1161 CG LYS A 70 15.882 0.047 -21.728 1.00 0.00 C ATOM 1162 CD LYS A 70 16.642 0.823 -20.665 1.00 0.00 C ATOM 1163 CE LYS A 70 15.715 1.721 -19.861 1.00 0.00 C ATOM 1164 NZ LYS A 70 15.173 2.838 -20.684 1.00 0.00 N ATOM 0 H LYS A 70 14.251 -1.938 -22.018 1.00 0.00 H new ATOM 0 HA LYS A 70 16.636 -3.346 -21.720 1.00 0.00 H new ATOM 0 HB2 LYS A 70 17.679 -1.088 -21.966 1.00 0.00 H new ATOM 0 HB3 LYS A 70 16.453 -1.422 -23.173 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.752 0.671 -22.612 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.885 -0.196 -21.360 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.146 0.126 -19.995 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.416 1.428 -21.138 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.890 1.129 -19.464 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.255 2.128 -19.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.238 3.115 -20.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.819 3.652 -20.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.083 2.529 -21.673 1.00 0.00 H new ATOM 1178 N ASP A 71 15.641 -1.855 -19.020 1.00 0.00 N ATOM 1179 CA ASP A 71 15.911 -1.670 -17.599 1.00 0.00 C ATOM 1180 C ASP A 71 14.825 -2.324 -16.750 1.00 0.00 C ATOM 1181 O ASP A 71 14.840 -2.224 -15.524 1.00 0.00 O ATOM 1182 CB ASP A 71 16.007 -0.180 -17.266 1.00 0.00 C ATOM 1183 CG ASP A 71 16.457 0.067 -15.840 1.00 0.00 C ATOM 1184 OD1 ASP A 71 17.338 -0.676 -15.358 1.00 0.00 O ATOM 1185 OD2 ASP A 71 15.928 1.003 -15.205 1.00 0.00 O ATOM 0 H ASP A 71 14.692 -1.611 -19.304 1.00 0.00 H new ATOM 0 HA ASP A 71 16.864 -2.148 -17.370 1.00 0.00 H new ATOM 0 HB2 ASP A 71 16.706 0.298 -17.952 1.00 0.00 H new ATOM 0 HB3 ASP A 71 15.035 0.288 -17.423 1.00 0.00 H new ATOM 1190 N GLU A 72 13.885 -2.991 -17.412 1.00 0.00 N ATOM 1191 CA GLU A 72 12.791 -3.660 -16.717 1.00 0.00 C ATOM 1192 C GLU A 72 12.091 -2.703 -15.757 1.00 0.00 C ATOM 1193 O GLU A 72 11.553 -3.119 -14.731 1.00 0.00 O ATOM 1194 CB GLU A 72 13.313 -4.877 -15.950 1.00 0.00 C ATOM 1195 CG GLU A 72 14.283 -5.730 -16.750 1.00 0.00 C ATOM 1196 CD GLU A 72 14.913 -6.832 -15.920 1.00 0.00 C ATOM 1197 OE1 GLU A 72 14.380 -7.134 -14.832 1.00 0.00 O ATOM 1198 OE2 GLU A 72 15.939 -7.392 -16.359 1.00 0.00 O ATOM 0 H GLU A 72 13.859 -3.083 -18.428 1.00 0.00 H new ATOM 0 HA GLU A 72 12.069 -3.992 -17.463 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.806 -4.538 -15.039 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.468 -5.493 -15.644 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.758 -6.173 -17.597 1.00 0.00 H new ATOM 0 HG3 GLU A 72 15.068 -5.094 -17.159 1.00 0.00 H new ATOM 1205 N CYS A 73 12.103 -1.419 -16.098 1.00 0.00 N ATOM 1206 CA CYS A 73 11.470 -0.401 -15.267 1.00 0.00 C ATOM 1207 C CYS A 73 10.242 0.181 -15.960 1.00 0.00 C ATOM 1208 O CYS A 73 10.140 0.156 -17.187 1.00 0.00 O ATOM 1209 CB CYS A 73 12.465 0.714 -14.944 1.00 0.00 C ATOM 1210 SG CYS A 73 11.921 1.832 -13.630 1.00 0.00 S ATOM 0 H CYS A 73 12.544 -1.058 -16.944 1.00 0.00 H new ATOM 0 HA CYS A 73 11.150 -0.873 -14.338 1.00 0.00 H new ATOM 0 HB2 CYS A 73 13.415 0.266 -14.654 1.00 0.00 H new ATOM 0 HB3 CYS A 73 12.649 1.295 -15.848 1.00 0.00 H new ATOM 0 HG CYS A 73 12.830 2.739 -13.428 1.00 0.00 H new ATOM 1216 N ILE A 74 9.313 0.703 -15.166 1.00 0.00 N ATOM 1217 CA ILE A 74 8.092 1.290 -15.704 1.00 0.00 C ATOM 1218 C ILE A 74 8.088 2.805 -15.531 1.00 0.00 C ATOM 1219 O ILE A 74 8.387 3.317 -14.453 1.00 0.00 O ATOM 1220 CB ILE A 74 6.839 0.704 -15.026 1.00 0.00 C ATOM 1221 CG1 ILE A 74 6.801 -0.815 -15.201 1.00 0.00 C ATOM 1222 CG2 ILE A 74 5.581 1.341 -15.597 1.00 0.00 C ATOM 1223 CD1 ILE A 74 6.529 -1.252 -16.624 1.00 0.00 C ATOM 0 H ILE A 74 9.383 0.731 -14.149 1.00 0.00 H new ATOM 0 HA ILE A 74 8.067 1.048 -16.766 1.00 0.00 H new ATOM 0 HB ILE A 74 6.883 0.926 -13.960 1.00 0.00 H new ATOM 0 HG12 ILE A 74 7.753 -1.234 -14.876 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.032 -1.229 -14.549 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.704 0.917 -15.108 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.608 2.417 -15.425 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.529 1.146 -16.668 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.516 -2.341 -16.674 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.563 -0.862 -16.946 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.312 -0.868 -17.278 1.00 0.00 H new ATOM 1235 N ASN A 75 7.747 3.517 -16.600 1.00 0.00 N ATOM 1236 CA ASN A 75 7.703 4.974 -16.566 1.00 0.00 C ATOM 1237 C ASN A 75 6.264 5.477 -16.646 1.00 0.00 C ATOM 1238 O ASN A 75 5.533 5.154 -17.582 1.00 0.00 O ATOM 1239 CB ASN A 75 8.522 5.556 -17.719 1.00 0.00 C ATOM 1240 CG ASN A 75 9.892 4.916 -17.836 1.00 0.00 C ATOM 1241 OD1 ASN A 75 10.881 5.441 -17.324 1.00 0.00 O ATOM 1242 ND2 ASN A 75 9.955 3.775 -18.513 1.00 0.00 N ATOM 0 H ASN A 75 7.497 3.109 -17.501 1.00 0.00 H new ATOM 0 HA ASN A 75 8.133 5.304 -15.620 1.00 0.00 H new ATOM 0 HB2 ASN A 75 7.978 5.417 -18.653 1.00 0.00 H new ATOM 0 HB3 ASN A 75 8.637 6.630 -17.573 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.849 3.297 -18.625 1.00 0.00 H new ATOM 0 HD22 ASN A 75 9.109 3.376 -18.920 1.00 0.00 H new ATOM 1249 N VAL A 76 5.865 6.269 -15.656 1.00 0.00 N ATOM 1250 CA VAL A 76 4.515 6.819 -15.614 1.00 0.00 C ATOM 1251 C VAL A 76 4.537 8.339 -15.721 1.00 0.00 C ATOM 1252 O VAL A 76 5.205 9.018 -14.942 1.00 0.00 O ATOM 1253 CB VAL A 76 3.786 6.417 -14.318 1.00 0.00 C ATOM 1254 CG1 VAL A 76 2.317 6.805 -14.390 1.00 0.00 C ATOM 1255 CG2 VAL A 76 3.940 4.925 -14.061 1.00 0.00 C ATOM 0 H VAL A 76 6.457 6.544 -14.872 1.00 0.00 H new ATOM 0 HA VAL A 76 3.978 6.406 -16.468 1.00 0.00 H new ATOM 0 HB VAL A 76 4.239 6.954 -13.485 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.818 6.513 -13.466 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.232 7.883 -14.524 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.847 6.297 -15.232 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.419 4.658 -13.141 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.514 4.366 -14.894 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.998 4.680 -13.963 1.00 0.00 H new ATOM 1265 N LYS A 77 3.800 8.869 -16.692 1.00 0.00 N ATOM 1266 CA LYS A 77 3.733 10.310 -16.902 1.00 0.00 C ATOM 1267 C LYS A 77 2.403 10.870 -16.407 1.00 0.00 C ATOM 1268 O LYS A 77 1.352 10.256 -16.592 1.00 0.00 O ATOM 1269 CB LYS A 77 3.916 10.639 -18.386 1.00 0.00 C ATOM 1270 CG LYS A 77 4.134 12.117 -18.658 1.00 0.00 C ATOM 1271 CD LYS A 77 3.105 12.662 -19.634 1.00 0.00 C ATOM 1272 CE LYS A 77 3.721 12.937 -20.998 1.00 0.00 C ATOM 1273 NZ LYS A 77 2.980 13.995 -21.738 1.00 0.00 N ATOM 0 H LYS A 77 3.241 8.321 -17.346 1.00 0.00 H new ATOM 0 HA LYS A 77 4.538 10.773 -16.331 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.767 10.078 -18.772 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.037 10.303 -18.935 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.079 12.672 -17.722 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.135 12.270 -19.060 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.288 11.948 -19.740 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.675 13.581 -19.236 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.760 13.242 -20.872 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.727 12.019 -21.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.651 14.572 -22.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.297 13.552 -22.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.473 14.601 -21.062 1.00 0.00 H new ATOM 1287 N VAL A 78 2.456 12.040 -15.778 1.00 0.00 N ATOM 1288 CA VAL A 78 1.256 12.684 -15.258 1.00 0.00 C ATOM 1289 C VAL A 78 1.306 14.193 -15.470 1.00 0.00 C ATOM 1290 O VAL A 78 2.270 14.852 -15.083 1.00 0.00 O ATOM 1291 CB VAL A 78 1.068 12.393 -13.757 1.00 0.00 C ATOM 1292 CG1 VAL A 78 -0.285 12.899 -13.280 1.00 0.00 C ATOM 1293 CG2 VAL A 78 1.219 10.905 -13.480 1.00 0.00 C ATOM 0 H VAL A 78 3.318 12.561 -15.616 1.00 0.00 H new ATOM 0 HA VAL A 78 0.411 12.271 -15.809 1.00 0.00 H new ATOM 0 HB VAL A 78 1.842 12.922 -13.202 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.400 12.684 -12.217 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.349 13.975 -13.442 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.077 12.401 -13.838 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.083 10.718 -12.415 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.468 10.352 -14.044 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.214 10.578 -13.782 1.00 0.00 H new ATOM 1303 N ALA A 79 0.261 14.733 -16.088 1.00 0.00 N ATOM 1304 CA ALA A 79 0.184 16.165 -16.350 1.00 0.00 C ATOM 1305 C ALA A 79 -0.190 16.934 -15.087 1.00 0.00 C ATOM 1306 O ALA A 79 -1.105 16.547 -14.360 1.00 0.00 O ATOM 1307 CB ALA A 79 -0.819 16.446 -17.458 1.00 0.00 C ATOM 0 H ALA A 79 -0.544 14.200 -16.417 1.00 0.00 H new ATOM 0 HA ALA A 79 1.168 16.504 -16.673 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.866 17.519 -17.643 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.508 15.934 -18.369 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.803 16.086 -17.158 1.00 0.00 H new ATOM 1313 N LYS A 80 0.523 18.026 -14.832 1.00 0.00 N ATOM 1314 CA LYS A 80 0.266 18.851 -13.658 1.00 0.00 C ATOM 1315 C LYS A 80 -0.708 19.978 -13.988 1.00 0.00 C ATOM 1316 O LYS A 80 -0.828 20.391 -15.142 1.00 0.00 O ATOM 1317 CB LYS A 80 1.575 19.435 -13.123 1.00 0.00 C ATOM 1318 CG LYS A 80 2.438 20.078 -14.195 1.00 0.00 C ATOM 1319 CD LYS A 80 3.611 20.830 -13.590 1.00 0.00 C ATOM 1320 CE LYS A 80 4.840 19.941 -13.469 1.00 0.00 C ATOM 1321 NZ LYS A 80 4.623 18.822 -12.511 1.00 0.00 N ATOM 0 H LYS A 80 1.284 18.360 -15.423 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.183 18.219 -12.892 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.346 20.178 -12.359 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.144 18.643 -12.637 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.808 19.310 -14.874 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.832 20.763 -14.788 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.847 21.697 -14.208 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.334 21.206 -12.605 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.093 19.536 -14.449 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.690 20.539 -13.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.539 18.507 -12.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.018 19.146 -11.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.160 18.030 -13.001 1.00 0.00 H new ATOM 1335 N LEU A 81 -1.401 20.472 -12.968 1.00 0.00 N ATOM 1336 CA LEU A 81 -2.364 21.553 -13.149 1.00 0.00 C ATOM 1337 C LEU A 81 -1.658 22.858 -13.503 1.00 0.00 C ATOM 1338 O LEU A 81 -2.063 23.563 -14.426 1.00 0.00 O ATOM 1339 CB LEU A 81 -3.196 21.739 -11.879 1.00 0.00 C ATOM 1340 CG LEU A 81 -4.127 20.583 -11.511 1.00 0.00 C ATOM 1341 CD1 LEU A 81 -4.968 20.941 -10.296 1.00 0.00 C ATOM 1342 CD2 LEU A 81 -5.017 20.219 -12.691 1.00 0.00 C ATOM 0 H LEU A 81 -1.314 20.141 -12.007 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.025 21.283 -13.973 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.516 21.911 -11.045 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.797 22.641 -11.991 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.517 19.715 -11.261 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.624 20.106 -10.049 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.314 21.151 -9.450 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.570 21.823 -10.517 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.673 19.395 -12.411 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.619 21.083 -12.972 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.397 19.919 -13.536 1.00 0.00 H new ATOM 1354 N ASN A 82 -0.598 23.171 -12.765 1.00 0.00 N ATOM 1355 CA ASN A 82 0.166 24.390 -13.002 1.00 0.00 C ATOM 1356 C ASN A 82 1.580 24.063 -13.473 1.00 0.00 C ATOM 1357 O ASN A 82 2.296 23.291 -12.835 1.00 0.00 O ATOM 1358 CB ASN A 82 0.224 25.237 -11.729 1.00 0.00 C ATOM 1359 CG ASN A 82 -1.083 25.215 -10.961 1.00 0.00 C ATOM 1360 OD1 ASN A 82 -1.912 26.116 -11.099 1.00 0.00 O ATOM 1361 ND2 ASN A 82 -1.274 24.184 -10.146 1.00 0.00 N ATOM 0 H ASN A 82 -0.249 22.597 -11.998 1.00 0.00 H new ATOM 0 HA ASN A 82 -0.337 24.957 -13.785 1.00 0.00 H new ATOM 0 HB2 ASN A 82 1.025 24.870 -11.088 1.00 0.00 H new ATOM 0 HB3 ASN A 82 0.471 26.266 -11.991 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -2.135 24.116 -9.603 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.560 23.460 -10.063 1.00 0.00 H new ATOM 1368 N LYS A 83 1.976 24.655 -14.595 1.00 0.00 N ATOM 1369 CA LYS A 83 3.304 24.430 -15.152 1.00 0.00 C ATOM 1370 C LYS A 83 4.380 25.041 -14.260 1.00 0.00 C ATOM 1371 O LYS A 83 4.095 25.908 -13.435 1.00 0.00 O ATOM 1372 CB LYS A 83 3.397 25.023 -16.560 1.00 0.00 C ATOM 1373 CG LYS A 83 4.600 24.535 -17.348 1.00 0.00 C ATOM 1374 CD LYS A 83 4.350 24.602 -18.845 1.00 0.00 C ATOM 1375 CE LYS A 83 5.037 23.458 -19.576 1.00 0.00 C ATOM 1376 NZ LYS A 83 5.535 23.876 -20.916 1.00 0.00 N ATOM 0 H LYS A 83 1.395 25.295 -15.137 1.00 0.00 H new ATOM 0 HA LYS A 83 3.470 23.354 -15.206 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.489 24.776 -17.110 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.439 26.110 -16.485 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.471 25.140 -17.096 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.831 23.509 -17.062 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.278 24.567 -19.038 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.713 25.554 -19.233 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.871 23.092 -18.976 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.339 22.629 -19.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.997 23.069 -21.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.736 24.201 -21.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.220 24.650 -20.806 1.00 0.00 H new ATOM 1390 N ASN A 84 5.616 24.584 -14.433 1.00 0.00 N ATOM 1391 CA ASN A 84 6.734 25.087 -13.643 1.00 0.00 C ATOM 1392 C ASN A 84 6.533 24.785 -12.161 1.00 0.00 C ATOM 1393 O ASN A 84 7.188 25.376 -11.303 1.00 0.00 O ATOM 1394 CB ASN A 84 6.894 26.595 -13.850 1.00 0.00 C ATOM 1395 CG ASN A 84 7.954 26.927 -14.883 1.00 0.00 C ATOM 1396 OD1 ASN A 84 8.840 27.746 -14.638 1.00 0.00 O ATOM 1397 ND2 ASN A 84 7.867 26.291 -16.045 1.00 0.00 N ATOM 0 H ASN A 84 5.869 23.867 -15.113 1.00 0.00 H new ATOM 0 HA ASN A 84 7.640 24.582 -13.979 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.940 27.019 -14.163 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.156 27.064 -12.901 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.552 26.473 -16.779 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.115 25.620 -16.204 1.00 0.00 H new ATOM 1404 N GLU A 85 5.624 23.860 -11.869 1.00 0.00 N ATOM 1405 CA GLU A 85 5.337 23.480 -10.491 1.00 0.00 C ATOM 1406 C GLU A 85 6.216 22.312 -10.055 1.00 0.00 C ATOM 1407 O GLU A 85 6.257 21.272 -10.713 1.00 0.00 O ATOM 1408 CB GLU A 85 3.861 23.106 -10.338 1.00 0.00 C ATOM 1409 CG GLU A 85 3.466 22.756 -8.913 1.00 0.00 C ATOM 1410 CD GLU A 85 2.448 21.635 -8.849 1.00 0.00 C ATOM 1411 OE1 GLU A 85 2.632 20.624 -9.559 1.00 0.00 O ATOM 1412 OE2 GLU A 85 1.467 21.768 -8.087 1.00 0.00 O ATOM 0 H GLU A 85 5.074 23.360 -12.568 1.00 0.00 H new ATOM 0 HA GLU A 85 5.556 24.336 -9.852 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.247 23.938 -10.682 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.641 22.258 -10.986 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.356 22.466 -8.354 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.057 23.641 -8.425 1.00 0.00 H new ATOM 1419 N TYR A 86 6.919 22.491 -8.942 1.00 0.00 N ATOM 1420 CA TYR A 86 7.800 21.454 -8.418 1.00 0.00 C ATOM 1421 C TYR A 86 7.169 20.759 -7.216 1.00 0.00 C ATOM 1422 O TYR A 86 6.063 21.101 -6.796 1.00 0.00 O ATOM 1423 CB TYR A 86 9.151 22.055 -8.024 1.00 0.00 C ATOM 1424 CG TYR A 86 9.144 22.720 -6.666 1.00 0.00 C ATOM 1425 CD1 TYR A 86 8.681 24.020 -6.510 1.00 0.00 C ATOM 1426 CD2 TYR A 86 9.603 22.048 -5.540 1.00 0.00 C ATOM 1427 CE1 TYR A 86 8.674 24.632 -5.272 1.00 0.00 C ATOM 1428 CE2 TYR A 86 9.598 22.652 -4.297 1.00 0.00 C ATOM 1429 CZ TYR A 86 9.133 23.944 -4.168 1.00 0.00 C ATOM 1430 OH TYR A 86 9.128 24.549 -2.932 1.00 0.00 O ATOM 0 H TYR A 86 6.896 23.345 -8.385 1.00 0.00 H new ATOM 0 HA TYR A 86 7.954 20.713 -9.202 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.905 21.268 -8.030 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.447 22.786 -8.776 1.00 0.00 H new ATOM 0 HD1 TYR A 86 8.320 24.562 -7.372 1.00 0.00 H new ATOM 0 HD2 TYR A 86 9.970 21.037 -5.638 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.311 25.644 -5.169 1.00 0.00 H new ATOM 0 HE2 TYR A 86 9.956 22.115 -3.431 1.00 0.00 H new ATOM 0 HH TYR A 86 9.482 23.928 -2.262 1.00 0.00 H new ATOM 1440 N PHE A 87 7.881 19.781 -6.665 1.00 0.00 N ATOM 1441 CA PHE A 87 7.392 19.037 -5.511 1.00 0.00 C ATOM 1442 C PHE A 87 8.488 18.881 -4.461 1.00 0.00 C ATOM 1443 O PHE A 87 9.676 18.936 -4.776 1.00 0.00 O ATOM 1444 CB PHE A 87 6.885 17.660 -5.943 1.00 0.00 C ATOM 1445 CG PHE A 87 5.698 17.720 -6.862 1.00 0.00 C ATOM 1446 CD1 PHE A 87 5.843 18.140 -8.175 1.00 0.00 C ATOM 1447 CD2 PHE A 87 4.439 17.355 -6.415 1.00 0.00 C ATOM 1448 CE1 PHE A 87 4.753 18.197 -9.023 1.00 0.00 C ATOM 1449 CE2 PHE A 87 3.345 17.410 -7.258 1.00 0.00 C ATOM 1450 CZ PHE A 87 3.503 17.830 -8.564 1.00 0.00 C ATOM 0 H PHE A 87 8.798 19.486 -6.999 1.00 0.00 H new ATOM 0 HA PHE A 87 6.568 19.598 -5.071 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.693 17.124 -6.441 1.00 0.00 H new ATOM 0 HB3 PHE A 87 6.619 17.085 -5.056 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.819 18.426 -8.539 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.310 17.023 -5.395 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.879 18.528 -10.043 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.368 17.125 -6.896 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.650 17.871 -9.226 1.00 0.00 H new ATOM 1460 N GLU A 88 8.079 18.686 -3.211 1.00 0.00 N ATOM 1461 CA GLU A 88 9.026 18.523 -2.114 1.00 0.00 C ATOM 1462 C GLU A 88 8.732 17.251 -1.325 1.00 0.00 C ATOM 1463 O GLU A 88 9.229 17.067 -0.214 1.00 0.00 O ATOM 1464 CB GLU A 88 8.975 19.737 -1.183 1.00 0.00 C ATOM 1465 CG GLU A 88 10.224 19.905 -0.334 1.00 0.00 C ATOM 1466 CD GLU A 88 9.941 19.783 1.151 1.00 0.00 C ATOM 1467 OE1 GLU A 88 9.011 20.463 1.634 1.00 0.00 O ATOM 1468 OE2 GLU A 88 10.648 19.009 1.829 1.00 0.00 O ATOM 0 H GLU A 88 7.099 18.637 -2.933 1.00 0.00 H new ATOM 0 HA GLU A 88 10.026 18.442 -2.540 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.828 20.637 -1.781 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.109 19.645 -0.527 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.959 19.154 -0.623 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.668 20.880 -0.537 1.00 0.00 H new ATOM 1475 N ASP A 89 7.920 16.376 -1.908 1.00 0.00 N ATOM 1476 CA ASP A 89 7.559 15.119 -1.261 1.00 0.00 C ATOM 1477 C ASP A 89 8.042 13.927 -2.081 1.00 0.00 C ATOM 1478 O ASP A 89 8.164 12.815 -1.566 1.00 0.00 O ATOM 1479 CB ASP A 89 6.044 15.039 -1.065 1.00 0.00 C ATOM 1480 CG ASP A 89 5.534 16.060 -0.067 1.00 0.00 C ATOM 1481 OD1 ASP A 89 6.236 17.068 0.161 1.00 0.00 O ATOM 1482 OD2 ASP A 89 4.434 15.851 0.487 1.00 0.00 O ATOM 0 H ASP A 89 7.499 16.513 -2.827 1.00 0.00 H new ATOM 0 HA ASP A 89 8.046 15.087 -0.286 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.548 15.193 -2.023 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.777 14.038 -0.725 1.00 0.00 H new ATOM 1487 N LEU A 90 8.314 14.166 -3.359 1.00 0.00 N ATOM 1488 CA LEU A 90 8.783 13.112 -4.251 1.00 0.00 C ATOM 1489 C LEU A 90 10.144 12.586 -3.805 1.00 0.00 C ATOM 1490 O LEU A 90 10.580 11.519 -4.237 1.00 0.00 O ATOM 1491 CB LEU A 90 8.872 13.634 -5.686 1.00 0.00 C ATOM 1492 CG LEU A 90 7.584 14.218 -6.269 1.00 0.00 C ATOM 1493 CD1 LEU A 90 7.735 14.459 -7.763 1.00 0.00 C ATOM 1494 CD2 LEU A 90 6.407 13.294 -5.992 1.00 0.00 C ATOM 0 H LEU A 90 8.218 15.080 -3.801 1.00 0.00 H new ATOM 0 HA LEU A 90 8.066 12.292 -4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.645 14.401 -5.725 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.200 12.817 -6.329 1.00 0.00 H new ATOM 0 HG LEU A 90 7.390 15.176 -5.786 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.809 14.875 -8.160 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.551 15.160 -7.938 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.953 13.516 -8.263 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.499 13.725 -6.414 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.593 12.322 -6.448 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.285 13.173 -4.916 1.00 0.00 H new ATOM 1506 N ASP A 91 10.808 13.341 -2.937 1.00 0.00 N ATOM 1507 CA ASP A 91 12.118 12.949 -2.428 1.00 0.00 C ATOM 1508 C ASP A 91 11.982 12.133 -1.146 1.00 0.00 C ATOM 1509 O ASP A 91 12.956 11.928 -0.422 1.00 0.00 O ATOM 1510 CB ASP A 91 12.980 14.186 -2.172 1.00 0.00 C ATOM 1511 CG ASP A 91 14.461 13.902 -2.329 1.00 0.00 C ATOM 1512 OD1 ASP A 91 14.808 12.792 -2.783 1.00 0.00 O ATOM 1513 OD2 ASP A 91 15.273 14.791 -1.999 1.00 0.00 O ATOM 0 H ASP A 91 10.461 14.228 -2.571 1.00 0.00 H new ATOM 0 HA ASP A 91 12.602 12.328 -3.182 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.689 14.977 -2.863 1.00 0.00 H new ATOM 0 HB3 ASP A 91 12.789 14.556 -1.165 1.00 0.00 H new ATOM 1518 N LEU A 92 10.767 11.672 -0.872 1.00 0.00 N ATOM 1519 CA LEU A 92 10.502 10.879 0.324 1.00 0.00 C ATOM 1520 C LEU A 92 9.567 9.715 0.010 1.00 0.00 C ATOM 1521 O LEU A 92 8.366 9.890 -0.197 1.00 0.00 O ATOM 1522 CB LEU A 92 9.891 11.757 1.418 1.00 0.00 C ATOM 1523 CG LEU A 92 10.402 13.197 1.485 1.00 0.00 C ATOM 1524 CD1 LEU A 92 9.416 14.078 2.236 1.00 0.00 C ATOM 1525 CD2 LEU A 92 11.773 13.246 2.143 1.00 0.00 C ATOM 0 H LEU A 92 9.950 11.833 -1.461 1.00 0.00 H new ATOM 0 HA LEU A 92 11.450 10.475 0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.811 11.782 1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.074 11.282 2.382 1.00 0.00 H new ATOM 0 HG LEU A 92 10.496 13.577 0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.796 15.099 2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.454 14.067 1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 92 9.290 13.700 3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.121 14.278 2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.705 12.847 3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.476 12.648 1.564 1.00 0.00 H new ATOM 1537 N PRO A 93 10.129 8.498 -0.025 1.00 0.00 N ATOM 1538 CA PRO A 93 9.363 7.281 -0.311 1.00 0.00 C ATOM 1539 C PRO A 93 8.411 6.916 0.823 1.00 0.00 C ATOM 1540 O PRO A 93 7.612 5.986 0.703 1.00 0.00 O ATOM 1541 CB PRO A 93 10.445 6.209 -0.466 1.00 0.00 C ATOM 1542 CG PRO A 93 11.598 6.717 0.329 1.00 0.00 C ATOM 1543 CD PRO A 93 11.555 8.215 0.211 1.00 0.00 C ATOM 0 HA PRO A 93 8.728 7.396 -1.190 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.102 5.244 -0.094 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.717 6.069 -1.512 1.00 0.00 H new ATOM 0 HG2 PRO A 93 11.521 6.405 1.371 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.539 6.322 -0.053 1.00 0.00 H new ATOM 0 HD2 PRO A 93 11.916 8.700 1.118 1.00 0.00 H new ATOM 0 HD3 PRO A 93 12.177 8.571 -0.610 1.00 0.00 H new ATOM 1551 N THR A 94 8.499 7.654 1.925 1.00 0.00 N ATOM 1552 CA THR A 94 7.646 7.408 3.081 1.00 0.00 C ATOM 1553 C THR A 94 6.396 8.280 3.037 1.00 0.00 C ATOM 1554 O THR A 94 5.319 7.860 3.460 1.00 0.00 O ATOM 1555 CB THR A 94 8.397 7.672 4.400 1.00 0.00 C ATOM 1556 OG1 THR A 94 8.873 9.022 4.430 1.00 0.00 O ATOM 1557 CG2 THR A 94 9.566 6.712 4.558 1.00 0.00 C ATOM 0 H THR A 94 9.153 8.428 2.041 1.00 0.00 H new ATOM 0 HA THR A 94 7.355 6.358 3.042 1.00 0.00 H new ATOM 0 HB THR A 94 7.704 7.513 5.226 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.348 9.183 5.272 1.00 0.00 H new ATOM 0 HG21 THR A 94 10.081 6.917 5.496 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.196 5.687 4.564 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.259 6.843 3.727 1.00 0.00 H new ATOM 1565 N LYS A 95 6.546 9.495 2.522 1.00 0.00 N ATOM 1566 CA LYS A 95 5.429 10.427 2.421 1.00 0.00 C ATOM 1567 C LYS A 95 4.286 9.819 1.615 1.00 0.00 C ATOM 1568 O LYS A 95 3.158 9.715 2.099 1.00 0.00 O ATOM 1569 CB LYS A 95 5.887 11.735 1.771 1.00 0.00 C ATOM 1570 CG LYS A 95 5.281 12.974 2.407 1.00 0.00 C ATOM 1571 CD LYS A 95 5.754 13.153 3.840 1.00 0.00 C ATOM 1572 CE LYS A 95 6.253 14.568 4.090 1.00 0.00 C ATOM 1573 NZ LYS A 95 5.131 15.540 4.201 1.00 0.00 N ATOM 0 H LYS A 95 7.431 9.858 2.168 1.00 0.00 H new ATOM 0 HA LYS A 95 5.069 10.636 3.428 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.973 11.800 1.831 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.627 11.716 0.713 1.00 0.00 H new ATOM 0 HG2 LYS A 95 5.550 13.853 1.822 1.00 0.00 H new ATOM 0 HG3 LYS A 95 4.194 12.899 2.388 1.00 0.00 H new ATOM 0 HD2 LYS A 95 4.936 12.928 4.525 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.552 12.442 4.052 1.00 0.00 H new ATOM 0 HE2 LYS A 95 6.843 14.588 5.006 1.00 0.00 H new ATOM 0 HE3 LYS A 95 6.915 14.869 3.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 5.512 16.492 4.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 4.583 15.539 3.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 4.513 15.268 4.992 1.00 0.00 H new ATOM 1587 N LEU A 96 4.583 9.419 0.383 1.00 0.00 N ATOM 1588 CA LEU A 96 3.580 8.820 -0.490 1.00 0.00 C ATOM 1589 C LEU A 96 2.896 7.641 0.195 1.00 0.00 C ATOM 1590 O LEU A 96 1.668 7.547 0.215 1.00 0.00 O ATOM 1591 CB LEU A 96 4.223 8.361 -1.799 1.00 0.00 C ATOM 1592 CG LEU A 96 4.952 9.438 -2.603 1.00 0.00 C ATOM 1593 CD1 LEU A 96 4.350 10.807 -2.329 1.00 0.00 C ATOM 1594 CD2 LEU A 96 6.438 9.432 -2.278 1.00 0.00 C ATOM 0 H LEU A 96 5.511 9.499 -0.034 1.00 0.00 H new ATOM 0 HA LEU A 96 2.826 9.576 -0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.931 7.564 -1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.446 7.928 -2.430 1.00 0.00 H new ATOM 0 HG LEU A 96 4.832 9.217 -3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.881 11.561 -2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.298 10.805 -2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.439 11.038 -1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.941 10.205 -2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 96 6.579 9.628 -1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.861 8.459 -2.526 1.00 0.00 H new ATOM 1606 N LEU A 97 3.698 6.744 0.757 1.00 0.00 N ATOM 1607 CA LEU A 97 3.171 5.571 1.446 1.00 0.00 C ATOM 1608 C LEU A 97 2.358 5.978 2.671 1.00 0.00 C ATOM 1609 O LEU A 97 1.470 5.248 3.110 1.00 0.00 O ATOM 1610 CB LEU A 97 4.313 4.643 1.864 1.00 0.00 C ATOM 1611 CG LEU A 97 4.609 3.476 0.921 1.00 0.00 C ATOM 1612 CD1 LEU A 97 4.717 3.964 -0.515 1.00 0.00 C ATOM 1613 CD2 LEU A 97 5.885 2.762 1.341 1.00 0.00 C ATOM 0 H LEU A 97 4.716 6.806 0.749 1.00 0.00 H new ATOM 0 HA LEU A 97 2.514 5.041 0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.220 5.239 1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.083 4.238 2.850 1.00 0.00 H new ATOM 0 HG LEU A 97 3.783 2.767 0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.928 3.120 -1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.777 4.429 -0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.523 4.693 -0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.080 1.934 0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.720 3.462 1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.770 2.378 2.354 1.00 0.00 H new