USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=19 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 Set 1.1: A 55 HIS :FLIP no HE2:sc= -0.234 F(o=-3.3,f=-1.5) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -107:sc= -1.26 (180deg=-4.94!) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.846 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.541 K(o=-0.54,f=-2.8!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0.778 K(o=0.78,f=-6.3!) USER MOD Single : A 38 ASN : amide:sc= -2.55 K(o=-2.5,f=-6.3!) USER MOD Single : A 39 MET CE :methyl -150:sc= -0.675 (180deg=-2.76!) USER MOD Single : A 43 HIS : no HD1:sc= -0.201 X(o=-0.2,f=-0.074) USER MOD Single : A 45 SER OG : rot -130:sc= -0.348 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -30:sc= -2.39! USER MOD Single : A 63 SER OG : rot -73:sc= 0.944 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0208 USER MOD Single : A 70 LYS NZ :NH3+ 158:sc= -0.633 (180deg=-1.55) USER MOD Single : A 73 CYS SG : rot -50:sc= 0.399 USER MOD Single : A 75 ASN : amide:sc= -0.526 X(o=-0.53,f=-0.082) USER MOD Single : A 77 LYS NZ :NH3+ -164:sc= -0.985 (180deg=-1.62) USER MOD Single : A 82 ASN : amide:sc= -1.05 X(o=-1,f=-0.64) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN :FLIP amide:sc= -0.114 F(o=-1.2,f=-0.11) 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 5.586 -2.961 -3.929 1.00 0.00 N ATOM 28 CA THR A 3 6.676 -2.742 -4.872 1.00 0.00 C ATOM 29 C THR A 3 8.023 -2.720 -4.160 1.00 0.00 C ATOM 30 O THR A 3 8.144 -2.262 -3.023 1.00 0.00 O ATOM 31 CB THR A 3 6.494 -1.422 -5.644 1.00 0.00 C ATOM 32 OG1 THR A 3 7.714 -1.069 -6.306 1.00 0.00 O ATOM 33 CG2 THR A 3 6.078 -0.299 -4.705 1.00 0.00 C ATOM 0 HA THR A 3 6.655 -3.573 -5.578 1.00 0.00 H new ATOM 0 HB THR A 3 5.707 -1.566 -6.385 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.589 -0.229 -6.796 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.955 0.623 -5.273 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.134 -0.557 -4.224 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.846 -0.158 -3.944 1.00 0.00 H new ATOM 41 N PRO A 4 9.062 -3.225 -4.841 1.00 0.00 N ATOM 42 CA PRO A 4 10.421 -3.273 -4.293 1.00 0.00 C ATOM 43 C PRO A 4 11.047 -1.888 -4.173 1.00 0.00 C ATOM 44 O PRO A 4 11.588 -1.529 -3.127 1.00 0.00 O ATOM 45 CB PRO A 4 11.185 -4.120 -5.313 1.00 0.00 C ATOM 46 CG PRO A 4 10.435 -3.946 -6.588 1.00 0.00 C ATOM 47 CD PRO A 4 8.990 -3.788 -6.200 1.00 0.00 C ATOM 0 HA PRO A 4 10.439 -3.680 -3.282 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.217 -3.785 -5.412 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.218 -5.167 -5.013 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.790 -3.072 -7.134 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.572 -4.807 -7.242 1.00 0.00 H new ATOM 0 HD2 PRO A 4 8.461 -3.123 -6.883 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.464 -4.742 -6.212 1.00 0.00 H new ATOM 55 N ARG A 5 10.969 -1.114 -5.250 1.00 0.00 N ATOM 56 CA ARG A 5 11.529 0.232 -5.266 1.00 0.00 C ATOM 57 C ARG A 5 10.785 1.120 -6.260 1.00 0.00 C ATOM 58 O ARG A 5 10.118 0.627 -7.169 1.00 0.00 O ATOM 59 CB ARG A 5 13.016 0.185 -5.622 1.00 0.00 C ATOM 60 CG ARG A 5 13.923 -0.029 -4.421 1.00 0.00 C ATOM 61 CD ARG A 5 14.366 -1.480 -4.309 1.00 0.00 C ATOM 62 NE ARG A 5 15.790 -1.641 -4.591 1.00 0.00 N ATOM 63 CZ ARG A 5 16.751 -1.265 -3.755 1.00 0.00 C ATOM 64 NH1 ARG A 5 16.443 -0.709 -2.592 1.00 0.00 N ATOM 65 NH2 ARG A 5 18.024 -1.445 -4.083 1.00 0.00 N ATOM 0 H ARG A 5 10.523 -1.396 -6.123 1.00 0.00 H new ATOM 0 HA ARG A 5 11.414 0.657 -4.269 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.184 -0.617 -6.341 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.293 1.117 -6.114 1.00 0.00 H new ATOM 0 HG2 ARG A 5 14.799 0.614 -4.506 1.00 0.00 H new ATOM 0 HG3 ARG A 5 13.399 0.264 -3.511 1.00 0.00 H new ATOM 0 HD2 ARG A 5 14.151 -1.848 -3.306 1.00 0.00 H new ATOM 0 HD3 ARG A 5 13.788 -2.090 -5.003 1.00 0.00 H new ATOM 0 HE ARG A 5 16.061 -2.065 -5.478 1.00 0.00 H new ATOM 0 HH11 ARG A 5 15.465 -0.569 -2.337 1.00 0.00 H new ATOM 0 HH12 ARG A 5 17.184 -0.421 -1.952 1.00 0.00 H new ATOM 0 HH21 ARG A 5 18.265 -1.872 -4.977 1.00 0.00 H new ATOM 0 HH22 ARG A 5 18.762 -1.156 -3.441 1.00 0.00 H new ATOM 79 N PHE A 6 10.904 2.431 -6.079 1.00 0.00 N ATOM 80 CA PHE A 6 10.242 3.387 -6.959 1.00 0.00 C ATOM 81 C PHE A 6 10.678 4.814 -6.638 1.00 0.00 C ATOM 82 O PHE A 6 10.684 5.226 -5.478 1.00 0.00 O ATOM 83 CB PHE A 6 8.723 3.264 -6.829 1.00 0.00 C ATOM 84 CG PHE A 6 8.190 3.773 -5.520 1.00 0.00 C ATOM 85 CD1 PHE A 6 8.080 2.929 -4.427 1.00 0.00 C ATOM 86 CD2 PHE A 6 7.798 5.095 -5.384 1.00 0.00 C ATOM 87 CE1 PHE A 6 7.590 3.395 -3.221 1.00 0.00 C ATOM 88 CE2 PHE A 6 7.308 5.566 -4.180 1.00 0.00 C ATOM 89 CZ PHE A 6 7.203 4.715 -3.098 1.00 0.00 C ATOM 0 H PHE A 6 11.452 2.856 -5.331 1.00 0.00 H new ATOM 0 HA PHE A 6 10.531 3.160 -7.985 1.00 0.00 H new ATOM 0 HB2 PHE A 6 8.251 3.814 -7.643 1.00 0.00 H new ATOM 0 HB3 PHE A 6 8.440 2.218 -6.945 1.00 0.00 H new ATOM 0 HD1 PHE A 6 8.380 1.896 -4.518 1.00 0.00 H new ATOM 0 HD2 PHE A 6 7.876 5.765 -6.228 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.510 2.727 -2.376 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.008 6.599 -4.086 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.819 5.081 -2.157 1.00 0.00 H new ATOM 99 N SER A 7 11.041 5.562 -7.674 1.00 0.00 N ATOM 100 CA SER A 7 11.483 6.942 -7.503 1.00 0.00 C ATOM 101 C SER A 7 10.649 7.889 -8.360 1.00 0.00 C ATOM 102 O SER A 7 10.273 7.558 -9.484 1.00 0.00 O ATOM 103 CB SER A 7 12.962 7.075 -7.867 1.00 0.00 C ATOM 104 OG SER A 7 13.787 6.488 -6.875 1.00 0.00 O ATOM 0 H SER A 7 11.038 5.237 -8.641 1.00 0.00 H new ATOM 0 HA SER A 7 11.349 7.214 -6.456 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.147 6.596 -8.828 1.00 0.00 H new ATOM 0 HB3 SER A 7 13.218 8.128 -7.981 1.00 0.00 H new ATOM 0 HG SER A 7 14.728 6.585 -7.132 1.00 0.00 H new ATOM 110 N ILE A 8 10.363 9.069 -7.819 1.00 0.00 N ATOM 111 CA ILE A 8 9.575 10.065 -8.534 1.00 0.00 C ATOM 112 C ILE A 8 10.430 11.267 -8.923 1.00 0.00 C ATOM 113 O ILE A 8 11.310 11.687 -8.171 1.00 0.00 O ATOM 114 CB ILE A 8 8.382 10.550 -7.690 1.00 0.00 C ATOM 115 CG1 ILE A 8 7.726 9.371 -6.970 1.00 0.00 C ATOM 116 CG2 ILE A 8 7.370 11.271 -8.568 1.00 0.00 C ATOM 117 CD1 ILE A 8 6.522 9.762 -6.141 1.00 0.00 C ATOM 0 H ILE A 8 10.665 9.358 -6.889 1.00 0.00 H new ATOM 0 HA ILE A 8 9.199 9.582 -9.436 1.00 0.00 H new ATOM 0 HB ILE A 8 8.748 11.251 -6.940 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.423 8.628 -7.708 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.463 8.895 -6.323 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.533 11.608 -7.957 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.845 12.132 -9.039 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.007 10.591 -9.338 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.108 8.876 -5.660 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.823 10.482 -5.380 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.766 10.211 -6.786 1.00 0.00 H new ATOM 129 N THR A 9 10.164 11.819 -10.103 1.00 0.00 N ATOM 130 CA THR A 9 10.907 12.973 -10.592 1.00 0.00 C ATOM 131 C THR A 9 9.966 14.095 -11.013 1.00 0.00 C ATOM 132 O THR A 9 8.871 13.843 -11.516 1.00 0.00 O ATOM 133 CB THR A 9 11.806 12.597 -11.785 1.00 0.00 C ATOM 134 OG1 THR A 9 12.500 11.375 -11.510 1.00 0.00 O ATOM 135 CG2 THR A 9 12.811 13.702 -12.075 1.00 0.00 C ATOM 0 H THR A 9 9.439 11.485 -10.738 1.00 0.00 H new ATOM 0 HA THR A 9 11.533 13.318 -9.769 1.00 0.00 H new ATOM 0 HB THR A 9 11.172 12.465 -12.662 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.068 11.142 -12.274 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.435 13.414 -12.921 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.280 14.624 -12.313 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.440 13.861 -11.199 1.00 0.00 H new ATOM 143 N GLN A 10 10.400 15.334 -10.806 1.00 0.00 N ATOM 144 CA GLN A 10 9.594 16.495 -11.165 1.00 0.00 C ATOM 145 C GLN A 10 10.159 17.189 -12.399 1.00 0.00 C ATOM 146 O GLN A 10 11.375 17.250 -12.588 1.00 0.00 O ATOM 147 CB GLN A 10 9.531 17.480 -9.996 1.00 0.00 C ATOM 148 CG GLN A 10 9.388 16.806 -8.640 1.00 0.00 C ATOM 149 CD GLN A 10 10.723 16.584 -7.956 1.00 0.00 C ATOM 150 OE1 GLN A 10 11.775 16.625 -8.594 1.00 0.00 O ATOM 151 NE2 GLN A 10 10.686 16.346 -6.650 1.00 0.00 N ATOM 0 H GLN A 10 11.304 15.560 -10.392 1.00 0.00 H new ATOM 0 HA GLN A 10 8.586 16.149 -11.394 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.435 18.090 -9.996 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.690 18.157 -10.147 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.753 17.418 -7.999 1.00 0.00 H new ATOM 0 HG3 GLN A 10 8.885 15.847 -8.766 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.791 16.321 -6.161 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.553 16.188 -6.136 1.00 0.00 H new ATOM 160 N ASP A 11 9.271 17.711 -13.238 1.00 0.00 N ATOM 161 CA ASP A 11 9.681 18.402 -14.455 1.00 0.00 C ATOM 162 C ASP A 11 9.028 19.777 -14.546 1.00 0.00 C ATOM 163 O ASP A 11 8.212 20.144 -13.700 1.00 0.00 O ATOM 164 CB ASP A 11 9.320 17.569 -15.686 1.00 0.00 C ATOM 165 CG ASP A 11 9.413 16.079 -15.425 1.00 0.00 C ATOM 166 OD1 ASP A 11 10.398 15.648 -14.788 1.00 0.00 O ATOM 167 OD2 ASP A 11 8.501 15.343 -15.856 1.00 0.00 O ATOM 0 H ASP A 11 8.262 17.669 -13.097 1.00 0.00 H new ATOM 0 HA ASP A 11 10.762 18.536 -14.421 1.00 0.00 H new ATOM 0 HB2 ASP A 11 8.307 17.817 -16.004 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.986 17.833 -16.508 1.00 0.00 H new ATOM 172 N GLU A 12 9.393 20.534 -15.576 1.00 0.00 N ATOM 173 CA GLU A 12 8.843 21.869 -15.775 1.00 0.00 C ATOM 174 C GLU A 12 7.614 21.822 -16.678 1.00 0.00 C ATOM 175 O GLU A 12 7.194 22.842 -17.224 1.00 0.00 O ATOM 176 CB GLU A 12 9.900 22.795 -16.381 1.00 0.00 C ATOM 177 CG GLU A 12 10.202 22.500 -17.841 1.00 0.00 C ATOM 178 CD GLU A 12 11.308 23.376 -18.396 1.00 0.00 C ATOM 179 OE1 GLU A 12 12.491 23.011 -18.238 1.00 0.00 O ATOM 180 OE2 GLU A 12 10.989 24.428 -18.990 1.00 0.00 O ATOM 0 H GLU A 12 10.067 20.245 -16.285 1.00 0.00 H new ATOM 0 HA GLU A 12 8.543 22.259 -14.802 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.562 23.827 -16.290 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.820 22.709 -15.804 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.486 21.453 -17.945 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.298 22.645 -18.432 1.00 0.00 H new ATOM 187 N GLU A 13 7.043 20.631 -16.830 1.00 0.00 N ATOM 188 CA GLU A 13 5.863 20.451 -17.668 1.00 0.00 C ATOM 189 C GLU A 13 4.922 19.412 -17.066 1.00 0.00 C ATOM 190 O GLU A 13 3.702 19.573 -17.094 1.00 0.00 O ATOM 191 CB GLU A 13 6.273 20.028 -19.080 1.00 0.00 C ATOM 192 CG GLU A 13 7.563 19.226 -19.124 1.00 0.00 C ATOM 193 CD GLU A 13 7.950 18.821 -20.534 1.00 0.00 C ATOM 194 OE1 GLU A 13 7.308 19.306 -21.488 1.00 0.00 O ATOM 195 OE2 GLU A 13 8.895 18.018 -20.681 1.00 0.00 O ATOM 0 H GLU A 13 7.378 19.777 -16.384 1.00 0.00 H new ATOM 0 HA GLU A 13 5.337 21.404 -17.721 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.471 19.435 -19.520 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.387 20.918 -19.698 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.368 19.815 -18.685 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.452 18.332 -18.511 1.00 0.00 H new ATOM 202 N PHE A 14 5.498 18.345 -16.523 1.00 0.00 N ATOM 203 CA PHE A 14 4.712 17.278 -15.915 1.00 0.00 C ATOM 204 C PHE A 14 5.549 16.489 -14.912 1.00 0.00 C ATOM 205 O PHE A 14 6.699 16.834 -14.640 1.00 0.00 O ATOM 206 CB PHE A 14 4.169 16.338 -16.994 1.00 0.00 C ATOM 207 CG PHE A 14 5.236 15.768 -17.884 1.00 0.00 C ATOM 208 CD1 PHE A 14 5.690 16.477 -18.985 1.00 0.00 C ATOM 209 CD2 PHE A 14 5.784 14.523 -17.621 1.00 0.00 C ATOM 210 CE1 PHE A 14 6.672 15.956 -19.806 1.00 0.00 C ATOM 211 CE2 PHE A 14 6.767 13.997 -18.439 1.00 0.00 C ATOM 212 CZ PHE A 14 7.210 14.713 -19.533 1.00 0.00 C ATOM 0 H PHE A 14 6.507 18.196 -16.492 1.00 0.00 H new ATOM 0 HA PHE A 14 3.876 17.734 -15.385 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.631 15.520 -16.515 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.447 16.879 -17.606 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.271 17.448 -19.204 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.440 13.957 -16.768 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.018 16.520 -20.660 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.188 13.026 -18.222 1.00 0.00 H new ATOM 0 HZ PHE A 14 7.976 14.302 -20.174 1.00 0.00 H new ATOM 222 N ILE A 15 4.962 15.430 -14.365 1.00 0.00 N ATOM 223 CA ILE A 15 5.653 14.592 -13.392 1.00 0.00 C ATOM 224 C ILE A 15 6.058 13.256 -14.007 1.00 0.00 C ATOM 225 O ILE A 15 5.316 12.674 -14.798 1.00 0.00 O ATOM 226 CB ILE A 15 4.778 14.330 -12.152 1.00 0.00 C ATOM 227 CG1 ILE A 15 4.891 15.493 -11.165 1.00 0.00 C ATOM 228 CG2 ILE A 15 5.180 13.022 -11.487 1.00 0.00 C ATOM 229 CD1 ILE A 15 6.244 15.587 -10.495 1.00 0.00 C ATOM 0 H ILE A 15 4.010 15.132 -14.579 1.00 0.00 H new ATOM 0 HA ILE A 15 6.547 15.135 -13.086 1.00 0.00 H new ATOM 0 HB ILE A 15 3.739 14.249 -12.470 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.689 16.426 -11.691 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.122 15.386 -10.400 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.553 12.851 -10.612 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.051 12.201 -12.192 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.224 13.076 -11.180 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.252 16.434 -9.809 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.440 14.669 -9.941 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.016 15.726 -11.252 1.00 0.00 H new ATOM 241 N PHE A 16 7.240 12.775 -13.636 1.00 0.00 N ATOM 242 CA PHE A 16 7.744 11.507 -14.150 1.00 0.00 C ATOM 243 C PHE A 16 8.016 10.528 -13.011 1.00 0.00 C ATOM 244 O PHE A 16 9.010 10.651 -12.295 1.00 0.00 O ATOM 245 CB PHE A 16 9.022 11.732 -14.959 1.00 0.00 C ATOM 246 CG PHE A 16 9.804 10.474 -15.209 1.00 0.00 C ATOM 247 CD1 PHE A 16 9.174 9.334 -15.681 1.00 0.00 C ATOM 248 CD2 PHE A 16 11.168 10.431 -14.971 1.00 0.00 C ATOM 249 CE1 PHE A 16 9.890 8.174 -15.912 1.00 0.00 C ATOM 250 CE2 PHE A 16 11.889 9.275 -15.201 1.00 0.00 C ATOM 251 CZ PHE A 16 11.249 8.145 -15.671 1.00 0.00 C ATOM 0 H PHE A 16 7.866 13.244 -12.982 1.00 0.00 H new ATOM 0 HA PHE A 16 6.981 11.079 -14.800 1.00 0.00 H new ATOM 0 HB2 PHE A 16 8.762 12.184 -15.916 1.00 0.00 H new ATOM 0 HB3 PHE A 16 9.655 12.445 -14.431 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.111 9.352 -15.871 1.00 0.00 H new ATOM 0 HD2 PHE A 16 11.674 11.311 -14.602 1.00 0.00 H new ATOM 0 HE1 PHE A 16 9.387 7.292 -16.280 1.00 0.00 H new ATOM 0 HE2 PHE A 16 12.952 9.255 -15.013 1.00 0.00 H new ATOM 0 HZ PHE A 16 11.811 7.240 -15.850 1.00 0.00 H new ATOM 261 N LEU A 17 7.124 9.556 -12.849 1.00 0.00 N ATOM 262 CA LEU A 17 7.266 8.556 -11.797 1.00 0.00 C ATOM 263 C LEU A 17 7.850 7.260 -12.353 1.00 0.00 C ATOM 264 O LEU A 17 7.311 6.678 -13.294 1.00 0.00 O ATOM 265 CB LEU A 17 5.912 8.279 -11.143 1.00 0.00 C ATOM 266 CG LEU A 17 5.749 6.906 -10.490 1.00 0.00 C ATOM 267 CD1 LEU A 17 6.725 6.746 -9.334 1.00 0.00 C ATOM 268 CD2 LEU A 17 4.318 6.708 -10.013 1.00 0.00 C ATOM 0 H LEU A 17 6.296 9.440 -13.433 1.00 0.00 H new ATOM 0 HA LEU A 17 7.951 8.949 -11.046 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.734 9.042 -10.386 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.136 8.394 -11.900 1.00 0.00 H new ATOM 0 HG LEU A 17 5.971 6.142 -11.235 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.595 5.763 -8.881 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.746 6.843 -9.704 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.535 7.517 -8.588 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.221 5.725 -9.551 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.068 7.478 -9.283 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.638 6.778 -10.862 1.00 0.00 H new ATOM 280 N LYS A 18 8.953 6.813 -11.763 1.00 0.00 N ATOM 281 CA LYS A 18 9.608 5.585 -12.195 1.00 0.00 C ATOM 282 C LYS A 18 9.448 4.486 -11.150 1.00 0.00 C ATOM 283 O LYS A 18 9.574 4.734 -9.950 1.00 0.00 O ATOM 284 CB LYS A 18 11.094 5.841 -12.458 1.00 0.00 C ATOM 285 CG LYS A 18 11.990 5.482 -11.285 1.00 0.00 C ATOM 286 CD LYS A 18 13.438 5.852 -11.555 1.00 0.00 C ATOM 287 CE LYS A 18 13.602 7.351 -11.757 1.00 0.00 C ATOM 288 NZ LYS A 18 14.959 7.819 -11.361 1.00 0.00 N ATOM 0 H LYS A 18 9.412 7.284 -10.983 1.00 0.00 H new ATOM 0 HA LYS A 18 9.133 5.255 -13.119 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.404 5.266 -13.331 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.235 6.894 -12.703 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.643 5.998 -10.390 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.918 4.413 -11.085 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.060 5.526 -10.721 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.791 5.324 -12.441 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.424 7.598 -12.804 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.850 7.881 -11.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.031 8.845 -11.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.120 7.606 -10.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.676 7.333 -11.937 1.00 0.00 H new ATOM 302 N ILE A 19 9.171 3.271 -11.613 1.00 0.00 N ATOM 303 CA ILE A 19 8.996 2.134 -10.718 1.00 0.00 C ATOM 304 C ILE A 19 9.943 0.996 -11.083 1.00 0.00 C ATOM 305 O ILE A 19 10.076 0.637 -12.253 1.00 0.00 O ATOM 306 CB ILE A 19 7.548 1.612 -10.747 1.00 0.00 C ATOM 307 CG1 ILE A 19 6.569 2.737 -10.404 1.00 0.00 C ATOM 308 CG2 ILE A 19 7.385 0.448 -9.782 1.00 0.00 C ATOM 309 CD1 ILE A 19 5.869 3.318 -11.612 1.00 0.00 C ATOM 0 H ILE A 19 9.063 3.049 -12.603 1.00 0.00 H new ATOM 0 HA ILE A 19 9.226 2.486 -9.712 1.00 0.00 H new ATOM 0 HB ILE A 19 7.326 1.258 -11.754 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.821 2.357 -9.708 1.00 0.00 H new ATOM 0 HG13 ILE A 19 7.108 3.532 -9.889 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.356 0.090 -9.814 1.00 0.00 H new ATOM 0 HG22 ILE A 19 8.059 -0.359 -10.069 1.00 0.00 H new ATOM 0 HG23 ILE A 19 7.623 0.778 -8.771 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.191 4.110 -11.294 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.609 3.729 -12.299 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.302 2.535 -12.115 1.00 0.00 H new ATOM 321 N PHE A 20 10.598 0.432 -10.074 1.00 0.00 N ATOM 322 CA PHE A 20 11.532 -0.667 -10.288 1.00 0.00 C ATOM 323 C PHE A 20 10.830 -2.014 -10.147 1.00 0.00 C ATOM 324 O PHE A 20 10.142 -2.266 -9.157 1.00 0.00 O ATOM 325 CB PHE A 20 12.693 -0.578 -9.296 1.00 0.00 C ATOM 326 CG PHE A 20 13.554 0.637 -9.488 1.00 0.00 C ATOM 327 CD1 PHE A 20 14.601 0.625 -10.396 1.00 0.00 C ATOM 328 CD2 PHE A 20 13.317 1.792 -8.760 1.00 0.00 C ATOM 329 CE1 PHE A 20 15.395 1.742 -10.574 1.00 0.00 C ATOM 330 CE2 PHE A 20 14.108 2.913 -8.934 1.00 0.00 C ATOM 331 CZ PHE A 20 15.147 2.888 -9.843 1.00 0.00 C ATOM 0 H PHE A 20 10.499 0.718 -9.100 1.00 0.00 H new ATOM 0 HA PHE A 20 11.923 -0.586 -11.302 1.00 0.00 H new ATOM 0 HB2 PHE A 20 12.294 -0.574 -8.282 1.00 0.00 H new ATOM 0 HB3 PHE A 20 13.311 -1.470 -9.392 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.799 -0.268 -10.971 1.00 0.00 H new ATOM 0 HD2 PHE A 20 12.505 1.817 -8.048 1.00 0.00 H new ATOM 0 HE1 PHE A 20 16.209 1.719 -11.284 1.00 0.00 H new ATOM 0 HE2 PHE A 20 13.913 3.807 -8.360 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.765 3.763 -9.982 1.00 0.00 H new ATOM 341 N ILE A 21 11.007 -2.874 -11.144 1.00 0.00 N ATOM 342 CA ILE A 21 10.390 -4.195 -11.131 1.00 0.00 C ATOM 343 C ILE A 21 11.236 -5.204 -11.901 1.00 0.00 C ATOM 344 O ILE A 21 11.957 -4.843 -12.832 1.00 0.00 O ATOM 345 CB ILE A 21 8.974 -4.162 -11.736 1.00 0.00 C ATOM 346 CG1 ILE A 21 9.027 -3.681 -13.187 1.00 0.00 C ATOM 347 CG2 ILE A 21 8.066 -3.265 -10.908 1.00 0.00 C ATOM 348 CD1 ILE A 21 7.829 -4.105 -14.008 1.00 0.00 C ATOM 0 H ILE A 21 11.572 -2.680 -11.971 1.00 0.00 H new ATOM 0 HA ILE A 21 10.323 -4.501 -10.087 1.00 0.00 H new ATOM 0 HB ILE A 21 8.565 -5.172 -11.723 1.00 0.00 H new ATOM 0 HG12 ILE A 21 9.099 -2.593 -13.198 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.933 -4.065 -13.656 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.069 -3.252 -11.348 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.008 -3.647 -9.889 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.470 -2.253 -10.893 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.934 -3.729 -15.026 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.768 -5.193 -14.027 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.921 -3.699 -13.563 1.00 0.00 H new ATOM 492 N LEU A 31 -2.572 -3.540 -16.612 1.00 0.00 N ATOM 493 CA LEU A 31 -1.868 -2.264 -16.693 1.00 0.00 C ATOM 494 C LEU A 31 -2.834 -1.129 -17.017 1.00 0.00 C ATOM 495 O LEU A 31 -3.414 -1.085 -18.101 1.00 0.00 O ATOM 496 CB LEU A 31 -0.770 -2.333 -17.756 1.00 0.00 C ATOM 497 CG LEU A 31 -0.096 -3.693 -17.938 1.00 0.00 C ATOM 498 CD1 LEU A 31 0.962 -3.623 -19.028 1.00 0.00 C ATOM 499 CD2 LEU A 31 0.515 -4.166 -16.628 1.00 0.00 C ATOM 0 HA LEU A 31 -1.414 -2.064 -15.722 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.198 -2.031 -18.712 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.003 -1.600 -17.505 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.854 -4.414 -18.242 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.431 -4.600 -19.143 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.496 -3.331 -19.969 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.719 -2.888 -18.754 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.990 -5.136 -16.777 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.260 -3.445 -16.293 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.267 -4.257 -15.874 1.00 0.00 H new ATOM 511 N GLU A 32 -3.000 -0.212 -16.069 1.00 0.00 N ATOM 512 CA GLU A 32 -3.895 0.925 -16.254 1.00 0.00 C ATOM 513 C GLU A 32 -3.798 1.891 -15.078 1.00 0.00 C ATOM 514 O GLU A 32 -4.648 1.889 -14.187 1.00 0.00 O ATOM 515 CB GLU A 32 -5.338 0.444 -16.416 1.00 0.00 C ATOM 516 CG GLU A 32 -6.254 1.473 -17.058 1.00 0.00 C ATOM 517 CD GLU A 32 -6.875 2.414 -16.043 1.00 0.00 C ATOM 518 OE1 GLU A 32 -7.466 1.921 -15.060 1.00 0.00 O ATOM 519 OE2 GLU A 32 -6.770 3.644 -16.234 1.00 0.00 O ATOM 0 H GLU A 32 -2.527 -0.234 -15.166 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.591 1.451 -17.159 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.344 -0.463 -17.021 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.735 0.177 -15.437 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.688 2.053 -17.787 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.045 0.959 -17.604 1.00 0.00 H new ATOM 526 N ILE A 33 -2.756 2.716 -15.081 1.00 0.00 N ATOM 527 CA ILE A 33 -2.547 3.688 -14.015 1.00 0.00 C ATOM 528 C ILE A 33 -3.531 4.847 -14.129 1.00 0.00 C ATOM 529 O ILE A 33 -3.710 5.419 -15.205 1.00 0.00 O ATOM 530 CB ILE A 33 -1.111 4.244 -14.033 1.00 0.00 C ATOM 531 CG1 ILE A 33 -0.099 3.107 -13.870 1.00 0.00 C ATOM 532 CG2 ILE A 33 -0.932 5.281 -12.935 1.00 0.00 C ATOM 533 CD1 ILE A 33 1.340 3.558 -13.993 1.00 0.00 C ATOM 0 H ILE A 33 -2.043 2.730 -15.810 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.712 3.165 -13.073 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.935 4.727 -14.994 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.243 2.640 -12.896 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.298 2.344 -14.622 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.088 5.665 -12.960 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.633 6.101 -13.091 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.123 4.821 -11.965 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.002 2.701 -13.867 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.500 3.999 -14.977 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.556 4.299 -13.224 1.00 0.00 H new ATOM 545 N ILE A 34 -4.164 5.191 -13.012 1.00 0.00 N ATOM 546 CA ILE A 34 -5.127 6.284 -12.986 1.00 0.00 C ATOM 547 C ILE A 34 -4.765 7.311 -11.918 1.00 0.00 C ATOM 548 O ILE A 34 -4.336 6.953 -10.820 1.00 0.00 O ATOM 549 CB ILE A 34 -6.555 5.771 -12.725 1.00 0.00 C ATOM 550 CG1 ILE A 34 -7.540 6.941 -12.671 1.00 0.00 C ATOM 551 CG2 ILE A 34 -6.603 4.972 -11.431 1.00 0.00 C ATOM 552 CD1 ILE A 34 -7.802 7.446 -11.269 1.00 0.00 C ATOM 0 H ILE A 34 -4.027 4.728 -12.113 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.093 6.757 -13.968 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.844 5.115 -13.546 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.152 7.760 -13.277 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.484 6.632 -13.119 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.619 4.616 -11.261 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.928 4.120 -11.504 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.297 5.607 -10.600 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.509 8.275 -11.307 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.219 6.641 -10.664 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.867 7.787 -10.824 1.00 0.00 H new ATOM 564 N ILE A 35 -4.941 8.586 -12.246 1.00 0.00 N ATOM 565 CA ILE A 35 -4.636 9.664 -11.314 1.00 0.00 C ATOM 566 C ILE A 35 -5.907 10.219 -10.679 1.00 0.00 C ATOM 567 O ILE A 35 -6.873 10.530 -11.374 1.00 0.00 O ATOM 568 CB ILE A 35 -3.879 10.811 -12.008 1.00 0.00 C ATOM 569 CG1 ILE A 35 -2.583 10.291 -12.633 1.00 0.00 C ATOM 570 CG2 ILE A 35 -3.585 11.928 -11.018 1.00 0.00 C ATOM 571 CD1 ILE A 35 -2.561 10.381 -14.143 1.00 0.00 C ATOM 0 H ILE A 35 -5.294 8.898 -13.151 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.001 9.238 -10.537 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.508 11.213 -12.802 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.743 10.857 -12.231 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.438 9.252 -12.337 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.049 12.731 -11.524 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.522 12.314 -10.616 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.973 11.541 -10.204 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.613 9.995 -14.517 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.380 9.791 -14.555 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.674 11.422 -14.447 1.00 0.00 H new ATOM 583 N GLN A 36 -5.896 10.341 -9.356 1.00 0.00 N ATOM 584 CA GLN A 36 -7.048 10.860 -8.628 1.00 0.00 C ATOM 585 C GLN A 36 -7.148 12.375 -8.776 1.00 0.00 C ATOM 586 O GLN A 36 -6.398 12.984 -9.539 1.00 0.00 O ATOM 587 CB GLN A 36 -6.953 10.486 -7.148 1.00 0.00 C ATOM 588 CG GLN A 36 -7.962 9.432 -6.721 1.00 0.00 C ATOM 589 CD GLN A 36 -9.394 9.859 -6.973 1.00 0.00 C ATOM 590 OE1 GLN A 36 -9.709 11.050 -6.970 1.00 0.00 O ATOM 591 NE2 GLN A 36 -10.272 8.888 -7.194 1.00 0.00 N ATOM 0 H GLN A 36 -5.103 10.088 -8.766 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.946 10.412 -9.052 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.948 10.121 -6.938 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.099 11.382 -6.545 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.763 8.505 -7.259 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.832 9.219 -5.660 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.968 7.914 -7.188 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.251 9.116 -7.370 1.00 0.00 H new ATOM 600 N GLU A 37 -8.079 12.976 -8.042 1.00 0.00 N ATOM 601 CA GLU A 37 -8.278 14.419 -8.094 1.00 0.00 C ATOM 602 C GLU A 37 -6.961 15.158 -7.871 1.00 0.00 C ATOM 603 O GLU A 37 -6.730 16.223 -8.442 1.00 0.00 O ATOM 604 CB GLU A 37 -9.303 14.854 -7.044 1.00 0.00 C ATOM 605 CG GLU A 37 -9.129 14.164 -5.702 1.00 0.00 C ATOM 606 CD GLU A 37 -9.483 15.063 -4.533 1.00 0.00 C ATOM 607 OE1 GLU A 37 -10.147 16.096 -4.761 1.00 0.00 O ATOM 608 OE2 GLU A 37 -9.096 14.735 -3.393 1.00 0.00 O ATOM 0 H GLU A 37 -8.707 12.486 -7.405 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.654 14.672 -9.085 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.229 15.932 -6.901 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.305 14.650 -7.421 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.755 13.272 -5.672 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.096 13.832 -5.600 1.00 0.00 H new ATOM 615 N ASN A 38 -6.102 14.584 -7.035 1.00 0.00 N ATOM 616 CA ASN A 38 -4.808 15.187 -6.735 1.00 0.00 C ATOM 617 C ASN A 38 -3.718 14.124 -6.653 1.00 0.00 C ATOM 618 O ASN A 38 -2.680 14.234 -7.305 1.00 0.00 O ATOM 619 CB ASN A 38 -4.878 15.964 -5.418 1.00 0.00 C ATOM 620 CG ASN A 38 -5.418 15.123 -4.278 1.00 0.00 C ATOM 621 OD1 ASN A 38 -6.627 14.916 -4.163 1.00 0.00 O ATOM 622 ND2 ASN A 38 -4.523 14.633 -3.429 1.00 0.00 N ATOM 0 H ASN A 38 -6.278 13.702 -6.553 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.559 15.875 -7.543 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.883 16.325 -5.159 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.511 16.841 -5.550 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.827 14.059 -2.642 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -3.531 14.830 -3.563 1.00 0.00 H new ATOM 629 N MET A 39 -3.961 13.094 -5.848 1.00 0.00 N ATOM 630 CA MET A 39 -3.000 12.010 -5.683 1.00 0.00 C ATOM 631 C MET A 39 -3.004 11.090 -6.900 1.00 0.00 C ATOM 632 O MET A 39 -3.870 11.198 -7.769 1.00 0.00 O ATOM 633 CB MET A 39 -3.319 11.206 -4.421 1.00 0.00 C ATOM 634 CG MET A 39 -4.000 9.876 -4.703 1.00 0.00 C ATOM 635 SD MET A 39 -4.783 9.173 -3.239 1.00 0.00 S ATOM 636 CE MET A 39 -3.386 9.078 -2.122 1.00 0.00 C ATOM 0 H MET A 39 -4.815 12.988 -5.300 1.00 0.00 H new ATOM 0 HA MET A 39 -2.007 12.449 -5.585 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.394 11.022 -3.874 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.960 11.803 -3.772 1.00 0.00 H new ATOM 0 HG2 MET A 39 -4.751 10.014 -5.481 1.00 0.00 H new ATOM 0 HG3 MET A 39 -3.265 9.171 -5.091 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.524 8.241 -1.437 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.471 8.930 -2.696 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.312 10.005 -1.553 1.00 0.00 H new ATOM 646 N ILE A 40 -2.031 10.188 -6.957 1.00 0.00 N ATOM 647 CA ILE A 40 -1.923 9.250 -8.068 1.00 0.00 C ATOM 648 C ILE A 40 -2.098 7.812 -7.592 1.00 0.00 C ATOM 649 O ILE A 40 -1.536 7.412 -6.572 1.00 0.00 O ATOM 650 CB ILE A 40 -0.566 9.379 -8.785 1.00 0.00 C ATOM 651 CG1 ILE A 40 -0.459 10.739 -9.479 1.00 0.00 C ATOM 652 CG2 ILE A 40 -0.387 8.250 -9.788 1.00 0.00 C ATOM 653 CD1 ILE A 40 0.844 10.938 -10.221 1.00 0.00 C ATOM 0 H ILE A 40 -1.306 10.086 -6.247 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.720 9.499 -8.769 1.00 0.00 H new ATOM 0 HB ILE A 40 0.229 9.307 -8.043 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.287 10.846 -10.180 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.568 11.527 -8.734 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.577 8.355 -10.286 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.424 7.292 -9.268 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.185 8.292 -10.529 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.850 11.923 -10.688 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.676 10.863 -9.521 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.946 10.172 -10.989 1.00 0.00 H new ATOM 665 N ILE A 41 -2.880 7.039 -8.338 1.00 0.00 N ATOM 666 CA ILE A 41 -3.127 5.644 -7.994 1.00 0.00 C ATOM 667 C ILE A 41 -2.404 4.705 -8.953 1.00 0.00 C ATOM 668 O ILE A 41 -2.641 4.732 -10.161 1.00 0.00 O ATOM 669 CB ILE A 41 -4.632 5.318 -8.011 1.00 0.00 C ATOM 670 CG1 ILE A 41 -5.384 6.226 -7.035 1.00 0.00 C ATOM 671 CG2 ILE A 41 -4.861 3.854 -7.664 1.00 0.00 C ATOM 672 CD1 ILE A 41 -4.852 6.164 -5.620 1.00 0.00 C ATOM 0 H ILE A 41 -3.353 7.355 -9.184 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.743 5.495 -6.985 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.016 5.498 -9.015 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.327 7.255 -7.391 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.438 5.948 -7.031 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.929 3.639 -7.680 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.353 3.223 -8.394 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.465 3.650 -6.669 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.432 6.832 -4.984 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.934 5.144 -5.245 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.806 6.471 -5.611 1.00 0.00 H new ATOM 684 N PHE A 42 -1.523 3.874 -8.407 1.00 0.00 N ATOM 685 CA PHE A 42 -0.765 2.924 -9.215 1.00 0.00 C ATOM 686 C PHE A 42 -1.428 1.550 -9.203 1.00 0.00 C ATOM 687 O PHE A 42 -1.385 0.836 -8.201 1.00 0.00 O ATOM 688 CB PHE A 42 0.671 2.815 -8.698 1.00 0.00 C ATOM 689 CG PHE A 42 1.512 1.837 -9.468 1.00 0.00 C ATOM 690 CD1 PHE A 42 2.039 2.179 -10.703 1.00 0.00 C ATOM 691 CD2 PHE A 42 1.776 0.577 -8.956 1.00 0.00 C ATOM 692 CE1 PHE A 42 2.812 1.280 -11.413 1.00 0.00 C ATOM 693 CE2 PHE A 42 2.550 -0.325 -9.662 1.00 0.00 C ATOM 694 CZ PHE A 42 3.069 0.028 -10.892 1.00 0.00 C ATOM 0 H PHE A 42 -1.316 3.838 -7.409 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.747 3.290 -10.241 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.140 3.798 -8.741 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.650 2.517 -7.650 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.844 3.158 -11.115 1.00 0.00 H new ATOM 0 HD2 PHE A 42 1.373 0.296 -7.994 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.215 1.557 -12.376 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.748 -1.304 -9.252 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.675 -0.674 -11.445 1.00 0.00 H new ATOM 704 N HIS A 43 -2.043 1.187 -10.325 1.00 0.00 N ATOM 705 CA HIS A 43 -2.715 -0.102 -10.445 1.00 0.00 C ATOM 706 C HIS A 43 -1.912 -1.054 -11.325 1.00 0.00 C ATOM 707 O HIS A 43 -2.114 -2.269 -11.290 1.00 0.00 O ATOM 708 CB HIS A 43 -4.119 0.083 -11.022 1.00 0.00 C ATOM 709 CG HIS A 43 -5.156 -0.773 -10.363 1.00 0.00 C ATOM 710 ND1 HIS A 43 -6.509 -0.605 -10.564 1.00 0.00 N ATOM 711 CD2 HIS A 43 -5.031 -1.811 -9.504 1.00 0.00 C ATOM 712 CE1 HIS A 43 -7.172 -1.501 -9.856 1.00 0.00 C ATOM 713 NE2 HIS A 43 -6.298 -2.246 -9.203 1.00 0.00 N ATOM 0 H HIS A 43 -2.090 1.767 -11.163 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.794 -0.537 -9.449 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.408 1.129 -10.924 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.097 -0.143 -12.088 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.106 -2.221 -9.125 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.246 -1.607 -9.817 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.527 -3.018 -8.577 1.00 0.00 H new ATOM 721 N LEU A 44 -1.001 -0.496 -12.114 1.00 0.00 N ATOM 722 CA LEU A 44 -0.167 -1.296 -13.005 1.00 0.00 C ATOM 723 C LEU A 44 0.587 -2.370 -12.227 1.00 0.00 C ATOM 724 O LEU A 44 0.841 -2.222 -11.031 1.00 0.00 O ATOM 725 CB LEU A 44 0.825 -0.399 -13.749 1.00 0.00 C ATOM 726 CG LEU A 44 1.266 -0.887 -15.129 1.00 0.00 C ATOM 727 CD1 LEU A 44 1.512 0.292 -16.058 1.00 0.00 C ATOM 728 CD2 LEU A 44 2.514 -1.750 -15.016 1.00 0.00 C ATOM 0 H LEU A 44 -0.821 0.507 -12.155 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.818 -1.787 -13.728 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.378 0.589 -13.861 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.712 -0.279 -13.127 1.00 0.00 H new ATOM 0 HG LEU A 44 0.466 -1.495 -15.551 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.825 -0.074 -17.036 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.594 0.870 -16.164 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.294 0.927 -15.641 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.813 -2.088 -16.008 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.321 -1.166 -14.573 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.303 -2.614 -14.386 1.00 0.00 H new ATOM 740 N SER A 45 0.943 -3.451 -12.914 1.00 0.00 N ATOM 741 CA SER A 45 1.666 -4.551 -12.287 1.00 0.00 C ATOM 742 C SER A 45 0.820 -5.208 -11.201 1.00 0.00 C ATOM 743 O SER A 45 -0.206 -4.679 -10.772 1.00 0.00 O ATOM 744 CB SER A 45 2.983 -4.050 -11.690 1.00 0.00 C ATOM 745 OG SER A 45 4.094 -4.564 -12.403 1.00 0.00 O ATOM 0 H SER A 45 0.742 -3.588 -13.905 1.00 0.00 H new ATOM 0 HA SER A 45 1.883 -5.294 -13.054 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.005 -2.960 -11.713 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.049 -4.349 -10.644 1.00 0.00 H new ATOM 0 HG SER A 45 4.737 -4.950 -11.772 1.00 0.00 H new ATOM 751 N PRO A 46 1.259 -6.390 -10.744 1.00 0.00 N ATOM 752 CA PRO A 46 0.558 -7.146 -9.702 1.00 0.00 C ATOM 753 C PRO A 46 0.651 -6.474 -8.337 1.00 0.00 C ATOM 754 O PRO A 46 0.042 -6.929 -7.368 1.00 0.00 O ATOM 755 CB PRO A 46 1.289 -8.491 -9.687 1.00 0.00 C ATOM 756 CG PRO A 46 2.651 -8.188 -10.209 1.00 0.00 C ATOM 757 CD PRO A 46 2.474 -7.080 -11.210 1.00 0.00 C ATOM 0 HA PRO A 46 -0.510 -7.228 -9.906 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.334 -8.906 -8.680 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.780 -9.225 -10.312 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.319 -7.883 -9.403 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.095 -9.068 -10.675 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.335 -6.411 -11.226 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.353 -7.468 -12.221 1.00 0.00 H new ATOM 765 N TYR A 47 1.415 -5.390 -8.267 1.00 0.00 N ATOM 766 CA TYR A 47 1.589 -4.656 -7.019 1.00 0.00 C ATOM 767 C TYR A 47 0.900 -3.297 -7.086 1.00 0.00 C ATOM 768 O TYR A 47 1.104 -2.530 -8.028 1.00 0.00 O ATOM 769 CB TYR A 47 3.077 -4.472 -6.714 1.00 0.00 C ATOM 770 CG TYR A 47 3.910 -5.701 -7.002 1.00 0.00 C ATOM 771 CD1 TYR A 47 3.539 -6.947 -6.513 1.00 0.00 C ATOM 772 CD2 TYR A 47 5.069 -5.614 -7.764 1.00 0.00 C ATOM 773 CE1 TYR A 47 4.298 -8.071 -6.773 1.00 0.00 C ATOM 774 CE2 TYR A 47 5.833 -6.734 -8.030 1.00 0.00 C ATOM 775 CZ TYR A 47 5.444 -7.960 -7.532 1.00 0.00 C ATOM 776 OH TYR A 47 6.202 -9.078 -7.795 1.00 0.00 O ATOM 0 H TYR A 47 1.924 -5.000 -9.060 1.00 0.00 H new ATOM 0 HA TYR A 47 1.130 -5.237 -6.219 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.460 -3.638 -7.302 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.194 -4.202 -5.664 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.642 -7.038 -5.919 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.377 -4.655 -8.155 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.996 -9.032 -6.384 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.730 -6.650 -8.625 1.00 0.00 H new ATOM 0 HH TYR A 47 6.975 -8.828 -8.343 1.00 0.00 H new ATOM 786 N TYR A 48 0.084 -3.005 -6.080 1.00 0.00 N ATOM 787 CA TYR A 48 -0.638 -1.739 -6.024 1.00 0.00 C ATOM 788 C TYR A 48 0.129 -0.711 -5.196 1.00 0.00 C ATOM 789 O TYR A 48 0.612 -1.011 -4.104 1.00 0.00 O ATOM 790 CB TYR A 48 -2.032 -1.948 -5.432 1.00 0.00 C ATOM 791 CG TYR A 48 -2.821 -0.668 -5.272 1.00 0.00 C ATOM 792 CD1 TYR A 48 -2.745 0.076 -4.101 1.00 0.00 C ATOM 793 CD2 TYR A 48 -3.640 -0.202 -6.292 1.00 0.00 C ATOM 794 CE1 TYR A 48 -3.465 1.246 -3.950 1.00 0.00 C ATOM 795 CE2 TYR A 48 -4.362 0.968 -6.151 1.00 0.00 C ATOM 796 CZ TYR A 48 -4.271 1.688 -4.978 1.00 0.00 C ATOM 797 OH TYR A 48 -4.988 2.853 -4.832 1.00 0.00 O ATOM 0 H TYR A 48 -0.094 -3.627 -5.292 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.736 -1.361 -7.042 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.590 -2.631 -6.072 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.936 -2.429 -4.459 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.113 -0.266 -3.295 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.714 -0.764 -7.211 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.397 1.811 -3.032 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.994 1.317 -6.955 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.213 2.982 -3.887 1.00 0.00 H new ATOM 807 N LEU A 49 0.237 0.503 -5.725 1.00 0.00 N ATOM 808 CA LEU A 49 0.944 1.577 -5.037 1.00 0.00 C ATOM 809 C LEU A 49 0.085 2.836 -4.966 1.00 0.00 C ATOM 810 O LEU A 49 -0.649 3.152 -5.902 1.00 0.00 O ATOM 811 CB LEU A 49 2.262 1.885 -5.749 1.00 0.00 C ATOM 812 CG LEU A 49 3.473 2.123 -4.847 1.00 0.00 C ATOM 813 CD1 LEU A 49 4.708 2.428 -5.680 1.00 0.00 C ATOM 814 CD2 LEU A 49 3.195 3.254 -3.868 1.00 0.00 C ATOM 0 H LEU A 49 -0.156 0.768 -6.628 1.00 0.00 H new ATOM 0 HA LEU A 49 1.156 1.246 -4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.491 1.057 -6.420 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.118 2.769 -6.371 1.00 0.00 H new ATOM 0 HG LEU A 49 3.661 1.213 -4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.560 2.595 -5.020 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.919 1.586 -6.340 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.532 3.322 -6.278 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.068 3.409 -3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.980 4.169 -4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.337 2.995 -3.247 1.00 0.00 H new ATOM 826 N ARG A 50 0.184 3.551 -3.850 1.00 0.00 N ATOM 827 CA ARG A 50 -0.583 4.776 -3.657 1.00 0.00 C ATOM 828 C ARG A 50 0.341 5.957 -3.375 1.00 0.00 C ATOM 829 O ARG A 50 1.034 5.988 -2.358 1.00 0.00 O ATOM 830 CB ARG A 50 -1.576 4.605 -2.505 1.00 0.00 C ATOM 831 CG ARG A 50 -2.461 5.819 -2.280 1.00 0.00 C ATOM 832 CD ARG A 50 -3.921 5.505 -2.569 1.00 0.00 C ATOM 833 NE ARG A 50 -4.530 4.707 -1.508 1.00 0.00 N ATOM 834 CZ ARG A 50 -5.837 4.497 -1.405 1.00 0.00 C ATOM 835 NH1 ARG A 50 -6.669 5.023 -2.293 1.00 0.00 N ATOM 836 NH2 ARG A 50 -6.315 3.758 -0.411 1.00 0.00 N ATOM 0 H ARG A 50 0.788 3.303 -3.066 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.134 4.979 -4.575 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.206 3.738 -2.705 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.024 4.393 -1.589 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.358 6.160 -1.250 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.130 6.636 -2.921 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.476 6.436 -2.686 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.996 4.968 -3.515 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.918 4.288 -0.808 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.306 5.591 -3.058 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.672 4.860 -2.211 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.678 3.351 0.274 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -7.319 3.597 -0.332 1.00 0.00 H new ATOM 850 N LEU A 51 0.346 6.927 -4.283 1.00 0.00 N ATOM 851 CA LEU A 51 1.185 8.111 -4.134 1.00 0.00 C ATOM 852 C LEU A 51 0.350 9.322 -3.731 1.00 0.00 C ATOM 853 O LEU A 51 -0.644 9.647 -4.380 1.00 0.00 O ATOM 854 CB LEU A 51 1.929 8.401 -5.438 1.00 0.00 C ATOM 855 CG LEU A 51 3.050 7.427 -5.802 1.00 0.00 C ATOM 856 CD1 LEU A 51 3.722 7.846 -7.100 1.00 0.00 C ATOM 857 CD2 LEU A 51 4.070 7.342 -4.675 1.00 0.00 C ATOM 0 H LEU A 51 -0.222 6.917 -5.130 1.00 0.00 H new ATOM 0 HA LEU A 51 1.911 7.915 -3.345 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.204 8.410 -6.252 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.352 9.404 -5.376 1.00 0.00 H new ATOM 0 HG LEU A 51 2.613 6.439 -5.946 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.517 7.141 -7.342 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.986 7.854 -7.904 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.145 8.844 -6.985 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.860 6.644 -4.952 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.501 8.328 -4.499 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.580 6.993 -3.766 1.00 0.00 H new ATOM 869 N ARG A 52 0.763 9.988 -2.657 1.00 0.00 N ATOM 870 CA ARG A 52 0.054 11.165 -2.169 1.00 0.00 C ATOM 871 C ARG A 52 0.970 12.385 -2.156 1.00 0.00 C ATOM 872 O ARG A 52 1.820 12.527 -1.277 1.00 0.00 O ATOM 873 CB ARG A 52 -0.493 10.909 -0.763 1.00 0.00 C ATOM 874 CG ARG A 52 -1.702 11.763 -0.416 1.00 0.00 C ATOM 875 CD ARG A 52 -1.290 13.070 0.243 1.00 0.00 C ATOM 876 NE ARG A 52 -0.620 12.851 1.522 1.00 0.00 N ATOM 877 CZ ARG A 52 -0.232 13.834 2.326 1.00 0.00 C ATOM 878 NH1 ARG A 52 -0.448 15.097 1.986 1.00 0.00 N ATOM 879 NH2 ARG A 52 0.372 13.555 3.474 1.00 0.00 N ATOM 0 H ARG A 52 1.584 9.733 -2.109 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.778 11.364 -2.845 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.764 9.857 -0.673 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.296 11.098 -0.035 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.271 11.974 -1.321 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.360 11.209 0.253 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.626 13.619 -0.425 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.172 13.692 0.398 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.440 11.890 1.814 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.913 15.316 1.105 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.149 15.850 2.605 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.539 12.584 3.740 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.670 14.311 4.091 1.00 0.00 H new ATOM 893 N PHE A 53 0.791 13.263 -3.137 1.00 0.00 N ATOM 894 CA PHE A 53 1.602 14.471 -3.239 1.00 0.00 C ATOM 895 C PHE A 53 0.907 15.651 -2.567 1.00 0.00 C ATOM 896 O PHE A 53 -0.315 15.684 -2.422 1.00 0.00 O ATOM 897 CB PHE A 53 1.884 14.798 -4.707 1.00 0.00 C ATOM 898 CG PHE A 53 2.467 13.648 -5.477 1.00 0.00 C ATOM 899 CD1 PHE A 53 3.270 12.711 -4.846 1.00 0.00 C ATOM 900 CD2 PHE A 53 2.211 13.502 -6.831 1.00 0.00 C ATOM 901 CE1 PHE A 53 3.809 11.652 -5.553 1.00 0.00 C ATOM 902 CE2 PHE A 53 2.746 12.445 -7.542 1.00 0.00 C ATOM 903 CZ PHE A 53 3.545 11.518 -6.902 1.00 0.00 C ATOM 0 H PHE A 53 0.092 13.161 -3.873 1.00 0.00 H new ATOM 0 HA PHE A 53 2.547 14.289 -2.726 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.956 15.112 -5.185 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.570 15.643 -4.757 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.477 12.809 -3.791 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.586 14.223 -7.337 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.436 10.930 -5.051 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.540 12.344 -8.597 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.963 10.690 -7.455 1.00 0.00 H new ATOM 913 N PRO A 54 1.704 16.645 -2.146 1.00 0.00 N ATOM 914 CA PRO A 54 1.189 17.846 -1.483 1.00 0.00 C ATOM 915 C PRO A 54 0.407 18.744 -2.435 1.00 0.00 C ATOM 916 O PRO A 54 -0.205 19.727 -2.016 1.00 0.00 O ATOM 917 CB PRO A 54 2.456 18.555 -0.998 1.00 0.00 C ATOM 918 CG PRO A 54 3.528 18.086 -1.919 1.00 0.00 C ATOM 919 CD PRO A 54 3.170 16.672 -2.287 1.00 0.00 C ATOM 0 HA PRO A 54 0.489 17.602 -0.684 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.344 19.638 -1.040 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.682 18.298 0.037 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.584 18.717 -2.806 1.00 0.00 H new ATOM 0 HG3 PRO A 54 4.504 18.128 -1.435 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.481 16.430 -3.303 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.651 15.951 -1.626 1.00 0.00 H new ATOM 927 N HIS A 55 0.432 18.401 -3.719 1.00 0.00 N ATOM 928 CA HIS A 55 -0.276 19.177 -4.732 1.00 0.00 C ATOM 929 C HIS A 55 -1.359 18.337 -5.401 1.00 0.00 C ATOM 930 O HIS A 55 -1.644 17.219 -4.971 1.00 0.00 O ATOM 931 CB HIS A 55 0.705 19.697 -5.784 1.00 0.00 C ATOM 932 CG HIS A 55 1.792 20.557 -5.216 1.00 0.00 C ATOM 933 ND1 HIS A 55 3.050 20.249 -4.824 1.00 0.00 N flip ATOM 934 CD2 HIS A 55 1.642 21.909 -4.992 1.00 0.00 C flip ATOM 935 CE1 HIS A 55 3.633 21.409 -4.376 1.00 0.00 C flip ATOM 936 NE2 HIS A 55 2.763 22.396 -4.489 1.00 0.00 N flip ATOM 0 H HIS A 55 0.934 17.591 -4.083 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.751 20.025 -4.239 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.156 18.849 -6.299 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.154 20.268 -6.532 1.00 0.00 H new ATOM 0 HD1 HIS A 55 3.485 19.327 -4.855 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.749 22.481 -5.196 1.00 0.00 H new ATOM 0 HE1 HIS A 55 4.639 21.499 -3.994 1.00 0.00 H new ATOM 944 N GLU A 56 -1.960 18.883 -6.454 1.00 0.00 N ATOM 945 CA GLU A 56 -3.013 18.183 -7.180 1.00 0.00 C ATOM 946 C GLU A 56 -2.680 18.092 -8.667 1.00 0.00 C ATOM 947 O GLU A 56 -2.422 19.104 -9.320 1.00 0.00 O ATOM 948 CB GLU A 56 -4.354 18.894 -6.989 1.00 0.00 C ATOM 949 CG GLU A 56 -4.254 20.409 -7.052 1.00 0.00 C ATOM 950 CD GLU A 56 -5.612 21.084 -7.057 1.00 0.00 C ATOM 951 OE1 GLU A 56 -6.630 20.371 -6.936 1.00 0.00 O ATOM 952 OE2 GLU A 56 -5.656 22.326 -7.181 1.00 0.00 O ATOM 0 H GLU A 56 -1.736 19.807 -6.823 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.086 17.172 -6.779 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.049 18.552 -7.756 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.775 18.606 -6.026 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.678 20.767 -6.199 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.706 20.696 -7.950 1.00 0.00 H new ATOM 959 N LEU A 57 -2.687 16.873 -9.195 1.00 0.00 N ATOM 960 CA LEU A 57 -2.386 16.648 -10.604 1.00 0.00 C ATOM 961 C LEU A 57 -3.665 16.434 -11.407 1.00 0.00 C ATOM 962 O LEU A 57 -4.766 16.455 -10.856 1.00 0.00 O ATOM 963 CB LEU A 57 -1.462 15.439 -10.762 1.00 0.00 C ATOM 964 CG LEU A 57 -0.254 15.390 -9.826 1.00 0.00 C ATOM 965 CD1 LEU A 57 -0.008 13.969 -9.345 1.00 0.00 C ATOM 966 CD2 LEU A 57 0.982 15.942 -10.521 1.00 0.00 C ATOM 0 H LEU A 57 -2.898 16.025 -8.668 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.882 17.535 -10.988 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.051 14.535 -10.610 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.101 15.415 -11.790 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.466 16.013 -8.957 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.856 13.954 -8.680 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.886 13.610 -8.808 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.183 13.323 -10.202 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.832 15.899 -9.840 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.197 15.346 -11.408 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.803 16.977 -10.814 1.00 0.00 H new ATOM 978 N ILE A 58 -3.511 16.225 -12.710 1.00 0.00 N ATOM 979 CA ILE A 58 -4.654 16.003 -13.588 1.00 0.00 C ATOM 980 C ILE A 58 -4.370 14.889 -14.589 1.00 0.00 C ATOM 981 O ILE A 58 -3.252 14.760 -15.089 1.00 0.00 O ATOM 982 CB ILE A 58 -5.031 17.284 -14.355 1.00 0.00 C ATOM 983 CG1 ILE A 58 -6.201 17.010 -15.303 1.00 0.00 C ATOM 984 CG2 ILE A 58 -3.830 17.812 -15.126 1.00 0.00 C ATOM 985 CD1 ILE A 58 -6.763 18.259 -15.945 1.00 0.00 C ATOM 0 H ILE A 58 -2.607 16.205 -13.181 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.489 15.711 -12.951 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.339 18.044 -13.637 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.872 16.326 -16.085 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.995 16.506 -14.752 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.112 18.718 -15.663 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.022 18.039 -14.430 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.494 17.058 -15.838 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.589 17.990 -16.604 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.123 18.936 -15.170 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.983 18.753 -16.524 1.00 0.00 H new ATOM 997 N ASP A 59 -5.389 14.087 -14.877 1.00 0.00 N ATOM 998 CA ASP A 59 -5.250 12.984 -15.822 1.00 0.00 C ATOM 999 C ASP A 59 -5.835 13.355 -17.181 1.00 0.00 C ATOM 1000 O ASP A 59 -7.050 13.322 -17.375 1.00 0.00 O ATOM 1001 CB ASP A 59 -5.941 11.731 -15.281 1.00 0.00 C ATOM 1002 CG ASP A 59 -6.343 10.770 -16.382 1.00 0.00 C ATOM 1003 OD1 ASP A 59 -5.454 10.079 -16.921 1.00 0.00 O ATOM 1004 OD2 ASP A 59 -7.548 10.709 -16.705 1.00 0.00 O ATOM 0 H ASP A 59 -6.320 14.179 -14.470 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.187 12.778 -15.948 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.273 11.223 -14.585 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.827 12.023 -14.717 1.00 0.00 H new ATOM 1009 N ASP A 60 -4.962 13.710 -18.117 1.00 0.00 N ATOM 1010 CA ASP A 60 -5.392 14.088 -19.459 1.00 0.00 C ATOM 1011 C ASP A 60 -4.975 13.035 -20.480 1.00 0.00 C ATOM 1012 O ASP A 60 -4.560 11.935 -20.116 1.00 0.00 O ATOM 1013 CB ASP A 60 -4.804 15.448 -19.841 1.00 0.00 C ATOM 1014 CG ASP A 60 -5.809 16.333 -20.553 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -6.804 15.795 -21.081 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -5.599 17.564 -20.582 1.00 0.00 O ATOM 0 H ASP A 60 -3.953 13.744 -17.972 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.480 14.157 -19.460 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.451 15.954 -18.942 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.936 15.298 -20.484 1.00 0.00 H new ATOM 1021 N GLU A 61 -5.088 13.380 -21.759 1.00 0.00 N ATOM 1022 CA GLU A 61 -4.725 12.462 -22.832 1.00 0.00 C ATOM 1023 C GLU A 61 -3.212 12.277 -22.900 1.00 0.00 C ATOM 1024 O GLU A 61 -2.722 11.257 -23.385 1.00 0.00 O ATOM 1025 CB GLU A 61 -5.247 12.979 -24.174 1.00 0.00 C ATOM 1026 CG GLU A 61 -4.710 14.351 -24.549 1.00 0.00 C ATOM 1027 CD GLU A 61 -5.634 15.103 -25.486 1.00 0.00 C ATOM 1028 OE1 GLU A 61 -5.686 14.747 -26.682 1.00 0.00 O ATOM 1029 OE2 GLU A 61 -6.307 16.048 -25.023 1.00 0.00 O ATOM 0 H GLU A 61 -5.428 14.288 -22.077 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.183 11.496 -22.620 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.981 12.268 -24.956 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.336 13.021 -24.139 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.561 14.939 -23.643 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.734 14.238 -25.020 1.00 0.00 H new ATOM 1036 N ARG A 62 -2.477 13.270 -22.411 1.00 0.00 N ATOM 1037 CA ARG A 62 -1.020 13.218 -22.418 1.00 0.00 C ATOM 1038 C ARG A 62 -0.506 12.247 -21.359 1.00 0.00 C ATOM 1039 O ARG A 62 0.531 11.609 -21.539 1.00 0.00 O ATOM 1040 CB ARG A 62 -0.438 14.612 -22.172 1.00 0.00 C ATOM 1041 CG ARG A 62 -1.086 15.347 -21.010 1.00 0.00 C ATOM 1042 CD ARG A 62 -1.907 16.533 -21.490 1.00 0.00 C ATOM 1043 NE ARG A 62 -1.064 17.631 -21.954 1.00 0.00 N ATOM 1044 CZ ARG A 62 -0.862 17.911 -23.236 1.00 0.00 C ATOM 1045 NH1 ARG A 62 -1.439 17.178 -24.178 1.00 0.00 N ATOM 1046 NH2 ARG A 62 -0.081 18.928 -23.579 1.00 0.00 N ATOM 0 H ARG A 62 -2.867 14.121 -22.005 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.698 12.865 -23.398 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.632 14.521 -21.982 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.552 15.209 -23.077 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.726 14.661 -20.455 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.315 15.692 -20.321 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.565 16.215 -22.299 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.545 16.884 -20.679 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.605 18.215 -21.255 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.040 16.396 -23.919 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.282 17.396 -25.162 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.364 19.495 -22.857 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.074 19.143 -24.564 1.00 0.00 H new ATOM 1060 N SER A 63 -1.239 12.140 -20.255 1.00 0.00 N ATOM 1061 CA SER A 63 -0.855 11.250 -19.166 1.00 0.00 C ATOM 1062 C SER A 63 -0.876 9.794 -19.621 1.00 0.00 C ATOM 1063 O SER A 63 -1.840 9.337 -20.237 1.00 0.00 O ATOM 1064 CB SER A 63 -1.792 11.437 -17.972 1.00 0.00 C ATOM 1065 OG SER A 63 -2.977 10.676 -18.130 1.00 0.00 O ATOM 0 H SER A 63 -2.102 12.659 -20.091 1.00 0.00 H new ATOM 0 HA SER A 63 0.161 11.503 -18.864 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.283 11.137 -17.056 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.045 12.492 -17.866 1.00 0.00 H new ATOM 0 HG SER A 63 -3.544 11.092 -18.812 1.00 0.00 H new ATOM 1071 N THR A 64 0.195 9.069 -19.314 1.00 0.00 N ATOM 1072 CA THR A 64 0.301 7.665 -19.692 1.00 0.00 C ATOM 1073 C THR A 64 1.603 7.056 -19.185 1.00 0.00 C ATOM 1074 O THR A 64 2.536 7.774 -18.823 1.00 0.00 O ATOM 1075 CB THR A 64 0.226 7.487 -21.220 1.00 0.00 C ATOM 1076 OG1 THR A 64 0.329 6.099 -21.557 1.00 0.00 O ATOM 1077 CG2 THR A 64 1.334 8.266 -21.911 1.00 0.00 C ATOM 0 H THR A 64 1.001 9.431 -18.805 1.00 0.00 H new ATOM 0 HA THR A 64 -0.542 7.150 -19.232 1.00 0.00 H new ATOM 0 HB THR A 64 -0.734 7.873 -21.562 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.279 5.994 -22.530 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.260 8.125 -22.989 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.235 9.326 -21.676 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.303 7.907 -21.563 1.00 0.00 H new ATOM 1085 N ALA A 65 1.661 5.729 -19.161 1.00 0.00 N ATOM 1086 CA ALA A 65 2.850 5.024 -18.700 1.00 0.00 C ATOM 1087 C ALA A 65 3.383 4.084 -19.776 1.00 0.00 C ATOM 1088 O ALA A 65 2.611 3.462 -20.506 1.00 0.00 O ATOM 1089 CB ALA A 65 2.545 4.251 -17.425 1.00 0.00 C ATOM 0 H ALA A 65 0.898 5.120 -19.456 1.00 0.00 H new ATOM 0 HA ALA A 65 3.621 5.765 -18.487 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.442 3.729 -17.092 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.219 4.943 -16.649 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.755 3.526 -17.619 1.00 0.00 H new ATOM 1095 N GLN A 66 4.705 3.986 -19.869 1.00 0.00 N ATOM 1096 CA GLN A 66 5.339 3.122 -20.858 1.00 0.00 C ATOM 1097 C GLN A 66 6.264 2.112 -20.185 1.00 0.00 C ATOM 1098 O GLN A 66 7.088 2.474 -19.346 1.00 0.00 O ATOM 1099 CB GLN A 66 6.127 3.959 -21.867 1.00 0.00 C ATOM 1100 CG GLN A 66 5.280 4.994 -22.591 1.00 0.00 C ATOM 1101 CD GLN A 66 4.824 4.522 -23.957 1.00 0.00 C ATOM 1102 OE1 GLN A 66 5.378 4.921 -24.982 1.00 0.00 O ATOM 1103 NE2 GLN A 66 3.807 3.668 -23.980 1.00 0.00 N ATOM 0 H GLN A 66 5.358 4.494 -19.272 1.00 0.00 H new ATOM 0 HA GLN A 66 4.555 2.576 -21.383 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.941 4.466 -21.349 1.00 0.00 H new ATOM 0 HB3 GLN A 66 6.581 3.295 -22.602 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.407 5.233 -21.983 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.853 5.914 -22.701 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.377 3.363 -23.107 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.456 3.317 -24.871 1.00 0.00 H new ATOM 1112 N TYR A 67 6.121 0.846 -20.560 1.00 0.00 N ATOM 1113 CA TYR A 67 6.941 -0.217 -19.991 1.00 0.00 C ATOM 1114 C TYR A 67 8.224 -0.404 -20.795 1.00 0.00 C ATOM 1115 O TYR A 67 8.189 -0.538 -22.019 1.00 0.00 O ATOM 1116 CB TYR A 67 6.156 -1.529 -19.948 1.00 0.00 C ATOM 1117 CG TYR A 67 7.016 -2.741 -19.671 1.00 0.00 C ATOM 1118 CD1 TYR A 67 7.997 -2.710 -18.687 1.00 0.00 C ATOM 1119 CD2 TYR A 67 6.849 -3.916 -20.394 1.00 0.00 C ATOM 1120 CE1 TYR A 67 8.786 -3.815 -18.431 1.00 0.00 C ATOM 1121 CE2 TYR A 67 7.633 -5.025 -20.143 1.00 0.00 C ATOM 1122 CZ TYR A 67 8.600 -4.970 -19.161 1.00 0.00 C ATOM 1123 OH TYR A 67 9.383 -6.073 -18.910 1.00 0.00 O ATOM 0 H TYR A 67 5.445 0.531 -21.256 1.00 0.00 H new ATOM 0 HA TYR A 67 7.209 0.070 -18.974 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.386 -1.457 -19.180 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.644 -1.667 -20.900 1.00 0.00 H new ATOM 0 HD1 TYR A 67 8.145 -1.807 -18.113 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.094 -3.963 -21.165 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.544 -3.774 -17.663 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.490 -5.931 -20.713 1.00 0.00 H new ATOM 0 HH TYR A 67 9.123 -6.802 -19.510 1.00 0.00 H new ATOM 1133 N ASP A 68 9.355 -0.415 -20.099 1.00 0.00 N ATOM 1134 CA ASP A 68 10.650 -0.588 -20.746 1.00 0.00 C ATOM 1135 C ASP A 68 11.239 -1.958 -20.425 1.00 0.00 C ATOM 1136 O ASP A 68 11.422 -2.308 -19.259 1.00 0.00 O ATOM 1137 CB ASP A 68 11.616 0.513 -20.305 1.00 0.00 C ATOM 1138 CG ASP A 68 11.345 0.988 -18.890 1.00 0.00 C ATOM 1139 OD1 ASP A 68 10.321 1.670 -18.680 1.00 0.00 O ATOM 1140 OD2 ASP A 68 12.159 0.678 -17.994 1.00 0.00 O ATOM 0 H ASP A 68 9.401 -0.306 -19.086 1.00 0.00 H new ATOM 0 HA ASP A 68 10.502 -0.520 -21.824 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.639 0.143 -20.371 1.00 0.00 H new ATOM 0 HB3 ASP A 68 11.537 1.357 -20.990 1.00 0.00 H new ATOM 1145 N SER A 69 11.534 -2.729 -21.466 1.00 0.00 N ATOM 1146 CA SER A 69 12.098 -4.062 -21.295 1.00 0.00 C ATOM 1147 C SER A 69 13.619 -3.999 -21.189 1.00 0.00 C ATOM 1148 O SER A 69 14.227 -4.702 -20.381 1.00 0.00 O ATOM 1149 CB SER A 69 11.694 -4.964 -22.463 1.00 0.00 C ATOM 1150 OG SER A 69 12.328 -4.559 -23.663 1.00 0.00 O ATOM 0 H SER A 69 11.392 -2.453 -22.438 1.00 0.00 H new ATOM 0 HA SER A 69 11.703 -4.480 -20.369 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.960 -5.997 -22.238 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.612 -4.935 -22.592 1.00 0.00 H new ATOM 0 HG SER A 69 12.055 -5.152 -24.394 1.00 0.00 H new ATOM 1156 N LYS A 70 14.228 -3.152 -22.012 1.00 0.00 N ATOM 1157 CA LYS A 70 15.678 -2.995 -22.012 1.00 0.00 C ATOM 1158 C LYS A 70 16.189 -2.662 -20.614 1.00 0.00 C ATOM 1159 O LYS A 70 17.334 -2.959 -20.275 1.00 0.00 O ATOM 1160 CB LYS A 70 16.091 -1.895 -22.993 1.00 0.00 C ATOM 1161 CG LYS A 70 15.872 -0.490 -22.460 1.00 0.00 C ATOM 1162 CD LYS A 70 14.395 -0.136 -22.413 1.00 0.00 C ATOM 1163 CE LYS A 70 14.183 1.326 -22.050 1.00 0.00 C ATOM 1164 NZ LYS A 70 13.067 1.934 -22.825 1.00 0.00 N ATOM 0 H LYS A 70 13.740 -2.564 -22.688 1.00 0.00 H new ATOM 0 HA LYS A 70 16.122 -3.940 -22.326 1.00 0.00 H new ATOM 0 HB2 LYS A 70 17.145 -2.020 -23.243 1.00 0.00 H new ATOM 0 HB3 LYS A 70 15.528 -2.015 -23.918 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.299 -0.408 -21.460 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.399 0.226 -23.091 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.940 -0.341 -23.382 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.891 -0.770 -21.683 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.972 1.408 -20.984 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.101 1.883 -22.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.707 2.769 -22.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.412 2.220 -23.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.301 1.239 -22.934 1.00 0.00 H new ATOM 1178 N ASP A 71 15.333 -2.045 -19.807 1.00 0.00 N ATOM 1179 CA ASP A 71 15.697 -1.674 -18.445 1.00 0.00 C ATOM 1180 C ASP A 71 14.847 -2.432 -17.430 1.00 0.00 C ATOM 1181 O ASP A 71 15.169 -2.470 -16.243 1.00 0.00 O ATOM 1182 CB ASP A 71 15.533 -0.167 -18.242 1.00 0.00 C ATOM 1183 CG ASP A 71 16.031 0.293 -16.886 1.00 0.00 C ATOM 1184 OD1 ASP A 71 17.020 -0.287 -16.390 1.00 0.00 O ATOM 1185 OD2 ASP A 71 15.433 1.232 -16.322 1.00 0.00 O ATOM 0 H ASP A 71 14.382 -1.791 -20.073 1.00 0.00 H new ATOM 0 HA ASP A 71 16.742 -1.942 -18.289 1.00 0.00 H new ATOM 0 HB2 ASP A 71 16.076 0.363 -19.024 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.481 0.099 -18.349 1.00 0.00 H new ATOM 1190 N GLU A 72 13.761 -3.033 -17.906 1.00 0.00 N ATOM 1191 CA GLU A 72 12.865 -3.788 -17.038 1.00 0.00 C ATOM 1192 C GLU A 72 12.215 -2.876 -16.001 1.00 0.00 C ATOM 1193 O GLU A 72 11.825 -3.325 -14.922 1.00 0.00 O ATOM 1194 CB GLU A 72 13.626 -4.915 -16.337 1.00 0.00 C ATOM 1195 CG GLU A 72 14.446 -5.776 -17.283 1.00 0.00 C ATOM 1196 CD GLU A 72 15.391 -6.710 -16.552 1.00 0.00 C ATOM 1197 OE1 GLU A 72 15.103 -7.052 -15.386 1.00 0.00 O ATOM 1198 OE2 GLU A 72 16.418 -7.099 -17.147 1.00 0.00 O ATOM 0 H GLU A 72 13.481 -3.012 -18.887 1.00 0.00 H new ATOM 0 HA GLU A 72 12.080 -4.221 -17.658 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.288 -4.483 -15.586 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.914 -5.548 -15.808 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.774 -6.363 -17.909 1.00 0.00 H new ATOM 0 HG3 GLU A 72 15.021 -5.132 -17.949 1.00 0.00 H new ATOM 1205 N CYS A 73 12.104 -1.595 -16.335 1.00 0.00 N ATOM 1206 CA CYS A 73 11.503 -0.619 -15.433 1.00 0.00 C ATOM 1207 C CYS A 73 10.180 -0.106 -15.990 1.00 0.00 C ATOM 1208 O CYS A 73 9.807 -0.421 -17.121 1.00 0.00 O ATOM 1209 CB CYS A 73 12.462 0.550 -15.203 1.00 0.00 C ATOM 1210 SG CYS A 73 12.921 0.799 -13.472 1.00 0.00 S ATOM 0 H CYS A 73 12.422 -1.208 -17.224 1.00 0.00 H new ATOM 0 HA CYS A 73 11.307 -1.112 -14.481 1.00 0.00 H new ATOM 0 HB2 CYS A 73 13.367 0.384 -15.787 1.00 0.00 H new ATOM 0 HB3 CYS A 73 12.002 1.463 -15.581 1.00 0.00 H new ATOM 0 HG CYS A 73 11.848 0.836 -12.740 1.00 0.00 H new ATOM 1216 N ILE A 74 9.473 0.684 -15.189 1.00 0.00 N ATOM 1217 CA ILE A 74 8.191 1.240 -15.602 1.00 0.00 C ATOM 1218 C ILE A 74 8.206 2.764 -15.538 1.00 0.00 C ATOM 1219 O ILE A 74 8.632 3.349 -14.543 1.00 0.00 O ATOM 1220 CB ILE A 74 7.040 0.712 -14.726 1.00 0.00 C ATOM 1221 CG1 ILE A 74 6.954 -0.813 -14.824 1.00 0.00 C ATOM 1222 CG2 ILE A 74 5.722 1.350 -15.141 1.00 0.00 C ATOM 1223 CD1 ILE A 74 6.487 -1.306 -16.176 1.00 0.00 C ATOM 0 H ILE A 74 9.767 0.953 -14.250 1.00 0.00 H new ATOM 0 HA ILE A 74 8.027 0.924 -16.632 1.00 0.00 H new ATOM 0 HB ILE A 74 7.240 0.980 -13.689 1.00 0.00 H new ATOM 0 HG12 ILE A 74 7.934 -1.239 -14.610 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.272 -1.180 -14.057 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.918 0.966 -14.512 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.789 2.432 -15.025 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.514 1.109 -16.183 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.450 -2.395 -16.173 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.493 -0.910 -16.384 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.181 -0.969 -16.946 1.00 0.00 H new ATOM 1235 N ASN A 75 7.735 3.400 -16.606 1.00 0.00 N ATOM 1236 CA ASN A 75 7.693 4.857 -16.670 1.00 0.00 C ATOM 1237 C ASN A 75 6.255 5.363 -16.601 1.00 0.00 C ATOM 1238 O ASN A 75 5.408 4.970 -17.403 1.00 0.00 O ATOM 1239 CB ASN A 75 8.358 5.350 -17.957 1.00 0.00 C ATOM 1240 CG ASN A 75 9.669 4.642 -18.238 1.00 0.00 C ATOM 1241 OD1 ASN A 75 10.495 4.463 -17.343 1.00 0.00 O ATOM 1242 ND2 ASN A 75 9.866 4.237 -19.487 1.00 0.00 N ATOM 0 H ASN A 75 7.378 2.930 -17.438 1.00 0.00 H new ATOM 0 HA ASN A 75 8.239 5.250 -15.813 1.00 0.00 H new ATOM 0 HB2 ASN A 75 7.679 5.197 -18.795 1.00 0.00 H new ATOM 0 HB3 ASN A 75 8.536 6.423 -17.883 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.730 3.756 -19.737 1.00 0.00 H new ATOM 0 HD22 ASN A 75 9.153 4.407 -20.197 1.00 0.00 H new ATOM 1249 N VAL A 76 5.988 6.238 -15.637 1.00 0.00 N ATOM 1250 CA VAL A 76 4.654 6.800 -15.463 1.00 0.00 C ATOM 1251 C VAL A 76 4.657 8.306 -15.700 1.00 0.00 C ATOM 1252 O VAL A 76 5.424 9.042 -15.080 1.00 0.00 O ATOM 1253 CB VAL A 76 4.104 6.515 -14.053 1.00 0.00 C ATOM 1254 CG1 VAL A 76 2.668 7.002 -13.931 1.00 0.00 C ATOM 1255 CG2 VAL A 76 4.200 5.030 -13.734 1.00 0.00 C ATOM 0 H VAL A 76 6.678 6.573 -14.965 1.00 0.00 H new ATOM 0 HA VAL A 76 4.010 6.320 -16.200 1.00 0.00 H new ATOM 0 HB VAL A 76 4.710 7.060 -13.329 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.297 6.792 -12.928 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.631 8.076 -14.114 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.046 6.488 -14.663 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.807 4.847 -12.734 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.619 4.463 -14.462 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.243 4.715 -13.778 1.00 0.00 H new ATOM 1265 N LYS A 77 3.792 8.759 -16.602 1.00 0.00 N ATOM 1266 CA LYS A 77 3.692 10.178 -16.921 1.00 0.00 C ATOM 1267 C LYS A 77 2.367 10.754 -16.432 1.00 0.00 C ATOM 1268 O LYS A 77 1.324 10.107 -16.530 1.00 0.00 O ATOM 1269 CB LYS A 77 3.828 10.393 -18.430 1.00 0.00 C ATOM 1270 CG LYS A 77 3.987 11.851 -18.825 1.00 0.00 C ATOM 1271 CD LYS A 77 2.665 12.457 -19.266 1.00 0.00 C ATOM 1272 CE LYS A 77 2.877 13.639 -20.199 1.00 0.00 C ATOM 1273 NZ LYS A 77 1.979 14.779 -19.863 1.00 0.00 N ATOM 0 H LYS A 77 3.150 8.163 -17.125 1.00 0.00 H new ATOM 0 HA LYS A 77 4.504 10.697 -16.411 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.689 9.831 -18.792 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.948 9.984 -18.927 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.384 12.416 -17.982 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.713 11.933 -19.634 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.066 11.698 -19.769 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.102 12.780 -18.391 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.915 13.965 -20.141 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.698 13.326 -21.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.951 15.446 -20.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.020 14.422 -19.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.338 15.266 -19.017 1.00 0.00 H new ATOM 1287 N VAL A 78 2.415 11.974 -15.907 1.00 0.00 N ATOM 1288 CA VAL A 78 1.217 12.638 -15.405 1.00 0.00 C ATOM 1289 C VAL A 78 1.384 14.153 -15.416 1.00 0.00 C ATOM 1290 O VAL A 78 2.322 14.689 -14.827 1.00 0.00 O ATOM 1291 CB VAL A 78 0.879 12.180 -13.974 1.00 0.00 C ATOM 1292 CG1 VAL A 78 2.079 12.364 -13.057 1.00 0.00 C ATOM 1293 CG2 VAL A 78 -0.329 12.937 -13.444 1.00 0.00 C ATOM 0 H VAL A 78 3.270 12.523 -15.818 1.00 0.00 H new ATOM 0 HA VAL A 78 0.399 12.360 -16.070 1.00 0.00 H new ATOM 0 HB VAL A 78 0.631 11.119 -13.999 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.821 12.035 -12.050 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.915 11.772 -13.429 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.361 13.417 -13.034 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.554 12.601 -12.432 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.112 14.005 -13.432 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.188 12.748 -14.088 1.00 0.00 H new ATOM 1303 N ALA A 79 0.466 14.839 -16.091 1.00 0.00 N ATOM 1304 CA ALA A 79 0.510 16.293 -16.176 1.00 0.00 C ATOM 1305 C ALA A 79 -0.006 16.934 -14.893 1.00 0.00 C ATOM 1306 O ALA A 79 -0.821 16.350 -14.178 1.00 0.00 O ATOM 1307 CB ALA A 79 -0.299 16.776 -17.371 1.00 0.00 C ATOM 0 H ALA A 79 -0.316 14.411 -16.586 1.00 0.00 H new ATOM 0 HA ALA A 79 1.549 16.593 -16.309 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.258 17.864 -17.423 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.116 16.353 -18.286 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.336 16.457 -17.261 1.00 0.00 H new ATOM 1313 N LYS A 80 0.474 18.139 -14.604 1.00 0.00 N ATOM 1314 CA LYS A 80 0.062 18.861 -13.407 1.00 0.00 C ATOM 1315 C LYS A 80 -0.893 19.998 -13.758 1.00 0.00 C ATOM 1316 O LYS A 80 -1.059 20.343 -14.929 1.00 0.00 O ATOM 1317 CB LYS A 80 1.285 19.417 -12.674 1.00 0.00 C ATOM 1318 CG LYS A 80 1.134 19.434 -11.163 1.00 0.00 C ATOM 1319 CD LYS A 80 0.994 20.851 -10.633 1.00 0.00 C ATOM 1320 CE LYS A 80 0.899 20.871 -9.115 1.00 0.00 C ATOM 1321 NZ LYS A 80 2.115 20.297 -8.475 1.00 0.00 N ATOM 0 H LYS A 80 1.150 18.636 -15.184 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.459 18.161 -12.753 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.158 18.819 -12.937 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.477 20.432 -13.023 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.259 18.850 -10.877 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.000 18.957 -10.704 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.849 21.447 -10.953 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.105 21.314 -11.060 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.759 21.897 -8.774 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.022 20.307 -8.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.891 19.361 -8.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.869 20.202 -9.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.436 20.927 -7.712 1.00 0.00 H new ATOM 1335 N LEU A 81 -1.517 20.577 -12.739 1.00 0.00 N ATOM 1336 CA LEU A 81 -2.454 21.676 -12.940 1.00 0.00 C ATOM 1337 C LEU A 81 -1.714 22.970 -13.266 1.00 0.00 C ATOM 1338 O LEU A 81 -2.324 23.962 -13.662 1.00 0.00 O ATOM 1339 CB LEU A 81 -3.319 21.870 -11.693 1.00 0.00 C ATOM 1340 CG LEU A 81 -4.264 20.719 -11.346 1.00 0.00 C ATOM 1341 CD1 LEU A 81 -5.111 21.071 -10.133 1.00 0.00 C ATOM 1342 CD2 LEU A 81 -5.149 20.378 -12.536 1.00 0.00 C ATOM 0 H LEU A 81 -1.391 20.304 -11.764 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.096 21.424 -13.784 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.660 22.042 -10.842 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.913 22.774 -11.824 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.664 19.842 -11.102 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.777 20.240 -9.901 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.461 21.264 -9.279 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.702 21.961 -10.348 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.815 19.557 -12.271 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.741 21.251 -12.811 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.526 20.082 -13.380 1.00 0.00 H new ATOM 1354 N ASN A 82 -0.396 22.950 -13.097 1.00 0.00 N ATOM 1355 CA ASN A 82 0.428 24.121 -13.375 1.00 0.00 C ATOM 1356 C ASN A 82 1.771 23.712 -13.972 1.00 0.00 C ATOM 1357 O ASN A 82 2.353 22.699 -13.585 1.00 0.00 O ATOM 1358 CB ASN A 82 0.651 24.929 -12.095 1.00 0.00 C ATOM 1359 CG ASN A 82 -0.590 24.987 -11.224 1.00 0.00 C ATOM 1360 OD1 ASN A 82 -1.371 25.936 -11.300 1.00 0.00 O ATOM 1361 ND2 ASN A 82 -0.776 23.970 -10.391 1.00 0.00 N ATOM 0 H ASN A 82 0.124 22.136 -12.769 1.00 0.00 H new ATOM 0 HA ASN A 82 -0.098 24.741 -14.101 1.00 0.00 H new ATOM 0 HB2 ASN A 82 1.470 24.487 -11.527 1.00 0.00 H new ATOM 0 HB3 ASN A 82 0.956 25.942 -12.357 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -1.593 23.954 -9.780 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.102 23.205 -10.362 1.00 0.00 H new ATOM 1368 N LYS A 83 2.259 24.508 -14.918 1.00 0.00 N ATOM 1369 CA LYS A 83 3.534 24.232 -15.568 1.00 0.00 C ATOM 1370 C LYS A 83 4.694 24.796 -14.753 1.00 0.00 C ATOM 1371 O LYS A 83 4.509 25.695 -13.934 1.00 0.00 O ATOM 1372 CB LYS A 83 3.550 24.828 -16.978 1.00 0.00 C ATOM 1373 CG LYS A 83 4.720 24.355 -17.824 1.00 0.00 C ATOM 1374 CD LYS A 83 4.373 24.353 -19.303 1.00 0.00 C ATOM 1375 CE LYS A 83 4.493 22.960 -19.902 1.00 0.00 C ATOM 1376 NZ LYS A 83 3.858 22.876 -21.246 1.00 0.00 N ATOM 0 H LYS A 83 1.790 25.350 -15.251 1.00 0.00 H new ATOM 0 HA LYS A 83 3.653 23.151 -15.635 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.619 24.570 -17.483 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.582 25.915 -16.904 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.580 25.002 -17.652 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.010 23.351 -17.516 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.357 24.723 -19.440 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.035 25.037 -19.834 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.546 22.688 -19.980 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.026 22.236 -19.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.962 21.911 -21.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.848 23.110 -21.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.320 23.548 -21.891 1.00 0.00 H new ATOM 1390 N ASN A 84 5.889 24.262 -14.986 1.00 0.00 N ATOM 1391 CA ASN A 84 7.079 24.713 -14.274 1.00 0.00 C ATOM 1392 C ASN A 84 6.939 24.474 -12.774 1.00 0.00 C ATOM 1393 O ASN A 84 7.661 25.064 -11.971 1.00 0.00 O ATOM 1394 CB ASN A 84 7.327 26.199 -14.543 1.00 0.00 C ATOM 1395 CG ASN A 84 8.322 26.425 -15.665 1.00 0.00 C ATOM 1396 OD1 ASN A 84 8.110 25.751 -16.789 1.00 0.00 O flip ATOM 1397 ND2 ASN A 84 9.271 27.196 -15.521 1.00 0.00 N flip ATOM 0 H ASN A 84 6.059 23.517 -15.662 1.00 0.00 H new ATOM 0 HA ASN A 84 7.930 24.137 -14.638 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.383 26.682 -14.795 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.695 26.674 -13.633 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.395 27.693 -14.639 1.00 0.00 H new ATOM 0 HD22 ASN A 84 9.933 27.338 -16.284 1.00 0.00 H new ATOM 1404 N GLU A 85 6.005 23.603 -12.403 1.00 0.00 N ATOM 1405 CA GLU A 85 5.770 23.286 -11.000 1.00 0.00 C ATOM 1406 C GLU A 85 6.560 22.048 -10.582 1.00 0.00 C ATOM 1407 O GLU A 85 6.797 21.149 -11.389 1.00 0.00 O ATOM 1408 CB GLU A 85 4.278 23.061 -10.747 1.00 0.00 C ATOM 1409 CG GLU A 85 3.962 22.611 -9.331 1.00 0.00 C ATOM 1410 CD GLU A 85 4.487 23.572 -8.282 1.00 0.00 C ATOM 1411 OE1 GLU A 85 4.781 24.733 -8.636 1.00 0.00 O ATOM 1412 OE2 GLU A 85 4.604 23.163 -7.107 1.00 0.00 O ATOM 0 H GLU A 85 5.399 23.105 -13.055 1.00 0.00 H new ATOM 0 HA GLU A 85 6.109 24.132 -10.402 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.739 23.986 -10.954 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.908 22.313 -11.448 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.883 22.510 -9.218 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.393 21.624 -9.163 1.00 0.00 H new ATOM 1419 N TYR A 86 6.965 22.012 -9.318 1.00 0.00 N ATOM 1420 CA TYR A 86 7.731 20.887 -8.793 1.00 0.00 C ATOM 1421 C TYR A 86 7.113 20.364 -7.500 1.00 0.00 C ATOM 1422 O TYR A 86 6.013 20.763 -7.118 1.00 0.00 O ATOM 1423 CB TYR A 86 9.182 21.301 -8.547 1.00 0.00 C ATOM 1424 CG TYR A 86 9.362 22.185 -7.333 1.00 0.00 C ATOM 1425 CD1 TYR A 86 8.963 23.515 -7.353 1.00 0.00 C ATOM 1426 CD2 TYR A 86 9.932 21.689 -6.167 1.00 0.00 C ATOM 1427 CE1 TYR A 86 9.126 24.326 -6.246 1.00 0.00 C ATOM 1428 CE2 TYR A 86 10.098 22.492 -5.055 1.00 0.00 C ATOM 1429 CZ TYR A 86 9.693 23.810 -5.100 1.00 0.00 C ATOM 1430 OH TYR A 86 9.858 24.614 -3.995 1.00 0.00 O ATOM 0 H TYR A 86 6.776 22.748 -8.638 1.00 0.00 H new ATOM 0 HA TYR A 86 7.709 20.088 -9.534 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.791 20.405 -8.427 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.556 21.825 -9.427 1.00 0.00 H new ATOM 0 HD1 TYR A 86 8.518 23.922 -8.249 1.00 0.00 H new ATOM 0 HD2 TYR A 86 10.251 20.658 -6.129 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.811 25.359 -6.278 1.00 0.00 H new ATOM 0 HE2 TYR A 86 10.542 22.090 -4.156 1.00 0.00 H new ATOM 0 HH TYR A 86 10.271 24.096 -3.272 1.00 0.00 H new ATOM 1440 N PHE A 87 7.830 19.468 -6.830 1.00 0.00 N ATOM 1441 CA PHE A 87 7.354 18.888 -5.579 1.00 0.00 C ATOM 1442 C PHE A 87 8.466 18.860 -4.535 1.00 0.00 C ATOM 1443 O PHE A 87 9.649 18.849 -4.874 1.00 0.00 O ATOM 1444 CB PHE A 87 6.827 17.472 -5.817 1.00 0.00 C ATOM 1445 CG PHE A 87 5.594 17.427 -6.674 1.00 0.00 C ATOM 1446 CD1 PHE A 87 5.671 17.678 -8.035 1.00 0.00 C ATOM 1447 CD2 PHE A 87 4.359 17.133 -6.120 1.00 0.00 C ATOM 1448 CE1 PHE A 87 4.538 17.638 -8.826 1.00 0.00 C ATOM 1449 CE2 PHE A 87 3.223 17.091 -6.906 1.00 0.00 C ATOM 1450 CZ PHE A 87 3.313 17.343 -8.261 1.00 0.00 C ATOM 0 H PHE A 87 8.743 19.128 -7.132 1.00 0.00 H new ATOM 0 HA PHE A 87 6.543 19.512 -5.204 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.609 16.876 -6.288 1.00 0.00 H new ATOM 0 HB3 PHE A 87 6.608 17.008 -4.855 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.627 17.907 -8.482 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.283 16.934 -5.061 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.611 17.837 -9.885 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.266 16.861 -6.461 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.427 17.309 -8.878 1.00 0.00 H new ATOM 1460 N GLU A 88 8.076 18.849 -3.264 1.00 0.00 N ATOM 1461 CA GLU A 88 9.040 18.824 -2.170 1.00 0.00 C ATOM 1462 C GLU A 88 8.878 17.560 -1.331 1.00 0.00 C ATOM 1463 O GLU A 88 9.695 17.274 -0.455 1.00 0.00 O ATOM 1464 CB GLU A 88 8.873 20.061 -1.285 1.00 0.00 C ATOM 1465 CG GLU A 88 9.433 21.332 -1.903 1.00 0.00 C ATOM 1466 CD GLU A 88 10.943 21.415 -1.800 1.00 0.00 C ATOM 1467 OE1 GLU A 88 11.605 20.362 -1.907 1.00 0.00 O ATOM 1468 OE2 GLU A 88 11.463 22.535 -1.611 1.00 0.00 O ATOM 0 H GLU A 88 7.100 18.857 -2.967 1.00 0.00 H new ATOM 0 HA GLU A 88 10.041 18.827 -2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.814 20.206 -1.074 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.367 19.883 -0.330 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.141 21.380 -2.952 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.991 22.197 -1.409 1.00 0.00 H new ATOM 1475 N ASP A 89 7.819 16.807 -1.605 1.00 0.00 N ATOM 1476 CA ASP A 89 7.549 15.573 -0.877 1.00 0.00 C ATOM 1477 C ASP A 89 8.061 14.362 -1.651 1.00 0.00 C ATOM 1478 O ASP A 89 8.364 13.321 -1.067 1.00 0.00 O ATOM 1479 CB ASP A 89 6.049 15.428 -0.614 1.00 0.00 C ATOM 1480 CG ASP A 89 5.500 16.554 0.241 1.00 0.00 C ATOM 1481 OD1 ASP A 89 6.287 17.442 0.629 1.00 0.00 O ATOM 1482 OD2 ASP A 89 4.283 16.547 0.520 1.00 0.00 O ATOM 0 H ASP A 89 7.133 17.030 -2.326 1.00 0.00 H new ATOM 0 HA ASP A 89 8.074 15.621 0.077 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.517 15.405 -1.565 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.860 14.475 -0.120 1.00 0.00 H new ATOM 1487 N LEU A 90 8.154 14.505 -2.969 1.00 0.00 N ATOM 1488 CA LEU A 90 8.628 13.422 -3.824 1.00 0.00 C ATOM 1489 C LEU A 90 10.038 12.994 -3.429 1.00 0.00 C ATOM 1490 O LEU A 90 10.478 11.892 -3.757 1.00 0.00 O ATOM 1491 CB LEU A 90 8.607 13.858 -5.290 1.00 0.00 C ATOM 1492 CG LEU A 90 7.304 13.602 -6.048 1.00 0.00 C ATOM 1493 CD1 LEU A 90 6.115 14.123 -5.255 1.00 0.00 C ATOM 1494 CD2 LEU A 90 7.352 14.247 -7.425 1.00 0.00 C ATOM 0 H LEU A 90 7.908 15.360 -3.468 1.00 0.00 H new ATOM 0 HA LEU A 90 7.960 12.570 -3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.826 14.925 -5.334 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.415 13.345 -5.812 1.00 0.00 H new ATOM 0 HG LEU A 90 7.186 12.526 -6.177 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.196 13.932 -5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.069 13.615 -4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.226 15.195 -5.095 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.416 14.054 -7.950 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.493 15.323 -7.318 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.181 13.827 -7.995 1.00 0.00 H new ATOM 1506 N ASP A 91 10.740 13.872 -2.721 1.00 0.00 N ATOM 1507 CA ASP A 91 12.099 13.584 -2.278 1.00 0.00 C ATOM 1508 C ASP A 91 12.100 12.520 -1.184 1.00 0.00 C ATOM 1509 O ASP A 91 13.116 11.866 -0.940 1.00 0.00 O ATOM 1510 CB ASP A 91 12.773 14.858 -1.767 1.00 0.00 C ATOM 1511 CG ASP A 91 13.154 15.802 -2.891 1.00 0.00 C ATOM 1512 OD1 ASP A 91 12.357 15.944 -3.842 1.00 0.00 O ATOM 1513 OD2 ASP A 91 14.248 16.399 -2.818 1.00 0.00 O ATOM 0 H ASP A 91 10.391 14.789 -2.442 1.00 0.00 H new ATOM 0 HA ASP A 91 12.660 13.203 -3.132 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.101 15.370 -1.078 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.666 14.592 -1.202 1.00 0.00 H new ATOM 1518 N LEU A 92 10.957 12.352 -0.529 1.00 0.00 N ATOM 1519 CA LEU A 92 10.826 11.367 0.540 1.00 0.00 C ATOM 1520 C LEU A 92 9.846 10.266 0.148 1.00 0.00 C ATOM 1521 O LEU A 92 8.640 10.486 0.033 1.00 0.00 O ATOM 1522 CB LEU A 92 10.360 12.045 1.830 1.00 0.00 C ATOM 1523 CG LEU A 92 11.146 13.285 2.258 1.00 0.00 C ATOM 1524 CD1 LEU A 92 12.630 13.096 1.989 1.00 0.00 C ATOM 1525 CD2 LEU A 92 10.625 14.521 1.538 1.00 0.00 C ATOM 0 H LEU A 92 10.108 12.884 -0.719 1.00 0.00 H new ATOM 0 HA LEU A 92 11.804 10.915 0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.313 12.326 1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.405 11.314 2.638 1.00 0.00 H new ATOM 0 HG LEU A 92 11.008 13.427 3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.173 13.989 2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 92 12.995 12.236 2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.788 12.928 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.196 15.394 1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.733 14.388 0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.573 14.668 1.782 1.00 0.00 H new ATOM 1537 N PRO A 93 10.374 9.050 -0.059 1.00 0.00 N ATOM 1538 CA PRO A 93 9.563 7.889 -0.438 1.00 0.00 C ATOM 1539 C PRO A 93 8.665 7.413 0.699 1.00 0.00 C ATOM 1540 O PRO A 93 7.809 6.549 0.509 1.00 0.00 O ATOM 1541 CB PRO A 93 10.607 6.823 -0.777 1.00 0.00 C ATOM 1542 CG PRO A 93 11.814 7.213 0.004 1.00 0.00 C ATOM 1543 CD PRO A 93 11.803 8.715 0.061 1.00 0.00 C ATOM 0 HA PRO A 93 8.884 8.117 -1.260 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.261 5.827 -0.500 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.817 6.801 -1.846 1.00 0.00 H new ATOM 0 HG2 PRO A 93 11.786 6.784 1.006 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.723 6.847 -0.474 1.00 0.00 H new ATOM 0 HD2 PRO A 93 12.225 9.085 0.995 1.00 0.00 H new ATOM 0 HD3 PRO A 93 12.388 9.152 -0.748 1.00 0.00 H new ATOM 1551 N THR A 94 8.865 7.984 1.884 1.00 0.00 N ATOM 1552 CA THR A 94 8.074 7.617 3.052 1.00 0.00 C ATOM 1553 C THR A 94 6.899 8.569 3.240 1.00 0.00 C ATOM 1554 O THR A 94 5.902 8.223 3.875 1.00 0.00 O ATOM 1555 CB THR A 94 8.931 7.616 4.332 1.00 0.00 C ATOM 1556 OG1 THR A 94 9.532 8.902 4.520 1.00 0.00 O ATOM 1557 CG2 THR A 94 10.013 6.550 4.259 1.00 0.00 C ATOM 0 H THR A 94 9.568 8.702 2.059 1.00 0.00 H new ATOM 0 HA THR A 94 7.697 6.610 2.876 1.00 0.00 H new ATOM 0 HB THR A 94 8.281 7.392 5.178 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.074 8.894 5.337 1.00 0.00 H new ATOM 0 HG21 THR A 94 10.605 6.569 5.174 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.551 5.569 4.146 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.660 6.746 3.404 1.00 0.00 H new ATOM 1565 N LYS A 95 7.021 9.770 2.685 1.00 0.00 N ATOM 1566 CA LYS A 95 5.968 10.773 2.790 1.00 0.00 C ATOM 1567 C LYS A 95 4.801 10.435 1.867 1.00 0.00 C ATOM 1568 O LYS A 95 3.660 10.822 2.124 1.00 0.00 O ATOM 1569 CB LYS A 95 6.518 12.159 2.447 1.00 0.00 C ATOM 1570 CG LYS A 95 6.967 12.952 3.662 1.00 0.00 C ATOM 1571 CD LYS A 95 8.003 12.192 4.473 1.00 0.00 C ATOM 1572 CE LYS A 95 8.825 13.129 5.345 1.00 0.00 C ATOM 1573 NZ LYS A 95 9.450 12.414 6.492 1.00 0.00 N ATOM 0 H LYS A 95 7.840 10.073 2.157 1.00 0.00 H new ATOM 0 HA LYS A 95 5.606 10.777 3.818 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.360 12.048 1.764 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.751 12.724 1.917 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.384 13.906 3.341 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.105 13.176 4.290 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.505 11.453 5.100 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.664 11.646 3.800 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.603 13.598 4.742 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.187 13.929 5.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 10.001 13.087 7.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.707 11.988 7.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.079 11.667 6.134 1.00 0.00 H new ATOM 1587 N LEU A 96 5.093 9.710 0.793 1.00 0.00 N ATOM 1588 CA LEU A 96 4.068 9.319 -0.168 1.00 0.00 C ATOM 1589 C LEU A 96 3.257 8.136 0.352 1.00 0.00 C ATOM 1590 O LEU A 96 2.026 8.168 0.358 1.00 0.00 O ATOM 1591 CB LEU A 96 4.709 8.961 -1.510 1.00 0.00 C ATOM 1592 CG LEU A 96 5.822 9.892 -1.992 1.00 0.00 C ATOM 1593 CD1 LEU A 96 6.714 9.182 -2.998 1.00 0.00 C ATOM 1594 CD2 LEU A 96 5.233 11.158 -2.599 1.00 0.00 C ATOM 0 H LEU A 96 6.031 9.381 0.566 1.00 0.00 H new ATOM 0 HA LEU A 96 3.395 10.165 -0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.113 7.951 -1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.927 8.939 -2.269 1.00 0.00 H new ATOM 0 HG LEU A 96 6.431 10.174 -1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.500 9.860 -3.330 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.164 8.306 -2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.118 8.870 -3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.039 11.809 -2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.600 10.895 -3.447 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.637 11.678 -1.849 1.00 0.00 H new ATOM 1606 N LEU A 97 3.955 7.094 0.791 1.00 0.00 N ATOM 1607 CA LEU A 97 3.300 5.901 1.316 1.00 0.00 C ATOM 1608 C LEU A 97 2.444 6.241 2.532 1.00 0.00 C ATOM 1609 O LEU A 97 1.219 6.141 2.489 1.00 0.00 O ATOM 1610 CB LEU A 97 4.342 4.846 1.690 1.00 0.00 C ATOM 1611 CG LEU A 97 5.274 4.395 0.565 1.00 0.00 C ATOM 1612 CD1 LEU A 97 6.221 3.312 1.059 1.00 0.00 C ATOM 1613 CD2 LEU A 97 4.469 3.899 -0.627 1.00 0.00 C ATOM 0 H LEU A 97 4.974 7.051 0.794 1.00 0.00 H new ATOM 0 HA LEU A 97 2.650 5.501 0.538 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.951 5.239 2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.821 3.970 2.076 1.00 0.00 H new ATOM 0 HG LEU A 97 5.869 5.251 0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.877 3.003 0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.822 3.701 1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.644 2.454 1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.148 3.582 -1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.849 3.056 -0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.832 4.703 -0.996 1.00 0.00 H new