USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 985 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 TYR OH : rot -15:sc= -3.76! USER MOD Set 1.2: A 52 GLN :FLIP amide:sc= -4.17! C(o=-9.5!,f=-8.5!) USER MOD Set 1.3: A 95 MET CE :methyl 154:sc= -0.604 (180deg=-0.809) USER MOD Set 2.1: A 12 SER OG : rot -110:sc= -2.46 USER MOD Set 2.2: A 74 HIS : no HD1:sc= -3.49! C(o=-5.9!,f=-10!) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.349 USER MOD Set 3.2: A 85 SER OG : rot 155:sc= 0.377 USER MOD Single : A 6 THR OG1 : rot -18:sc= 0.615 USER MOD Single : A 13 GLN :FLIP amide:sc= -0.147 F(o=-1.1,f=-0.15) USER MOD Single : A 15 HIS : no HE2:sc= -3.7! C(o=-3.7!,f=-7.4!) USER MOD Single : A 28 HIS : no HD1:sc= -0.0114 K(o=-0.011,f=-1.2) USER MOD Single : A 31 SER OG : rot 113:sc= 0.385 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.123 K(o=-0.12,f=-2.3) USER MOD Single : A 40 THR OG1 : rot 122:sc= -0.72 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.354 F(o=-3.1!,f=-0.35) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0179 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.763 X(o=-0.76,f=-1.2) USER MOD Single : A 70 SER OG : rot -37:sc= 0.93 USER MOD Single : A 81 MET CE :methyl -165:sc= -3.68! (180deg=-4.59!) USER MOD Single : A 84 TYR OH : rot 57:sc= 0.508 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.00052) USER MOD Single : A 93 THR OG1 : rot -18:sc= 0.786 USER MOD Single : A 105 THR OG1 : rot -30:sc= 0.36 USER MOD Single : A 128 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot -71:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 5 17.051 -3.299 4.161 1.00 0.00 N ATOM 63 CA LEU A 5 15.774 -2.731 3.752 1.00 0.00 C ATOM 64 C LEU A 5 14.677 -3.122 4.724 1.00 0.00 C ATOM 65 O LEU A 5 14.916 -3.836 5.698 1.00 0.00 O ATOM 66 CB LEU A 5 15.409 -3.203 2.343 1.00 0.00 C ATOM 67 CG LEU A 5 15.492 -2.136 1.253 1.00 0.00 C ATOM 68 CD1 LEU A 5 16.900 -1.566 1.168 1.00 0.00 C ATOM 69 CD2 LEU A 5 15.065 -2.717 -0.084 1.00 0.00 C ATOM 0 HA LEU A 5 15.870 -1.645 3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 5 16.069 -4.027 2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 5 14.394 -3.600 2.363 1.00 0.00 H new ATOM 0 HG LEU A 5 14.813 -1.323 1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.939 -0.808 0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 5 17.169 -1.116 2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 5 17.603 -2.366 0.933 1.00 0.00 H new ATOM 0 HD21 LEU A 5 15.129 -1.947 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 5 15.722 -3.547 -0.347 1.00 0.00 H new ATOM 0 HD23 LEU A 5 14.038 -3.075 -0.014 1.00 0.00 H new ATOM 81 N THR A 6 13.475 -2.639 4.454 1.00 0.00 N ATOM 82 CA THR A 6 12.327 -2.918 5.298 1.00 0.00 C ATOM 83 C THR A 6 11.033 -2.716 4.516 1.00 0.00 C ATOM 84 O THR A 6 11.002 -1.969 3.542 1.00 0.00 O ATOM 85 CB THR A 6 12.340 -2.004 6.536 1.00 0.00 C ATOM 86 OG1 THR A 6 13.548 -2.206 7.279 1.00 0.00 O ATOM 87 CG2 THR A 6 11.145 -2.274 7.436 1.00 0.00 C ATOM 0 H THR A 6 13.269 -2.047 3.649 1.00 0.00 H new ATOM 0 HA THR A 6 12.383 -3.956 5.625 1.00 0.00 H new ATOM 0 HB THR A 6 12.285 -0.972 6.190 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.959 -3.054 7.011 1.00 0.00 H new ATOM 0 HG21 THR A 6 11.184 -1.612 8.301 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.224 -2.093 6.882 1.00 0.00 H new ATOM 0 HG23 THR A 6 11.169 -3.311 7.771 1.00 0.00 H new ATOM 95 N THR A 7 9.967 -3.382 4.939 1.00 0.00 N ATOM 96 CA THR A 7 8.682 -3.259 4.266 1.00 0.00 C ATOM 97 C THR A 7 7.590 -2.853 5.240 1.00 0.00 C ATOM 98 O THR A 7 7.019 -3.693 5.930 1.00 0.00 O ATOM 99 CB THR A 7 8.258 -4.573 3.573 1.00 0.00 C ATOM 100 OG1 THR A 7 9.292 -5.012 2.684 1.00 0.00 O ATOM 101 CG2 THR A 7 6.957 -4.386 2.792 1.00 0.00 C ATOM 0 H THR A 7 9.967 -4.011 5.742 1.00 0.00 H new ATOM 0 HA THR A 7 8.810 -2.486 3.508 1.00 0.00 H new ATOM 0 HB THR A 7 8.094 -5.326 4.344 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.017 -5.846 2.249 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.681 -5.326 2.314 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.164 -4.079 3.474 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.097 -3.619 2.030 1.00 0.00 H new ATOM 109 N LEU A 8 7.312 -1.560 5.303 1.00 0.00 N ATOM 110 CA LEU A 8 6.268 -1.058 6.159 1.00 0.00 C ATOM 111 C LEU A 8 4.995 -0.956 5.345 1.00 0.00 C ATOM 112 O LEU A 8 4.987 -0.360 4.274 1.00 0.00 O ATOM 113 CB LEU A 8 6.618 0.307 6.724 1.00 0.00 C ATOM 114 CG LEU A 8 5.407 1.075 7.216 1.00 0.00 C ATOM 115 CD1 LEU A 8 5.581 1.523 8.653 1.00 0.00 C ATOM 116 CD2 LEU A 8 5.134 2.250 6.305 1.00 0.00 C ATOM 0 H LEU A 8 7.801 -0.843 4.767 1.00 0.00 H new ATOM 0 HA LEU A 8 6.141 -1.741 6.999 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.322 0.183 7.547 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.125 0.892 5.957 1.00 0.00 H new ATOM 0 HG LEU A 8 4.545 0.409 7.191 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.695 2.070 8.973 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.719 0.651 9.292 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.454 2.171 8.729 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.262 2.796 6.666 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.999 2.913 6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.943 1.890 5.294 1.00 0.00 H new ATOM 128 N ILE A 9 3.929 -1.526 5.849 1.00 0.00 N ATOM 129 CA ILE A 9 2.667 -1.499 5.146 1.00 0.00 C ATOM 130 C ILE A 9 1.593 -0.922 6.049 1.00 0.00 C ATOM 131 O ILE A 9 1.630 -1.121 7.252 1.00 0.00 O ATOM 132 CB ILE A 9 2.305 -2.918 4.670 1.00 0.00 C ATOM 133 CG1 ILE A 9 3.405 -3.426 3.727 1.00 0.00 C ATOM 134 CG2 ILE A 9 0.943 -2.948 3.997 1.00 0.00 C ATOM 135 CD1 ILE A 9 3.176 -4.827 3.217 1.00 0.00 C ATOM 0 H ILE A 9 3.908 -2.015 6.744 1.00 0.00 H new ATOM 0 HA ILE A 9 2.746 -0.861 4.266 1.00 0.00 H new ATOM 0 HB ILE A 9 2.241 -3.578 5.535 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.482 -2.749 2.877 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.361 -3.392 4.249 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.719 -3.965 3.673 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.181 -2.616 4.702 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.950 -2.285 3.132 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.996 -5.113 2.558 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.130 -5.518 4.059 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.237 -4.864 2.665 1.00 0.00 H new ATOM 147 N TYR A 10 0.663 -0.170 5.483 1.00 0.00 N ATOM 148 CA TYR A 10 -0.390 0.428 6.281 1.00 0.00 C ATOM 149 C TYR A 10 -1.655 0.588 5.471 1.00 0.00 C ATOM 150 O TYR A 10 -1.657 0.395 4.260 1.00 0.00 O ATOM 151 CB TYR A 10 0.059 1.786 6.826 1.00 0.00 C ATOM 152 CG TYR A 10 0.692 2.687 5.794 1.00 0.00 C ATOM 153 CD1 TYR A 10 2.015 2.511 5.425 1.00 0.00 C ATOM 154 CD2 TYR A 10 -0.019 3.724 5.208 1.00 0.00 C ATOM 155 CE1 TYR A 10 2.617 3.340 4.503 1.00 0.00 C ATOM 156 CE2 TYR A 10 0.574 4.557 4.279 1.00 0.00 C ATOM 157 CZ TYR A 10 1.895 4.359 3.933 1.00 0.00 C ATOM 158 OH TYR A 10 2.500 5.189 3.019 1.00 0.00 O ATOM 0 H TYR A 10 0.617 0.038 4.486 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.599 -0.238 7.118 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.803 2.295 7.257 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.771 1.623 7.635 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.586 1.709 5.868 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.052 3.883 5.482 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.651 3.189 4.230 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.008 5.358 3.827 1.00 0.00 H new ATOM 0 HH TYR A 10 3.472 5.077 3.069 1.00 0.00 H new ATOM 168 N ARG A 11 -2.731 0.932 6.150 1.00 0.00 N ATOM 169 CA ARG A 11 -4.002 1.126 5.482 1.00 0.00 C ATOM 170 C ARG A 11 -4.810 2.203 6.176 1.00 0.00 C ATOM 171 O ARG A 11 -4.926 2.225 7.400 1.00 0.00 O ATOM 172 CB ARG A 11 -4.794 -0.181 5.409 1.00 0.00 C ATOM 173 CG ARG A 11 -5.575 -0.514 6.667 1.00 0.00 C ATOM 174 CD ARG A 11 -6.306 -1.841 6.530 1.00 0.00 C ATOM 175 NE ARG A 11 -6.928 -2.259 7.784 1.00 0.00 N ATOM 176 CZ ARG A 11 -7.769 -3.283 7.883 1.00 0.00 C ATOM 177 NH1 ARG A 11 -8.100 -3.981 6.804 1.00 0.00 N ATOM 178 NH2 ARG A 11 -8.285 -3.609 9.060 1.00 0.00 N ATOM 0 H ARG A 11 -2.751 1.082 7.159 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.798 1.451 4.462 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.488 -0.125 4.570 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.104 -0.998 5.198 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.896 -0.557 7.518 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.293 0.280 6.872 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.071 -1.755 5.758 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.605 -2.608 6.200 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.704 -1.736 8.631 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.709 -3.732 5.896 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.746 -4.767 6.883 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.037 -3.073 9.892 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.930 -4.395 9.134 1.00 0.00 H new ATOM 192 N SER A 12 -5.363 3.096 5.380 1.00 0.00 N ATOM 193 CA SER A 12 -6.157 4.188 5.899 1.00 0.00 C ATOM 194 C SER A 12 -7.547 4.137 5.316 1.00 0.00 C ATOM 195 O SER A 12 -8.011 3.087 4.875 1.00 0.00 O ATOM 196 CB SER A 12 -5.515 5.525 5.541 1.00 0.00 C ATOM 197 OG SER A 12 -5.561 5.747 4.143 1.00 0.00 O ATOM 0 H SER A 12 -5.275 3.085 4.364 1.00 0.00 H new ATOM 0 HA SER A 12 -6.210 4.091 6.983 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.033 6.332 6.059 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.480 5.539 5.882 1.00 0.00 H new ATOM 0 HG SER A 12 -4.656 5.684 3.772 1.00 0.00 H new ATOM 203 N GLN A 13 -8.206 5.277 5.318 1.00 0.00 N ATOM 204 CA GLN A 13 -9.533 5.368 4.752 1.00 0.00 C ATOM 205 C GLN A 13 -9.580 6.473 3.712 1.00 0.00 C ATOM 206 O GLN A 13 -8.681 6.600 2.881 1.00 0.00 O ATOM 207 CB GLN A 13 -10.590 5.597 5.825 1.00 0.00 C ATOM 208 CG GLN A 13 -10.553 4.593 6.948 1.00 0.00 C ATOM 209 CD GLN A 13 -11.922 4.039 7.285 1.00 0.00 C ATOM 210 OE1 GLN A 13 -12.943 4.881 7.181 1.00 0.00 O flip ATOM 211 NE2 GLN A 13 -12.059 2.871 7.650 1.00 0.00 N flip ATOM 0 H GLN A 13 -7.845 6.150 5.704 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.759 4.416 4.272 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -10.460 6.596 6.241 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.576 5.571 5.361 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.891 3.772 6.673 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.127 5.062 7.835 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.246 2.259 7.716 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.985 2.516 7.887 1.00 0.00 H new ATOM 220 N VAL A 14 -10.631 7.263 3.766 1.00 0.00 N ATOM 221 CA VAL A 14 -10.819 8.355 2.826 1.00 0.00 C ATOM 222 C VAL A 14 -12.019 9.201 3.239 1.00 0.00 C ATOM 223 O VAL A 14 -12.535 9.049 4.342 1.00 0.00 O ATOM 224 CB VAL A 14 -11.039 7.793 1.408 1.00 0.00 C ATOM 225 CG1 VAL A 14 -12.463 7.286 1.272 1.00 0.00 C ATOM 226 CG2 VAL A 14 -10.711 8.825 0.337 1.00 0.00 C ATOM 0 H VAL A 14 -11.376 7.170 4.456 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.927 8.981 2.829 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.355 6.958 1.258 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.614 6.890 0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.640 6.498 2.004 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.159 8.106 1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.878 8.392 -0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.352 9.697 0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.667 9.126 0.429 1.00 0.00 H new ATOM 236 N HIS A 15 -12.447 10.097 2.360 1.00 0.00 N ATOM 237 CA HIS A 15 -13.588 10.954 2.626 1.00 0.00 C ATOM 238 C HIS A 15 -14.881 10.340 2.089 1.00 0.00 C ATOM 239 O HIS A 15 -15.219 10.534 0.921 1.00 0.00 O ATOM 240 CB HIS A 15 -13.389 12.310 1.963 1.00 0.00 C ATOM 241 CG HIS A 15 -12.255 12.357 0.985 1.00 0.00 C ATOM 242 ND1 HIS A 15 -12.413 12.137 -0.367 1.00 0.00 N ATOM 243 CD2 HIS A 15 -10.941 12.614 1.171 1.00 0.00 C ATOM 244 CE1 HIS A 15 -11.244 12.257 -0.970 1.00 0.00 C ATOM 245 NE2 HIS A 15 -10.334 12.547 -0.058 1.00 0.00 N ATOM 0 H HIS A 15 -12.014 10.248 1.449 1.00 0.00 H new ATOM 0 HA HIS A 15 -13.667 11.067 3.707 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -14.309 12.589 1.449 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -13.217 13.058 2.737 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -13.295 11.916 -0.829 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -10.458 12.832 2.112 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -11.063 12.138 -2.028 1.00 0.00 H new ATOM 254 N PRO A 16 -15.625 9.591 2.922 1.00 0.00 N ATOM 255 CA PRO A 16 -16.890 8.976 2.501 1.00 0.00 C ATOM 256 C PRO A 16 -17.939 10.009 2.116 1.00 0.00 C ATOM 257 O PRO A 16 -18.980 9.678 1.547 1.00 0.00 O ATOM 258 CB PRO A 16 -17.342 8.202 3.736 1.00 0.00 C ATOM 259 CG PRO A 16 -16.630 8.846 4.874 1.00 0.00 C ATOM 260 CD PRO A 16 -15.300 9.258 4.320 1.00 0.00 C ATOM 0 HA PRO A 16 -16.760 8.355 1.615 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.423 8.258 3.864 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -17.085 7.146 3.656 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -17.184 9.706 5.250 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -16.512 8.154 5.708 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -14.885 10.112 4.855 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -14.567 8.454 4.386 1.00 0.00 H new ATOM 268 N ASP A 17 -17.651 11.261 2.432 1.00 0.00 N ATOM 269 CA ASP A 17 -18.564 12.362 2.134 1.00 0.00 C ATOM 270 C ASP A 17 -18.055 13.229 0.981 1.00 0.00 C ATOM 271 O ASP A 17 -18.828 13.638 0.115 1.00 0.00 O ATOM 272 CB ASP A 17 -18.768 13.228 3.380 1.00 0.00 C ATOM 273 CG ASP A 17 -19.705 14.392 3.129 1.00 0.00 C ATOM 274 OD1 ASP A 17 -20.933 14.203 3.250 1.00 0.00 O ATOM 275 OD2 ASP A 17 -19.210 15.495 2.811 1.00 0.00 O ATOM 0 H ASP A 17 -16.789 11.545 2.897 1.00 0.00 H new ATOM 0 HA ASP A 17 -19.515 11.925 1.829 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -19.167 12.612 4.186 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.803 13.608 3.717 1.00 0.00 H new ATOM 280 N ARG A 18 -16.754 13.505 0.977 1.00 0.00 N ATOM 281 CA ARG A 18 -16.148 14.337 -0.064 1.00 0.00 C ATOM 282 C ARG A 18 -16.087 13.573 -1.397 1.00 0.00 C ATOM 283 O ARG A 18 -16.491 12.412 -1.456 1.00 0.00 O ATOM 284 CB ARG A 18 -14.753 14.785 0.384 1.00 0.00 C ATOM 285 CG ARG A 18 -14.718 15.343 1.791 1.00 0.00 C ATOM 286 CD ARG A 18 -13.328 15.839 2.140 1.00 0.00 C ATOM 287 NE ARG A 18 -13.338 16.739 3.289 1.00 0.00 N ATOM 288 CZ ARG A 18 -12.499 16.640 4.314 1.00 0.00 C ATOM 289 NH1 ARG A 18 -11.585 15.678 4.339 1.00 0.00 N ATOM 290 NH2 ARG A 18 -12.574 17.502 5.319 1.00 0.00 N ATOM 0 H ARG A 18 -16.098 13.166 1.681 1.00 0.00 H new ATOM 0 HA ARG A 18 -16.763 15.223 -0.221 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.071 13.937 0.321 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.384 15.543 -0.308 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.434 16.160 1.881 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -15.023 14.573 2.500 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.683 14.987 2.353 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -12.901 16.355 1.280 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.030 17.488 3.306 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.525 15.011 3.569 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.943 15.605 5.128 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.276 18.242 5.305 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.929 17.425 6.106 1.00 0.00 H new ATOM 304 N PRO A 19 -15.583 14.197 -2.491 1.00 0.00 N ATOM 305 CA PRO A 19 -15.510 13.543 -3.798 1.00 0.00 C ATOM 306 C PRO A 19 -14.354 12.541 -3.890 1.00 0.00 C ATOM 307 O PRO A 19 -13.556 12.420 -2.961 1.00 0.00 O ATOM 308 CB PRO A 19 -15.316 14.703 -4.788 1.00 0.00 C ATOM 309 CG PRO A 19 -15.287 15.961 -3.977 1.00 0.00 C ATOM 310 CD PRO A 19 -15.032 15.558 -2.553 1.00 0.00 C ATOM 0 HA PRO A 19 -16.404 12.954 -4.002 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.389 14.582 -5.348 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -16.127 14.730 -5.516 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.506 16.632 -4.334 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.232 16.497 -4.063 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.969 15.574 -2.313 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.528 16.227 -1.849 1.00 0.00 H new ATOM 318 N PRO A 20 -14.254 11.807 -5.018 1.00 0.00 N ATOM 319 CA PRO A 20 -13.206 10.796 -5.225 1.00 0.00 C ATOM 320 C PRO A 20 -11.790 11.360 -5.125 1.00 0.00 C ATOM 321 O PRO A 20 -11.590 12.575 -5.103 1.00 0.00 O ATOM 322 CB PRO A 20 -13.471 10.281 -6.642 1.00 0.00 C ATOM 323 CG PRO A 20 -14.894 10.623 -6.918 1.00 0.00 C ATOM 324 CD PRO A 20 -15.153 11.902 -6.179 1.00 0.00 C ATOM 0 HA PRO A 20 -13.250 10.025 -4.455 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.805 10.753 -7.364 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.304 9.206 -6.709 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.067 10.746 -7.987 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -15.561 9.831 -6.576 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.928 12.774 -6.793 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -16.196 11.987 -5.875 1.00 0.00 H new ATOM 332 N VAL A 21 -10.814 10.457 -5.060 1.00 0.00 N ATOM 333 CA VAL A 21 -9.410 10.830 -4.961 1.00 0.00 C ATOM 334 C VAL A 21 -8.755 10.920 -6.331 1.00 0.00 C ATOM 335 O VAL A 21 -9.171 10.250 -7.276 1.00 0.00 O ATOM 336 CB VAL A 21 -8.616 9.806 -4.138 1.00 0.00 C ATOM 337 CG1 VAL A 21 -7.165 10.211 -4.054 1.00 0.00 C ATOM 338 CG2 VAL A 21 -9.195 9.639 -2.749 1.00 0.00 C ATOM 0 H VAL A 21 -10.976 9.450 -5.075 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.391 11.805 -4.473 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.688 8.845 -4.647 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.615 9.475 -3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.743 10.263 -5.058 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.087 11.188 -3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.607 8.907 -2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.169 10.595 -2.226 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.227 9.295 -2.824 1.00 0.00 H new ATOM 348 N ASP A 22 -7.726 11.754 -6.427 1.00 0.00 N ATOM 349 CA ASP A 22 -6.981 11.897 -7.660 1.00 0.00 C ATOM 350 C ASP A 22 -5.889 10.847 -7.702 1.00 0.00 C ATOM 351 O ASP A 22 -4.712 11.160 -7.751 1.00 0.00 O ATOM 352 CB ASP A 22 -6.383 13.298 -7.778 1.00 0.00 C ATOM 353 CG ASP A 22 -7.443 14.379 -7.854 1.00 0.00 C ATOM 354 OD1 ASP A 22 -7.891 14.846 -6.785 1.00 0.00 O ATOM 355 OD2 ASP A 22 -7.822 14.760 -8.980 1.00 0.00 O ATOM 0 H ASP A 22 -7.393 12.340 -5.661 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.656 11.755 -8.504 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.737 13.487 -6.920 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.755 13.347 -8.667 1.00 0.00 H new ATOM 360 N LEU A 23 -6.324 9.596 -7.671 1.00 0.00 N ATOM 361 CA LEU A 23 -5.452 8.427 -7.684 1.00 0.00 C ATOM 362 C LEU A 23 -4.428 8.436 -8.812 1.00 0.00 C ATOM 363 O LEU A 23 -3.696 7.472 -8.988 1.00 0.00 O ATOM 364 CB LEU A 23 -6.324 7.197 -7.791 1.00 0.00 C ATOM 365 CG LEU A 23 -7.506 7.196 -6.826 1.00 0.00 C ATOM 366 CD1 LEU A 23 -8.478 6.083 -7.168 1.00 0.00 C ATOM 367 CD2 LEU A 23 -7.012 7.041 -5.398 1.00 0.00 C ATOM 0 H LEU A 23 -7.315 9.358 -7.635 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.873 8.434 -6.760 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.699 7.116 -8.811 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.714 6.313 -7.605 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.029 8.148 -6.920 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.313 6.101 -6.467 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.852 6.225 -8.182 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.969 5.122 -7.101 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.863 7.041 -4.717 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.470 6.101 -5.301 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.349 7.870 -5.151 1.00 0.00 H new ATOM 379 N ASP A 24 -4.415 9.487 -9.602 1.00 0.00 N ATOM 380 CA ASP A 24 -3.461 9.630 -10.661 1.00 0.00 C ATOM 381 C ASP A 24 -2.382 10.584 -10.206 1.00 0.00 C ATOM 382 O ASP A 24 -1.186 10.363 -10.390 1.00 0.00 O ATOM 383 CB ASP A 24 -4.167 10.200 -11.867 1.00 0.00 C ATOM 384 CG ASP A 24 -4.775 9.133 -12.756 1.00 0.00 C ATOM 385 OD1 ASP A 24 -5.859 8.618 -12.409 1.00 0.00 O ATOM 386 OD2 ASP A 24 -4.166 8.811 -13.798 1.00 0.00 O ATOM 0 H ASP A 24 -5.071 10.264 -9.522 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.017 8.668 -10.916 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.952 10.879 -11.534 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.460 10.791 -12.449 1.00 0.00 H new ATOM 391 N ALA A 25 -2.859 11.653 -9.601 1.00 0.00 N ATOM 392 CA ALA A 25 -2.024 12.711 -9.074 1.00 0.00 C ATOM 393 C ALA A 25 -1.547 12.373 -7.664 1.00 0.00 C ATOM 394 O ALA A 25 -0.510 12.856 -7.204 1.00 0.00 O ATOM 395 CB ALA A 25 -2.831 13.996 -9.073 1.00 0.00 C ATOM 0 H ALA A 25 -3.856 11.813 -9.460 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.138 12.829 -9.698 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.221 14.809 -8.679 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.138 14.234 -10.092 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.715 13.870 -8.448 1.00 0.00 H new ATOM 401 N LEU A 26 -2.319 11.523 -7.000 1.00 0.00 N ATOM 402 CA LEU A 26 -2.043 11.094 -5.639 1.00 0.00 C ATOM 403 C LEU A 26 -0.800 10.221 -5.596 1.00 0.00 C ATOM 404 O LEU A 26 0.044 10.357 -4.710 1.00 0.00 O ATOM 405 CB LEU A 26 -3.276 10.343 -5.106 1.00 0.00 C ATOM 406 CG LEU A 26 -3.026 9.221 -4.092 1.00 0.00 C ATOM 407 CD1 LEU A 26 -4.283 8.963 -3.284 1.00 0.00 C ATOM 408 CD2 LEU A 26 -2.601 7.940 -4.790 1.00 0.00 C ATOM 0 H LEU A 26 -3.162 11.109 -7.397 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.848 11.959 -5.006 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.943 11.072 -4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.807 9.917 -5.957 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.222 9.538 -3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.096 8.164 -2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.566 9.871 -2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.091 8.668 -3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.430 7.161 -4.047 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.386 7.622 -5.476 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.682 8.117 -5.348 1.00 0.00 H new ATOM 420 N VAL A 27 -0.702 9.325 -6.565 1.00 0.00 N ATOM 421 CA VAL A 27 0.428 8.415 -6.660 1.00 0.00 C ATOM 422 C VAL A 27 1.594 9.072 -7.395 1.00 0.00 C ATOM 423 O VAL A 27 2.755 8.744 -7.159 1.00 0.00 O ATOM 424 CB VAL A 27 0.020 7.108 -7.373 1.00 0.00 C ATOM 425 CG1 VAL A 27 -1.014 7.394 -8.446 1.00 0.00 C ATOM 426 CG2 VAL A 27 1.228 6.393 -7.967 1.00 0.00 C ATOM 0 H VAL A 27 -1.397 9.208 -7.302 1.00 0.00 H new ATOM 0 HA VAL A 27 0.749 8.173 -5.647 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.420 6.444 -6.629 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.292 6.463 -8.940 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.897 7.841 -7.990 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.596 8.084 -9.179 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.902 5.477 -8.461 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.715 7.044 -8.693 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.932 6.146 -7.172 1.00 0.00 H new ATOM 436 N HIS A 28 1.272 10.010 -8.281 1.00 0.00 N ATOM 437 CA HIS A 28 2.288 10.714 -9.055 1.00 0.00 C ATOM 438 C HIS A 28 3.278 11.425 -8.141 1.00 0.00 C ATOM 439 O HIS A 28 4.481 11.169 -8.190 1.00 0.00 O ATOM 440 CB HIS A 28 1.629 11.730 -9.983 1.00 0.00 C ATOM 441 CG HIS A 28 2.599 12.458 -10.860 1.00 0.00 C ATOM 442 ND1 HIS A 28 2.840 13.811 -10.753 1.00 0.00 N ATOM 443 CD2 HIS A 28 3.391 12.015 -11.865 1.00 0.00 C ATOM 444 CE1 HIS A 28 3.738 14.169 -11.653 1.00 0.00 C ATOM 445 NE2 HIS A 28 4.088 13.098 -12.341 1.00 0.00 N ATOM 0 H HIS A 28 0.315 10.300 -8.480 1.00 0.00 H new ATOM 0 HA HIS A 28 2.831 9.977 -9.647 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.899 11.217 -10.610 1.00 0.00 H new ATOM 0 HB3 HIS A 28 1.080 12.455 -9.383 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.461 10.999 -12.225 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.121 15.168 -11.801 1.00 0.00 H new ATOM 0 HE2 HIS A 28 4.766 13.078 -13.103 1.00 0.00 H new ATOM 454 N ARG A 29 2.759 12.320 -7.309 1.00 0.00 N ATOM 455 CA ARG A 29 3.598 13.077 -6.382 1.00 0.00 C ATOM 456 C ARG A 29 4.306 12.155 -5.395 1.00 0.00 C ATOM 457 O ARG A 29 5.337 12.517 -4.828 1.00 0.00 O ATOM 458 CB ARG A 29 2.766 14.112 -5.623 1.00 0.00 C ATOM 459 CG ARG A 29 2.533 15.401 -6.398 1.00 0.00 C ATOM 460 CD ARG A 29 1.621 15.181 -7.593 1.00 0.00 C ATOM 461 NE ARG A 29 1.377 16.420 -8.327 1.00 0.00 N ATOM 462 CZ ARG A 29 0.658 16.487 -9.443 1.00 0.00 C ATOM 463 NH1 ARG A 29 0.120 15.387 -9.955 1.00 0.00 N ATOM 464 NH2 ARG A 29 0.477 17.652 -10.049 1.00 0.00 N ATOM 0 H ARG A 29 1.765 12.540 -7.256 1.00 0.00 H new ATOM 0 HA ARG A 29 4.355 13.593 -6.972 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.801 13.673 -5.368 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.266 14.349 -4.684 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.093 16.148 -5.737 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.489 15.799 -6.738 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.069 14.445 -8.261 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.671 14.767 -7.254 1.00 0.00 H new ATOM 0 HE ARG A 29 1.781 17.283 -7.963 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.258 14.489 -9.492 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.431 15.440 -10.811 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.890 18.499 -9.659 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.075 17.701 -10.905 1.00 0.00 H new ATOM 478 N ALA A 30 3.752 10.966 -5.192 1.00 0.00 N ATOM 479 CA ALA A 30 4.332 10.004 -4.268 1.00 0.00 C ATOM 480 C ALA A 30 5.558 9.323 -4.859 1.00 0.00 C ATOM 481 O ALA A 30 6.662 9.449 -4.334 1.00 0.00 O ATOM 482 CB ALA A 30 3.297 8.964 -3.887 1.00 0.00 C ATOM 0 H ALA A 30 2.902 10.646 -5.656 1.00 0.00 H new ATOM 0 HA ALA A 30 4.650 10.548 -3.378 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.739 8.247 -3.195 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.448 9.453 -3.409 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.959 8.442 -4.782 1.00 0.00 H new ATOM 488 N SER A 31 5.346 8.588 -5.945 1.00 0.00 N ATOM 489 CA SER A 31 6.425 7.876 -6.622 1.00 0.00 C ATOM 490 C SER A 31 7.613 8.793 -6.885 1.00 0.00 C ATOM 491 O SER A 31 8.761 8.367 -6.805 1.00 0.00 O ATOM 492 CB SER A 31 5.921 7.292 -7.944 1.00 0.00 C ATOM 493 OG SER A 31 6.972 6.663 -8.656 1.00 0.00 O ATOM 0 H SER A 31 4.430 8.469 -6.378 1.00 0.00 H new ATOM 0 HA SER A 31 6.755 7.068 -5.969 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.128 6.571 -7.748 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.488 8.085 -8.554 1.00 0.00 H new ATOM 0 HG SER A 31 6.812 5.697 -8.689 1.00 0.00 H new ATOM 499 N SER A 32 7.329 10.052 -7.192 1.00 0.00 N ATOM 500 CA SER A 32 8.380 11.025 -7.474 1.00 0.00 C ATOM 501 C SER A 32 9.241 11.287 -6.241 1.00 0.00 C ATOM 502 O SER A 32 10.422 11.607 -6.360 1.00 0.00 O ATOM 503 CB SER A 32 7.764 12.331 -7.970 1.00 0.00 C ATOM 504 OG SER A 32 8.762 13.305 -8.220 1.00 0.00 O ATOM 0 H SER A 32 6.381 10.425 -7.252 1.00 0.00 H new ATOM 0 HA SER A 32 9.023 10.611 -8.251 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.197 12.145 -8.882 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.060 12.709 -7.228 1.00 0.00 H new ATOM 0 HG SER A 32 8.341 14.131 -8.538 1.00 0.00 H new ATOM 510 N LYS A 33 8.640 11.170 -5.062 1.00 0.00 N ATOM 511 CA LYS A 33 9.352 11.393 -3.808 1.00 0.00 C ATOM 512 C LYS A 33 10.071 10.131 -3.334 1.00 0.00 C ATOM 513 O LYS A 33 11.229 10.178 -2.927 1.00 0.00 O ATOM 514 CB LYS A 33 8.377 11.876 -2.728 1.00 0.00 C ATOM 515 CG LYS A 33 9.057 12.379 -1.466 1.00 0.00 C ATOM 516 CD LYS A 33 8.050 12.971 -0.490 1.00 0.00 C ATOM 517 CE LYS A 33 7.963 12.155 0.790 1.00 0.00 C ATOM 518 NZ LYS A 33 7.252 12.893 1.870 1.00 0.00 N ATOM 0 H LYS A 33 7.657 10.921 -4.948 1.00 0.00 H new ATOM 0 HA LYS A 33 10.106 12.159 -3.987 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.760 12.675 -3.140 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.706 11.058 -2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.591 11.558 -0.987 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.800 13.133 -1.727 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.334 13.996 -0.250 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.068 13.015 -0.961 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.445 11.217 0.589 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.968 11.898 1.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.213 12.304 2.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.760 13.776 2.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.285 13.116 1.559 1.00 0.00 H new ATOM 532 N ASN A 34 9.373 9.007 -3.406 1.00 0.00 N ATOM 533 CA ASN A 34 9.908 7.719 -2.960 1.00 0.00 C ATOM 534 C ASN A 34 11.040 7.213 -3.850 1.00 0.00 C ATOM 535 O ASN A 34 12.027 6.674 -3.353 1.00 0.00 O ATOM 536 CB ASN A 34 8.787 6.677 -2.929 1.00 0.00 C ATOM 537 CG ASN A 34 7.816 6.892 -1.786 1.00 0.00 C ATOM 538 OD1 ASN A 34 7.765 7.969 -1.194 1.00 0.00 O ATOM 539 ND2 ASN A 34 7.031 5.866 -1.477 1.00 0.00 N ATOM 0 H ASN A 34 8.423 8.957 -3.773 1.00 0.00 H new ATOM 0 HA ASN A 34 10.318 7.872 -1.962 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.242 6.708 -3.873 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.224 5.682 -2.846 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.351 5.953 -0.722 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.108 4.991 -1.995 1.00 0.00 H new ATOM 546 N LEU A 35 10.893 7.381 -5.159 1.00 0.00 N ATOM 547 CA LEU A 35 11.899 6.908 -6.107 1.00 0.00 C ATOM 548 C LEU A 35 13.306 7.362 -5.712 1.00 0.00 C ATOM 549 O LEU A 35 14.183 6.531 -5.470 1.00 0.00 O ATOM 550 CB LEU A 35 11.578 7.400 -7.515 1.00 0.00 C ATOM 551 CG LEU A 35 11.553 6.317 -8.591 1.00 0.00 C ATOM 552 CD1 LEU A 35 10.148 5.752 -8.740 1.00 0.00 C ATOM 553 CD2 LEU A 35 12.058 6.875 -9.912 1.00 0.00 C ATOM 0 H LEU A 35 10.090 7.840 -5.589 1.00 0.00 H new ATOM 0 HA LEU A 35 11.875 5.818 -6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.607 7.895 -7.497 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.314 8.153 -7.796 1.00 0.00 H new ATOM 0 HG LEU A 35 12.215 5.505 -8.289 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.146 4.981 -9.511 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.828 5.319 -7.792 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.463 6.551 -9.024 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.035 6.092 -10.670 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.421 7.702 -10.225 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.081 7.231 -9.789 1.00 0.00 H new ATOM 565 N PRO A 36 13.543 8.685 -5.640 1.00 0.00 N ATOM 566 CA PRO A 36 14.851 9.232 -5.281 1.00 0.00 C ATOM 567 C PRO A 36 15.206 8.958 -3.825 1.00 0.00 C ATOM 568 O PRO A 36 16.378 8.890 -3.456 1.00 0.00 O ATOM 569 CB PRO A 36 14.689 10.728 -5.517 1.00 0.00 C ATOM 570 CG PRO A 36 13.232 10.974 -5.349 1.00 0.00 C ATOM 571 CD PRO A 36 12.560 9.749 -5.890 1.00 0.00 C ATOM 0 HA PRO A 36 15.656 8.783 -5.863 1.00 0.00 H new ATOM 0 HB2 PRO A 36 15.275 11.308 -4.804 1.00 0.00 H new ATOM 0 HB3 PRO A 36 15.028 11.012 -6.513 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.978 11.132 -4.301 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.919 11.866 -5.891 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.616 9.551 -5.383 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.337 9.849 -6.952 1.00 0.00 H new ATOM 579 N LEU A 37 14.171 8.807 -3.008 1.00 0.00 N ATOM 580 CA LEU A 37 14.335 8.542 -1.583 1.00 0.00 C ATOM 581 C LEU A 37 14.819 7.122 -1.339 1.00 0.00 C ATOM 582 O LEU A 37 15.395 6.817 -0.294 1.00 0.00 O ATOM 583 CB LEU A 37 13.006 8.774 -0.869 1.00 0.00 C ATOM 584 CG LEU A 37 12.904 10.095 -0.117 1.00 0.00 C ATOM 585 CD1 LEU A 37 13.165 11.263 -1.056 1.00 0.00 C ATOM 586 CD2 LEU A 37 11.537 10.219 0.535 1.00 0.00 C ATOM 0 H LEU A 37 13.199 8.864 -3.312 1.00 0.00 H new ATOM 0 HA LEU A 37 15.089 9.223 -1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 37 12.202 8.728 -1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.841 7.958 -0.165 1.00 0.00 H new ATOM 0 HG LEU A 37 13.663 10.115 0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.088 12.199 -0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.165 11.173 -1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.429 11.255 -1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.474 11.166 1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.763 10.183 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.392 9.396 1.235 1.00 0.00 H new ATOM 598 N GLY A 38 14.575 6.259 -2.311 1.00 0.00 N ATOM 599 CA GLY A 38 14.981 4.871 -2.195 1.00 0.00 C ATOM 600 C GLY A 38 13.841 3.987 -1.737 1.00 0.00 C ATOM 601 O GLY A 38 14.021 2.795 -1.494 1.00 0.00 O ATOM 0 H GLY A 38 14.101 6.494 -3.183 1.00 0.00 H new ATOM 0 HA2 GLY A 38 15.349 4.519 -3.158 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.808 4.792 -1.489 1.00 0.00 H new ATOM 605 N ILE A 39 12.663 4.585 -1.616 1.00 0.00 N ATOM 606 CA ILE A 39 11.472 3.865 -1.191 1.00 0.00 C ATOM 607 C ILE A 39 10.781 3.214 -2.383 1.00 0.00 C ATOM 608 O ILE A 39 10.948 3.650 -3.523 1.00 0.00 O ATOM 609 CB ILE A 39 10.479 4.814 -0.495 1.00 0.00 C ATOM 610 CG1 ILE A 39 11.188 5.622 0.590 1.00 0.00 C ATOM 611 CG2 ILE A 39 9.312 4.037 0.093 1.00 0.00 C ATOM 612 CD1 ILE A 39 10.509 6.939 0.889 1.00 0.00 C ATOM 0 H ILE A 39 12.508 5.575 -1.808 1.00 0.00 H new ATOM 0 HA ILE A 39 11.788 3.093 -0.489 1.00 0.00 H new ATOM 0 HB ILE A 39 10.085 5.505 -1.240 1.00 0.00 H new ATOM 0 HG12 ILE A 39 11.235 5.029 1.503 1.00 0.00 H new ATOM 0 HG13 ILE A 39 12.215 5.812 0.280 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.623 4.728 0.580 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.791 3.506 -0.703 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.684 3.320 0.825 1.00 0.00 H new ATOM 0 HD11 ILE A 39 11.061 7.465 1.668 1.00 0.00 H new ATOM 0 HD12 ILE A 39 10.485 7.549 -0.014 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.490 6.754 1.229 1.00 0.00 H new ATOM 624 N THR A 40 10.006 2.168 -2.119 1.00 0.00 N ATOM 625 CA THR A 40 9.287 1.466 -3.171 1.00 0.00 C ATOM 626 C THR A 40 7.990 0.897 -2.631 1.00 0.00 C ATOM 627 O THR A 40 7.840 0.734 -1.425 1.00 0.00 O ATOM 628 CB THR A 40 10.123 0.326 -3.772 1.00 0.00 C ATOM 629 OG1 THR A 40 11.113 -0.105 -2.833 1.00 0.00 O ATOM 630 CG2 THR A 40 10.791 0.771 -5.062 1.00 0.00 C ATOM 0 H THR A 40 9.861 1.788 -1.183 1.00 0.00 H new ATOM 0 HA THR A 40 9.078 2.191 -3.957 1.00 0.00 H new ATOM 0 HB THR A 40 9.457 -0.507 -3.997 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.994 -1.060 -2.647 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.378 -0.052 -5.470 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.029 1.066 -5.783 1.00 0.00 H new ATOM 0 HG23 THR A 40 11.446 1.618 -4.859 1.00 0.00 H new ATOM 638 N GLY A 41 7.043 0.612 -3.512 1.00 0.00 N ATOM 639 CA GLY A 41 5.790 0.064 -3.051 1.00 0.00 C ATOM 640 C GLY A 41 4.643 0.249 -4.014 1.00 0.00 C ATOM 641 O GLY A 41 4.837 0.504 -5.203 1.00 0.00 O ATOM 0 H GLY A 41 7.119 0.748 -4.520 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.921 -1.001 -2.859 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.530 0.530 -2.100 1.00 0.00 H new ATOM 645 N ILE A 42 3.440 0.113 -3.475 1.00 0.00 N ATOM 646 CA ILE A 42 2.216 0.238 -4.251 1.00 0.00 C ATOM 647 C ILE A 42 1.072 0.724 -3.366 1.00 0.00 C ATOM 648 O ILE A 42 1.091 0.535 -2.151 1.00 0.00 O ATOM 649 CB ILE A 42 1.833 -1.115 -4.891 1.00 0.00 C ATOM 650 CG1 ILE A 42 0.372 -1.126 -5.339 1.00 0.00 C ATOM 651 CG2 ILE A 42 2.070 -2.228 -3.896 1.00 0.00 C ATOM 652 CD1 ILE A 42 0.074 -2.140 -6.419 1.00 0.00 C ATOM 0 H ILE A 42 3.286 -0.087 -2.487 1.00 0.00 H new ATOM 0 HA ILE A 42 2.393 0.966 -5.043 1.00 0.00 H new ATOM 0 HB ILE A 42 2.457 -1.265 -5.772 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.262 -1.331 -4.476 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.105 -0.133 -5.702 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.800 -3.183 -4.347 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.123 -2.245 -3.613 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.459 -2.060 -3.009 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.982 -2.089 -6.685 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.681 -1.924 -7.298 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.308 -3.140 -6.054 1.00 0.00 H new ATOM 664 N LEU A 43 0.083 1.354 -3.981 1.00 0.00 N ATOM 665 CA LEU A 43 -1.071 1.855 -3.255 1.00 0.00 C ATOM 666 C LEU A 43 -2.343 1.168 -3.722 1.00 0.00 C ATOM 667 O LEU A 43 -2.379 0.562 -4.793 1.00 0.00 O ATOM 668 CB LEU A 43 -1.202 3.362 -3.430 1.00 0.00 C ATOM 669 CG LEU A 43 -0.909 4.184 -2.182 1.00 0.00 C ATOM 670 CD1 LEU A 43 -1.107 5.653 -2.478 1.00 0.00 C ATOM 671 CD2 LEU A 43 -1.795 3.747 -1.026 1.00 0.00 C ATOM 0 H LEU A 43 0.058 1.530 -4.985 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.923 1.634 -2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.526 3.680 -4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.215 3.587 -3.765 1.00 0.00 H new ATOM 0 HG LEU A 43 0.128 4.018 -1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.896 6.236 -1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.431 5.958 -3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.137 5.826 -2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.568 4.348 -0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.842 3.883 -1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.612 2.696 -0.804 1.00 0.00 H new ATOM 683 N LEU A 44 -3.385 1.263 -2.907 1.00 0.00 N ATOM 684 CA LEU A 44 -4.662 0.645 -3.221 1.00 0.00 C ATOM 685 C LEU A 44 -5.827 1.522 -2.791 1.00 0.00 C ATOM 686 O LEU A 44 -5.710 2.321 -1.865 1.00 0.00 O ATOM 687 CB LEU A 44 -4.768 -0.715 -2.540 1.00 0.00 C ATOM 688 CG LEU A 44 -4.160 -1.872 -3.323 1.00 0.00 C ATOM 689 CD1 LEU A 44 -2.697 -2.061 -2.967 1.00 0.00 C ATOM 690 CD2 LEU A 44 -4.939 -3.146 -3.067 1.00 0.00 C ATOM 0 H LEU A 44 -3.368 1.765 -2.019 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.711 0.519 -4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.280 -0.657 -1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.820 -0.932 -2.356 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.219 -1.634 -4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.288 -2.893 -3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.145 -1.151 -3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.606 -2.275 -1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.494 -3.965 -3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.911 -3.382 -2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.974 -3.009 -3.381 1.00 0.00 H new ATOM 702 N PHE A 45 -6.950 1.366 -3.478 1.00 0.00 N ATOM 703 CA PHE A 45 -8.152 2.126 -3.170 1.00 0.00 C ATOM 704 C PHE A 45 -9.388 1.302 -3.516 1.00 0.00 C ATOM 705 O PHE A 45 -9.468 0.721 -4.596 1.00 0.00 O ATOM 706 CB PHE A 45 -8.151 3.452 -3.934 1.00 0.00 C ATOM 707 CG PHE A 45 -9.248 4.394 -3.526 1.00 0.00 C ATOM 708 CD1 PHE A 45 -9.298 4.903 -2.238 1.00 0.00 C ATOM 709 CD2 PHE A 45 -10.224 4.776 -4.432 1.00 0.00 C ATOM 710 CE1 PHE A 45 -10.301 5.774 -1.860 1.00 0.00 C ATOM 711 CE2 PHE A 45 -11.230 5.647 -4.061 1.00 0.00 C ATOM 712 CZ PHE A 45 -11.268 6.148 -2.773 1.00 0.00 C ATOM 0 H PHE A 45 -7.053 0.716 -4.257 1.00 0.00 H new ATOM 0 HA PHE A 45 -8.171 2.349 -2.103 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.190 3.944 -3.786 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.242 3.245 -5.000 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.543 4.615 -1.521 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -10.198 4.388 -5.440 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -10.329 6.162 -0.853 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -11.986 5.936 -4.776 1.00 0.00 H new ATOM 0 HZ PHE A 45 -12.052 6.831 -2.481 1.00 0.00 H new ATOM 722 N ASN A 46 -10.353 1.254 -2.605 1.00 0.00 N ATOM 723 CA ASN A 46 -11.564 0.479 -2.828 1.00 0.00 C ATOM 724 C ASN A 46 -12.785 1.378 -2.752 1.00 0.00 C ATOM 725 O ASN A 46 -13.923 0.910 -2.818 1.00 0.00 O ATOM 726 CB ASN A 46 -11.674 -0.648 -1.799 1.00 0.00 C ATOM 727 CG ASN A 46 -12.157 -0.157 -0.447 1.00 0.00 C ATOM 728 OD1 ASN A 46 -11.226 0.258 0.404 1.00 0.00 O flip ATOM 729 ND2 ASN A 46 -13.357 -0.148 -0.171 1.00 0.00 N flip ATOM 0 H ASN A 46 -10.319 1.741 -1.709 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.514 0.038 -3.823 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.359 -1.409 -2.171 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.701 -1.125 -1.682 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -14.040 -0.476 -0.854 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -13.668 0.187 0.741 1.00 0.00 H new ATOM 736 N GLY A 47 -12.537 2.675 -2.614 1.00 0.00 N ATOM 737 CA GLY A 47 -13.621 3.626 -2.528 1.00 0.00 C ATOM 738 C GLY A 47 -13.842 4.122 -1.117 1.00 0.00 C ATOM 739 O GLY A 47 -14.698 4.973 -0.878 1.00 0.00 O ATOM 0 H GLY A 47 -11.603 3.082 -2.560 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.409 4.474 -3.179 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.537 3.163 -2.895 1.00 0.00 H new ATOM 743 N LEU A 48 -13.068 3.587 -0.180 1.00 0.00 N ATOM 744 CA LEU A 48 -13.188 3.977 1.215 1.00 0.00 C ATOM 745 C LEU A 48 -11.838 3.940 1.919 1.00 0.00 C ATOM 746 O LEU A 48 -11.562 4.773 2.777 1.00 0.00 O ATOM 747 CB LEU A 48 -14.174 3.052 1.936 1.00 0.00 C ATOM 748 CG LEU A 48 -14.847 3.630 3.190 1.00 0.00 C ATOM 749 CD1 LEU A 48 -13.842 3.802 4.320 1.00 0.00 C ATOM 750 CD2 LEU A 48 -15.527 4.956 2.874 1.00 0.00 C ATOM 0 H LEU A 48 -12.353 2.883 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.560 5.001 1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -14.953 2.764 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -13.646 2.141 2.218 1.00 0.00 H new ATOM 0 HG LEU A 48 -15.608 2.922 3.518 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.345 4.213 5.195 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.408 2.834 4.572 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -13.052 4.482 4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -15.997 5.348 3.776 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.785 5.668 2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -16.286 4.802 2.107 1.00 0.00 H new ATOM 762 N GLN A 49 -10.990 2.986 1.546 1.00 0.00 N ATOM 763 CA GLN A 49 -9.686 2.848 2.192 1.00 0.00 C ATOM 764 C GLN A 49 -8.511 2.957 1.223 1.00 0.00 C ATOM 765 O GLN A 49 -8.673 2.893 0.006 1.00 0.00 O ATOM 766 CB GLN A 49 -9.610 1.506 2.916 1.00 0.00 C ATOM 767 CG GLN A 49 -10.583 1.376 4.072 1.00 0.00 C ATOM 768 CD GLN A 49 -10.674 -0.041 4.602 1.00 0.00 C ATOM 769 OE1 GLN A 49 -11.493 -0.837 4.141 1.00 0.00 O ATOM 770 NE2 GLN A 49 -9.831 -0.365 5.575 1.00 0.00 N ATOM 0 H GLN A 49 -11.177 2.305 0.810 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.601 3.678 2.893 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.802 0.707 2.200 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.596 1.362 3.289 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.275 2.042 4.878 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -11.571 1.703 3.749 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.169 0.326 5.927 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.846 -1.305 5.970 1.00 0.00 H new ATOM 779 N PHE A 50 -7.321 3.123 1.807 1.00 0.00 N ATOM 780 CA PHE A 50 -6.074 3.220 1.052 1.00 0.00 C ATOM 781 C PHE A 50 -5.044 2.254 1.617 1.00 0.00 C ATOM 782 O PHE A 50 -4.471 2.501 2.677 1.00 0.00 O ATOM 783 CB PHE A 50 -5.486 4.628 1.120 1.00 0.00 C ATOM 784 CG PHE A 50 -5.954 5.560 0.041 1.00 0.00 C ATOM 785 CD1 PHE A 50 -5.612 5.343 -1.287 1.00 0.00 C ATOM 786 CD2 PHE A 50 -6.726 6.663 0.355 1.00 0.00 C ATOM 787 CE1 PHE A 50 -6.034 6.204 -2.268 1.00 0.00 C ATOM 788 CE2 PHE A 50 -7.152 7.528 -0.624 1.00 0.00 C ATOM 789 CZ PHE A 50 -6.804 7.297 -1.937 1.00 0.00 C ATOM 0 H PHE A 50 -7.198 3.194 2.817 1.00 0.00 H new ATOM 0 HA PHE A 50 -6.306 2.975 0.015 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.733 5.063 2.088 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.400 4.555 1.071 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -5.008 4.488 -1.550 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.998 6.847 1.384 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.763 6.025 -3.298 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.757 8.385 -0.366 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.136 7.975 -2.709 1.00 0.00 H new ATOM 799 N PHE A 51 -4.804 1.164 0.912 1.00 0.00 N ATOM 800 CA PHE A 51 -3.826 0.182 1.358 1.00 0.00 C ATOM 801 C PHE A 51 -2.491 0.493 0.706 1.00 0.00 C ATOM 802 O PHE A 51 -2.402 0.548 -0.515 1.00 0.00 O ATOM 803 CB PHE A 51 -4.294 -1.221 0.999 1.00 0.00 C ATOM 804 CG PHE A 51 -3.321 -2.297 1.370 1.00 0.00 C ATOM 805 CD1 PHE A 51 -3.282 -2.809 2.653 1.00 0.00 C ATOM 806 CD2 PHE A 51 -2.451 -2.802 0.424 1.00 0.00 C ATOM 807 CE1 PHE A 51 -2.388 -3.806 2.985 1.00 0.00 C ATOM 808 CE2 PHE A 51 -1.557 -3.800 0.749 1.00 0.00 C ATOM 809 CZ PHE A 51 -1.524 -4.304 2.029 1.00 0.00 C ATOM 0 H PHE A 51 -5.268 0.935 0.033 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.715 0.229 2.441 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.244 -1.416 1.497 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.481 -1.268 -0.074 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.958 -2.425 3.403 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.471 -2.411 -0.582 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.364 -4.197 3.992 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.883 -4.186 -0.001 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.825 -5.086 2.285 1.00 0.00 H new ATOM 819 N GLN A 52 -1.447 0.681 1.500 1.00 0.00 N ATOM 820 CA GLN A 52 -0.169 1.049 0.931 1.00 0.00 C ATOM 821 C GLN A 52 0.967 0.138 1.359 1.00 0.00 C ATOM 822 O GLN A 52 1.329 0.072 2.534 1.00 0.00 O ATOM 823 CB GLN A 52 0.155 2.486 1.313 1.00 0.00 C ATOM 824 CG GLN A 52 1.180 3.129 0.404 1.00 0.00 C ATOM 825 CD GLN A 52 1.102 4.638 0.424 1.00 0.00 C ATOM 826 OE1 GLN A 52 1.444 5.258 -0.689 1.00 0.00 O flip ATOM 827 NE2 GLN A 52 0.704 5.242 1.416 1.00 0.00 N flip ATOM 0 H GLN A 52 -1.461 0.587 2.516 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.260 0.944 -0.150 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.761 3.076 1.291 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.524 2.508 2.338 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.179 2.816 0.708 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.031 2.774 -0.616 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.449 4.727 2.258 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.629 6.259 1.398 1.00 0.00 H new ATOM 836 N VAL A 53 1.522 -0.562 0.381 1.00 0.00 N ATOM 837 CA VAL A 53 2.662 -1.432 0.618 1.00 0.00 C ATOM 838 C VAL A 53 3.929 -0.625 0.438 1.00 0.00 C ATOM 839 O VAL A 53 4.301 -0.291 -0.680 1.00 0.00 O ATOM 840 CB VAL A 53 2.697 -2.635 -0.346 1.00 0.00 C ATOM 841 CG1 VAL A 53 4.077 -3.284 -0.363 1.00 0.00 C ATOM 842 CG2 VAL A 53 1.644 -3.647 0.040 1.00 0.00 C ATOM 0 H VAL A 53 1.200 -0.544 -0.587 1.00 0.00 H new ATOM 0 HA VAL A 53 2.577 -1.825 1.631 1.00 0.00 H new ATOM 0 HB VAL A 53 2.483 -2.271 -1.351 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.073 -4.129 -1.051 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.818 -2.554 -0.689 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.327 -3.633 0.639 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.680 -4.491 -0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.832 -3.999 1.054 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.659 -3.183 -0.006 1.00 0.00 H new ATOM 852 N LEU A 54 4.583 -0.300 1.535 1.00 0.00 N ATOM 853 CA LEU A 54 5.799 0.489 1.466 1.00 0.00 C ATOM 854 C LEU A 54 7.032 -0.354 1.749 1.00 0.00 C ATOM 855 O LEU A 54 7.013 -1.249 2.593 1.00 0.00 O ATOM 856 CB LEU A 54 5.728 1.653 2.446 1.00 0.00 C ATOM 857 CG LEU A 54 5.854 3.036 1.820 1.00 0.00 C ATOM 858 CD1 LEU A 54 4.600 3.390 1.027 1.00 0.00 C ATOM 859 CD2 LEU A 54 6.129 4.059 2.902 1.00 0.00 C ATOM 0 H LEU A 54 4.297 -0.566 2.477 1.00 0.00 H new ATOM 0 HA LEU A 54 5.884 0.876 0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.780 1.599 2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.519 1.533 3.186 1.00 0.00 H new ATOM 0 HG LEU A 54 6.690 3.036 1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.714 4.382 0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.453 2.658 0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.736 3.383 1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.219 5.048 2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.308 4.059 3.619 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.058 3.807 3.414 1.00 0.00 H new ATOM 871 N GLU A 55 8.102 -0.050 1.029 1.00 0.00 N ATOM 872 CA GLU A 55 9.366 -0.763 1.182 1.00 0.00 C ATOM 873 C GLU A 55 10.522 0.224 1.248 1.00 0.00 C ATOM 874 O GLU A 55 10.382 1.382 0.862 1.00 0.00 O ATOM 875 CB GLU A 55 9.585 -1.743 0.027 1.00 0.00 C ATOM 876 CG GLU A 55 8.321 -2.076 -0.745 1.00 0.00 C ATOM 877 CD GLU A 55 8.305 -3.505 -1.250 1.00 0.00 C ATOM 878 OE1 GLU A 55 8.994 -3.787 -2.255 1.00 0.00 O ATOM 879 OE2 GLU A 55 7.607 -4.343 -0.642 1.00 0.00 O ATOM 0 H GLU A 55 8.121 0.691 0.328 1.00 0.00 H new ATOM 0 HA GLU A 55 9.324 -1.330 2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.318 -1.321 -0.660 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.012 -2.665 0.422 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.455 -1.911 -0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.226 -1.395 -1.591 1.00 0.00 H new ATOM 886 N GLY A 56 11.665 -0.240 1.732 1.00 0.00 N ATOM 887 CA GLY A 56 12.822 0.622 1.854 1.00 0.00 C ATOM 888 C GLY A 56 13.369 0.634 3.266 1.00 0.00 C ATOM 889 O GLY A 56 12.871 -0.082 4.133 1.00 0.00 O ATOM 0 H GLY A 56 11.812 -1.200 2.043 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.599 0.287 1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.552 1.636 1.560 1.00 0.00 H new ATOM 893 N THR A 57 14.388 1.452 3.504 1.00 0.00 N ATOM 894 CA THR A 57 14.991 1.542 4.827 1.00 0.00 C ATOM 895 C THR A 57 13.954 1.911 5.878 1.00 0.00 C ATOM 896 O THR A 57 13.122 2.791 5.669 1.00 0.00 O ATOM 897 CB THR A 57 16.138 2.564 4.859 1.00 0.00 C ATOM 898 OG1 THR A 57 15.810 3.699 4.048 1.00 0.00 O ATOM 899 CG2 THR A 57 17.425 1.927 4.368 1.00 0.00 C ATOM 0 H THR A 57 14.811 2.059 2.802 1.00 0.00 H new ATOM 0 HA THR A 57 15.397 0.557 5.056 1.00 0.00 H new ATOM 0 HB THR A 57 16.282 2.895 5.888 1.00 0.00 H new ATOM 0 HG1 THR A 57 16.546 4.345 4.076 1.00 0.00 H new ATOM 0 HG21 THR A 57 18.229 2.663 4.396 1.00 0.00 H new ATOM 0 HG22 THR A 57 17.682 1.084 5.010 1.00 0.00 H new ATOM 0 HG23 THR A 57 17.290 1.576 3.345 1.00 0.00 H new ATOM 907 N GLU A 58 14.022 1.219 7.011 1.00 0.00 N ATOM 908 CA GLU A 58 13.091 1.435 8.113 1.00 0.00 C ATOM 909 C GLU A 58 13.010 2.910 8.500 1.00 0.00 C ATOM 910 O GLU A 58 12.003 3.359 9.046 1.00 0.00 O ATOM 911 CB GLU A 58 13.514 0.606 9.325 1.00 0.00 C ATOM 912 CG GLU A 58 12.355 0.235 10.234 1.00 0.00 C ATOM 913 CD GLU A 58 12.812 -0.265 11.588 1.00 0.00 C ATOM 914 OE1 GLU A 58 13.069 0.574 12.477 1.00 0.00 O ATOM 915 OE2 GLU A 58 12.915 -1.499 11.762 1.00 0.00 O ATOM 0 H GLU A 58 14.720 0.497 7.191 1.00 0.00 H new ATOM 0 HA GLU A 58 12.103 1.119 7.779 1.00 0.00 H new ATOM 0 HB2 GLU A 58 14.002 -0.305 8.980 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.252 1.166 9.899 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.712 1.105 10.370 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.752 -0.534 9.752 1.00 0.00 H new ATOM 922 N GLU A 59 14.074 3.655 8.221 1.00 0.00 N ATOM 923 CA GLU A 59 14.112 5.076 8.542 1.00 0.00 C ATOM 924 C GLU A 59 13.235 5.877 7.593 1.00 0.00 C ATOM 925 O GLU A 59 12.589 6.848 7.989 1.00 0.00 O ATOM 926 CB GLU A 59 15.538 5.593 8.502 1.00 0.00 C ATOM 927 CG GLU A 59 16.238 5.375 7.170 1.00 0.00 C ATOM 928 CD GLU A 59 17.688 5.820 7.193 1.00 0.00 C ATOM 929 OE1 GLU A 59 17.941 7.027 7.000 1.00 0.00 O ATOM 930 OE2 GLU A 59 18.570 4.961 7.404 1.00 0.00 O ATOM 0 H GLU A 59 14.919 3.299 7.774 1.00 0.00 H new ATOM 0 HA GLU A 59 13.721 5.201 9.552 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.533 6.659 8.728 1.00 0.00 H new ATOM 0 HB3 GLU A 59 16.113 5.103 9.288 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.190 4.318 6.907 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.707 5.921 6.391 1.00 0.00 H new ATOM 937 N ALA A 60 13.222 5.458 6.339 1.00 0.00 N ATOM 938 CA ALA A 60 12.425 6.115 5.311 1.00 0.00 C ATOM 939 C ALA A 60 10.952 5.773 5.478 1.00 0.00 C ATOM 940 O ALA A 60 10.084 6.629 5.317 1.00 0.00 O ATOM 941 CB ALA A 60 12.910 5.711 3.928 1.00 0.00 C ATOM 0 H ALA A 60 13.759 4.658 6.004 1.00 0.00 H new ATOM 0 HA ALA A 60 12.542 7.193 5.419 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.305 6.209 3.170 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.954 6.002 3.809 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.819 4.631 3.812 1.00 0.00 H new ATOM 947 N LEU A 61 10.680 4.513 5.799 1.00 0.00 N ATOM 948 CA LEU A 61 9.313 4.049 5.997 1.00 0.00 C ATOM 949 C LEU A 61 8.645 4.800 7.139 1.00 0.00 C ATOM 950 O LEU A 61 7.511 5.246 7.015 1.00 0.00 O ATOM 951 CB LEU A 61 9.298 2.552 6.286 1.00 0.00 C ATOM 952 CG LEU A 61 10.126 1.695 5.325 1.00 0.00 C ATOM 953 CD1 LEU A 61 9.851 0.220 5.555 1.00 0.00 C ATOM 954 CD2 LEU A 61 9.833 2.066 3.880 1.00 0.00 C ATOM 0 H LEU A 61 11.391 3.793 5.928 1.00 0.00 H new ATOM 0 HA LEU A 61 8.756 4.242 5.081 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.664 2.390 7.300 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.266 2.204 6.261 1.00 0.00 H new ATOM 0 HG LEU A 61 11.180 1.889 5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.448 -0.374 4.863 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.114 -0.044 6.579 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.793 0.017 5.388 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.433 1.444 3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.775 1.906 3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.080 3.115 3.716 1.00 0.00 H new ATOM 966 N GLU A 62 9.360 4.937 8.249 1.00 0.00 N ATOM 967 CA GLU A 62 8.834 5.628 9.417 1.00 0.00 C ATOM 968 C GLU A 62 8.440 7.062 9.083 1.00 0.00 C ATOM 969 O GLU A 62 7.287 7.456 9.249 1.00 0.00 O ATOM 970 CB GLU A 62 9.884 5.638 10.524 1.00 0.00 C ATOM 971 CG GLU A 62 9.327 6.009 11.888 1.00 0.00 C ATOM 972 CD GLU A 62 10.401 6.085 12.954 1.00 0.00 C ATOM 973 OE1 GLU A 62 10.781 5.023 13.491 1.00 0.00 O ATOM 974 OE2 GLU A 62 10.862 7.206 13.255 1.00 0.00 O ATOM 0 H GLU A 62 10.308 4.577 8.364 1.00 0.00 H new ATOM 0 HA GLU A 62 7.943 5.096 9.750 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.345 4.652 10.585 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.672 6.342 10.259 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.819 6.971 11.820 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.578 5.274 12.183 1.00 0.00 H new ATOM 981 N SER A 63 9.412 7.830 8.611 1.00 0.00 N ATOM 982 CA SER A 63 9.194 9.227 8.250 1.00 0.00 C ATOM 983 C SER A 63 8.069 9.379 7.232 1.00 0.00 C ATOM 984 O SER A 63 7.174 10.205 7.400 1.00 0.00 O ATOM 985 CB SER A 63 10.473 9.825 7.672 1.00 0.00 C ATOM 986 OG SER A 63 11.481 9.936 8.661 1.00 0.00 O ATOM 0 H SER A 63 10.369 7.507 8.468 1.00 0.00 H new ATOM 0 HA SER A 63 8.910 9.757 9.159 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.831 9.201 6.853 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.261 10.809 7.254 1.00 0.00 H new ATOM 0 HG SER A 63 12.290 10.320 8.262 1.00 0.00 H new ATOM 992 N LEU A 64 8.126 8.570 6.184 1.00 0.00 N ATOM 993 CA LEU A 64 7.136 8.608 5.120 1.00 0.00 C ATOM 994 C LEU A 64 5.762 8.323 5.693 1.00 0.00 C ATOM 995 O LEU A 64 4.869 9.161 5.660 1.00 0.00 O ATOM 996 CB LEU A 64 7.508 7.560 4.070 1.00 0.00 C ATOM 997 CG LEU A 64 6.884 7.717 2.681 1.00 0.00 C ATOM 998 CD1 LEU A 64 5.388 7.552 2.748 1.00 0.00 C ATOM 999 CD2 LEU A 64 7.218 9.063 2.070 1.00 0.00 C ATOM 0 H LEU A 64 8.857 7.872 6.048 1.00 0.00 H new ATOM 0 HA LEU A 64 7.117 9.594 4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.592 7.564 3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.231 6.579 4.457 1.00 0.00 H new ATOM 0 HG LEU A 64 7.305 6.936 2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.964 7.667 1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.148 6.560 3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.968 8.309 3.410 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.759 9.139 1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.837 9.858 2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.299 9.161 1.975 1.00 0.00 H new ATOM 1011 N PHE A 65 5.616 7.118 6.201 1.00 0.00 N ATOM 1012 CA PHE A 65 4.382 6.666 6.815 1.00 0.00 C ATOM 1013 C PHE A 65 3.877 7.687 7.835 1.00 0.00 C ATOM 1014 O PHE A 65 2.670 7.823 8.050 1.00 0.00 O ATOM 1015 CB PHE A 65 4.666 5.308 7.452 1.00 0.00 C ATOM 1016 CG PHE A 65 3.629 4.782 8.393 1.00 0.00 C ATOM 1017 CD1 PHE A 65 2.307 4.743 8.022 1.00 0.00 C ATOM 1018 CD2 PHE A 65 3.992 4.298 9.638 1.00 0.00 C ATOM 1019 CE1 PHE A 65 1.349 4.235 8.875 1.00 0.00 C ATOM 1020 CE2 PHE A 65 3.041 3.790 10.500 1.00 0.00 C ATOM 1021 CZ PHE A 65 1.716 3.760 10.118 1.00 0.00 C ATOM 0 H PHE A 65 6.357 6.417 6.200 1.00 0.00 H new ATOM 0 HA PHE A 65 3.590 6.565 6.073 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.803 4.579 6.654 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.612 5.374 7.989 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.014 5.114 7.051 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.029 4.318 9.938 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.313 4.209 8.571 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.334 3.417 11.470 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.968 3.366 10.790 1.00 0.00 H new ATOM 1031 N SER A 66 4.807 8.415 8.448 1.00 0.00 N ATOM 1032 CA SER A 66 4.444 9.439 9.421 1.00 0.00 C ATOM 1033 C SER A 66 3.898 10.665 8.705 1.00 0.00 C ATOM 1034 O SER A 66 3.050 11.382 9.235 1.00 0.00 O ATOM 1035 CB SER A 66 5.650 9.823 10.282 1.00 0.00 C ATOM 1036 OG SER A 66 5.323 10.869 11.181 1.00 0.00 O ATOM 0 H SER A 66 5.810 8.316 8.289 1.00 0.00 H new ATOM 0 HA SER A 66 3.672 9.035 10.076 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.993 8.953 10.841 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.474 10.135 9.640 1.00 0.00 H new ATOM 0 HG SER A 66 6.110 11.095 11.720 1.00 0.00 H new ATOM 1042 N GLU A 67 4.394 10.899 7.492 1.00 0.00 N ATOM 1043 CA GLU A 67 3.941 12.018 6.688 1.00 0.00 C ATOM 1044 C GLU A 67 2.535 11.730 6.198 1.00 0.00 C ATOM 1045 O GLU A 67 1.723 12.632 5.987 1.00 0.00 O ATOM 1046 CB GLU A 67 4.873 12.198 5.495 1.00 0.00 C ATOM 1047 CG GLU A 67 6.287 12.593 5.878 1.00 0.00 C ATOM 1048 CD GLU A 67 6.557 14.071 5.680 1.00 0.00 C ATOM 1049 OE1 GLU A 67 6.934 14.460 4.554 1.00 0.00 O ATOM 1050 OE2 GLU A 67 6.392 14.840 6.650 1.00 0.00 O ATOM 0 H GLU A 67 5.111 10.324 7.049 1.00 0.00 H new ATOM 0 HA GLU A 67 3.945 12.930 7.284 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.906 11.268 4.928 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.459 12.959 4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.462 12.333 6.922 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.995 12.016 5.283 1.00 0.00 H new ATOM 1057 N ILE A 68 2.276 10.444 6.024 1.00 0.00 N ATOM 1058 CA ILE A 68 0.998 9.948 5.562 1.00 0.00 C ATOM 1059 C ILE A 68 -0.111 10.237 6.562 1.00 0.00 C ATOM 1060 O ILE A 68 -1.134 10.806 6.202 1.00 0.00 O ATOM 1061 CB ILE A 68 1.121 8.438 5.282 1.00 0.00 C ATOM 1062 CG1 ILE A 68 1.654 8.221 3.872 1.00 0.00 C ATOM 1063 CG2 ILE A 68 -0.201 7.703 5.465 1.00 0.00 C ATOM 1064 CD1 ILE A 68 2.725 9.201 3.474 1.00 0.00 C ATOM 0 H ILE A 68 2.960 9.709 6.203 1.00 0.00 H new ATOM 0 HA ILE A 68 0.727 10.466 4.642 1.00 0.00 H new ATOM 0 HB ILE A 68 1.818 8.024 6.010 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.052 7.209 3.795 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.827 8.293 3.165 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.060 6.643 5.256 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.547 7.827 6.491 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.943 8.112 4.779 1.00 0.00 H new ATOM 0 HD11 ILE A 68 3.056 8.985 2.458 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.326 10.214 3.518 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.570 9.114 4.157 1.00 0.00 H new ATOM 1076 N GLN A 69 0.091 9.864 7.820 1.00 0.00 N ATOM 1077 CA GLN A 69 -0.937 10.094 8.828 1.00 0.00 C ATOM 1078 C GLN A 69 -1.176 11.586 9.044 1.00 0.00 C ATOM 1079 O GLN A 69 -2.134 11.979 9.710 1.00 0.00 O ATOM 1080 CB GLN A 69 -0.572 9.414 10.142 1.00 0.00 C ATOM 1081 CG GLN A 69 -0.173 7.958 9.980 1.00 0.00 C ATOM 1082 CD GLN A 69 0.088 7.277 11.306 1.00 0.00 C ATOM 1083 OE1 GLN A 69 -0.546 7.589 12.315 1.00 0.00 O ATOM 1084 NE2 GLN A 69 1.034 6.350 11.314 1.00 0.00 N ATOM 0 H GLN A 69 0.938 9.410 8.162 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.864 9.655 8.460 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.250 9.958 10.607 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.421 9.476 10.822 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.963 7.425 9.451 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.722 7.897 9.361 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.534 6.124 10.454 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.263 5.862 12.180 1.00 0.00 H new ATOM 1093 N SER A 70 -0.302 12.412 8.477 1.00 0.00 N ATOM 1094 CA SER A 70 -0.429 13.859 8.599 1.00 0.00 C ATOM 1095 C SER A 70 -1.168 14.438 7.393 1.00 0.00 C ATOM 1096 O SER A 70 -1.203 15.652 7.194 1.00 0.00 O ATOM 1097 CB SER A 70 0.953 14.506 8.728 1.00 0.00 C ATOM 1098 OG SER A 70 0.846 15.907 8.907 1.00 0.00 O ATOM 0 H SER A 70 0.501 12.104 7.929 1.00 0.00 H new ATOM 0 HA SER A 70 -1.006 14.077 9.498 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.485 14.068 9.572 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.542 14.294 7.835 1.00 0.00 H new ATOM 0 HG SER A 70 0.103 16.250 8.367 1.00 0.00 H new ATOM 1104 N ASP A 71 -1.761 13.553 6.593 1.00 0.00 N ATOM 1105 CA ASP A 71 -2.504 13.963 5.402 1.00 0.00 C ATOM 1106 C ASP A 71 -3.997 14.101 5.716 1.00 0.00 C ATOM 1107 O ASP A 71 -4.522 13.392 6.576 1.00 0.00 O ATOM 1108 CB ASP A 71 -2.287 12.949 4.276 1.00 0.00 C ATOM 1109 CG ASP A 71 -1.608 13.563 3.068 1.00 0.00 C ATOM 1110 OD1 ASP A 71 -2.316 14.131 2.211 1.00 0.00 O ATOM 1111 OD2 ASP A 71 -0.364 13.474 2.977 1.00 0.00 O ATOM 0 H ASP A 71 -1.741 12.545 6.748 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.134 14.936 5.078 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.683 12.122 4.648 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.248 12.532 3.976 1.00 0.00 H new ATOM 1116 N PRO A 72 -4.702 15.018 5.020 1.00 0.00 N ATOM 1117 CA PRO A 72 -6.129 15.260 5.243 1.00 0.00 C ATOM 1118 C PRO A 72 -7.049 14.339 4.439 1.00 0.00 C ATOM 1119 O PRO A 72 -8.173 14.068 4.860 1.00 0.00 O ATOM 1120 CB PRO A 72 -6.285 16.705 4.780 1.00 0.00 C ATOM 1121 CG PRO A 72 -5.298 16.852 3.669 1.00 0.00 C ATOM 1122 CD PRO A 72 -4.163 15.902 3.968 1.00 0.00 C ATOM 0 HA PRO A 72 -6.415 15.070 6.278 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.300 16.904 4.437 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.078 17.405 5.589 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.758 16.616 2.709 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.937 17.878 3.605 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.872 15.337 3.082 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.276 16.435 4.311 1.00 0.00 H new ATOM 1130 N ARG A 73 -6.581 13.871 3.282 1.00 0.00 N ATOM 1131 CA ARG A 73 -7.383 12.988 2.435 1.00 0.00 C ATOM 1132 C ARG A 73 -7.915 11.794 3.225 1.00 0.00 C ATOM 1133 O ARG A 73 -9.048 11.819 3.705 1.00 0.00 O ATOM 1134 CB ARG A 73 -6.564 12.508 1.239 1.00 0.00 C ATOM 1135 CG ARG A 73 -7.280 11.477 0.383 1.00 0.00 C ATOM 1136 CD ARG A 73 -6.690 11.416 -1.013 1.00 0.00 C ATOM 1137 NE ARG A 73 -6.657 12.732 -1.643 1.00 0.00 N ATOM 1138 CZ ARG A 73 -5.775 13.090 -2.570 1.00 0.00 C ATOM 1139 NH1 ARG A 73 -4.845 12.236 -2.973 1.00 0.00 N ATOM 1140 NH2 ARG A 73 -5.822 14.308 -3.093 1.00 0.00 N ATOM 0 H ARG A 73 -5.656 14.087 2.911 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.237 13.559 2.072 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.306 13.366 0.619 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.628 12.082 1.599 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -7.208 10.497 0.854 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.340 11.724 0.322 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.679 11.011 -0.964 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -7.277 10.733 -1.627 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.354 13.419 -1.354 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.804 11.299 -2.571 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.170 12.515 -3.685 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.535 14.969 -2.783 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.145 14.584 -3.805 1.00 0.00 H new ATOM 1154 N HIS A 74 -7.101 10.747 3.347 1.00 0.00 N ATOM 1155 CA HIS A 74 -7.499 9.561 4.096 1.00 0.00 C ATOM 1156 C HIS A 74 -7.685 9.915 5.572 1.00 0.00 C ATOM 1157 O HIS A 74 -7.928 11.075 5.903 1.00 0.00 O ATOM 1158 CB HIS A 74 -6.455 8.460 3.938 1.00 0.00 C ATOM 1159 CG HIS A 74 -5.060 8.911 4.220 1.00 0.00 C ATOM 1160 ND1 HIS A 74 -3.959 8.392 3.580 1.00 0.00 N ATOM 1161 CD2 HIS A 74 -4.589 9.846 5.077 1.00 0.00 C ATOM 1162 CE1 HIS A 74 -2.873 8.989 4.029 1.00 0.00 C ATOM 1163 NE2 HIS A 74 -3.229 9.876 4.937 1.00 0.00 N ATOM 0 H HIS A 74 -6.168 10.697 2.939 1.00 0.00 H new ATOM 0 HA HIS A 74 -8.447 9.195 3.701 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -6.704 7.637 4.608 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -6.503 8.069 2.922 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -5.178 10.455 5.747 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -1.862 8.786 3.707 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -2.593 10.486 5.452 1.00 0.00 H new ATOM 1172 N ARG A 75 -7.566 8.934 6.466 1.00 0.00 N ATOM 1173 CA ARG A 75 -7.739 9.222 7.887 1.00 0.00 C ATOM 1174 C ARG A 75 -7.225 8.109 8.808 1.00 0.00 C ATOM 1175 O ARG A 75 -6.340 8.338 9.631 1.00 0.00 O ATOM 1176 CB ARG A 75 -9.218 9.479 8.168 1.00 0.00 C ATOM 1177 CG ARG A 75 -10.136 8.494 7.474 1.00 0.00 C ATOM 1178 CD ARG A 75 -11.513 9.082 7.225 1.00 0.00 C ATOM 1179 NE ARG A 75 -12.570 8.243 7.784 1.00 0.00 N ATOM 1180 CZ ARG A 75 -13.838 8.628 7.896 1.00 0.00 C ATOM 1181 NH1 ARG A 75 -14.207 9.836 7.493 1.00 0.00 N ATOM 1182 NH2 ARG A 75 -14.738 7.803 8.414 1.00 0.00 N ATOM 0 H ARG A 75 -7.357 7.961 6.241 1.00 0.00 H new ATOM 0 HA ARG A 75 -7.138 10.104 8.107 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.391 9.432 9.243 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.472 10.490 7.849 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.693 8.192 6.525 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.230 7.595 8.083 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.568 10.078 7.665 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.670 9.198 6.153 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.321 7.308 8.107 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.517 10.474 7.095 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.181 10.128 7.581 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.458 6.873 8.726 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -15.711 8.098 8.500 1.00 0.00 H new ATOM 1196 N ASP A 76 -7.783 6.913 8.667 1.00 0.00 N ATOM 1197 CA ASP A 76 -7.423 5.786 9.531 1.00 0.00 C ATOM 1198 C ASP A 76 -6.172 5.040 9.090 1.00 0.00 C ATOM 1199 O ASP A 76 -6.145 3.808 9.101 1.00 0.00 O ATOM 1200 CB ASP A 76 -8.589 4.814 9.605 1.00 0.00 C ATOM 1201 CG ASP A 76 -8.460 3.825 10.748 1.00 0.00 C ATOM 1202 OD1 ASP A 76 -8.684 4.227 11.909 1.00 0.00 O ATOM 1203 OD2 ASP A 76 -8.140 2.648 10.481 1.00 0.00 O ATOM 0 H ASP A 76 -8.488 6.694 7.963 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.198 6.211 10.509 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.517 5.375 9.719 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.661 4.268 8.665 1.00 0.00 H new ATOM 1208 N VAL A 77 -5.139 5.767 8.714 1.00 0.00 N ATOM 1209 CA VAL A 77 -3.892 5.127 8.314 1.00 0.00 C ATOM 1210 C VAL A 77 -3.246 4.482 9.525 1.00 0.00 C ATOM 1211 O VAL A 77 -2.776 5.155 10.443 1.00 0.00 O ATOM 1212 CB VAL A 77 -2.915 6.103 7.637 1.00 0.00 C ATOM 1213 CG1 VAL A 77 -3.080 7.485 8.208 1.00 0.00 C ATOM 1214 CG2 VAL A 77 -1.481 5.630 7.753 1.00 0.00 C ATOM 0 H VAL A 77 -5.132 6.786 8.675 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.133 4.366 7.572 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.154 6.137 6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.383 8.166 7.720 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.101 7.829 8.040 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.877 7.463 9.279 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.821 6.346 7.263 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.209 5.547 8.805 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.379 4.656 7.274 1.00 0.00 H new ATOM 1224 N VAL A 78 -3.241 3.167 9.505 1.00 0.00 N ATOM 1225 CA VAL A 78 -2.693 2.373 10.584 1.00 0.00 C ATOM 1226 C VAL A 78 -1.604 1.432 10.075 1.00 0.00 C ATOM 1227 O VAL A 78 -1.743 0.822 9.018 1.00 0.00 O ATOM 1228 CB VAL A 78 -3.818 1.568 11.251 1.00 0.00 C ATOM 1229 CG1 VAL A 78 -4.656 0.849 10.204 1.00 0.00 C ATOM 1230 CG2 VAL A 78 -3.257 0.600 12.277 1.00 0.00 C ATOM 0 H VAL A 78 -3.619 2.615 8.735 1.00 0.00 H new ATOM 0 HA VAL A 78 -2.242 3.044 11.315 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.471 2.262 11.780 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.448 0.284 10.697 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.099 1.580 9.528 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.023 0.167 9.637 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.073 0.042 12.735 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.573 -0.093 11.787 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.721 1.156 13.046 1.00 0.00 H new ATOM 1240 N GLU A 79 -0.519 1.325 10.838 1.00 0.00 N ATOM 1241 CA GLU A 79 0.601 0.468 10.462 1.00 0.00 C ATOM 1242 C GLU A 79 0.191 -1.002 10.458 1.00 0.00 C ATOM 1243 O GLU A 79 -0.057 -1.597 11.506 1.00 0.00 O ATOM 1244 CB GLU A 79 1.768 0.673 11.423 1.00 0.00 C ATOM 1245 CG GLU A 79 3.097 0.183 10.875 1.00 0.00 C ATOM 1246 CD GLU A 79 4.242 0.390 11.846 1.00 0.00 C ATOM 1247 OE1 GLU A 79 4.797 1.508 11.877 1.00 0.00 O ATOM 1248 OE2 GLU A 79 4.583 -0.566 12.575 1.00 0.00 O ATOM 0 H GLU A 79 -0.392 1.821 11.720 1.00 0.00 H new ATOM 0 HA GLU A 79 0.910 0.743 9.454 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.851 1.734 11.661 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.555 0.153 12.357 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.017 -0.877 10.634 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.316 0.706 9.944 1.00 0.00 H new ATOM 1255 N LEU A 80 0.127 -1.572 9.264 1.00 0.00 N ATOM 1256 CA LEU A 80 -0.238 -2.972 9.083 1.00 0.00 C ATOM 1257 C LEU A 80 0.988 -3.874 9.180 1.00 0.00 C ATOM 1258 O LEU A 80 0.905 -4.999 9.672 1.00 0.00 O ATOM 1259 CB LEU A 80 -0.900 -3.157 7.716 1.00 0.00 C ATOM 1260 CG LEU A 80 -2.427 -3.073 7.697 1.00 0.00 C ATOM 1261 CD1 LEU A 80 -2.907 -1.805 8.383 1.00 0.00 C ATOM 1262 CD2 LEU A 80 -2.929 -3.116 6.263 1.00 0.00 C ATOM 0 H LEU A 80 0.326 -1.079 8.393 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.935 -3.250 9.874 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.505 -2.401 7.037 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.604 -4.128 7.319 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.828 -3.927 8.242 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.996 -1.767 8.357 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.568 -1.801 9.419 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.501 -0.936 7.866 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.017 -3.056 6.257 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.516 -2.274 5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.614 -4.049 5.795 1.00 0.00 H new ATOM 1274 N MET A 81 2.123 -3.371 8.704 1.00 0.00 N ATOM 1275 CA MET A 81 3.358 -4.133 8.721 1.00 0.00 C ATOM 1276 C MET A 81 4.589 -3.264 8.752 1.00 0.00 C ATOM 1277 O MET A 81 4.530 -2.041 8.616 1.00 0.00 O ATOM 1278 CB MET A 81 3.452 -5.044 7.529 1.00 0.00 C ATOM 1279 CG MET A 81 4.138 -6.342 7.882 1.00 0.00 C ATOM 1280 SD MET A 81 5.802 -6.498 7.209 1.00 0.00 S ATOM 1281 CE MET A 81 5.526 -6.071 5.500 1.00 0.00 C ATOM 0 H MET A 81 2.209 -2.437 8.302 1.00 0.00 H new ATOM 0 HA MET A 81 3.325 -4.715 9.642 1.00 0.00 H new ATOM 0 HB2 MET A 81 2.452 -5.251 7.147 1.00 0.00 H new ATOM 0 HB3 MET A 81 4.001 -4.546 6.730 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.186 -6.432 8.967 1.00 0.00 H new ATOM 0 HG3 MET A 81 3.531 -7.172 7.520 1.00 0.00 H new ATOM 0 HE1 MET A 81 6.388 -6.374 4.905 1.00 0.00 H new ATOM 0 HE2 MET A 81 4.636 -6.584 5.136 1.00 0.00 H new ATOM 0 HE3 MET A 81 5.386 -4.994 5.412 1.00 0.00 H new ATOM 1291 N ARG A 82 5.704 -3.949 8.927 1.00 0.00 N ATOM 1292 CA ARG A 82 7.016 -3.343 8.978 1.00 0.00 C ATOM 1293 C ARG A 82 8.034 -4.401 9.356 1.00 0.00 C ATOM 1294 O ARG A 82 8.357 -4.600 10.528 1.00 0.00 O ATOM 1295 CB ARG A 82 7.070 -2.188 9.956 1.00 0.00 C ATOM 1296 CG ARG A 82 8.375 -1.425 9.901 1.00 0.00 C ATOM 1297 CD ARG A 82 8.415 -0.325 10.950 1.00 0.00 C ATOM 1298 NE ARG A 82 7.856 0.930 10.469 1.00 0.00 N ATOM 1299 CZ ARG A 82 7.707 2.008 11.237 1.00 0.00 C ATOM 1300 NH1 ARG A 82 8.060 1.967 12.516 1.00 0.00 N ATOM 1301 NH2 ARG A 82 7.208 3.128 10.733 1.00 0.00 N ATOM 0 H ARG A 82 5.720 -4.963 9.040 1.00 0.00 H new ATOM 0 HA ARG A 82 7.245 -2.937 7.993 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.247 -1.504 9.747 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.920 -2.568 10.967 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.207 -2.111 10.058 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.503 -0.990 8.910 1.00 0.00 H new ATOM 0 HD2 ARG A 82 7.863 -0.649 11.832 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.447 -0.163 11.261 1.00 0.00 H new ATOM 0 HE ARG A 82 7.563 0.987 9.494 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.446 1.109 12.911 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.946 2.793 13.103 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.935 3.168 9.751 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.097 3.950 11.327 1.00 0.00 H new ATOM 1315 N ASP A 83 8.525 -5.069 8.338 1.00 0.00 N ATOM 1316 CA ASP A 83 9.485 -6.157 8.499 1.00 0.00 C ATOM 1317 C ASP A 83 10.773 -5.892 7.731 1.00 0.00 C ATOM 1318 O ASP A 83 10.770 -5.219 6.707 1.00 0.00 O ATOM 1319 CB ASP A 83 8.869 -7.462 7.999 1.00 0.00 C ATOM 1320 CG ASP A 83 9.662 -8.682 8.424 1.00 0.00 C ATOM 1321 OD1 ASP A 83 10.579 -9.085 7.676 1.00 0.00 O ATOM 1322 OD2 ASP A 83 9.366 -9.236 9.504 1.00 0.00 O ATOM 0 H ASP A 83 8.274 -4.879 7.368 1.00 0.00 H new ATOM 0 HA ASP A 83 9.727 -6.230 9.559 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.850 -7.546 8.376 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.805 -7.436 6.911 1.00 0.00 H new ATOM 1327 N TYR A 84 11.872 -6.443 8.228 1.00 0.00 N ATOM 1328 CA TYR A 84 13.165 -6.276 7.583 1.00 0.00 C ATOM 1329 C TYR A 84 13.225 -7.039 6.262 1.00 0.00 C ATOM 1330 O TYR A 84 12.705 -8.149 6.150 1.00 0.00 O ATOM 1331 CB TYR A 84 14.270 -6.754 8.514 1.00 0.00 C ATOM 1332 CG TYR A 84 14.487 -5.812 9.664 1.00 0.00 C ATOM 1333 CD1 TYR A 84 14.764 -4.477 9.426 1.00 0.00 C ATOM 1334 CD2 TYR A 84 14.402 -6.245 10.978 1.00 0.00 C ATOM 1335 CE1 TYR A 84 14.954 -3.596 10.458 1.00 0.00 C ATOM 1336 CE2 TYR A 84 14.594 -5.366 12.027 1.00 0.00 C ATOM 1337 CZ TYR A 84 14.871 -4.040 11.761 1.00 0.00 C ATOM 1338 OH TYR A 84 15.062 -3.157 12.800 1.00 0.00 O ATOM 0 H TYR A 84 11.893 -7.009 9.076 1.00 0.00 H new ATOM 0 HA TYR A 84 13.306 -5.217 7.366 1.00 0.00 H new ATOM 0 HB2 TYR A 84 14.017 -7.742 8.898 1.00 0.00 H new ATOM 0 HB3 TYR A 84 15.198 -6.858 7.951 1.00 0.00 H new ATOM 0 HD1 TYR A 84 14.832 -4.123 8.408 1.00 0.00 H new ATOM 0 HD2 TYR A 84 14.183 -7.282 11.185 1.00 0.00 H new ATOM 0 HE1 TYR A 84 15.168 -2.558 10.252 1.00 0.00 H new ATOM 0 HE2 TYR A 84 14.528 -5.714 13.047 1.00 0.00 H new ATOM 0 HH TYR A 84 14.426 -2.416 12.720 1.00 0.00 H new ATOM 1348 N SER A 85 13.866 -6.435 5.267 1.00 0.00 N ATOM 1349 CA SER A 85 13.999 -7.051 3.951 1.00 0.00 C ATOM 1350 C SER A 85 15.412 -6.879 3.416 1.00 0.00 C ATOM 1351 O SER A 85 16.265 -6.278 4.071 1.00 0.00 O ATOM 1352 CB SER A 85 12.987 -6.449 2.975 1.00 0.00 C ATOM 1353 OG SER A 85 11.659 -6.703 3.397 1.00 0.00 O ATOM 0 H SER A 85 14.303 -5.517 5.347 1.00 0.00 H new ATOM 0 HA SER A 85 13.797 -8.117 4.052 1.00 0.00 H new ATOM 0 HB2 SER A 85 13.148 -5.374 2.897 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.142 -6.868 1.981 1.00 0.00 H new ATOM 0 HG SER A 85 11.061 -6.021 3.025 1.00 0.00 H new ATOM 1359 N ALA A 86 15.654 -7.408 2.224 1.00 0.00 N ATOM 1360 CA ALA A 86 16.975 -7.334 1.621 1.00 0.00 C ATOM 1361 C ALA A 86 16.936 -6.881 0.164 1.00 0.00 C ATOM 1362 O ALA A 86 17.983 -6.719 -0.463 1.00 0.00 O ATOM 1363 CB ALA A 86 17.647 -8.688 1.733 1.00 0.00 C ATOM 0 H ALA A 86 14.955 -7.891 1.659 1.00 0.00 H new ATOM 0 HA ALA A 86 17.546 -6.581 2.163 1.00 0.00 H new ATOM 0 HB1 ALA A 86 18.639 -8.640 1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 86 17.738 -8.963 2.784 1.00 0.00 H new ATOM 0 HB3 ALA A 86 17.048 -9.436 1.213 1.00 0.00 H new ATOM 1369 N TYR A 87 15.739 -6.676 -0.379 1.00 0.00 N ATOM 1370 CA TYR A 87 15.611 -6.247 -1.768 1.00 0.00 C ATOM 1371 C TYR A 87 14.215 -5.713 -2.074 1.00 0.00 C ATOM 1372 O TYR A 87 13.217 -6.187 -1.530 1.00 0.00 O ATOM 1373 CB TYR A 87 15.958 -7.400 -2.718 1.00 0.00 C ATOM 1374 CG TYR A 87 15.312 -8.720 -2.359 1.00 0.00 C ATOM 1375 CD1 TYR A 87 15.824 -9.512 -1.339 1.00 0.00 C ATOM 1376 CD2 TYR A 87 14.200 -9.181 -3.050 1.00 0.00 C ATOM 1377 CE1 TYR A 87 15.245 -10.725 -1.018 1.00 0.00 C ATOM 1378 CE2 TYR A 87 13.612 -10.391 -2.735 1.00 0.00 C ATOM 1379 CZ TYR A 87 14.140 -11.160 -1.718 1.00 0.00 C ATOM 1380 OH TYR A 87 13.565 -12.368 -1.400 1.00 0.00 O ATOM 0 H TYR A 87 14.855 -6.798 0.114 1.00 0.00 H new ATOM 0 HA TYR A 87 16.316 -5.431 -1.923 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.657 -7.125 -3.729 1.00 0.00 H new ATOM 0 HB3 TYR A 87 17.040 -7.531 -2.732 1.00 0.00 H new ATOM 0 HD1 TYR A 87 16.689 -9.174 -0.788 1.00 0.00 H new ATOM 0 HD2 TYR A 87 13.787 -8.583 -3.849 1.00 0.00 H new ATOM 0 HE1 TYR A 87 15.656 -11.329 -0.223 1.00 0.00 H new ATOM 0 HE2 TYR A 87 12.745 -10.733 -3.281 1.00 0.00 H new ATOM 0 HH TYR A 87 12.795 -12.528 -1.985 1.00 0.00 H new ATOM 1390 N ARG A 88 14.165 -4.716 -2.955 1.00 0.00 N ATOM 1391 CA ARG A 88 12.909 -4.089 -3.358 1.00 0.00 C ATOM 1392 C ARG A 88 12.182 -4.936 -4.399 1.00 0.00 C ATOM 1393 O ARG A 88 12.804 -5.476 -5.313 1.00 0.00 O ATOM 1394 CB ARG A 88 13.189 -2.699 -3.936 1.00 0.00 C ATOM 1395 CG ARG A 88 13.696 -1.697 -2.917 1.00 0.00 C ATOM 1396 CD ARG A 88 14.139 -0.402 -3.580 1.00 0.00 C ATOM 1397 NE ARG A 88 14.863 0.465 -2.654 1.00 0.00 N ATOM 1398 CZ ARG A 88 15.930 1.183 -2.995 1.00 0.00 C ATOM 1399 NH1 ARG A 88 16.395 1.139 -4.236 1.00 0.00 N ATOM 1400 NH2 ARG A 88 16.535 1.943 -2.093 1.00 0.00 N ATOM 0 H ARG A 88 14.990 -4.322 -3.407 1.00 0.00 H new ATOM 0 HA ARG A 88 12.272 -4.003 -2.477 1.00 0.00 H new ATOM 0 HB2 ARG A 88 13.923 -2.791 -4.736 1.00 0.00 H new ATOM 0 HB3 ARG A 88 12.274 -2.313 -4.386 1.00 0.00 H new ATOM 0 HG2 ARG A 88 12.910 -1.485 -2.192 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.531 -2.129 -2.365 1.00 0.00 H new ATOM 0 HD2 ARG A 88 14.775 -0.631 -4.435 1.00 0.00 H new ATOM 0 HD3 ARG A 88 13.266 0.126 -3.964 1.00 0.00 H new ATOM 0 HE ARG A 88 14.532 0.523 -1.691 1.00 0.00 H new ATOM 0 HH11 ARG A 88 15.934 0.553 -4.933 1.00 0.00 H new ATOM 0 HH12 ARG A 88 17.213 1.691 -4.494 1.00 0.00 H new ATOM 0 HH21 ARG A 88 16.183 1.978 -1.136 1.00 0.00 H new ATOM 0 HH22 ARG A 88 17.353 2.493 -2.356 1.00 0.00 H new ATOM 1414 N ARG A 89 10.862 -5.044 -4.259 1.00 0.00 N ATOM 1415 CA ARG A 89 10.058 -5.822 -5.196 1.00 0.00 C ATOM 1416 C ARG A 89 9.401 -4.916 -6.234 1.00 0.00 C ATOM 1417 O ARG A 89 9.067 -5.357 -7.333 1.00 0.00 O ATOM 1418 CB ARG A 89 8.992 -6.635 -4.450 1.00 0.00 C ATOM 1419 CG ARG A 89 9.559 -7.681 -3.496 1.00 0.00 C ATOM 1420 CD ARG A 89 10.401 -8.720 -4.225 1.00 0.00 C ATOM 1421 NE ARG A 89 11.702 -8.186 -4.617 1.00 0.00 N ATOM 1422 CZ ARG A 89 12.319 -8.492 -5.758 1.00 0.00 C ATOM 1423 NH1 ARG A 89 11.745 -9.307 -6.630 1.00 0.00 N ATOM 1424 NH2 ARG A 89 13.510 -7.974 -6.028 1.00 0.00 N ATOM 0 H ARG A 89 10.329 -4.604 -3.509 1.00 0.00 H new ATOM 0 HA ARG A 89 10.723 -6.513 -5.715 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.358 -5.951 -3.886 1.00 0.00 H new ATOM 0 HB3 ARG A 89 8.354 -7.133 -5.180 1.00 0.00 H new ATOM 0 HG2 ARG A 89 10.167 -7.188 -2.738 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.741 -8.178 -2.975 1.00 0.00 H new ATOM 0 HD2 ARG A 89 10.543 -9.588 -3.582 1.00 0.00 H new ATOM 0 HD3 ARG A 89 9.867 -9.064 -5.111 1.00 0.00 H new ATOM 0 HE ARG A 89 12.167 -7.540 -3.979 1.00 0.00 H new ATOM 0 HH11 ARG A 89 10.827 -9.703 -6.430 1.00 0.00 H new ATOM 0 HH12 ARG A 89 12.221 -9.538 -7.502 1.00 0.00 H new ATOM 0 HH21 ARG A 89 13.954 -7.341 -5.362 1.00 0.00 H new ATOM 0 HH22 ARG A 89 13.982 -8.208 -6.901 1.00 0.00 H new ATOM 1438 N PHE A 90 9.219 -3.647 -5.877 1.00 0.00 N ATOM 1439 CA PHE A 90 8.613 -2.673 -6.781 1.00 0.00 C ATOM 1440 C PHE A 90 9.651 -1.639 -7.217 1.00 0.00 C ATOM 1441 O PHE A 90 9.328 -0.468 -7.416 1.00 0.00 O ATOM 1442 CB PHE A 90 7.438 -1.964 -6.100 1.00 0.00 C ATOM 1443 CG PHE A 90 6.448 -2.895 -5.455 1.00 0.00 C ATOM 1444 CD1 PHE A 90 5.428 -3.473 -6.194 1.00 0.00 C ATOM 1445 CD2 PHE A 90 6.536 -3.181 -4.103 1.00 0.00 C ATOM 1446 CE1 PHE A 90 4.512 -4.320 -5.595 1.00 0.00 C ATOM 1447 CE2 PHE A 90 5.624 -4.030 -3.499 1.00 0.00 C ATOM 1448 CZ PHE A 90 4.612 -4.599 -4.246 1.00 0.00 C ATOM 0 H PHE A 90 9.483 -3.269 -4.967 1.00 0.00 H new ATOM 0 HA PHE A 90 8.245 -3.205 -7.658 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.828 -1.284 -5.342 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.918 -1.354 -6.839 1.00 0.00 H new ATOM 0 HD1 PHE A 90 5.347 -3.260 -7.250 1.00 0.00 H new ATOM 0 HD2 PHE A 90 7.324 -2.737 -3.513 1.00 0.00 H new ATOM 0 HE1 PHE A 90 3.720 -4.762 -6.181 1.00 0.00 H new ATOM 0 HE2 PHE A 90 5.704 -4.247 -2.444 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.900 -5.261 -3.776 1.00 0.00 H new ATOM 1458 N HIS A 91 10.894 -2.093 -7.366 1.00 0.00 N ATOM 1459 CA HIS A 91 12.009 -1.227 -7.755 1.00 0.00 C ATOM 1460 C HIS A 91 11.623 -0.223 -8.840 1.00 0.00 C ATOM 1461 O HIS A 91 11.560 0.980 -8.589 1.00 0.00 O ATOM 1462 CB HIS A 91 13.189 -2.073 -8.239 1.00 0.00 C ATOM 1463 CG HIS A 91 14.361 -1.259 -8.701 1.00 0.00 C ATOM 1464 ND1 HIS A 91 14.671 -1.073 -10.031 1.00 0.00 N ATOM 1465 CD2 HIS A 91 15.300 -0.581 -7.999 1.00 0.00 C ATOM 1466 CE1 HIS A 91 15.749 -0.317 -10.128 1.00 0.00 C ATOM 1467 NE2 HIS A 91 16.149 -0.003 -8.910 1.00 0.00 N ATOM 0 H HIS A 91 11.158 -3.068 -7.221 1.00 0.00 H new ATOM 0 HA HIS A 91 12.292 -0.660 -6.869 1.00 0.00 H new ATOM 0 HB2 HIS A 91 13.510 -2.730 -7.431 1.00 0.00 H new ATOM 0 HB3 HIS A 91 12.856 -2.712 -9.057 1.00 0.00 H new ATOM 0 HD2 HIS A 91 15.368 -0.509 -6.924 1.00 0.00 H new ATOM 0 HE1 HIS A 91 16.223 -0.008 -11.048 1.00 0.00 H new ATOM 0 HE2 HIS A 91 16.958 0.575 -8.682 1.00 0.00 H new ATOM 1476 N GLY A 92 11.373 -0.722 -10.046 1.00 0.00 N ATOM 1477 CA GLY A 92 11.023 0.153 -11.151 1.00 0.00 C ATOM 1478 C GLY A 92 9.574 0.600 -11.136 1.00 0.00 C ATOM 1479 O GLY A 92 8.859 0.421 -12.122 1.00 0.00 O ATOM 0 H GLY A 92 11.406 -1.715 -10.278 1.00 0.00 H new ATOM 0 HA2 GLY A 92 11.666 1.033 -11.125 1.00 0.00 H new ATOM 0 HA3 GLY A 92 11.226 -0.362 -12.090 1.00 0.00 H new ATOM 1483 N THR A 93 9.136 1.187 -10.024 1.00 0.00 N ATOM 1484 CA THR A 93 7.762 1.666 -9.914 1.00 0.00 C ATOM 1485 C THR A 93 7.614 2.695 -8.813 1.00 0.00 C ATOM 1486 O THR A 93 6.867 3.661 -8.942 1.00 0.00 O ATOM 1487 CB THR A 93 6.767 0.512 -9.670 1.00 0.00 C ATOM 1488 OG1 THR A 93 6.855 -0.447 -10.730 1.00 0.00 O ATOM 1489 CG2 THR A 93 5.339 1.034 -9.573 1.00 0.00 C ATOM 0 H THR A 93 9.708 1.341 -9.194 1.00 0.00 H new ATOM 0 HA THR A 93 7.527 2.134 -10.870 1.00 0.00 H new ATOM 0 HB THR A 93 7.029 0.036 -8.725 1.00 0.00 H new ATOM 0 HG1 THR A 93 7.297 -0.040 -11.504 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.658 0.201 -9.401 1.00 0.00 H new ATOM 0 HG22 THR A 93 5.265 1.740 -8.746 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.071 1.536 -10.503 1.00 0.00 H new ATOM 1497 N GLY A 94 8.364 2.480 -7.757 1.00 0.00 N ATOM 1498 CA GLY A 94 8.333 3.359 -6.597 1.00 0.00 C ATOM 1499 C GLY A 94 6.986 3.340 -5.895 1.00 0.00 C ATOM 1500 O GLY A 94 6.871 2.860 -4.769 1.00 0.00 O ATOM 0 H GLY A 94 9.012 1.697 -7.672 1.00 0.00 H new ATOM 0 HA2 GLY A 94 9.110 3.058 -5.895 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.563 4.378 -6.910 1.00 0.00 H new ATOM 1504 N MET A 95 5.974 3.876 -6.562 1.00 0.00 N ATOM 1505 CA MET A 95 4.621 3.917 -6.022 1.00 0.00 C ATOM 1506 C MET A 95 3.600 3.827 -7.152 1.00 0.00 C ATOM 1507 O MET A 95 3.756 4.468 -8.191 1.00 0.00 O ATOM 1508 CB MET A 95 4.402 5.198 -5.218 1.00 0.00 C ATOM 1509 CG MET A 95 3.010 5.304 -4.623 1.00 0.00 C ATOM 1510 SD MET A 95 2.576 3.877 -3.610 1.00 0.00 S ATOM 1511 CE MET A 95 3.707 4.079 -2.237 1.00 0.00 C ATOM 0 H MET A 95 6.066 4.293 -7.488 1.00 0.00 H new ATOM 0 HA MET A 95 4.489 3.063 -5.357 1.00 0.00 H new ATOM 0 HB2 MET A 95 5.137 5.244 -4.415 1.00 0.00 H new ATOM 0 HB3 MET A 95 4.580 6.058 -5.863 1.00 0.00 H new ATOM 0 HG2 MET A 95 2.946 6.208 -4.017 1.00 0.00 H new ATOM 0 HG3 MET A 95 2.282 5.408 -5.428 1.00 0.00 H new ATOM 0 HE1 MET A 95 3.290 3.603 -1.349 1.00 0.00 H new ATOM 0 HE2 MET A 95 4.663 3.616 -2.482 1.00 0.00 H new ATOM 0 HE3 MET A 95 3.857 5.141 -2.043 1.00 0.00 H new ATOM 1521 N ARG A 96 2.555 3.031 -6.946 1.00 0.00 N ATOM 1522 CA ARG A 96 1.524 2.858 -7.963 1.00 0.00 C ATOM 1523 C ARG A 96 0.190 2.482 -7.336 1.00 0.00 C ATOM 1524 O ARG A 96 -0.004 1.345 -6.925 1.00 0.00 O ATOM 1525 CB ARG A 96 1.941 1.767 -8.943 1.00 0.00 C ATOM 1526 CG ARG A 96 1.760 2.151 -10.400 1.00 0.00 C ATOM 1527 CD ARG A 96 1.531 0.930 -11.274 1.00 0.00 C ATOM 1528 NE ARG A 96 1.558 1.265 -12.695 1.00 0.00 N ATOM 1529 CZ ARG A 96 2.496 0.837 -13.536 1.00 0.00 C ATOM 1530 NH1 ARG A 96 3.475 0.055 -13.102 1.00 0.00 N ATOM 1531 NH2 ARG A 96 2.455 1.193 -14.813 1.00 0.00 N ATOM 0 H ARG A 96 2.400 2.499 -6.090 1.00 0.00 H new ATOM 0 HA ARG A 96 1.408 3.806 -8.487 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.988 1.517 -8.770 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.361 0.867 -8.739 1.00 0.00 H new ATOM 0 HG2 ARG A 96 0.914 2.832 -10.495 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.642 2.688 -10.748 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.296 0.183 -11.062 1.00 0.00 H new ATOM 0 HD3 ARG A 96 0.570 0.480 -11.025 1.00 0.00 H new ATOM 0 HE ARG A 96 0.816 1.860 -13.063 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.511 -0.220 -12.121 1.00 0.00 H new ATOM 0 HH12 ARG A 96 4.192 -0.271 -13.750 1.00 0.00 H new ATOM 0 HH21 ARG A 96 1.704 1.795 -15.151 1.00 0.00 H new ATOM 0 HH22 ARG A 96 3.174 0.865 -15.457 1.00 0.00 H new ATOM 1545 N ILE A 97 -0.735 3.428 -7.284 1.00 0.00 N ATOM 1546 CA ILE A 97 -2.041 3.173 -6.713 1.00 0.00 C ATOM 1547 C ILE A 97 -2.787 2.110 -7.510 1.00 0.00 C ATOM 1548 O ILE A 97 -2.484 1.865 -8.679 1.00 0.00 O ATOM 1549 CB ILE A 97 -2.868 4.468 -6.654 1.00 0.00 C ATOM 1550 CG1 ILE A 97 -3.948 4.370 -5.571 1.00 0.00 C ATOM 1551 CG2 ILE A 97 -3.467 4.788 -8.013 1.00 0.00 C ATOM 1552 CD1 ILE A 97 -5.303 3.903 -6.056 1.00 0.00 C ATOM 0 H ILE A 97 -0.602 4.378 -7.631 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.896 2.803 -5.698 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.205 5.290 -6.386 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.602 3.687 -4.795 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -4.064 5.349 -5.105 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.048 5.708 -7.947 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.667 4.915 -8.742 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.117 3.971 -8.326 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.997 3.867 -5.216 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.679 4.596 -6.808 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.210 2.909 -6.493 1.00 0.00 H new ATOM 1564 N LEU A 98 -3.760 1.486 -6.868 1.00 0.00 N ATOM 1565 CA LEU A 98 -4.555 0.457 -7.499 1.00 0.00 C ATOM 1566 C LEU A 98 -6.035 0.661 -7.232 1.00 0.00 C ATOM 1567 O LEU A 98 -6.570 0.161 -6.242 1.00 0.00 O ATOM 1568 CB LEU A 98 -4.150 -0.937 -7.019 1.00 0.00 C ATOM 1569 CG LEU A 98 -4.482 -2.034 -8.018 1.00 0.00 C ATOM 1570 CD1 LEU A 98 -3.630 -1.843 -9.256 1.00 0.00 C ATOM 1571 CD2 LEU A 98 -4.296 -3.421 -7.422 1.00 0.00 C ATOM 0 H LEU A 98 -4.017 1.680 -5.900 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.370 0.533 -8.570 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.079 -0.948 -6.819 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.652 -1.150 -6.075 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.535 -1.959 -8.288 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.860 -2.625 -9.980 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.840 -0.868 -9.696 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.576 -1.899 -8.984 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.544 -4.174 -8.170 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.259 -3.547 -7.110 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.951 -3.537 -6.559 1.00 0.00 H new ATOM 1583 N ASP A 99 -6.691 1.409 -8.107 1.00 0.00 N ATOM 1584 CA ASP A 99 -8.122 1.639 -7.977 1.00 0.00 C ATOM 1585 C ASP A 99 -8.845 0.312 -8.098 1.00 0.00 C ATOM 1586 O ASP A 99 -9.236 -0.091 -9.192 1.00 0.00 O ATOM 1587 CB ASP A 99 -8.625 2.589 -9.062 1.00 0.00 C ATOM 1588 CG ASP A 99 -9.856 3.365 -8.633 1.00 0.00 C ATOM 1589 OD1 ASP A 99 -10.564 2.896 -7.717 1.00 0.00 O ATOM 1590 OD2 ASP A 99 -10.111 4.440 -9.213 1.00 0.00 O ATOM 0 H ASP A 99 -6.258 1.865 -8.910 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.318 2.093 -7.006 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.831 3.289 -9.323 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.855 2.018 -9.962 1.00 0.00 H new ATOM 1595 N LEU A 100 -9.002 -0.376 -6.977 1.00 0.00 N ATOM 1596 CA LEU A 100 -9.665 -1.666 -6.973 1.00 0.00 C ATOM 1597 C LEU A 100 -11.070 -1.554 -7.544 1.00 0.00 C ATOM 1598 O LEU A 100 -11.660 -2.549 -7.968 1.00 0.00 O ATOM 1599 CB LEU A 100 -9.711 -2.250 -5.556 1.00 0.00 C ATOM 1600 CG LEU A 100 -8.349 -2.424 -4.873 1.00 0.00 C ATOM 1601 CD1 LEU A 100 -8.443 -3.429 -3.728 1.00 0.00 C ATOM 1602 CD2 LEU A 100 -7.301 -2.862 -5.887 1.00 0.00 C ATOM 0 H LEU A 100 -8.679 -0.061 -6.062 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.089 -2.341 -7.606 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.330 -1.603 -4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.205 -3.221 -5.597 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.047 -1.463 -4.456 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.466 -3.537 -3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.163 -3.074 -2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.767 -4.394 -4.117 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.339 -2.981 -5.388 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.599 -3.811 -6.332 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.213 -2.107 -6.668 1.00 0.00 H new ATOM 1614 N ARG A 101 -11.602 -0.337 -7.554 1.00 0.00 N ATOM 1615 CA ARG A 101 -12.928 -0.093 -8.098 1.00 0.00 C ATOM 1616 C ARG A 101 -12.959 -0.501 -9.565 1.00 0.00 C ATOM 1617 O ARG A 101 -14.023 -0.643 -10.166 1.00 0.00 O ATOM 1618 CB ARG A 101 -13.297 1.384 -7.949 1.00 0.00 C ATOM 1619 CG ARG A 101 -13.346 1.855 -6.505 1.00 0.00 C ATOM 1620 CD ARG A 101 -13.744 3.318 -6.410 1.00 0.00 C ATOM 1621 NE ARG A 101 -15.076 3.560 -6.959 1.00 0.00 N ATOM 1622 CZ ARG A 101 -15.730 4.710 -6.827 1.00 0.00 C ATOM 1623 NH1 ARG A 101 -15.177 5.721 -6.167 1.00 0.00 N ATOM 1624 NH2 ARG A 101 -16.938 4.852 -7.354 1.00 0.00 N ATOM 0 H ARG A 101 -11.134 0.494 -7.191 1.00 0.00 H new ATOM 0 HA ARG A 101 -13.657 -0.687 -7.547 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -12.572 1.988 -8.495 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -14.269 1.556 -8.412 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -14.057 1.246 -5.947 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -12.370 1.711 -6.041 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -13.719 3.633 -5.367 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -13.015 3.927 -6.945 1.00 0.00 H new ATOM 0 HE ARG A 101 -15.530 2.804 -7.472 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -14.248 5.617 -5.760 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -15.681 6.602 -6.068 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -17.367 4.078 -7.862 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -17.438 5.735 -7.252 1.00 0.00 H new ATOM 1638 N LEU A 102 -11.768 -0.685 -10.128 1.00 0.00 N ATOM 1639 CA LEU A 102 -11.619 -1.081 -11.517 1.00 0.00 C ATOM 1640 C LEU A 102 -11.512 -2.598 -11.644 1.00 0.00 C ATOM 1641 O LEU A 102 -12.145 -3.201 -12.511 1.00 0.00 O ATOM 1642 CB LEU A 102 -10.369 -0.434 -12.109 1.00 0.00 C ATOM 1643 CG LEU A 102 -10.277 1.085 -11.948 1.00 0.00 C ATOM 1644 CD1 LEU A 102 -8.904 1.577 -12.372 1.00 0.00 C ATOM 1645 CD2 LEU A 102 -11.366 1.778 -12.753 1.00 0.00 C ATOM 0 H LEU A 102 -10.885 -0.563 -9.633 1.00 0.00 H new ATOM 0 HA LEU A 102 -12.502 -0.747 -12.062 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.492 -0.885 -11.644 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.325 -0.673 -13.172 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.424 1.330 -10.896 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.852 2.659 -12.252 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.141 1.107 -11.751 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.732 1.319 -13.417 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.283 2.857 -12.624 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -11.253 1.528 -13.808 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -12.344 1.446 -12.404 1.00 0.00 H new ATOM 1657 N PHE A 103 -10.709 -3.212 -10.776 1.00 0.00 N ATOM 1658 CA PHE A 103 -10.514 -4.657 -10.814 1.00 0.00 C ATOM 1659 C PHE A 103 -11.319 -5.357 -9.726 1.00 0.00 C ATOM 1660 O PHE A 103 -12.369 -4.875 -9.303 1.00 0.00 O ATOM 1661 CB PHE A 103 -9.026 -4.989 -10.659 1.00 0.00 C ATOM 1662 CG PHE A 103 -8.131 -3.839 -10.987 1.00 0.00 C ATOM 1663 CD1 PHE A 103 -7.700 -3.616 -12.283 1.00 0.00 C ATOM 1664 CD2 PHE A 103 -7.728 -2.976 -9.990 1.00 0.00 C ATOM 1665 CE1 PHE A 103 -6.876 -2.546 -12.574 1.00 0.00 C ATOM 1666 CE2 PHE A 103 -6.910 -1.909 -10.272 1.00 0.00 C ATOM 1667 CZ PHE A 103 -6.480 -1.691 -11.565 1.00 0.00 C ATOM 0 H PHE A 103 -10.187 -2.733 -10.043 1.00 0.00 H new ATOM 0 HA PHE A 103 -10.869 -5.018 -11.779 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -8.836 -5.308 -9.634 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -8.778 -5.830 -11.306 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -8.010 -4.284 -13.073 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -8.059 -3.141 -8.975 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -6.543 -2.379 -13.588 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.603 -1.240 -9.481 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.835 -0.854 -11.787 1.00 0.00 H new ATOM 1677 N GLU A 104 -10.808 -6.499 -9.283 1.00 0.00 N ATOM 1678 CA GLU A 104 -11.455 -7.290 -8.251 1.00 0.00 C ATOM 1679 C GLU A 104 -10.413 -7.895 -7.332 1.00 0.00 C ATOM 1680 O GLU A 104 -9.288 -7.410 -7.251 1.00 0.00 O ATOM 1681 CB GLU A 104 -12.303 -8.400 -8.874 1.00 0.00 C ATOM 1682 CG GLU A 104 -12.206 -8.476 -10.390 1.00 0.00 C ATOM 1683 CD GLU A 104 -13.125 -9.526 -10.981 1.00 0.00 C ATOM 1684 OE1 GLU A 104 -12.697 -10.694 -11.095 1.00 0.00 O ATOM 1685 OE2 GLU A 104 -14.274 -9.182 -11.329 1.00 0.00 O ATOM 0 H GLU A 104 -9.936 -6.899 -9.629 1.00 0.00 H new ATOM 0 HA GLU A 104 -12.108 -6.635 -7.674 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -11.997 -9.357 -8.452 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.345 -8.247 -8.594 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.451 -7.503 -10.815 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.177 -8.698 -10.674 1.00 0.00 H new ATOM 1692 N THR A 105 -10.793 -8.946 -6.632 1.00 0.00 N ATOM 1693 CA THR A 105 -9.877 -9.620 -5.730 1.00 0.00 C ATOM 1694 C THR A 105 -8.696 -10.210 -6.498 1.00 0.00 C ATOM 1695 O THR A 105 -7.543 -9.862 -6.244 1.00 0.00 O ATOM 1696 CB THR A 105 -10.594 -10.738 -4.952 1.00 0.00 C ATOM 1697 OG1 THR A 105 -11.380 -10.176 -3.895 1.00 0.00 O ATOM 1698 CG2 THR A 105 -9.596 -11.734 -4.381 1.00 0.00 C ATOM 0 H THR A 105 -11.728 -9.352 -6.670 1.00 0.00 H new ATOM 0 HA THR A 105 -9.507 -8.878 -5.022 1.00 0.00 H new ATOM 0 HB THR A 105 -11.248 -11.267 -5.645 1.00 0.00 H new ATOM 0 HG1 THR A 105 -10.960 -9.348 -3.580 1.00 0.00 H new ATOM 0 HG21 THR A 105 -10.130 -12.513 -3.836 1.00 0.00 H new ATOM 0 HG22 THR A 105 -9.026 -12.185 -5.194 1.00 0.00 H new ATOM 0 HG23 THR A 105 -8.915 -11.219 -3.703 1.00 0.00 H new ATOM 1706 N ASP A 106 -8.988 -11.095 -7.444 1.00 0.00 N ATOM 1707 CA ASP A 106 -7.943 -11.726 -8.241 1.00 0.00 C ATOM 1708 C ASP A 106 -7.482 -10.792 -9.352 1.00 0.00 C ATOM 1709 O ASP A 106 -6.366 -10.912 -9.857 1.00 0.00 O ATOM 1710 CB ASP A 106 -8.446 -13.039 -8.839 1.00 0.00 C ATOM 1711 CG ASP A 106 -9.058 -13.956 -7.797 1.00 0.00 C ATOM 1712 OD1 ASP A 106 -10.237 -13.748 -7.443 1.00 0.00 O ATOM 1713 OD2 ASP A 106 -8.355 -14.881 -7.336 1.00 0.00 O ATOM 0 H ASP A 106 -9.936 -11.391 -7.677 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.097 -11.939 -7.587 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -9.187 -12.823 -9.609 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -7.618 -13.552 -9.328 1.00 0.00 H new ATOM 1718 N GLY A 107 -8.354 -9.862 -9.725 1.00 0.00 N ATOM 1719 CA GLY A 107 -8.025 -8.908 -10.771 1.00 0.00 C ATOM 1720 C GLY A 107 -6.992 -7.898 -10.316 1.00 0.00 C ATOM 1721 O GLY A 107 -6.010 -7.643 -11.012 1.00 0.00 O ATOM 0 H GLY A 107 -9.284 -9.751 -9.322 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.649 -9.442 -11.643 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -8.930 -8.386 -11.082 1.00 0.00 H new ATOM 1725 N ALA A 108 -7.221 -7.320 -9.145 1.00 0.00 N ATOM 1726 CA ALA A 108 -6.305 -6.340 -8.578 1.00 0.00 C ATOM 1727 C ALA A 108 -4.980 -6.993 -8.224 1.00 0.00 C ATOM 1728 O ALA A 108 -3.914 -6.468 -8.532 1.00 0.00 O ATOM 1729 CB ALA A 108 -6.925 -5.706 -7.346 1.00 0.00 C ATOM 0 H ALA A 108 -8.038 -7.514 -8.566 1.00 0.00 H new ATOM 0 HA ALA A 108 -6.118 -5.564 -9.320 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -6.235 -4.974 -6.927 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -7.856 -5.211 -7.621 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.130 -6.478 -6.604 1.00 0.00 H new ATOM 1735 N LEU A 109 -5.055 -8.140 -7.565 1.00 0.00 N ATOM 1736 CA LEU A 109 -3.865 -8.878 -7.185 1.00 0.00 C ATOM 1737 C LEU A 109 -2.980 -9.093 -8.402 1.00 0.00 C ATOM 1738 O LEU A 109 -1.778 -8.822 -8.373 1.00 0.00 O ATOM 1739 CB LEU A 109 -4.279 -10.215 -6.585 1.00 0.00 C ATOM 1740 CG LEU A 109 -3.434 -10.724 -5.412 1.00 0.00 C ATOM 1741 CD1 LEU A 109 -3.251 -9.638 -4.359 1.00 0.00 C ATOM 1742 CD2 LEU A 109 -4.088 -11.948 -4.794 1.00 0.00 C ATOM 0 H LEU A 109 -5.931 -8.579 -7.283 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.300 -8.312 -6.444 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.314 -10.135 -6.252 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.256 -10.966 -7.375 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.450 -10.997 -5.792 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.648 -10.025 -3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.748 -8.780 -4.805 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.226 -9.331 -3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.481 -12.303 -3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -5.082 -11.686 -4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.170 -12.734 -5.544 1.00 0.00 H new ATOM 1754 N GLU A 110 -3.597 -9.567 -9.481 1.00 0.00 N ATOM 1755 CA GLU A 110 -2.878 -9.815 -10.722 1.00 0.00 C ATOM 1756 C GLU A 110 -2.194 -8.537 -11.198 1.00 0.00 C ATOM 1757 O GLU A 110 -1.069 -8.582 -11.690 1.00 0.00 O ATOM 1758 CB GLU A 110 -3.826 -10.365 -11.799 1.00 0.00 C ATOM 1759 CG GLU A 110 -4.207 -9.362 -12.879 1.00 0.00 C ATOM 1760 CD GLU A 110 -5.142 -9.951 -13.917 1.00 0.00 C ATOM 1761 OE1 GLU A 110 -4.647 -10.596 -14.865 1.00 0.00 O ATOM 1762 OE2 GLU A 110 -6.370 -9.766 -13.783 1.00 0.00 O ATOM 0 H GLU A 110 -4.592 -9.786 -9.519 1.00 0.00 H new ATOM 0 HA GLU A 110 -2.111 -10.567 -10.537 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -3.356 -11.228 -12.272 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.735 -10.722 -11.316 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.683 -8.498 -12.416 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -3.303 -9.003 -13.371 1.00 0.00 H new ATOM 1769 N GLU A 111 -2.881 -7.399 -11.050 1.00 0.00 N ATOM 1770 CA GLU A 111 -2.316 -6.108 -11.445 1.00 0.00 C ATOM 1771 C GLU A 111 -0.913 -5.979 -10.885 1.00 0.00 C ATOM 1772 O GLU A 111 0.058 -5.759 -11.616 1.00 0.00 O ATOM 1773 CB GLU A 111 -3.174 -4.957 -10.922 1.00 0.00 C ATOM 1774 CG GLU A 111 -4.442 -4.724 -11.714 1.00 0.00 C ATOM 1775 CD GLU A 111 -4.168 -4.313 -13.149 1.00 0.00 C ATOM 1776 OE1 GLU A 111 -3.940 -3.109 -13.389 1.00 0.00 O ATOM 1777 OE2 GLU A 111 -4.182 -5.196 -14.031 1.00 0.00 O ATOM 0 H GLU A 111 -3.823 -7.347 -10.662 1.00 0.00 H new ATOM 0 HA GLU A 111 -2.291 -6.060 -12.534 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.438 -5.157 -9.884 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -2.580 -4.043 -10.929 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.041 -5.634 -11.709 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.034 -3.950 -11.225 1.00 0.00 H new ATOM 1784 N ILE A 112 -0.824 -6.113 -9.569 1.00 0.00 N ATOM 1785 CA ILE A 112 0.454 -6.049 -8.881 1.00 0.00 C ATOM 1786 C ILE A 112 1.480 -6.920 -9.600 1.00 0.00 C ATOM 1787 O ILE A 112 2.555 -6.452 -9.961 1.00 0.00 O ATOM 1788 CB ILE A 112 0.322 -6.507 -7.414 1.00 0.00 C ATOM 1789 CG1 ILE A 112 -0.606 -5.565 -6.650 1.00 0.00 C ATOM 1790 CG2 ILE A 112 1.686 -6.571 -6.743 1.00 0.00 C ATOM 1791 CD1 ILE A 112 -1.957 -6.166 -6.352 1.00 0.00 C ATOM 0 H ILE A 112 -1.625 -6.267 -8.957 1.00 0.00 H new ATOM 0 HA ILE A 112 0.787 -5.011 -8.888 1.00 0.00 H new ATOM 0 HB ILE A 112 -0.108 -7.508 -7.403 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.129 -5.279 -5.713 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -0.743 -4.652 -7.230 1.00 0.00 H new ATOM 0 HG21 ILE A 112 1.568 -6.896 -5.709 1.00 0.00 H new ATOM 0 HG22 ILE A 112 2.321 -7.279 -7.276 1.00 0.00 H new ATOM 0 HG23 ILE A 112 2.148 -5.584 -6.762 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -2.565 -5.443 -5.808 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.453 -6.427 -7.287 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -1.830 -7.063 -5.746 1.00 0.00 H new ATOM 1803 N LEU A 113 1.129 -8.183 -9.825 1.00 0.00 N ATOM 1804 CA LEU A 113 2.014 -9.116 -10.509 1.00 0.00 C ATOM 1805 C LEU A 113 2.378 -8.629 -11.913 1.00 0.00 C ATOM 1806 O LEU A 113 3.456 -8.931 -12.423 1.00 0.00 O ATOM 1807 CB LEU A 113 1.348 -10.482 -10.607 1.00 0.00 C ATOM 1808 CG LEU A 113 1.385 -11.343 -9.357 1.00 0.00 C ATOM 1809 CD1 LEU A 113 2.747 -11.345 -8.725 1.00 0.00 C ATOM 1810 CD2 LEU A 113 0.329 -10.873 -8.397 1.00 0.00 C ATOM 0 H LEU A 113 0.235 -8.583 -9.542 1.00 0.00 H new ATOM 0 HA LEU A 113 2.932 -9.186 -9.926 1.00 0.00 H new ATOM 0 HB2 LEU A 113 0.306 -10.334 -10.889 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.822 -11.036 -11.417 1.00 0.00 H new ATOM 0 HG LEU A 113 1.174 -12.376 -9.635 1.00 0.00 H new ATOM 0 HD11 LEU A 113 2.733 -11.972 -7.833 1.00 0.00 H new ATOM 0 HD12 LEU A 113 3.476 -11.737 -9.434 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.021 -10.327 -8.449 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.354 -11.490 -7.499 1.00 0.00 H new ATOM 0 HD22 LEU A 113 0.518 -9.833 -8.129 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -0.651 -10.954 -8.866 1.00 0.00 H new ATOM 2019 N ARG A 127 4.564 -11.448 4.992 1.00 0.00 N ATOM 2020 CA ARG A 127 3.854 -10.468 5.811 1.00 0.00 C ATOM 2021 C ARG A 127 3.170 -9.405 4.957 1.00 0.00 C ATOM 2022 O ARG A 127 2.145 -8.850 5.350 1.00 0.00 O ATOM 2023 CB ARG A 127 4.821 -9.795 6.789 1.00 0.00 C ATOM 2024 CG ARG A 127 5.348 -10.729 7.865 1.00 0.00 C ATOM 2025 CD ARG A 127 4.235 -11.200 8.788 1.00 0.00 C ATOM 2026 NE ARG A 127 4.709 -12.171 9.770 1.00 0.00 N ATOM 2027 CZ ARG A 127 4.074 -12.443 10.906 1.00 0.00 C ATOM 2028 NH1 ARG A 127 2.947 -11.812 11.208 1.00 0.00 N ATOM 2029 NH2 ARG A 127 4.566 -13.346 11.742 1.00 0.00 N ATOM 0 HA ARG A 127 3.084 -11.004 6.365 1.00 0.00 H new ATOM 0 HB2 ARG A 127 5.663 -9.386 6.230 1.00 0.00 H new ATOM 0 HB3 ARG A 127 4.316 -8.954 7.265 1.00 0.00 H new ATOM 0 HG2 ARG A 127 5.824 -11.591 7.398 1.00 0.00 H new ATOM 0 HG3 ARG A 127 6.114 -10.218 8.448 1.00 0.00 H new ATOM 0 HD2 ARG A 127 3.806 -10.342 9.305 1.00 0.00 H new ATOM 0 HD3 ARG A 127 3.437 -11.646 8.194 1.00 0.00 H new ATOM 0 HE ARG A 127 5.577 -12.669 9.573 1.00 0.00 H new ATOM 0 HH11 ARG A 127 2.565 -11.116 10.568 1.00 0.00 H new ATOM 0 HH12 ARG A 127 2.462 -12.023 12.080 1.00 0.00 H new ATOM 0 HH21 ARG A 127 5.433 -13.833 11.514 1.00 0.00 H new ATOM 0 HH22 ARG A 127 4.078 -13.554 12.613 1.00 0.00 H new ATOM 2043 N MET A 128 3.740 -9.122 3.791 1.00 0.00 N ATOM 2044 CA MET A 128 3.176 -8.119 2.899 1.00 0.00 C ATOM 2045 C MET A 128 1.940 -8.647 2.190 1.00 0.00 C ATOM 2046 O MET A 128 0.866 -8.056 2.278 1.00 0.00 O ATOM 2047 CB MET A 128 4.233 -7.645 1.888 1.00 0.00 C ATOM 2048 CG MET A 128 3.689 -7.302 0.505 1.00 0.00 C ATOM 2049 SD MET A 128 4.751 -7.895 -0.824 1.00 0.00 S ATOM 2050 CE MET A 128 3.536 -8.186 -2.106 1.00 0.00 C ATOM 0 H MET A 128 4.588 -9.571 3.444 1.00 0.00 H new ATOM 0 HA MET A 128 2.869 -7.263 3.500 1.00 0.00 H new ATOM 0 HB2 MET A 128 4.735 -6.766 2.294 1.00 0.00 H new ATOM 0 HB3 MET A 128 4.989 -8.423 1.783 1.00 0.00 H new ATOM 0 HG2 MET A 128 2.695 -7.735 0.392 1.00 0.00 H new ATOM 0 HG3 MET A 128 3.577 -6.221 0.421 1.00 0.00 H new ATOM 0 HE1 MET A 128 4.034 -8.558 -3.001 1.00 0.00 H new ATOM 0 HE2 MET A 128 2.812 -8.924 -1.760 1.00 0.00 H new ATOM 0 HE3 MET A 128 3.021 -7.254 -2.338 1.00 0.00 H new ATOM 2060 N PHE A 129 2.096 -9.760 1.490 1.00 0.00 N ATOM 2061 CA PHE A 129 0.990 -10.355 0.753 1.00 0.00 C ATOM 2062 C PHE A 129 -0.181 -10.674 1.678 1.00 0.00 C ATOM 2063 O PHE A 129 -1.334 -10.660 1.251 1.00 0.00 O ATOM 2064 CB PHE A 129 1.447 -11.613 0.020 1.00 0.00 C ATOM 2065 CG PHE A 129 0.400 -12.179 -0.896 1.00 0.00 C ATOM 2066 CD1 PHE A 129 0.108 -11.557 -2.100 1.00 0.00 C ATOM 2067 CD2 PHE A 129 -0.293 -13.330 -0.555 1.00 0.00 C ATOM 2068 CE1 PHE A 129 -0.855 -12.071 -2.946 1.00 0.00 C ATOM 2069 CE2 PHE A 129 -1.257 -13.849 -1.397 1.00 0.00 C ATOM 2070 CZ PHE A 129 -1.540 -13.219 -2.594 1.00 0.00 C ATOM 0 H PHE A 129 2.976 -10.270 1.416 1.00 0.00 H new ATOM 0 HA PHE A 129 0.650 -9.627 0.017 1.00 0.00 H new ATOM 0 HB2 PHE A 129 2.341 -11.383 -0.559 1.00 0.00 H new ATOM 0 HB3 PHE A 129 1.727 -12.370 0.752 1.00 0.00 H new ATOM 0 HD1 PHE A 129 0.640 -10.660 -2.380 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -0.077 -13.826 0.379 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -1.073 -11.577 -3.881 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -1.789 -14.747 -1.120 1.00 0.00 H new ATOM 0 HZ PHE A 129 -2.295 -13.623 -3.253 1.00 0.00 H new ATOM 2080 N ARG A 130 0.117 -10.970 2.942 1.00 0.00 N ATOM 2081 CA ARG A 130 -0.927 -11.268 3.912 1.00 0.00 C ATOM 2082 C ARG A 130 -1.934 -10.129 3.958 1.00 0.00 C ATOM 2083 O ARG A 130 -3.142 -10.353 4.007 1.00 0.00 O ATOM 2084 CB ARG A 130 -0.309 -11.485 5.288 1.00 0.00 C ATOM 2085 CG ARG A 130 0.563 -12.723 5.359 1.00 0.00 C ATOM 2086 CD ARG A 130 -0.271 -13.973 5.585 1.00 0.00 C ATOM 2087 NE ARG A 130 0.556 -15.147 5.846 1.00 0.00 N ATOM 2088 CZ ARG A 130 0.088 -16.280 6.360 1.00 0.00 C ATOM 2089 NH1 ARG A 130 -1.197 -16.391 6.672 1.00 0.00 N ATOM 2090 NH2 ARG A 130 0.905 -17.305 6.564 1.00 0.00 N ATOM 0 H ARG A 130 1.066 -11.009 3.313 1.00 0.00 H new ATOM 0 HA ARG A 130 -1.444 -12.179 3.612 1.00 0.00 H new ATOM 0 HB2 ARG A 130 0.287 -10.612 5.554 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -1.105 -11.565 6.029 1.00 0.00 H new ATOM 0 HG2 ARG A 130 1.131 -12.824 4.434 1.00 0.00 H new ATOM 0 HG3 ARG A 130 1.287 -12.615 6.167 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -0.945 -13.811 6.426 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -0.893 -14.156 4.709 1.00 0.00 H new ATOM 0 HE ARG A 130 1.550 -15.095 5.621 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -1.829 -15.605 6.518 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -1.553 -17.262 7.066 1.00 0.00 H new ATOM 0 HH21 ARG A 130 1.894 -17.224 6.326 1.00 0.00 H new ATOM 0 HH22 ARG A 130 0.545 -18.174 6.959 1.00 0.00 H new ATOM 2104 N LEU A 131 -1.417 -8.906 3.945 1.00 0.00 N ATOM 2105 CA LEU A 131 -2.239 -7.713 3.962 1.00 0.00 C ATOM 2106 C LEU A 131 -2.726 -7.395 2.555 1.00 0.00 C ATOM 2107 O LEU A 131 -3.914 -7.175 2.326 1.00 0.00 O ATOM 2108 CB LEU A 131 -1.417 -6.545 4.491 1.00 0.00 C ATOM 2109 CG LEU A 131 -0.474 -6.890 5.632 1.00 0.00 C ATOM 2110 CD1 LEU A 131 0.720 -5.957 5.635 1.00 0.00 C ATOM 2111 CD2 LEU A 131 -1.203 -6.824 6.960 1.00 0.00 C ATOM 0 H LEU A 131 -0.415 -8.719 3.922 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.102 -7.880 4.607 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -0.833 -6.129 3.670 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -2.098 -5.763 4.826 1.00 0.00 H new ATOM 0 HG LEU A 131 -0.114 -7.908 5.486 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.384 -6.219 6.459 1.00 0.00 H new ATOM 0 HD12 LEU A 131 1.257 -6.051 4.691 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.378 -4.929 5.757 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -0.513 -7.074 7.766 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -1.590 -5.817 7.113 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -2.030 -7.534 6.957 1.00 0.00 H new ATOM 2123 N LEU A 132 -1.775 -7.367 1.626 1.00 0.00 N ATOM 2124 CA LEU A 132 -2.047 -7.084 0.221 1.00 0.00 C ATOM 2125 C LEU A 132 -3.296 -7.810 -0.275 1.00 0.00 C ATOM 2126 O LEU A 132 -4.242 -7.181 -0.749 1.00 0.00 O ATOM 2127 CB LEU A 132 -0.839 -7.496 -0.616 1.00 0.00 C ATOM 2128 CG LEU A 132 -0.799 -6.925 -2.030 1.00 0.00 C ATOM 2129 CD1 LEU A 132 0.089 -5.693 -2.075 1.00 0.00 C ATOM 2130 CD2 LEU A 132 -0.313 -7.982 -3.009 1.00 0.00 C ATOM 0 H LEU A 132 -0.790 -7.541 1.828 1.00 0.00 H new ATOM 0 HA LEU A 132 -2.229 -6.014 0.118 1.00 0.00 H new ATOM 0 HB2 LEU A 132 0.066 -7.189 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -0.817 -8.584 -0.681 1.00 0.00 H new ATOM 0 HG LEU A 132 -1.807 -6.628 -2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 132 0.109 -5.296 -3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -0.304 -4.936 -1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 132 1.101 -5.962 -1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -0.289 -7.563 -4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 132 0.689 -8.306 -2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -0.990 -8.836 -2.988 1.00 0.00 H new ATOM 2142 N SER A 133 -3.294 -9.134 -0.165 1.00 0.00 N ATOM 2143 CA SER A 133 -4.424 -9.943 -0.610 1.00 0.00 C ATOM 2144 C SER A 133 -5.613 -9.811 0.331 1.00 0.00 C ATOM 2145 O SER A 133 -6.741 -10.098 -0.054 1.00 0.00 O ATOM 2146 CB SER A 133 -4.009 -11.406 -0.738 1.00 0.00 C ATOM 2147 OG SER A 133 -3.595 -11.935 0.510 1.00 0.00 O ATOM 0 H SER A 133 -2.521 -9.671 0.229 1.00 0.00 H new ATOM 0 HA SER A 133 -4.733 -9.573 -1.588 1.00 0.00 H new ATOM 0 HB2 SER A 133 -4.844 -11.991 -1.124 1.00 0.00 H new ATOM 0 HB3 SER A 133 -3.197 -11.494 -1.460 1.00 0.00 H new ATOM 0 HG SER A 133 -2.732 -11.544 0.761 1.00 0.00 H new ATOM 2153 N ALA A 134 -5.361 -9.386 1.561 1.00 0.00 N ATOM 2154 CA ALA A 134 -6.434 -9.213 2.534 1.00 0.00 C ATOM 2155 C ALA A 134 -7.249 -7.965 2.219 1.00 0.00 C ATOM 2156 O ALA A 134 -8.435 -7.890 2.533 1.00 0.00 O ATOM 2157 CB ALA A 134 -5.868 -9.148 3.938 1.00 0.00 C ATOM 0 H ALA A 134 -4.430 -9.156 1.909 1.00 0.00 H new ATOM 0 HA ALA A 134 -7.099 -10.074 2.473 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -6.681 -9.019 4.652 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -5.335 -10.073 4.158 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -5.180 -8.306 4.014 1.00 0.00 H new ATOM 2163 N PHE A 135 -6.596 -6.979 1.619 1.00 0.00 N ATOM 2164 CA PHE A 135 -7.267 -5.747 1.230 1.00 0.00 C ATOM 2165 C PHE A 135 -7.922 -5.951 -0.125 1.00 0.00 C ATOM 2166 O PHE A 135 -8.976 -5.399 -0.425 1.00 0.00 O ATOM 2167 CB PHE A 135 -6.270 -4.592 1.159 1.00 0.00 C ATOM 2168 CG PHE A 135 -6.909 -3.259 0.931 1.00 0.00 C ATOM 2169 CD1 PHE A 135 -7.427 -2.534 1.991 1.00 0.00 C ATOM 2170 CD2 PHE A 135 -6.972 -2.722 -0.341 1.00 0.00 C ATOM 2171 CE1 PHE A 135 -8.000 -1.295 1.783 1.00 0.00 C ATOM 2172 CE2 PHE A 135 -7.536 -1.485 -0.557 1.00 0.00 C ATOM 2173 CZ PHE A 135 -8.052 -0.768 0.506 1.00 0.00 C ATOM 0 H PHE A 135 -5.602 -7.009 1.391 1.00 0.00 H new ATOM 0 HA PHE A 135 -8.023 -5.498 1.974 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -5.700 -4.558 2.088 1.00 0.00 H new ATOM 0 HB3 PHE A 135 -5.559 -4.786 0.356 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -7.382 -2.942 2.990 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -6.574 -3.280 -1.176 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -8.406 -0.739 2.615 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -7.575 -1.075 -1.556 1.00 0.00 H new ATOM 0 HZ PHE A 135 -8.495 0.203 0.339 1.00 0.00 H new ATOM 2183 N ILE A 136 -7.265 -6.755 -0.942 1.00 0.00 N ATOM 2184 CA ILE A 136 -7.756 -7.086 -2.259 1.00 0.00 C ATOM 2185 C ILE A 136 -8.990 -7.972 -2.121 1.00 0.00 C ATOM 2186 O ILE A 136 -9.923 -7.911 -2.924 1.00 0.00 O ATOM 2187 CB ILE A 136 -6.654 -7.838 -3.044 1.00 0.00 C ATOM 2188 CG1 ILE A 136 -6.190 -7.033 -4.253 1.00 0.00 C ATOM 2189 CG2 ILE A 136 -7.107 -9.227 -3.456 1.00 0.00 C ATOM 2190 CD1 ILE A 136 -4.811 -6.446 -4.064 1.00 0.00 C ATOM 0 H ILE A 136 -6.375 -7.195 -0.707 1.00 0.00 H new ATOM 0 HA ILE A 136 -8.020 -6.176 -2.797 1.00 0.00 H new ATOM 0 HB ILE A 136 -5.803 -7.957 -2.373 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -6.190 -7.675 -5.134 1.00 0.00 H new ATOM 0 HG13 ILE A 136 -6.900 -6.229 -4.444 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -6.306 -9.723 -4.005 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -7.352 -9.808 -2.567 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -7.988 -9.148 -4.093 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -4.530 -5.883 -4.954 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -4.814 -5.781 -3.200 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -4.093 -7.250 -3.901 1.00 0.00 H new ATOM 2202 N ALA A 137 -8.965 -8.793 -1.077 1.00 0.00 N ATOM 2203 CA ALA A 137 -10.032 -9.737 -0.784 1.00 0.00 C ATOM 2204 C ALA A 137 -11.142 -9.128 0.069 1.00 0.00 C ATOM 2205 O ALA A 137 -12.307 -9.109 -0.328 1.00 0.00 O ATOM 2206 CB ALA A 137 -9.438 -10.944 -0.073 1.00 0.00 C ATOM 0 H ALA A 137 -8.197 -8.821 -0.406 1.00 0.00 H new ATOM 0 HA ALA A 137 -10.487 -10.029 -1.730 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -10.229 -11.659 0.152 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -8.695 -11.415 -0.716 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -8.964 -10.623 0.855 1.00 0.00 H new ATOM 2212 N ASP A 138 -10.768 -8.635 1.244 1.00 0.00 N ATOM 2213 CA ASP A 138 -11.726 -8.068 2.188 1.00 0.00 C ATOM 2214 C ASP A 138 -11.755 -6.544 2.167 1.00 0.00 C ATOM 2215 O ASP A 138 -12.754 -5.934 2.551 1.00 0.00 O ATOM 2216 CB ASP A 138 -11.387 -8.550 3.595 1.00 0.00 C ATOM 2217 CG ASP A 138 -12.258 -7.909 4.658 1.00 0.00 C ATOM 2218 OD1 ASP A 138 -11.882 -6.830 5.161 1.00 0.00 O ATOM 2219 OD2 ASP A 138 -13.315 -8.487 4.988 1.00 0.00 O ATOM 0 H ASP A 138 -9.801 -8.616 1.568 1.00 0.00 H new ATOM 0 HA ASP A 138 -12.717 -8.408 1.886 1.00 0.00 H new ATOM 0 HB2 ASP A 138 -11.502 -9.633 3.641 1.00 0.00 H new ATOM 0 HB3 ASP A 138 -10.341 -8.331 3.808 1.00 0.00 H new