USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 794 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 62 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.00936) USER MOD Set 1.2: A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 150:sc= -0.0408 (180deg=-0.725) USER MOD Single : A 27 ASN : amide:sc= -0.802 K(o=-0.8,f=-2.3!) USER MOD Single : A 36 THR OG1 : rot -43:sc= 0.391 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.501 USER MOD Single : A 40 TYR OH : rot 180:sc= -0.271 USER MOD Single : A 41 HIS :FLIP no HD1:sc= -1.42 F(o=-2.8,f=-1.4) USER MOD Single : A 44 THR OG1 : rot 52:sc= 0.989 USER MOD Single : A 46 GLN : amide:sc= -0.137 K(o=-0.14,f=-0.79) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -1.89 F(o=-2.6,f=-1.9) USER MOD Single : A 57 ASN :FLIP amide:sc= -2.27! C(o=-3.6!,f=-2.3!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 CYS SG : rot -28:sc= 0.302 USER MOD Single : A 77 SER OG : rot 180:sc= 0.549 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= -0.0066 USER MOD Single : A 93 HIS : no HD1:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : A 95 CYS SG : rot -49:sc= -0.74 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -158:sc= -3.54! (180deg=-4.32!) USER MOD Single : A 113 ASN : amide:sc= -2.01 K(o=-2,f=-3.7!) USER MOD Single : A 114 SER OG : rot -57:sc= 0.00857 USER MOD Single : A 115 THR OG1 : rot 88:sc= 0.376 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -0.516 6.336 8.951 1.00 0.00 N ATOM 67 CA LEU A 8 -0.949 5.035 8.451 1.00 0.00 C ATOM 68 C LEU A 8 -2.117 5.185 7.482 1.00 0.00 C ATOM 69 O LEU A 8 -3.062 5.930 7.743 1.00 0.00 O ATOM 70 CB LEU A 8 -1.350 4.127 9.616 1.00 0.00 C ATOM 71 CG LEU A 8 -1.202 2.624 9.376 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.356 1.859 10.681 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.219 2.145 8.351 1.00 0.00 C ATOM 0 HA LEU A 8 -0.114 4.582 7.916 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.749 4.397 10.485 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.390 4.334 9.871 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.203 2.434 8.983 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.248 0.791 10.492 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.589 2.182 11.385 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.342 2.055 11.103 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.099 1.073 8.193 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.226 2.347 8.716 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.062 2.671 7.409 1.00 0.00 H new ATOM 85 N VAL A 9 -2.047 4.470 6.364 1.00 0.00 N ATOM 86 CA VAL A 9 -3.101 4.521 5.357 1.00 0.00 C ATOM 87 C VAL A 9 -4.106 3.392 5.556 1.00 0.00 C ATOM 88 O VAL A 9 -5.293 3.635 5.774 1.00 0.00 O ATOM 89 CB VAL A 9 -2.521 4.432 3.933 1.00 0.00 C ATOM 90 CG1 VAL A 9 -3.638 4.435 2.900 1.00 0.00 C ATOM 91 CG2 VAL A 9 -1.548 5.574 3.682 1.00 0.00 C ATOM 0 H VAL A 9 -1.272 3.849 6.132 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.607 5.479 5.476 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.975 3.493 3.840 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.209 4.372 1.900 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.292 3.580 3.069 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.214 5.356 2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.148 5.495 2.671 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.067 6.526 3.794 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.731 5.520 4.401 1.00 0.00 H new ATOM 101 N ARG A 10 -3.623 2.156 5.481 1.00 0.00 N ATOM 102 CA ARG A 10 -4.479 0.989 5.652 1.00 0.00 C ATOM 103 C ARG A 10 -3.755 -0.108 6.427 1.00 0.00 C ATOM 104 O ARG A 10 -2.531 -0.218 6.369 1.00 0.00 O ATOM 105 CB ARG A 10 -4.928 0.455 4.290 1.00 0.00 C ATOM 106 CG ARG A 10 -5.988 -0.630 4.381 1.00 0.00 C ATOM 107 CD ARG A 10 -7.390 -0.041 4.365 1.00 0.00 C ATOM 108 NE ARG A 10 -7.780 0.481 5.672 1.00 0.00 N ATOM 109 CZ ARG A 10 -9.014 0.874 5.969 1.00 0.00 C ATOM 110 NH1 ARG A 10 -9.972 0.805 5.055 1.00 0.00 N ATOM 111 NH2 ARG A 10 -9.290 1.338 7.181 1.00 0.00 N ATOM 0 H ARG A 10 -2.643 1.937 5.303 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.356 1.294 6.222 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.316 1.282 3.695 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.061 0.061 3.760 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.874 -1.323 3.547 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.844 -1.205 5.296 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.439 0.759 3.626 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.101 -0.806 4.054 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.066 0.548 6.397 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.762 0.450 4.122 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.919 1.107 5.285 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.555 1.393 7.886 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.238 1.639 7.408 1.00 0.00 H new ATOM 125 N GLY A 11 -4.520 -0.917 7.153 1.00 0.00 N ATOM 126 CA GLY A 11 -3.934 -1.993 7.930 1.00 0.00 C ATOM 127 C GLY A 11 -4.905 -3.134 8.165 1.00 0.00 C ATOM 128 O GLY A 11 -6.065 -2.910 8.506 1.00 0.00 O ATOM 0 H GLY A 11 -5.536 -0.846 7.217 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.052 -2.371 7.414 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.598 -1.602 8.890 1.00 0.00 H new ATOM 132 N GLY A 12 -4.429 -4.362 7.980 1.00 0.00 N ATOM 133 CA GLY A 12 -5.277 -5.523 8.177 1.00 0.00 C ATOM 134 C GLY A 12 -4.527 -6.827 7.987 1.00 0.00 C ATOM 135 O GLY A 12 -3.442 -6.847 7.406 1.00 0.00 O ATOM 0 H GLY A 12 -3.472 -4.573 7.697 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.700 -5.494 9.181 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.112 -5.482 7.478 1.00 0.00 H new ATOM 139 N TRP A 13 -5.106 -7.917 8.477 1.00 0.00 N ATOM 140 CA TRP A 13 -4.484 -9.231 8.359 1.00 0.00 C ATOM 141 C TRP A 13 -4.628 -9.776 6.943 1.00 0.00 C ATOM 142 O TRP A 13 -5.652 -9.573 6.289 1.00 0.00 O ATOM 143 CB TRP A 13 -5.109 -10.205 9.359 1.00 0.00 C ATOM 144 CG TRP A 13 -4.792 -9.875 10.787 1.00 0.00 C ATOM 145 CD1 TRP A 13 -5.345 -8.879 11.540 1.00 0.00 C ATOM 146 CD2 TRP A 13 -3.848 -10.542 11.631 1.00 0.00 C ATOM 147 NE1 TRP A 13 -4.801 -8.886 12.802 1.00 0.00 N ATOM 148 CE2 TRP A 13 -3.881 -9.898 12.883 1.00 0.00 C ATOM 149 CE3 TRP A 13 -2.980 -11.622 11.452 1.00 0.00 C ATOM 150 CZ2 TRP A 13 -3.078 -10.298 13.948 1.00 0.00 C ATOM 151 CZ3 TRP A 13 -2.183 -12.019 12.510 1.00 0.00 C ATOM 152 CH2 TRP A 13 -2.237 -11.359 13.745 1.00 0.00 C ATOM 0 H TRP A 13 -6.005 -7.917 8.960 1.00 0.00 H new ATOM 0 HA TRP A 13 -3.422 -9.124 8.581 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.191 -10.207 9.226 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -4.759 -11.214 9.140 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -6.099 -8.187 11.194 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -5.043 -8.243 13.556 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.932 -12.138 10.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -3.117 -9.789 14.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.507 -12.852 12.382 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.603 -11.694 14.552 1.00 0.00 H new ATOM 163 N LEU A 14 -3.596 -10.468 6.473 1.00 0.00 N ATOM 164 CA LEU A 14 -3.608 -11.043 5.132 1.00 0.00 C ATOM 165 C LEU A 14 -2.690 -12.259 5.053 1.00 0.00 C ATOM 166 O LEU A 14 -1.576 -12.242 5.575 1.00 0.00 O ATOM 167 CB LEU A 14 -3.177 -9.997 4.103 1.00 0.00 C ATOM 168 CG LEU A 14 -4.160 -8.851 3.859 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.499 -7.742 3.056 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.405 -9.358 3.146 1.00 0.00 C ATOM 0 H LEU A 14 -2.741 -10.645 7.000 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.626 -11.364 4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.226 -9.571 4.423 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.996 -10.502 3.154 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.459 -8.444 4.825 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.214 -6.936 2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.639 -7.359 3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.170 -8.136 2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.093 -8.529 2.981 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.123 -9.792 2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.892 -10.117 3.759 1.00 0.00 H new ATOM 182 N TRP A 15 -3.164 -13.310 4.394 1.00 0.00 N ATOM 183 CA TRP A 15 -2.385 -14.534 4.244 1.00 0.00 C ATOM 184 C TRP A 15 -1.273 -14.349 3.217 1.00 0.00 C ATOM 185 O TRP A 15 -1.512 -13.861 2.112 1.00 0.00 O ATOM 186 CB TRP A 15 -3.292 -15.693 3.829 1.00 0.00 C ATOM 187 CG TRP A 15 -4.234 -16.127 4.911 1.00 0.00 C ATOM 188 CD1 TRP A 15 -5.560 -15.817 5.015 1.00 0.00 C ATOM 189 CD2 TRP A 15 -3.921 -16.947 6.042 1.00 0.00 C ATOM 190 NE1 TRP A 15 -6.091 -16.395 6.143 1.00 0.00 N ATOM 191 CE2 TRP A 15 -5.106 -17.094 6.790 1.00 0.00 C ATOM 192 CE3 TRP A 15 -2.757 -17.572 6.495 1.00 0.00 C ATOM 193 CZ2 TRP A 15 -5.156 -17.840 7.965 1.00 0.00 C ATOM 194 CZ3 TRP A 15 -2.808 -18.312 7.661 1.00 0.00 C ATOM 195 CH2 TRP A 15 -4.001 -18.442 8.385 1.00 0.00 C ATOM 0 H TRP A 15 -4.084 -13.339 3.955 1.00 0.00 H new ATOM 0 HA TRP A 15 -1.930 -14.766 5.207 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -3.868 -15.398 2.952 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -2.674 -16.541 3.534 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -6.110 -15.207 4.314 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.061 -16.316 6.449 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -1.833 -17.479 5.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.074 -17.940 8.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -1.913 -18.798 8.020 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.009 -19.029 9.292 1.00 0.00 H new ATOM 206 N ARG A 16 -0.059 -14.741 3.588 1.00 0.00 N ATOM 207 CA ARG A 16 1.089 -14.617 2.699 1.00 0.00 C ATOM 208 C ARG A 16 1.629 -15.991 2.313 1.00 0.00 C ATOM 209 O ARG A 16 1.701 -16.895 3.145 1.00 0.00 O ATOM 210 CB ARG A 16 2.192 -13.793 3.366 1.00 0.00 C ATOM 211 CG ARG A 16 3.503 -13.793 2.597 1.00 0.00 C ATOM 212 CD ARG A 16 4.303 -12.527 2.859 1.00 0.00 C ATOM 213 NE ARG A 16 4.757 -12.444 4.245 1.00 0.00 N ATOM 214 CZ ARG A 16 5.784 -13.137 4.725 1.00 0.00 C ATOM 215 NH1 ARG A 16 6.460 -13.959 3.934 1.00 0.00 N ATOM 216 NH2 ARG A 16 6.137 -13.007 5.997 1.00 0.00 N ATOM 0 H ARG A 16 0.155 -15.147 4.499 1.00 0.00 H new ATOM 0 HA ARG A 16 0.761 -14.107 1.793 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.847 -12.765 3.480 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.369 -14.183 4.369 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.094 -14.663 2.883 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.300 -13.882 1.530 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.165 -12.498 2.193 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.691 -11.656 2.625 1.00 0.00 H new ATOM 0 HE ARG A 16 4.258 -11.820 4.879 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.192 -14.060 2.955 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.248 -14.490 4.304 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.620 -12.375 6.608 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.926 -13.540 6.364 1.00 0.00 H new ATOM 230 N GLN A 17 2.006 -16.139 1.047 1.00 0.00 N ATOM 231 CA GLN A 17 2.537 -17.404 0.552 1.00 0.00 C ATOM 232 C GLN A 17 4.060 -17.362 0.479 1.00 0.00 C ATOM 233 O GLN A 17 4.643 -16.375 0.031 1.00 0.00 O ATOM 234 CB GLN A 17 1.957 -17.720 -0.828 1.00 0.00 C ATOM 235 CG GLN A 17 1.957 -19.203 -1.163 1.00 0.00 C ATOM 236 CD GLN A 17 1.459 -19.484 -2.567 1.00 0.00 C ATOM 237 OE1 GLN A 17 2.206 -19.363 -3.538 1.00 0.00 O ATOM 238 NE2 GLN A 17 0.191 -19.862 -2.681 1.00 0.00 N ATOM 0 H GLN A 17 1.954 -15.400 0.346 1.00 0.00 H new ATOM 0 HA GLN A 17 2.246 -18.190 1.249 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.935 -17.345 -0.878 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.530 -17.185 -1.585 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.968 -19.596 -1.055 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.330 -19.734 -0.446 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.392 -19.949 -1.849 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.200 -20.065 -3.601 1.00 0.00 H new ATOM 331 N ARG A 23 3.241 -22.479 2.132 1.00 0.00 N ATOM 332 CA ARG A 23 2.054 -22.463 2.979 1.00 0.00 C ATOM 333 C ARG A 23 1.664 -21.033 3.340 1.00 0.00 C ATOM 334 O ARG A 23 2.525 -20.173 3.531 1.00 0.00 O ATOM 335 CB ARG A 23 2.300 -23.273 4.253 1.00 0.00 C ATOM 336 CG ARG A 23 1.023 -23.739 4.933 1.00 0.00 C ATOM 337 CD ARG A 23 0.241 -24.700 4.052 1.00 0.00 C ATOM 338 NE ARG A 23 -0.802 -25.401 4.798 1.00 0.00 N ATOM 339 CZ ARG A 23 -0.552 -26.300 5.743 1.00 0.00 C ATOM 340 NH1 ARG A 23 0.699 -26.606 6.057 1.00 0.00 N ATOM 341 NH2 ARG A 23 -1.555 -26.894 6.377 1.00 0.00 N ATOM 0 HA ARG A 23 1.234 -22.916 2.422 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.910 -24.143 4.009 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.875 -22.667 4.954 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.269 -24.227 5.876 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.402 -22.876 5.173 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.211 -24.149 3.227 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.924 -25.427 3.613 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.776 -25.188 4.581 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.472 -26.151 5.572 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.888 -27.297 6.783 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.519 -26.660 6.139 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.362 -27.584 7.103 1.00 0.00 H new ATOM 355 N TRP A 24 0.363 -20.785 3.432 1.00 0.00 N ATOM 356 CA TRP A 24 -0.141 -19.459 3.770 1.00 0.00 C ATOM 357 C TRP A 24 0.099 -19.145 5.243 1.00 0.00 C ATOM 358 O TRP A 24 -0.091 -19.999 6.109 1.00 0.00 O ATOM 359 CB TRP A 24 -1.634 -19.362 3.452 1.00 0.00 C ATOM 360 CG TRP A 24 -1.930 -19.375 1.983 1.00 0.00 C ATOM 361 CD1 TRP A 24 -2.336 -20.445 1.238 1.00 0.00 C ATOM 362 CD2 TRP A 24 -1.841 -18.267 1.081 1.00 0.00 C ATOM 363 NE1 TRP A 24 -2.505 -20.069 -0.073 1.00 0.00 N ATOM 364 CE2 TRP A 24 -2.209 -18.737 -0.195 1.00 0.00 C ATOM 365 CE3 TRP A 24 -1.490 -16.922 1.227 1.00 0.00 C ATOM 366 CZ2 TRP A 24 -2.232 -17.911 -1.315 1.00 0.00 C ATOM 367 CZ3 TRP A 24 -1.513 -16.103 0.114 1.00 0.00 C ATOM 368 CH2 TRP A 24 -1.883 -16.599 -1.143 1.00 0.00 C ATOM 0 H TRP A 24 -0.363 -21.485 3.277 1.00 0.00 H new ATOM 0 HA TRP A 24 0.400 -18.728 3.169 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -2.154 -20.193 3.928 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.032 -18.446 3.888 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -2.500 -21.441 1.623 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -2.803 -20.682 -0.832 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -1.206 -16.530 2.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.515 -18.292 -2.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.241 -15.063 0.215 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.893 -15.933 -1.993 1.00 0.00 H new ATOM 379 N LYS A 25 0.516 -17.914 5.521 1.00 0.00 N ATOM 380 CA LYS A 25 0.781 -17.486 6.889 1.00 0.00 C ATOM 381 C LYS A 25 0.104 -16.151 7.182 1.00 0.00 C ATOM 382 O LYS A 25 0.154 -15.228 6.369 1.00 0.00 O ATOM 383 CB LYS A 25 2.288 -17.369 7.126 1.00 0.00 C ATOM 384 CG LYS A 25 2.951 -16.281 6.298 1.00 0.00 C ATOM 385 CD LYS A 25 4.415 -16.592 6.039 1.00 0.00 C ATOM 386 CE LYS A 25 5.271 -16.304 7.263 1.00 0.00 C ATOM 387 NZ LYS A 25 5.280 -17.448 8.216 1.00 0.00 N ATOM 0 H LYS A 25 0.678 -17.195 4.816 1.00 0.00 H new ATOM 0 HA LYS A 25 0.371 -18.237 7.564 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.467 -17.170 8.183 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.759 -18.325 6.898 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.427 -16.175 5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.867 -15.326 6.816 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.521 -17.640 5.758 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.771 -15.998 5.197 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.292 -16.085 6.949 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.895 -15.414 7.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.186 -17.467 8.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.501 -17.339 8.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.160 -18.338 7.691 1.00 0.00 H new ATOM 401 N ARG A 26 -0.528 -16.056 8.348 1.00 0.00 N ATOM 402 CA ARG A 26 -1.214 -14.833 8.747 1.00 0.00 C ATOM 403 C ARG A 26 -0.212 -13.738 9.102 1.00 0.00 C ATOM 404 O ARG A 26 0.729 -13.966 9.861 1.00 0.00 O ATOM 405 CB ARG A 26 -2.132 -15.105 9.940 1.00 0.00 C ATOM 406 CG ARG A 26 -3.541 -15.514 9.543 1.00 0.00 C ATOM 407 CD ARG A 26 -4.222 -16.309 10.646 1.00 0.00 C ATOM 408 NE ARG A 26 -5.670 -16.118 10.644 1.00 0.00 N ATOM 409 CZ ARG A 26 -6.522 -16.953 11.229 1.00 0.00 C ATOM 410 NH1 ARG A 26 -6.073 -18.029 11.860 1.00 0.00 N ATOM 411 NH2 ARG A 26 -7.826 -16.711 11.184 1.00 0.00 N ATOM 0 H ARG A 26 -0.579 -16.811 9.032 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.815 -14.492 7.904 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.693 -15.892 10.553 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.184 -14.210 10.560 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.129 -14.625 9.318 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.505 -16.111 8.632 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.996 -17.368 10.522 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.818 -16.008 11.612 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.048 -15.299 10.168 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.071 -18.217 11.897 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.729 -18.668 12.308 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.175 -15.884 10.700 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.480 -17.352 11.633 1.00 0.00 H new ATOM 425 N ASN A 27 -0.421 -12.549 8.546 1.00 0.00 N ATOM 426 CA ASN A 27 0.464 -11.419 8.803 1.00 0.00 C ATOM 427 C ASN A 27 -0.303 -10.102 8.741 1.00 0.00 C ATOM 428 O ASN A 27 -1.241 -9.954 7.957 1.00 0.00 O ATOM 429 CB ASN A 27 1.611 -11.402 7.791 1.00 0.00 C ATOM 430 CG ASN A 27 2.797 -12.230 8.247 1.00 0.00 C ATOM 431 OD1 ASN A 27 2.813 -13.451 8.089 1.00 0.00 O ATOM 432 ND2 ASN A 27 3.797 -11.567 8.816 1.00 0.00 N ATOM 0 H ASN A 27 -1.195 -12.343 7.915 1.00 0.00 H new ATOM 0 HA ASN A 27 0.875 -11.533 9.806 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.253 -11.781 6.834 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.931 -10.373 7.626 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.622 -12.070 9.143 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.740 -10.555 8.926 1.00 0.00 H new ATOM 439 N TRP A 28 0.102 -9.148 9.571 1.00 0.00 N ATOM 440 CA TRP A 28 -0.547 -7.842 9.610 1.00 0.00 C ATOM 441 C TRP A 28 0.241 -6.818 8.801 1.00 0.00 C ATOM 442 O TRP A 28 1.320 -6.387 9.210 1.00 0.00 O ATOM 443 CB TRP A 28 -0.693 -7.365 11.056 1.00 0.00 C ATOM 444 CG TRP A 28 -1.019 -5.907 11.171 1.00 0.00 C ATOM 445 CD1 TRP A 28 -0.131 -4.870 11.213 1.00 0.00 C ATOM 446 CD2 TRP A 28 -2.324 -5.325 11.259 1.00 0.00 C ATOM 447 NE1 TRP A 28 -0.806 -3.678 11.323 1.00 0.00 N ATOM 448 CE2 TRP A 28 -2.152 -3.930 11.352 1.00 0.00 C ATOM 449 CE3 TRP A 28 -3.620 -5.846 11.267 1.00 0.00 C ATOM 450 CZ2 TRP A 28 -3.229 -3.053 11.453 1.00 0.00 C ATOM 451 CZ3 TRP A 28 -4.688 -4.974 11.367 1.00 0.00 C ATOM 452 CH2 TRP A 28 -4.487 -3.590 11.458 1.00 0.00 C ATOM 0 H TRP A 28 0.877 -9.254 10.226 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.538 -7.943 9.166 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.476 -7.945 11.545 1.00 0.00 H new ATOM 0 HB3 TRP A 28 0.234 -7.566 11.593 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.943 -4.972 11.167 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.375 -2.755 11.375 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.785 -6.911 11.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.076 -1.986 11.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -5.694 -5.366 11.375 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.342 -2.935 11.534 1.00 0.00 H new ATOM 463 N PHE A 29 -0.304 -6.432 7.652 1.00 0.00 N ATOM 464 CA PHE A 29 0.350 -5.458 6.786 1.00 0.00 C ATOM 465 C PHE A 29 -0.146 -4.046 7.083 1.00 0.00 C ATOM 466 O PHE A 29 -1.312 -3.845 7.421 1.00 0.00 O ATOM 467 CB PHE A 29 0.097 -5.801 5.316 1.00 0.00 C ATOM 468 CG PHE A 29 0.839 -7.021 4.849 1.00 0.00 C ATOM 469 CD1 PHE A 29 0.601 -8.257 5.429 1.00 0.00 C ATOM 470 CD2 PHE A 29 1.774 -6.932 3.831 1.00 0.00 C ATOM 471 CE1 PHE A 29 1.281 -9.382 5.001 1.00 0.00 C ATOM 472 CE2 PHE A 29 2.457 -8.053 3.399 1.00 0.00 C ATOM 473 CZ PHE A 29 2.211 -9.279 3.985 1.00 0.00 C ATOM 0 H PHE A 29 -1.196 -6.779 7.299 1.00 0.00 H new ATOM 0 HA PHE A 29 1.422 -5.496 6.982 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.971 -5.956 5.166 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.386 -4.951 4.698 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.124 -8.342 6.225 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.972 -5.976 3.370 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.085 -10.340 5.460 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.183 -7.970 2.604 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.745 -10.156 3.649 1.00 0.00 H new ATOM 483 N ALA A 30 0.748 -3.072 6.954 1.00 0.00 N ATOM 484 CA ALA A 30 0.402 -1.679 7.207 1.00 0.00 C ATOM 485 C ALA A 30 1.112 -0.750 6.227 1.00 0.00 C ATOM 486 O ALA A 30 2.314 -0.881 5.993 1.00 0.00 O ATOM 487 CB ALA A 30 0.747 -1.301 8.640 1.00 0.00 C ATOM 0 H ALA A 30 1.718 -3.222 6.676 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.672 -1.565 7.062 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.483 -0.258 8.815 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.190 -1.936 9.328 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.816 -1.437 8.805 1.00 0.00 H new ATOM 493 N LEU A 31 0.361 0.186 5.658 1.00 0.00 N ATOM 494 CA LEU A 31 0.919 1.137 4.702 1.00 0.00 C ATOM 495 C LEU A 31 1.212 2.475 5.373 1.00 0.00 C ATOM 496 O LEU A 31 0.384 3.003 6.115 1.00 0.00 O ATOM 497 CB LEU A 31 -0.046 1.340 3.533 1.00 0.00 C ATOM 498 CG LEU A 31 0.385 2.358 2.476 1.00 0.00 C ATOM 499 CD1 LEU A 31 1.460 1.769 1.576 1.00 0.00 C ATOM 500 CD2 LEU A 31 -0.812 2.812 1.653 1.00 0.00 C ATOM 0 H LEU A 31 -0.635 0.307 5.841 1.00 0.00 H new ATOM 0 HA LEU A 31 1.856 0.728 4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.198 0.379 3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.011 1.649 3.934 1.00 0.00 H new ATOM 0 HG LEU A 31 0.801 3.227 2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.755 2.507 0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.327 1.494 2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.070 0.883 1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.486 3.536 0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.258 1.952 1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.550 3.274 2.309 1.00 0.00 H new ATOM 512 N TRP A 32 2.394 3.018 5.106 1.00 0.00 N ATOM 513 CA TRP A 32 2.796 4.296 5.683 1.00 0.00 C ATOM 514 C TRP A 32 2.756 5.402 4.634 1.00 0.00 C ATOM 515 O TRP A 32 2.963 5.153 3.446 1.00 0.00 O ATOM 516 CB TRP A 32 4.201 4.191 6.278 1.00 0.00 C ATOM 517 CG TRP A 32 4.331 3.107 7.305 1.00 0.00 C ATOM 518 CD1 TRP A 32 5.115 1.992 7.225 1.00 0.00 C ATOM 519 CD2 TRP A 32 3.656 3.035 8.566 1.00 0.00 C ATOM 520 NE1 TRP A 32 4.968 1.231 8.359 1.00 0.00 N ATOM 521 CE2 TRP A 32 4.079 1.850 9.198 1.00 0.00 C ATOM 522 CE3 TRP A 32 2.737 3.858 9.223 1.00 0.00 C ATOM 523 CZ2 TRP A 32 3.612 1.468 10.453 1.00 0.00 C ATOM 524 CZ3 TRP A 32 2.274 3.478 10.468 1.00 0.00 C ATOM 525 CH2 TRP A 32 2.713 2.292 11.073 1.00 0.00 C ATOM 0 H TRP A 32 3.091 2.594 4.494 1.00 0.00 H new ATOM 0 HA TRP A 32 2.092 4.547 6.476 1.00 0.00 H new ATOM 0 HB2 TRP A 32 4.915 4.009 5.475 1.00 0.00 H new ATOM 0 HB3 TRP A 32 4.468 5.145 6.732 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.757 1.745 6.392 1.00 0.00 H new ATOM 0 HE1 TRP A 32 5.444 0.348 8.546 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.395 4.775 8.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 3.948 0.554 10.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 1.562 4.105 10.984 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.334 2.023 12.048 1.00 0.00 H new ATOM 536 N LEU A 33 2.490 6.625 5.081 1.00 0.00 N ATOM 537 CA LEU A 33 2.423 7.771 4.180 1.00 0.00 C ATOM 538 C LEU A 33 3.723 7.924 3.398 1.00 0.00 C ATOM 539 O LEU A 33 3.718 8.348 2.242 1.00 0.00 O ATOM 540 CB LEU A 33 2.136 9.049 4.970 1.00 0.00 C ATOM 541 CG LEU A 33 0.774 9.118 5.663 1.00 0.00 C ATOM 542 CD1 LEU A 33 0.267 10.551 5.701 1.00 0.00 C ATOM 543 CD2 LEU A 33 -0.228 8.213 4.961 1.00 0.00 C ATOM 0 H LEU A 33 2.317 6.848 6.061 1.00 0.00 H new ATOM 0 HA LEU A 33 1.612 7.599 3.472 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.912 9.167 5.726 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.220 9.898 4.292 1.00 0.00 H new ATOM 0 HG LEU A 33 0.891 8.769 6.689 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.703 10.581 6.197 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.975 11.173 6.249 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.165 10.928 4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.191 8.275 5.468 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.342 8.531 3.925 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.130 7.184 4.987 1.00 0.00 H new ATOM 555 N ASP A 34 4.836 7.576 4.035 1.00 0.00 N ATOM 556 CA ASP A 34 6.144 7.672 3.398 1.00 0.00 C ATOM 557 C ASP A 34 6.155 6.931 2.065 1.00 0.00 C ATOM 558 O ASP A 34 7.001 7.185 1.208 1.00 0.00 O ATOM 559 CB ASP A 34 7.226 7.107 4.319 1.00 0.00 C ATOM 560 CG ASP A 34 7.019 5.636 4.621 1.00 0.00 C ATOM 561 OD1 ASP A 34 6.522 4.912 3.733 1.00 0.00 O ATOM 562 OD2 ASP A 34 7.352 5.208 5.746 1.00 0.00 O ATOM 0 H ASP A 34 4.858 7.225 4.992 1.00 0.00 H new ATOM 0 HA ASP A 34 6.352 8.725 3.209 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.203 7.246 3.855 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.234 7.669 5.253 1.00 0.00 H new ATOM 567 N GLY A 35 5.209 6.011 1.897 1.00 0.00 N ATOM 568 CA GLY A 35 5.128 5.246 0.666 1.00 0.00 C ATOM 569 C GLY A 35 5.797 3.891 0.782 1.00 0.00 C ATOM 570 O GLY A 35 6.343 3.374 -0.194 1.00 0.00 O ATOM 0 H GLY A 35 4.498 5.782 2.591 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.081 5.109 0.395 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.595 5.811 -0.141 1.00 0.00 H new ATOM 574 N THR A 36 5.758 3.313 1.978 1.00 0.00 N ATOM 575 CA THR A 36 6.368 2.011 2.219 1.00 0.00 C ATOM 576 C THR A 36 5.338 1.007 2.724 1.00 0.00 C ATOM 577 O THR A 36 4.274 1.387 3.214 1.00 0.00 O ATOM 578 CB THR A 36 7.517 2.109 3.240 1.00 0.00 C ATOM 579 OG1 THR A 36 7.028 2.632 4.479 1.00 0.00 O ATOM 580 CG2 THR A 36 8.634 2.997 2.714 1.00 0.00 C ATOM 0 H THR A 36 5.310 3.726 2.796 1.00 0.00 H new ATOM 0 HA THR A 36 6.769 1.668 1.265 1.00 0.00 H new ATOM 0 HB THR A 36 7.916 1.108 3.402 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.423 3.382 4.301 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.434 3.051 3.452 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.024 2.579 1.786 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.245 3.998 2.526 1.00 0.00 H new ATOM 588 N LEU A 37 5.661 -0.276 2.603 1.00 0.00 N ATOM 589 CA LEU A 37 4.763 -1.336 3.048 1.00 0.00 C ATOM 590 C LEU A 37 5.466 -2.267 4.031 1.00 0.00 C ATOM 591 O LEU A 37 6.322 -3.062 3.646 1.00 0.00 O ATOM 592 CB LEU A 37 4.251 -2.135 1.849 1.00 0.00 C ATOM 593 CG LEU A 37 2.914 -2.851 2.041 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.783 -1.843 2.173 1.00 0.00 C ATOM 595 CD2 LEU A 37 2.649 -3.806 0.886 1.00 0.00 C ATOM 0 H LEU A 37 6.538 -0.607 2.201 1.00 0.00 H new ATOM 0 HA LEU A 37 3.917 -0.873 3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.159 -1.458 0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.004 -2.878 1.585 1.00 0.00 H new ATOM 0 HG LEU A 37 2.964 -3.432 2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.839 -2.371 2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.967 -1.201 3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.731 -1.234 1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.693 -4.307 1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.619 -3.247 -0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.445 -4.550 0.839 1.00 0.00 H new ATOM 607 N GLY A 38 5.096 -2.163 5.304 1.00 0.00 N ATOM 608 CA GLY A 38 5.700 -3.003 6.323 1.00 0.00 C ATOM 609 C GLY A 38 4.682 -3.872 7.034 1.00 0.00 C ATOM 610 O GLY A 38 3.615 -3.399 7.424 1.00 0.00 O ATOM 0 H GLY A 38 4.389 -1.513 5.648 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.458 -3.638 5.864 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.210 -2.374 7.053 1.00 0.00 H new ATOM 614 N TYR A 39 5.012 -5.148 7.203 1.00 0.00 N ATOM 615 CA TYR A 39 4.117 -6.087 7.869 1.00 0.00 C ATOM 616 C TYR A 39 4.769 -6.666 9.121 1.00 0.00 C ATOM 617 O TYR A 39 5.916 -7.112 9.088 1.00 0.00 O ATOM 618 CB TYR A 39 3.728 -7.217 6.914 1.00 0.00 C ATOM 619 CG TYR A 39 4.899 -7.801 6.157 1.00 0.00 C ATOM 620 CD1 TYR A 39 5.671 -8.817 6.708 1.00 0.00 C ATOM 621 CD2 TYR A 39 5.234 -7.338 4.891 1.00 0.00 C ATOM 622 CE1 TYR A 39 6.743 -9.353 6.021 1.00 0.00 C ATOM 623 CE2 TYR A 39 6.303 -7.870 4.195 1.00 0.00 C ATOM 624 CZ TYR A 39 7.054 -8.876 4.765 1.00 0.00 C ATOM 625 OH TYR A 39 8.120 -9.409 4.076 1.00 0.00 O ATOM 0 H TYR A 39 5.892 -5.555 6.888 1.00 0.00 H new ATOM 0 HA TYR A 39 3.219 -5.546 8.166 1.00 0.00 H new ATOM 0 HB2 TYR A 39 3.242 -8.010 7.482 1.00 0.00 H new ATOM 0 HB3 TYR A 39 2.995 -6.841 6.200 1.00 0.00 H new ATOM 0 HD1 TYR A 39 5.429 -9.194 7.691 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.649 -6.549 4.443 1.00 0.00 H new ATOM 0 HE1 TYR A 39 7.334 -10.141 6.465 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.549 -7.500 3.211 1.00 0.00 H new ATOM 0 HH TYR A 39 8.203 -8.964 3.207 1.00 0.00 H new ATOM 635 N TYR A 40 4.028 -6.657 10.223 1.00 0.00 N ATOM 636 CA TYR A 40 4.532 -7.179 11.488 1.00 0.00 C ATOM 637 C TYR A 40 3.728 -8.397 11.934 1.00 0.00 C ATOM 638 O TYR A 40 2.622 -8.636 11.450 1.00 0.00 O ATOM 639 CB TYR A 40 4.481 -6.097 12.567 1.00 0.00 C ATOM 640 CG TYR A 40 5.205 -4.825 12.185 1.00 0.00 C ATOM 641 CD1 TYR A 40 4.746 -4.028 11.144 1.00 0.00 C ATOM 642 CD2 TYR A 40 6.348 -4.422 12.864 1.00 0.00 C ATOM 643 CE1 TYR A 40 5.404 -2.866 10.790 1.00 0.00 C ATOM 644 CE2 TYR A 40 7.012 -3.261 12.518 1.00 0.00 C ATOM 645 CZ TYR A 40 6.536 -2.486 11.480 1.00 0.00 C ATOM 646 OH TYR A 40 7.195 -1.330 11.132 1.00 0.00 O ATOM 0 H TYR A 40 3.076 -6.294 10.266 1.00 0.00 H new ATOM 0 HA TYR A 40 5.568 -7.485 11.339 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.439 -5.861 12.784 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.916 -6.491 13.485 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.859 -4.322 10.602 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.724 -5.027 13.676 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.034 -2.259 9.977 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.899 -2.961 13.057 1.00 0.00 H new ATOM 0 HH TYR A 40 7.971 -1.207 11.717 1.00 0.00 H new ATOM 656 N HIS A 41 4.293 -9.163 12.861 1.00 0.00 N ATOM 657 CA HIS A 41 3.630 -10.356 13.375 1.00 0.00 C ATOM 658 C HIS A 41 2.155 -10.080 13.655 1.00 0.00 C ATOM 659 O HIS A 41 1.283 -10.855 13.262 1.00 0.00 O ATOM 660 CB HIS A 41 4.320 -10.840 14.651 1.00 0.00 C ATOM 661 CG HIS A 41 5.749 -11.241 14.443 1.00 0.00 C ATOM 662 ND1 HIS A 41 6.626 -10.916 13.464 1.00 0.00 N flip ATOM 663 CD2 HIS A 41 6.428 -12.077 15.303 1.00 0.00 C flip ATOM 664 CE1 HIS A 41 7.808 -11.555 13.749 1.00 0.00 C flip ATOM 665 NE2 HIS A 41 7.662 -12.248 14.863 1.00 0.00 N flip ATOM 0 H HIS A 41 5.208 -8.979 13.272 1.00 0.00 H new ATOM 0 HA HIS A 41 3.699 -11.135 12.616 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.278 -10.049 15.400 1.00 0.00 H new ATOM 0 HB3 HIS A 41 3.768 -11.689 15.054 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.016 -12.522 16.196 1.00 0.00 H new ATOM 0 HE1 HIS A 41 8.710 -11.499 13.158 1.00 0.00 H new ATOM 0 HE2 HIS A 41 8.380 -12.819 15.309 1.00 0.00 H new ATOM 674 N ASP A 42 1.885 -8.971 14.336 1.00 0.00 N ATOM 675 CA ASP A 42 0.516 -8.593 14.668 1.00 0.00 C ATOM 676 C ASP A 42 0.346 -7.078 14.624 1.00 0.00 C ATOM 677 O ASP A 42 1.325 -6.335 14.564 1.00 0.00 O ATOM 678 CB ASP A 42 0.140 -9.121 16.053 1.00 0.00 C ATOM 679 CG ASP A 42 0.730 -10.490 16.330 1.00 0.00 C ATOM 680 OD1 ASP A 42 1.962 -10.642 16.200 1.00 0.00 O ATOM 681 OD2 ASP A 42 -0.042 -11.409 16.678 1.00 0.00 O ATOM 0 H ASP A 42 2.595 -8.319 14.668 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.148 -9.037 13.926 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.485 -8.419 16.812 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.946 -9.173 16.137 1.00 0.00 H new ATOM 686 N GLU A 43 -0.904 -6.627 14.653 1.00 0.00 N ATOM 687 CA GLU A 43 -1.202 -5.200 14.615 1.00 0.00 C ATOM 688 C GLU A 43 -0.146 -4.403 15.375 1.00 0.00 C ATOM 689 O GLU A 43 0.299 -3.348 14.921 1.00 0.00 O ATOM 690 CB GLU A 43 -2.586 -4.928 15.208 1.00 0.00 C ATOM 691 CG GLU A 43 -3.026 -3.479 15.088 1.00 0.00 C ATOM 692 CD GLU A 43 -4.240 -3.166 15.942 1.00 0.00 C ATOM 693 OE1 GLU A 43 -4.291 -3.637 17.097 1.00 0.00 O ATOM 694 OE2 GLU A 43 -5.138 -2.448 15.454 1.00 0.00 O ATOM 0 H GLU A 43 -1.726 -7.229 14.703 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.193 -4.882 13.573 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.317 -5.563 14.708 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.583 -5.212 16.260 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.203 -2.828 15.381 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.253 -3.257 14.045 1.00 0.00 H new ATOM 701 N THR A 44 0.252 -4.915 16.535 1.00 0.00 N ATOM 702 CA THR A 44 1.254 -4.252 17.360 1.00 0.00 C ATOM 703 C THR A 44 2.624 -4.283 16.692 1.00 0.00 C ATOM 704 O THR A 44 3.413 -5.201 16.912 1.00 0.00 O ATOM 705 CB THR A 44 1.360 -4.906 18.751 1.00 0.00 C ATOM 706 OG1 THR A 44 1.741 -6.280 18.618 1.00 0.00 O ATOM 707 CG2 THR A 44 0.036 -4.811 19.495 1.00 0.00 C ATOM 0 H THR A 44 -0.105 -5.788 16.925 1.00 0.00 H new ATOM 0 HA THR A 44 0.932 -3.217 17.477 1.00 0.00 H new ATOM 0 HB THR A 44 2.119 -4.373 19.323 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.546 -6.344 18.062 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.135 -5.279 20.474 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.237 -3.763 19.620 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.739 -5.323 18.925 1.00 0.00 H new ATOM 715 N ALA A 45 2.901 -3.272 15.875 1.00 0.00 N ATOM 716 CA ALA A 45 4.178 -3.182 15.176 1.00 0.00 C ATOM 717 C ALA A 45 5.345 -3.232 16.157 1.00 0.00 C ATOM 718 O ALA A 45 5.813 -2.198 16.631 1.00 0.00 O ATOM 719 CB ALA A 45 4.237 -1.908 14.347 1.00 0.00 C ATOM 0 H ALA A 45 2.259 -2.504 15.681 1.00 0.00 H new ATOM 0 HA ALA A 45 4.261 -4.040 14.509 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.195 -1.854 13.831 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.430 -1.913 13.614 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.128 -1.043 15.001 1.00 0.00 H new ATOM 725 N GLN A 46 5.808 -4.441 16.456 1.00 0.00 N ATOM 726 CA GLN A 46 6.920 -4.625 17.382 1.00 0.00 C ATOM 727 C GLN A 46 8.009 -5.491 16.759 1.00 0.00 C ATOM 728 O GLN A 46 9.186 -5.130 16.772 1.00 0.00 O ATOM 729 CB GLN A 46 6.427 -5.262 18.683 1.00 0.00 C ATOM 730 CG GLN A 46 5.398 -4.421 19.420 1.00 0.00 C ATOM 731 CD GLN A 46 5.900 -3.026 19.735 1.00 0.00 C ATOM 732 OE1 GLN A 46 7.096 -2.816 19.939 1.00 0.00 O ATOM 733 NE2 GLN A 46 4.987 -2.062 19.775 1.00 0.00 N ATOM 0 H GLN A 46 5.431 -5.307 16.071 1.00 0.00 H new ATOM 0 HA GLN A 46 7.343 -3.645 17.603 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.994 -6.237 18.459 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.280 -5.435 19.339 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.493 -4.349 18.816 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.123 -4.922 20.348 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.006 -2.281 19.600 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.267 -1.103 19.981 1.00 0.00 H new ATOM 742 N ASP A 47 7.610 -6.635 16.214 1.00 0.00 N ATOM 743 CA ASP A 47 8.552 -7.553 15.585 1.00 0.00 C ATOM 744 C ASP A 47 8.705 -7.242 14.100 1.00 0.00 C ATOM 745 O ASP A 47 8.119 -7.915 13.252 1.00 0.00 O ATOM 746 CB ASP A 47 8.090 -8.999 15.771 1.00 0.00 C ATOM 747 CG ASP A 47 7.719 -9.308 17.209 1.00 0.00 C ATOM 748 OD1 ASP A 47 8.637 -9.555 18.018 1.00 0.00 O ATOM 749 OD2 ASP A 47 6.510 -9.304 17.523 1.00 0.00 O ATOM 0 H ASP A 47 6.640 -6.949 16.195 1.00 0.00 H new ATOM 0 HA ASP A 47 9.522 -7.425 16.066 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.230 -9.188 15.128 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.883 -9.675 15.450 1.00 0.00 H new ATOM 754 N GLU A 48 9.494 -6.217 13.793 1.00 0.00 N ATOM 755 CA GLU A 48 9.721 -5.816 12.409 1.00 0.00 C ATOM 756 C GLU A 48 10.183 -7.003 11.568 1.00 0.00 C ATOM 757 O GLU A 48 11.320 -7.457 11.690 1.00 0.00 O ATOM 758 CB GLU A 48 10.760 -4.695 12.344 1.00 0.00 C ATOM 759 CG GLU A 48 10.979 -4.149 10.943 1.00 0.00 C ATOM 760 CD GLU A 48 12.354 -3.536 10.764 1.00 0.00 C ATOM 761 OE1 GLU A 48 12.769 -2.742 11.634 1.00 0.00 O ATOM 762 OE2 GLU A 48 13.016 -3.851 9.752 1.00 0.00 O ATOM 0 H GLU A 48 9.986 -5.650 14.483 1.00 0.00 H new ATOM 0 HA GLU A 48 8.778 -5.451 12.003 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.445 -3.881 12.997 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.708 -5.067 12.732 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.847 -4.953 10.219 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.219 -3.398 10.727 1.00 0.00 H new ATOM 769 N GLU A 49 9.291 -7.498 10.715 1.00 0.00 N ATOM 770 CA GLU A 49 9.607 -8.633 9.855 1.00 0.00 C ATOM 771 C GLU A 49 10.302 -8.170 8.577 1.00 0.00 C ATOM 772 O GLU A 49 11.355 -8.689 8.208 1.00 0.00 O ATOM 773 CB GLU A 49 8.334 -9.405 9.505 1.00 0.00 C ATOM 774 CG GLU A 49 8.580 -10.870 9.184 1.00 0.00 C ATOM 775 CD GLU A 49 9.799 -11.079 8.307 1.00 0.00 C ATOM 776 OE1 GLU A 49 10.929 -11.011 8.835 1.00 0.00 O ATOM 777 OE2 GLU A 49 9.623 -11.310 7.092 1.00 0.00 O ATOM 0 H GLU A 49 8.346 -7.132 10.601 1.00 0.00 H new ATOM 0 HA GLU A 49 10.285 -9.291 10.399 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.637 -9.337 10.340 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.854 -8.930 8.649 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.706 -11.425 10.113 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.703 -11.281 8.684 1.00 0.00 H new ATOM 784 N ASP A 50 9.704 -7.191 7.908 1.00 0.00 N ATOM 785 CA ASP A 50 10.264 -6.657 6.672 1.00 0.00 C ATOM 786 C ASP A 50 9.516 -5.401 6.234 1.00 0.00 C ATOM 787 O ASP A 50 8.474 -5.061 6.794 1.00 0.00 O ATOM 788 CB ASP A 50 10.210 -7.710 5.565 1.00 0.00 C ATOM 789 CG ASP A 50 11.385 -8.667 5.617 1.00 0.00 C ATOM 790 OD1 ASP A 50 12.539 -8.194 5.540 1.00 0.00 O ATOM 791 OD2 ASP A 50 11.151 -9.887 5.736 1.00 0.00 O ATOM 0 H ASP A 50 8.832 -6.751 8.201 1.00 0.00 H new ATOM 0 HA ASP A 50 11.305 -6.392 6.859 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.282 -8.275 5.650 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.193 -7.213 4.595 1.00 0.00 H new ATOM 796 N ARG A 51 10.056 -4.717 5.231 1.00 0.00 N ATOM 797 CA ARG A 51 9.441 -3.498 4.719 1.00 0.00 C ATOM 798 C ARG A 51 9.841 -3.255 3.267 1.00 0.00 C ATOM 799 O ARG A 51 11.026 -3.177 2.943 1.00 0.00 O ATOM 800 CB ARG A 51 9.844 -2.298 5.578 1.00 0.00 C ATOM 801 CG ARG A 51 9.161 -1.002 5.174 1.00 0.00 C ATOM 802 CD ARG A 51 9.776 0.196 5.881 1.00 0.00 C ATOM 803 NE ARG A 51 9.141 0.455 7.170 1.00 0.00 N ATOM 804 CZ ARG A 51 9.467 -0.178 8.292 1.00 0.00 C ATOM 805 NH1 ARG A 51 10.417 -1.103 8.282 1.00 0.00 N ATOM 806 NH2 ARG A 51 8.844 0.114 9.426 1.00 0.00 N ATOM 0 H ARG A 51 10.918 -4.986 4.757 1.00 0.00 H new ATOM 0 HA ARG A 51 8.359 -3.621 4.764 1.00 0.00 H new ATOM 0 HB2 ARG A 51 9.609 -2.513 6.620 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.924 -2.164 5.516 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.240 -0.869 4.095 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.099 -1.060 5.411 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.842 0.021 6.030 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.683 1.078 5.247 1.00 0.00 H new ATOM 0 HE ARG A 51 8.406 1.161 7.212 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.899 -1.330 7.412 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.666 -1.588 9.144 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.113 0.826 9.438 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.096 -0.373 10.286 1.00 0.00 H new ATOM 820 N VAL A 52 8.844 -3.136 2.396 1.00 0.00 N ATOM 821 CA VAL A 52 9.092 -2.902 0.978 1.00 0.00 C ATOM 822 C VAL A 52 8.696 -1.485 0.578 1.00 0.00 C ATOM 823 O VAL A 52 8.099 -0.750 1.365 1.00 0.00 O ATOM 824 CB VAL A 52 8.322 -3.906 0.100 1.00 0.00 C ATOM 825 CG1 VAL A 52 8.815 -5.323 0.351 1.00 0.00 C ATOM 826 CG2 VAL A 52 6.826 -3.800 0.357 1.00 0.00 C ATOM 0 H VAL A 52 7.857 -3.198 2.647 1.00 0.00 H new ATOM 0 HA VAL A 52 10.162 -3.037 0.817 1.00 0.00 H new ATOM 0 HB VAL A 52 8.506 -3.663 -0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.259 -6.018 -0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.877 -5.387 0.112 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.663 -5.581 1.399 1.00 0.00 H new ATOM 0 HG21 VAL A 52 6.297 -4.516 -0.272 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.621 -4.016 1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.487 -2.791 0.122 1.00 0.00 H new ATOM 836 N VAL A 53 9.030 -1.107 -0.652 1.00 0.00 N ATOM 837 CA VAL A 53 8.708 0.221 -1.158 1.00 0.00 C ATOM 838 C VAL A 53 7.426 0.199 -1.982 1.00 0.00 C ATOM 839 O VAL A 53 7.215 -0.699 -2.797 1.00 0.00 O ATOM 840 CB VAL A 53 9.851 0.785 -2.022 1.00 0.00 C ATOM 841 CG1 VAL A 53 9.513 2.187 -2.507 1.00 0.00 C ATOM 842 CG2 VAL A 53 11.158 0.782 -1.244 1.00 0.00 C ATOM 0 H VAL A 53 9.524 -1.703 -1.316 1.00 0.00 H new ATOM 0 HA VAL A 53 8.567 0.865 -0.290 1.00 0.00 H new ATOM 0 HB VAL A 53 9.973 0.144 -2.895 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.333 2.569 -3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.602 2.156 -3.104 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.362 2.842 -1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 53 11.955 1.184 -1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 53 11.052 1.399 -0.352 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.405 -0.239 -0.952 1.00 0.00 H new ATOM 852 N ILE A 54 6.572 1.194 -1.765 1.00 0.00 N ATOM 853 CA ILE A 54 5.311 1.289 -2.489 1.00 0.00 C ATOM 854 C ILE A 54 5.342 2.430 -3.500 1.00 0.00 C ATOM 855 O ILE A 54 4.868 2.289 -4.628 1.00 0.00 O ATOM 856 CB ILE A 54 4.125 1.501 -1.529 1.00 0.00 C ATOM 857 CG1 ILE A 54 3.942 0.276 -0.632 1.00 0.00 C ATOM 858 CG2 ILE A 54 2.853 1.786 -2.314 1.00 0.00 C ATOM 859 CD1 ILE A 54 3.382 -0.927 -1.359 1.00 0.00 C ATOM 0 H ILE A 54 6.731 1.945 -1.094 1.00 0.00 H new ATOM 0 HA ILE A 54 5.178 0.344 -3.015 1.00 0.00 H new ATOM 0 HB ILE A 54 4.338 2.362 -0.896 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.904 0.010 -0.193 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.277 0.535 0.192 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.024 1.934 -1.622 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.990 2.686 -2.914 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.633 0.943 -2.969 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.279 -1.758 -0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.405 -0.679 -1.775 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.058 -1.212 -2.165 1.00 0.00 H new ATOM 871 N HIS A 55 5.906 3.562 -3.089 1.00 0.00 N ATOM 872 CA HIS A 55 6.002 4.728 -3.960 1.00 0.00 C ATOM 873 C HIS A 55 6.585 4.346 -5.317 1.00 0.00 C ATOM 874 O HIS A 55 7.718 3.872 -5.406 1.00 0.00 O ATOM 875 CB HIS A 55 6.864 5.809 -3.307 1.00 0.00 C ATOM 876 CG HIS A 55 7.213 6.936 -4.230 1.00 0.00 C ATOM 877 ND1 HIS A 55 8.064 6.987 -5.282 1.00 0.00 N flip ATOM 878 CD2 HIS A 55 6.663 8.196 -4.123 1.00 0.00 C flip ATOM 879 CE1 HIS A 55 8.012 8.263 -5.786 1.00 0.00 C flip ATOM 880 NE2 HIS A 55 7.159 8.973 -5.069 1.00 0.00 N flip ATOM 0 H HIS A 55 6.303 3.696 -2.159 1.00 0.00 H new ATOM 0 HA HIS A 55 4.997 5.120 -4.114 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.336 6.209 -2.442 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.783 5.355 -2.938 1.00 0.00 H new ATOM 0 HD2 HIS A 55 5.939 8.500 -3.381 1.00 0.00 H new ATOM 0 HE1 HIS A 55 8.577 8.627 -6.631 1.00 0.00 H new ATOM 0 HE2 HIS A 55 6.924 9.954 -5.220 1.00 0.00 H new ATOM 889 N PHE A 56 5.804 4.556 -6.372 1.00 0.00 N ATOM 890 CA PHE A 56 6.243 4.232 -7.724 1.00 0.00 C ATOM 891 C PHE A 56 7.064 2.946 -7.736 1.00 0.00 C ATOM 892 O PHE A 56 8.088 2.856 -8.413 1.00 0.00 O ATOM 893 CB PHE A 56 7.068 5.382 -8.305 1.00 0.00 C ATOM 894 CG PHE A 56 6.237 6.432 -8.986 1.00 0.00 C ATOM 895 CD1 PHE A 56 5.688 6.195 -10.236 1.00 0.00 C ATOM 896 CD2 PHE A 56 6.004 7.654 -8.376 1.00 0.00 C ATOM 897 CE1 PHE A 56 4.923 7.160 -10.866 1.00 0.00 C ATOM 898 CE2 PHE A 56 5.240 8.622 -9.001 1.00 0.00 C ATOM 899 CZ PHE A 56 4.698 8.374 -10.247 1.00 0.00 C ATOM 0 H PHE A 56 4.864 4.949 -6.316 1.00 0.00 H new ATOM 0 HA PHE A 56 5.357 4.082 -8.340 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.642 5.848 -7.504 1.00 0.00 H new ATOM 0 HB3 PHE A 56 7.786 4.979 -9.019 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.859 5.247 -10.724 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.424 7.853 -7.401 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.502 6.964 -11.841 1.00 0.00 H new ATOM 0 HE2 PHE A 56 5.067 9.571 -8.515 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.099 9.128 -10.736 1.00 0.00 H new ATOM 909 N ASN A 57 6.607 1.952 -6.981 1.00 0.00 N ATOM 910 CA ASN A 57 7.299 0.671 -6.903 1.00 0.00 C ATOM 911 C ASN A 57 6.375 -0.473 -7.312 1.00 0.00 C ATOM 912 O ASN A 57 6.828 -1.585 -7.583 1.00 0.00 O ATOM 913 CB ASN A 57 7.823 0.435 -5.485 1.00 0.00 C ATOM 914 CG ASN A 57 9.062 -0.438 -5.464 1.00 0.00 C ATOM 915 OD1 ASN A 57 8.940 -1.624 -4.879 1.00 0.00 O flip ATOM 916 ND2 ASN A 57 10.117 -0.051 -5.967 1.00 0.00 N flip ATOM 0 H ASN A 57 5.761 2.009 -6.415 1.00 0.00 H new ATOM 0 HA ASN A 57 8.141 0.700 -7.594 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.050 1.394 -5.020 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.042 -0.033 -4.885 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.165 0.868 -6.406 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.943 -0.650 -5.944 1.00 0.00 H new ATOM 923 N VAL A 58 5.077 -0.190 -7.355 1.00 0.00 N ATOM 924 CA VAL A 58 4.089 -1.194 -7.733 1.00 0.00 C ATOM 925 C VAL A 58 3.981 -1.316 -9.248 1.00 0.00 C ATOM 926 O VAL A 58 3.241 -0.570 -9.891 1.00 0.00 O ATOM 927 CB VAL A 58 2.700 -0.859 -7.156 1.00 0.00 C ATOM 928 CG1 VAL A 58 1.652 -1.820 -7.694 1.00 0.00 C ATOM 929 CG2 VAL A 58 2.734 -0.890 -5.635 1.00 0.00 C ATOM 0 H VAL A 58 4.685 0.725 -7.133 1.00 0.00 H new ATOM 0 HA VAL A 58 4.428 -2.143 -7.318 1.00 0.00 H new ATOM 0 HB VAL A 58 2.428 0.149 -7.470 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.678 -1.568 -7.275 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.611 -1.743 -8.780 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.915 -2.840 -7.412 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.745 -0.651 -5.244 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.027 -1.884 -5.298 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.454 -0.157 -5.272 1.00 0.00 H new ATOM 939 N ARG A 59 4.724 -2.262 -9.814 1.00 0.00 N ATOM 940 CA ARG A 59 4.713 -2.482 -11.255 1.00 0.00 C ATOM 941 C ARG A 59 3.338 -2.951 -11.723 1.00 0.00 C ATOM 942 O ARG A 59 2.802 -2.448 -12.711 1.00 0.00 O ATOM 943 CB ARG A 59 5.775 -3.512 -11.644 1.00 0.00 C ATOM 944 CG ARG A 59 5.857 -3.768 -13.140 1.00 0.00 C ATOM 945 CD ARG A 59 7.220 -4.310 -13.538 1.00 0.00 C ATOM 946 NE ARG A 59 7.393 -4.347 -14.988 1.00 0.00 N ATOM 947 CZ ARG A 59 8.386 -4.988 -15.594 1.00 0.00 C ATOM 948 NH1 ARG A 59 9.290 -5.643 -14.879 1.00 0.00 N ATOM 949 NH2 ARG A 59 8.475 -4.976 -16.918 1.00 0.00 N ATOM 0 H ARG A 59 5.341 -2.888 -9.296 1.00 0.00 H new ATOM 0 HA ARG A 59 4.940 -1.534 -11.743 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.747 -3.171 -11.289 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.561 -4.452 -11.134 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.083 -4.477 -13.432 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.661 -2.842 -13.680 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.000 -3.690 -13.096 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.343 -5.314 -13.133 1.00 0.00 H new ATOM 0 HE ARG A 59 6.714 -3.853 -15.567 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.224 -5.655 -13.861 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.052 -6.135 -15.347 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.780 -4.474 -17.471 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.238 -5.469 -17.382 1.00 0.00 H new ATOM 963 N ASP A 60 2.773 -3.917 -11.007 1.00 0.00 N ATOM 964 CA ASP A 60 1.461 -4.455 -11.348 1.00 0.00 C ATOM 965 C ASP A 60 0.824 -5.138 -10.143 1.00 0.00 C ATOM 966 O ASP A 60 1.508 -5.480 -9.177 1.00 0.00 O ATOM 967 CB ASP A 60 1.577 -5.444 -12.509 1.00 0.00 C ATOM 968 CG ASP A 60 1.914 -4.761 -13.820 1.00 0.00 C ATOM 969 OD1 ASP A 60 1.052 -4.026 -14.344 1.00 0.00 O ATOM 970 OD2 ASP A 60 3.039 -4.964 -14.323 1.00 0.00 O ATOM 0 H ASP A 60 3.203 -4.344 -10.186 1.00 0.00 H new ATOM 0 HA ASP A 60 0.823 -3.625 -11.651 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.346 -6.181 -12.279 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.637 -5.986 -12.616 1.00 0.00 H new ATOM 975 N ILE A 61 -0.489 -5.334 -10.205 1.00 0.00 N ATOM 976 CA ILE A 61 -1.218 -5.976 -9.119 1.00 0.00 C ATOM 977 C ILE A 61 -2.303 -6.902 -9.657 1.00 0.00 C ATOM 978 O ILE A 61 -3.194 -6.473 -10.391 1.00 0.00 O ATOM 979 CB ILE A 61 -1.863 -4.938 -8.182 1.00 0.00 C ATOM 980 CG1 ILE A 61 -0.801 -4.299 -7.285 1.00 0.00 C ATOM 981 CG2 ILE A 61 -2.953 -5.587 -7.342 1.00 0.00 C ATOM 982 CD1 ILE A 61 -1.329 -3.161 -6.439 1.00 0.00 C ATOM 0 H ILE A 61 -1.070 -5.057 -10.997 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.492 -6.561 -8.554 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.318 -4.155 -8.789 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.382 -5.063 -6.631 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.014 -3.930 -7.907 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.399 -4.840 -6.685 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.721 -5.999 -7.997 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.521 -6.387 -6.741 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.522 -2.756 -5.829 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.722 -2.378 -7.087 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.125 -3.528 -5.791 1.00 0.00 H new ATOM 994 N LYS A 62 -2.224 -8.176 -9.286 1.00 0.00 N ATOM 995 CA LYS A 62 -3.201 -9.164 -9.728 1.00 0.00 C ATOM 996 C LYS A 62 -4.158 -9.527 -8.598 1.00 0.00 C ATOM 997 O LYS A 62 -3.731 -9.835 -7.485 1.00 0.00 O ATOM 998 CB LYS A 62 -2.491 -10.422 -10.234 1.00 0.00 C ATOM 999 CG LYS A 62 -1.539 -10.161 -11.388 1.00 0.00 C ATOM 1000 CD LYS A 62 -0.547 -11.300 -11.561 1.00 0.00 C ATOM 1001 CE LYS A 62 0.475 -10.989 -12.644 1.00 0.00 C ATOM 1002 NZ LYS A 62 1.485 -9.996 -12.185 1.00 0.00 N ATOM 0 H LYS A 62 -1.493 -8.548 -8.680 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.779 -8.728 -10.543 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.936 -10.872 -9.411 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.239 -11.149 -10.549 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.108 -10.030 -12.308 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.999 -9.231 -11.212 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.034 -11.484 -10.617 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.082 -12.215 -11.816 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.979 -11.908 -12.942 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.037 -10.605 -13.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.324 -10.046 -12.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.078 -9.040 -12.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.759 -10.208 -11.204 1.00 0.00 H new ATOM 1016 N VAL A 63 -5.454 -9.490 -8.890 1.00 0.00 N ATOM 1017 CA VAL A 63 -6.471 -9.817 -7.898 1.00 0.00 C ATOM 1018 C VAL A 63 -7.507 -10.778 -8.471 1.00 0.00 C ATOM 1019 O VAL A 63 -7.968 -10.610 -9.599 1.00 0.00 O ATOM 1020 CB VAL A 63 -7.186 -8.552 -7.389 1.00 0.00 C ATOM 1021 CG1 VAL A 63 -8.321 -8.923 -6.446 1.00 0.00 C ATOM 1022 CG2 VAL A 63 -6.197 -7.620 -6.705 1.00 0.00 C ATOM 0 H VAL A 63 -5.825 -9.237 -9.806 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.958 -10.295 -7.064 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.613 -8.028 -8.244 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.815 -8.016 -6.096 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.042 -9.549 -6.973 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.921 -9.470 -5.593 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.719 -6.731 -6.351 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.739 -8.133 -5.859 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.422 -7.328 -7.414 1.00 0.00 H new ATOM 1032 N GLY A 64 -7.871 -11.786 -7.684 1.00 0.00 N ATOM 1033 CA GLY A 64 -8.851 -12.758 -8.129 1.00 0.00 C ATOM 1034 C GLY A 64 -8.402 -13.509 -9.367 1.00 0.00 C ATOM 1035 O GLY A 64 -7.281 -14.013 -9.422 1.00 0.00 O ATOM 0 H GLY A 64 -7.504 -11.946 -6.746 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.043 -13.470 -7.326 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.793 -12.251 -8.337 1.00 0.00 H new ATOM 1039 N GLN A 65 -9.280 -13.584 -10.363 1.00 0.00 N ATOM 1040 CA GLN A 65 -8.968 -14.281 -11.605 1.00 0.00 C ATOM 1041 C GLN A 65 -7.533 -14.001 -12.040 1.00 0.00 C ATOM 1042 O GLN A 65 -6.787 -14.919 -12.377 1.00 0.00 O ATOM 1043 CB GLN A 65 -9.940 -13.861 -12.708 1.00 0.00 C ATOM 1044 CG GLN A 65 -10.013 -14.847 -13.862 1.00 0.00 C ATOM 1045 CD GLN A 65 -10.946 -14.387 -14.965 1.00 0.00 C ATOM 1046 OE1 GLN A 65 -12.010 -14.970 -15.178 1.00 0.00 O ATOM 1047 NE2 GLN A 65 -10.553 -13.336 -15.674 1.00 0.00 N ATOM 0 H GLN A 65 -10.212 -13.171 -10.334 1.00 0.00 H new ATOM 0 HA GLN A 65 -9.072 -15.352 -11.428 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.935 -13.743 -12.279 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.641 -12.886 -13.092 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.014 -14.993 -14.274 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.348 -15.814 -13.488 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.664 -12.883 -15.464 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.140 -12.982 -16.429 1.00 0.00 H new ATOM 1056 N GLU A 66 -7.155 -12.726 -12.031 1.00 0.00 N ATOM 1057 CA GLU A 66 -5.810 -12.326 -12.427 1.00 0.00 C ATOM 1058 C GLU A 66 -4.786 -13.380 -12.017 1.00 0.00 C ATOM 1059 O GLU A 66 -3.848 -13.672 -12.761 1.00 0.00 O ATOM 1060 CB GLU A 66 -5.450 -10.978 -11.798 1.00 0.00 C ATOM 1061 CG GLU A 66 -6.383 -9.849 -12.202 1.00 0.00 C ATOM 1062 CD GLU A 66 -5.718 -8.488 -12.129 1.00 0.00 C ATOM 1063 OE1 GLU A 66 -4.645 -8.319 -12.747 1.00 0.00 O ATOM 1064 OE2 GLU A 66 -6.268 -7.593 -11.454 1.00 0.00 O ATOM 0 H GLU A 66 -7.761 -11.954 -11.754 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.792 -12.230 -13.513 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.463 -11.078 -10.713 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.431 -10.715 -12.082 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.738 -10.022 -13.218 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.259 -9.857 -11.553 1.00 0.00 H new ATOM 1071 N CYS A 67 -4.972 -13.948 -10.831 1.00 0.00 N ATOM 1072 CA CYS A 67 -4.065 -14.970 -10.321 1.00 0.00 C ATOM 1073 C CYS A 67 -3.585 -15.881 -11.446 1.00 0.00 C ATOM 1074 O CYS A 67 -4.303 -16.113 -12.418 1.00 0.00 O ATOM 1075 CB CYS A 67 -4.754 -15.798 -9.236 1.00 0.00 C ATOM 1076 SG CYS A 67 -6.060 -16.885 -9.855 1.00 0.00 S ATOM 0 H CYS A 67 -5.743 -13.718 -10.204 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.199 -14.469 -9.889 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.005 -16.402 -8.725 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -5.180 -15.123 -8.494 1.00 0.00 H new ATOM 0 HG CYS A 67 -6.577 -16.373 -10.932 1.00 0.00 H new ATOM 1144 N PRO A 72 -5.389 -20.313 -3.288 1.00 0.00 N ATOM 1145 CA PRO A 72 -5.903 -19.881 -1.985 1.00 0.00 C ATOM 1146 C PRO A 72 -5.805 -20.979 -0.930 1.00 0.00 C ATOM 1147 O PRO A 72 -5.843 -22.171 -1.235 1.00 0.00 O ATOM 1148 CB PRO A 72 -7.368 -19.547 -2.274 1.00 0.00 C ATOM 1149 CG PRO A 72 -7.717 -20.373 -3.464 1.00 0.00 C ATOM 1150 CD PRO A 72 -6.462 -20.468 -4.285 1.00 0.00 C ATOM 0 HA PRO A 72 -5.333 -19.045 -1.579 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.005 -19.790 -1.423 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.499 -18.484 -2.477 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.063 -21.362 -3.164 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.523 -19.913 -4.035 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.393 -21.424 -4.804 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.419 -19.688 -5.046 1.00 0.00 H new ATOM 1158 N PRO A 73 -5.676 -20.569 0.341 1.00 0.00 N ATOM 1159 CA PRO A 73 -5.572 -21.503 1.466 1.00 0.00 C ATOM 1160 C PRO A 73 -6.880 -22.239 1.732 1.00 0.00 C ATOM 1161 O PRO A 73 -7.809 -22.184 0.926 1.00 0.00 O ATOM 1162 CB PRO A 73 -5.218 -20.596 2.647 1.00 0.00 C ATOM 1163 CG PRO A 73 -5.756 -19.258 2.272 1.00 0.00 C ATOM 1164 CD PRO A 73 -5.624 -19.164 0.777 1.00 0.00 C ATOM 0 HA PRO A 73 -4.839 -22.288 1.278 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.666 -20.958 3.572 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.141 -20.558 2.808 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.797 -19.156 2.579 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.198 -18.461 2.764 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.431 -18.577 0.338 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.688 -18.687 0.485 1.00 0.00 H new ATOM 1172 N GLU A 74 -6.946 -22.927 2.868 1.00 0.00 N ATOM 1173 CA GLU A 74 -8.142 -23.674 3.239 1.00 0.00 C ATOM 1174 C GLU A 74 -9.206 -22.746 3.817 1.00 0.00 C ATOM 1175 O GLU A 74 -9.060 -22.230 4.924 1.00 0.00 O ATOM 1176 CB GLU A 74 -7.795 -24.765 4.254 1.00 0.00 C ATOM 1177 CG GLU A 74 -8.824 -25.881 4.326 1.00 0.00 C ATOM 1178 CD GLU A 74 -9.259 -26.362 2.955 1.00 0.00 C ATOM 1179 OE1 GLU A 74 -10.104 -25.688 2.330 1.00 0.00 O ATOM 1180 OE2 GLU A 74 -8.753 -27.413 2.508 1.00 0.00 O ATOM 0 H GLU A 74 -6.186 -22.982 3.546 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.542 -24.140 2.338 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.826 -25.192 3.998 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.693 -24.312 5.240 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.408 -26.719 4.886 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.696 -25.531 4.878 1.00 0.00 H new ATOM 1187 N GLY A 75 -10.278 -22.538 3.058 1.00 0.00 N ATOM 1188 CA GLY A 75 -11.351 -21.672 3.511 1.00 0.00 C ATOM 1189 C GLY A 75 -11.540 -20.466 2.613 1.00 0.00 C ATOM 1190 O GLY A 75 -12.661 -20.155 2.208 1.00 0.00 O ATOM 0 H GLY A 75 -10.422 -22.954 2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.280 -22.240 3.551 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.139 -21.336 4.526 1.00 0.00 H new ATOM 1194 N ARG A 76 -10.443 -19.784 2.302 1.00 0.00 N ATOM 1195 CA ARG A 76 -10.494 -18.603 1.448 1.00 0.00 C ATOM 1196 C ARG A 76 -10.938 -18.972 0.035 1.00 0.00 C ATOM 1197 O ARG A 76 -11.007 -20.150 -0.317 1.00 0.00 O ATOM 1198 CB ARG A 76 -9.125 -17.921 1.402 1.00 0.00 C ATOM 1199 CG ARG A 76 -8.837 -17.053 2.616 1.00 0.00 C ATOM 1200 CD ARG A 76 -9.275 -17.732 3.904 1.00 0.00 C ATOM 1201 NE ARG A 76 -9.021 -16.899 5.076 1.00 0.00 N ATOM 1202 CZ ARG A 76 -9.488 -17.174 6.289 1.00 0.00 C ATOM 1203 NH1 ARG A 76 -10.230 -18.255 6.487 1.00 0.00 N ATOM 1204 NH2 ARG A 76 -9.214 -16.367 7.306 1.00 0.00 N ATOM 0 H ARG A 76 -9.508 -20.029 2.628 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.223 -17.912 1.870 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.351 -18.684 1.319 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.064 -17.307 0.504 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -7.770 -16.835 2.663 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.353 -16.099 2.513 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.339 -17.964 3.848 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.747 -18.680 4.012 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.454 -16.060 4.957 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.443 -18.877 5.707 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -10.588 -18.464 7.419 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.644 -15.534 7.157 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -9.573 -16.579 8.237 1.00 0.00 H new ATOM 1218 N SER A 77 -11.238 -17.957 -0.769 1.00 0.00 N ATOM 1219 CA SER A 77 -11.679 -18.175 -2.142 1.00 0.00 C ATOM 1220 C SER A 77 -10.652 -17.638 -3.134 1.00 0.00 C ATOM 1221 O SER A 77 -9.903 -16.710 -2.829 1.00 0.00 O ATOM 1222 CB SER A 77 -13.032 -17.502 -2.378 1.00 0.00 C ATOM 1223 OG SER A 77 -13.188 -17.131 -3.737 1.00 0.00 O ATOM 0 H SER A 77 -11.184 -16.976 -0.494 1.00 0.00 H new ATOM 0 HA SER A 77 -11.783 -19.249 -2.298 1.00 0.00 H new ATOM 0 HB2 SER A 77 -13.834 -18.181 -2.089 1.00 0.00 H new ATOM 0 HB3 SER A 77 -13.118 -16.619 -1.745 1.00 0.00 H new ATOM 0 HG SER A 77 -14.061 -16.704 -3.861 1.00 0.00 H new ATOM 1229 N ARG A 78 -10.622 -18.230 -4.324 1.00 0.00 N ATOM 1230 CA ARG A 78 -9.687 -17.814 -5.362 1.00 0.00 C ATOM 1231 C ARG A 78 -9.921 -16.357 -5.751 1.00 0.00 C ATOM 1232 O ARG A 78 -9.128 -15.765 -6.484 1.00 0.00 O ATOM 1233 CB ARG A 78 -9.825 -18.711 -6.593 1.00 0.00 C ATOM 1234 CG ARG A 78 -9.043 -20.010 -6.491 1.00 0.00 C ATOM 1235 CD ARG A 78 -9.166 -20.836 -7.762 1.00 0.00 C ATOM 1236 NE ARG A 78 -10.439 -21.548 -7.830 1.00 0.00 N ATOM 1237 CZ ARG A 78 -10.717 -22.468 -8.748 1.00 0.00 C ATOM 1238 NH1 ARG A 78 -9.818 -22.785 -9.668 1.00 0.00 N ATOM 1239 NH2 ARG A 78 -11.898 -23.073 -8.745 1.00 0.00 N ATOM 0 H ARG A 78 -11.235 -19.000 -4.593 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.676 -17.909 -4.965 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.879 -18.942 -6.747 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.488 -18.162 -7.472 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.993 -19.790 -6.299 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.407 -20.589 -5.643 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.069 -20.183 -8.630 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.346 -21.553 -7.809 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.153 -21.328 -7.136 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.909 -22.323 -9.673 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.035 -23.492 -10.371 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.593 -22.832 -8.038 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.111 -23.779 -9.450 1.00 0.00 H new ATOM 1253 N ASP A 79 -11.014 -15.786 -5.258 1.00 0.00 N ATOM 1254 CA ASP A 79 -11.352 -14.399 -5.553 1.00 0.00 C ATOM 1255 C ASP A 79 -10.634 -13.449 -4.600 1.00 0.00 C ATOM 1256 O ASP A 79 -10.564 -12.245 -4.843 1.00 0.00 O ATOM 1257 CB ASP A 79 -12.864 -14.189 -5.459 1.00 0.00 C ATOM 1258 CG ASP A 79 -13.600 -14.724 -6.672 1.00 0.00 C ATOM 1259 OD1 ASP A 79 -13.736 -13.974 -7.661 1.00 0.00 O ATOM 1260 OD2 ASP A 79 -14.040 -15.892 -6.632 1.00 0.00 O ATOM 0 H ASP A 79 -11.682 -16.263 -4.652 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.025 -14.180 -6.569 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.241 -14.681 -4.563 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.074 -13.125 -5.350 1.00 0.00 H new ATOM 1265 N GLY A 80 -10.102 -14.000 -3.513 1.00 0.00 N ATOM 1266 CA GLY A 80 -9.397 -13.187 -2.539 1.00 0.00 C ATOM 1267 C GLY A 80 -7.929 -13.019 -2.878 1.00 0.00 C ATOM 1268 O GLY A 80 -7.261 -12.128 -2.352 1.00 0.00 O ATOM 0 H GLY A 80 -10.147 -14.994 -3.290 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.868 -12.206 -2.480 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.489 -13.644 -1.554 1.00 0.00 H new ATOM 1272 N LEU A 81 -7.424 -13.878 -3.757 1.00 0.00 N ATOM 1273 CA LEU A 81 -6.024 -13.822 -4.164 1.00 0.00 C ATOM 1274 C LEU A 81 -5.608 -12.390 -4.486 1.00 0.00 C ATOM 1275 O LEU A 81 -6.387 -11.616 -5.044 1.00 0.00 O ATOM 1276 CB LEU A 81 -5.790 -14.719 -5.380 1.00 0.00 C ATOM 1277 CG LEU A 81 -5.398 -16.166 -5.081 1.00 0.00 C ATOM 1278 CD1 LEU A 81 -6.083 -16.654 -3.814 1.00 0.00 C ATOM 1279 CD2 LEU A 81 -5.746 -17.067 -6.258 1.00 0.00 C ATOM 0 H LEU A 81 -7.963 -14.621 -4.201 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.415 -14.180 -3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.699 -14.727 -5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.007 -14.271 -5.992 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.320 -16.205 -4.925 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.792 -17.686 -3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.785 -16.026 -2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.164 -16.600 -3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.460 -18.093 -6.028 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.819 -17.023 -6.445 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.209 -16.731 -7.145 1.00 0.00 H new ATOM 1291 N LEU A 82 -4.375 -12.045 -4.134 1.00 0.00 N ATOM 1292 CA LEU A 82 -3.853 -10.706 -4.387 1.00 0.00 C ATOM 1293 C LEU A 82 -2.329 -10.717 -4.443 1.00 0.00 C ATOM 1294 O LEU A 82 -1.662 -11.051 -3.463 1.00 0.00 O ATOM 1295 CB LEU A 82 -4.328 -9.738 -3.302 1.00 0.00 C ATOM 1296 CG LEU A 82 -3.541 -8.433 -3.176 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -4.033 -7.413 -4.190 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -3.651 -7.879 -1.763 1.00 0.00 C ATOM 0 H LEU A 82 -3.717 -12.674 -3.672 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.231 -10.372 -5.353 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.372 -9.492 -3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.294 -10.254 -2.342 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.491 -8.642 -3.382 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.461 -6.491 -4.085 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.902 -7.809 -5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.089 -7.207 -4.016 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.085 -6.950 -1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.698 -7.685 -1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.249 -8.604 -1.056 1.00 0.00 H new ATOM 1310 N THR A 83 -1.781 -10.348 -5.597 1.00 0.00 N ATOM 1311 CA THR A 83 -0.336 -10.314 -5.781 1.00 0.00 C ATOM 1312 C THR A 83 0.141 -8.911 -6.137 1.00 0.00 C ATOM 1313 O THR A 83 -0.461 -8.233 -6.970 1.00 0.00 O ATOM 1314 CB THR A 83 0.113 -11.292 -6.884 1.00 0.00 C ATOM 1315 OG1 THR A 83 -0.506 -12.568 -6.688 1.00 0.00 O ATOM 1316 CG2 THR A 83 1.626 -11.450 -6.883 1.00 0.00 C ATOM 0 H THR A 83 -2.317 -10.068 -6.418 1.00 0.00 H new ATOM 0 HA THR A 83 0.110 -10.616 -4.833 1.00 0.00 H new ATOM 0 HB THR A 83 -0.193 -10.885 -7.848 1.00 0.00 H new ATOM 0 HG1 THR A 83 -0.217 -13.184 -7.394 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.920 -12.145 -7.670 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.093 -10.481 -7.061 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.951 -11.837 -5.917 1.00 0.00 H new ATOM 1324 N VAL A 84 1.226 -8.480 -5.501 1.00 0.00 N ATOM 1325 CA VAL A 84 1.785 -7.157 -5.753 1.00 0.00 C ATOM 1326 C VAL A 84 3.205 -7.254 -6.297 1.00 0.00 C ATOM 1327 O VAL A 84 4.051 -7.947 -5.732 1.00 0.00 O ATOM 1328 CB VAL A 84 1.794 -6.299 -4.474 1.00 0.00 C ATOM 1329 CG1 VAL A 84 2.470 -4.961 -4.733 1.00 0.00 C ATOM 1330 CG2 VAL A 84 0.378 -6.099 -3.956 1.00 0.00 C ATOM 0 H VAL A 84 1.735 -9.028 -4.808 1.00 0.00 H new ATOM 0 HA VAL A 84 1.147 -6.680 -6.497 1.00 0.00 H new ATOM 0 HB VAL A 84 2.365 -6.825 -3.709 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.467 -4.369 -3.818 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.498 -5.129 -5.053 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.930 -4.426 -5.514 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.404 -5.491 -3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.220 -5.595 -4.716 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.066 -7.068 -3.729 1.00 0.00 H new ATOM 1340 N ASN A 85 3.461 -6.556 -7.398 1.00 0.00 N ATOM 1341 CA ASN A 85 4.780 -6.563 -8.019 1.00 0.00 C ATOM 1342 C ASN A 85 5.595 -5.349 -7.582 1.00 0.00 C ATOM 1343 O ASN A 85 5.079 -4.233 -7.519 1.00 0.00 O ATOM 1344 CB ASN A 85 4.649 -6.582 -9.543 1.00 0.00 C ATOM 1345 CG ASN A 85 4.599 -7.991 -10.102 1.00 0.00 C ATOM 1346 OD1 ASN A 85 5.545 -8.451 -10.742 1.00 0.00 O ATOM 1347 ND2 ASN A 85 3.492 -8.684 -9.862 1.00 0.00 N ATOM 0 H ASN A 85 2.772 -5.978 -7.879 1.00 0.00 H new ATOM 0 HA ASN A 85 5.302 -7.463 -7.694 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.745 -6.046 -9.834 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.491 -6.049 -9.984 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.401 -9.637 -10.213 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.733 -8.263 -9.327 1.00 0.00 H new ATOM 1354 N LEU A 86 6.869 -5.575 -7.283 1.00 0.00 N ATOM 1355 CA LEU A 86 7.756 -4.500 -6.853 1.00 0.00 C ATOM 1356 C LEU A 86 8.850 -4.251 -7.886 1.00 0.00 C ATOM 1357 O LEU A 86 9.437 -5.191 -8.422 1.00 0.00 O ATOM 1358 CB LEU A 86 8.383 -4.840 -5.500 1.00 0.00 C ATOM 1359 CG LEU A 86 7.407 -5.197 -4.378 1.00 0.00 C ATOM 1360 CD1 LEU A 86 8.161 -5.674 -3.146 1.00 0.00 C ATOM 1361 CD2 LEU A 86 6.527 -4.003 -4.038 1.00 0.00 C ATOM 0 H LEU A 86 7.311 -6.493 -7.330 1.00 0.00 H new ATOM 0 HA LEU A 86 7.163 -3.591 -6.753 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.067 -5.677 -5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.982 -3.989 -5.176 1.00 0.00 H new ATOM 0 HG LEU A 86 6.767 -6.009 -4.723 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.450 -5.923 -2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.748 -6.557 -3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.826 -4.884 -2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.839 -4.275 -3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.152 -3.171 -3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.959 -3.707 -4.920 1.00 0.00 H new ATOM 1373 N ARG A 87 9.121 -2.978 -8.158 1.00 0.00 N ATOM 1374 CA ARG A 87 10.146 -2.606 -9.125 1.00 0.00 C ATOM 1375 C ARG A 87 11.441 -3.371 -8.868 1.00 0.00 C ATOM 1376 O ARG A 87 12.131 -3.774 -9.804 1.00 0.00 O ATOM 1377 CB ARG A 87 10.411 -1.100 -9.065 1.00 0.00 C ATOM 1378 CG ARG A 87 9.260 -0.258 -9.590 1.00 0.00 C ATOM 1379 CD ARG A 87 9.215 -0.261 -11.110 1.00 0.00 C ATOM 1380 NE ARG A 87 10.370 0.417 -11.693 1.00 0.00 N ATOM 1381 CZ ARG A 87 10.789 0.216 -12.938 1.00 0.00 C ATOM 1382 NH1 ARG A 87 10.151 -0.638 -13.726 1.00 0.00 N ATOM 1383 NH2 ARG A 87 11.848 0.872 -13.396 1.00 0.00 N ATOM 0 H ARG A 87 8.645 -2.188 -7.722 1.00 0.00 H new ATOM 0 HA ARG A 87 9.782 -2.866 -10.119 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.616 -0.817 -8.033 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.308 -0.874 -9.642 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.319 -0.641 -9.196 1.00 0.00 H new ATOM 0 HG3 ARG A 87 9.363 0.766 -9.230 1.00 0.00 H new ATOM 0 HD2 ARG A 87 9.179 -1.289 -11.470 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.300 0.227 -11.447 1.00 0.00 H new ATOM 0 HE ARG A 87 10.883 1.081 -11.113 1.00 0.00 H new ATOM 0 HH11 ARG A 87 9.336 -1.143 -13.377 1.00 0.00 H new ATOM 0 HH12 ARG A 87 10.475 -0.790 -14.681 1.00 0.00 H new ATOM 0 HH21 ARG A 87 12.340 1.530 -12.792 1.00 0.00 H new ATOM 0 HH22 ARG A 87 12.170 0.718 -14.352 1.00 0.00 H new ATOM 1397 N GLU A 88 11.764 -3.567 -7.593 1.00 0.00 N ATOM 1398 CA GLU A 88 12.976 -4.283 -7.214 1.00 0.00 C ATOM 1399 C GLU A 88 13.133 -5.560 -8.035 1.00 0.00 C ATOM 1400 O GLU A 88 14.240 -5.928 -8.425 1.00 0.00 O ATOM 1401 CB GLU A 88 12.949 -4.622 -5.722 1.00 0.00 C ATOM 1402 CG GLU A 88 11.754 -5.465 -5.311 1.00 0.00 C ATOM 1403 CD GLU A 88 11.853 -5.960 -3.882 1.00 0.00 C ATOM 1404 OE1 GLU A 88 12.485 -7.015 -3.663 1.00 0.00 O ATOM 1405 OE2 GLU A 88 11.299 -5.294 -2.983 1.00 0.00 O ATOM 0 H GLU A 88 11.203 -3.240 -6.806 1.00 0.00 H new ATOM 0 HA GLU A 88 13.829 -3.635 -7.416 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.864 -5.154 -5.462 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.944 -3.696 -5.148 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.843 -4.877 -5.426 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.669 -6.319 -5.982 1.00 0.00 H new ATOM 1412 N GLY A 89 12.015 -6.232 -8.293 1.00 0.00 N ATOM 1413 CA GLY A 89 12.049 -7.460 -9.064 1.00 0.00 C ATOM 1414 C GLY A 89 11.503 -8.645 -8.293 1.00 0.00 C ATOM 1415 O GLY A 89 11.967 -9.772 -8.462 1.00 0.00 O ATOM 0 H GLY A 89 11.086 -5.947 -7.981 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.470 -7.327 -9.978 1.00 0.00 H new ATOM 0 HA3 GLY A 89 13.076 -7.668 -9.365 1.00 0.00 H new ATOM 1419 N SER A 90 10.514 -8.389 -7.442 1.00 0.00 N ATOM 1420 CA SER A 90 9.907 -9.443 -6.637 1.00 0.00 C ATOM 1421 C SER A 90 8.406 -9.218 -6.490 1.00 0.00 C ATOM 1422 O SER A 90 7.925 -8.088 -6.581 1.00 0.00 O ATOM 1423 CB SER A 90 10.563 -9.501 -5.256 1.00 0.00 C ATOM 1424 OG SER A 90 10.039 -8.501 -4.400 1.00 0.00 O ATOM 0 H SER A 90 10.116 -7.462 -7.292 1.00 0.00 H new ATOM 0 HA SER A 90 10.066 -10.393 -7.147 1.00 0.00 H new ATOM 0 HB2 SER A 90 10.401 -10.484 -4.814 1.00 0.00 H new ATOM 0 HB3 SER A 90 11.641 -9.370 -5.356 1.00 0.00 H new ATOM 0 HG SER A 90 10.473 -8.560 -3.523 1.00 0.00 H new ATOM 1430 N ARG A 91 7.670 -10.301 -6.262 1.00 0.00 N ATOM 1431 CA ARG A 91 6.223 -10.223 -6.103 1.00 0.00 C ATOM 1432 C ARG A 91 5.813 -10.570 -4.675 1.00 0.00 C ATOM 1433 O ARG A 91 6.540 -11.260 -3.959 1.00 0.00 O ATOM 1434 CB ARG A 91 5.529 -11.166 -7.088 1.00 0.00 C ATOM 1435 CG ARG A 91 5.967 -12.616 -6.953 1.00 0.00 C ATOM 1436 CD ARG A 91 5.622 -13.419 -8.198 1.00 0.00 C ATOM 1437 NE ARG A 91 6.617 -13.248 -9.253 1.00 0.00 N ATOM 1438 CZ ARG A 91 6.657 -13.992 -10.353 1.00 0.00 C ATOM 1439 NH1 ARG A 91 5.762 -14.952 -10.541 1.00 0.00 N ATOM 1440 NH2 ARG A 91 7.594 -13.775 -11.267 1.00 0.00 N ATOM 0 H ARG A 91 8.052 -11.243 -6.183 1.00 0.00 H new ATOM 0 HA ARG A 91 5.914 -9.199 -6.312 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.451 -11.105 -6.938 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.729 -10.828 -8.105 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.042 -12.658 -6.778 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.485 -13.064 -6.084 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.546 -14.475 -7.939 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.644 -13.111 -8.569 1.00 0.00 H new ATOM 0 HE ARG A 91 7.320 -12.517 -9.139 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.040 -15.121 -9.840 1.00 0.00 H new ATOM 0 HH12 ARG A 91 5.795 -15.522 -11.386 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.284 -13.037 -11.125 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.625 -14.346 -12.111 1.00 0.00 H new ATOM 1454 N LEU A 92 4.645 -10.087 -4.267 1.00 0.00 N ATOM 1455 CA LEU A 92 4.138 -10.345 -2.923 1.00 0.00 C ATOM 1456 C LEU A 92 2.868 -11.189 -2.974 1.00 0.00 C ATOM 1457 O LEU A 92 1.801 -10.702 -3.347 1.00 0.00 O ATOM 1458 CB LEU A 92 3.859 -9.026 -2.200 1.00 0.00 C ATOM 1459 CG LEU A 92 5.023 -8.440 -1.400 1.00 0.00 C ATOM 1460 CD1 LEU A 92 4.876 -6.932 -1.270 1.00 0.00 C ATOM 1461 CD2 LEU A 92 5.108 -9.090 -0.027 1.00 0.00 C ATOM 0 H LEU A 92 4.031 -9.515 -4.847 1.00 0.00 H new ATOM 0 HA LEU A 92 4.899 -10.899 -2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.545 -8.289 -2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.018 -9.177 -1.523 1.00 0.00 H new ATOM 0 HG LEU A 92 5.949 -8.649 -1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.713 -6.533 -0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.866 -6.481 -2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.943 -6.700 -0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.942 -8.660 0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.180 -8.913 0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.262 -10.163 -0.141 1.00 0.00 H new ATOM 1473 N HIS A 93 2.991 -12.456 -2.593 1.00 0.00 N ATOM 1474 CA HIS A 93 1.852 -13.368 -2.592 1.00 0.00 C ATOM 1475 C HIS A 93 0.967 -13.130 -1.373 1.00 0.00 C ATOM 1476 O HIS A 93 1.301 -13.539 -0.260 1.00 0.00 O ATOM 1477 CB HIS A 93 2.333 -14.819 -2.612 1.00 0.00 C ATOM 1478 CG HIS A 93 2.809 -15.274 -3.957 1.00 0.00 C ATOM 1479 ND1 HIS A 93 4.085 -15.037 -4.424 1.00 0.00 N ATOM 1480 CD2 HIS A 93 2.173 -15.957 -4.937 1.00 0.00 C ATOM 1481 CE1 HIS A 93 4.212 -15.553 -5.633 1.00 0.00 C ATOM 1482 NE2 HIS A 93 3.066 -16.118 -5.968 1.00 0.00 N ATOM 0 H HIS A 93 3.867 -12.875 -2.281 1.00 0.00 H new ATOM 0 HA HIS A 93 1.264 -13.176 -3.489 1.00 0.00 H new ATOM 0 HB2 HIS A 93 3.142 -14.935 -1.891 1.00 0.00 H new ATOM 0 HB3 HIS A 93 1.520 -15.467 -2.285 1.00 0.00 H new ATOM 0 HD2 HIS A 93 1.153 -16.310 -4.913 1.00 0.00 H new ATOM 0 HE1 HIS A 93 5.102 -15.519 -6.244 1.00 0.00 H new ATOM 0 HE2 HIS A 93 2.875 -16.596 -6.849 1.00 0.00 H new ATOM 1491 N LEU A 94 -0.163 -12.465 -1.589 1.00 0.00 N ATOM 1492 CA LEU A 94 -1.097 -12.171 -0.507 1.00 0.00 C ATOM 1493 C LEU A 94 -2.502 -12.649 -0.856 1.00 0.00 C ATOM 1494 O LEU A 94 -2.805 -12.920 -2.019 1.00 0.00 O ATOM 1495 CB LEU A 94 -1.114 -10.670 -0.215 1.00 0.00 C ATOM 1496 CG LEU A 94 0.226 -10.047 0.181 1.00 0.00 C ATOM 1497 CD1 LEU A 94 0.147 -8.530 0.124 1.00 0.00 C ATOM 1498 CD2 LEU A 94 0.638 -10.510 1.571 1.00 0.00 C ATOM 0 H LEU A 94 -0.455 -12.119 -2.503 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.763 -12.704 0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.485 -10.152 -1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.829 -10.484 0.586 1.00 0.00 H new ATOM 0 HG LEU A 94 0.983 -10.377 -0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.109 -8.105 0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.103 -8.216 -0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.622 -8.180 0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.593 -10.057 1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.120 -10.209 2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.736 -11.596 1.579 1.00 0.00 H new ATOM 1510 N CYS A 95 -3.357 -12.747 0.156 1.00 0.00 N ATOM 1511 CA CYS A 95 -4.732 -13.191 -0.044 1.00 0.00 C ATOM 1512 C CYS A 95 -5.666 -12.542 0.972 1.00 0.00 C ATOM 1513 O CYS A 95 -5.394 -12.548 2.172 1.00 0.00 O ATOM 1514 CB CYS A 95 -4.819 -14.714 0.064 1.00 0.00 C ATOM 1515 SG CYS A 95 -6.414 -15.400 -0.441 1.00 0.00 S ATOM 0 H CYS A 95 -3.122 -12.525 1.123 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.044 -12.887 -1.043 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.035 -15.156 -0.550 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.620 -15.006 1.095 1.00 0.00 H new ATOM 0 HG CYS A 95 -7.373 -14.742 0.140 1.00 0.00 H new ATOM 1521 N ALA A 96 -6.767 -11.982 0.482 1.00 0.00 N ATOM 1522 CA ALA A 96 -7.741 -11.329 1.348 1.00 0.00 C ATOM 1523 C ALA A 96 -8.846 -12.296 1.758 1.00 0.00 C ATOM 1524 O ALA A 96 -8.861 -13.451 1.334 1.00 0.00 O ATOM 1525 CB ALA A 96 -8.334 -10.112 0.652 1.00 0.00 C ATOM 0 H ALA A 96 -7.007 -11.967 -0.509 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.226 -11.003 2.251 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.060 -9.634 1.310 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.539 -9.405 0.415 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.829 -10.424 -0.268 1.00 0.00 H new ATOM 1531 N GLU A 97 -9.770 -11.817 2.585 1.00 0.00 N ATOM 1532 CA GLU A 97 -10.878 -12.641 3.053 1.00 0.00 C ATOM 1533 C GLU A 97 -11.970 -12.737 1.993 1.00 0.00 C ATOM 1534 O GLU A 97 -12.498 -13.817 1.723 1.00 0.00 O ATOM 1535 CB GLU A 97 -11.457 -12.068 4.348 1.00 0.00 C ATOM 1536 CG GLU A 97 -10.614 -12.365 5.577 1.00 0.00 C ATOM 1537 CD GLU A 97 -11.359 -12.107 6.872 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -11.803 -10.959 7.081 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -11.497 -13.053 7.676 1.00 0.00 O ATOM 0 H GLU A 97 -9.773 -10.862 2.945 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.496 -13.643 3.247 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -11.562 -10.988 4.242 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -12.458 -12.472 4.498 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.292 -13.406 5.549 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -9.713 -11.752 5.552 1.00 0.00 H new ATOM 1546 N THR A 98 -12.307 -11.599 1.393 1.00 0.00 N ATOM 1547 CA THR A 98 -13.337 -11.553 0.363 1.00 0.00 C ATOM 1548 C THR A 98 -12.875 -10.742 -0.842 1.00 0.00 C ATOM 1549 O THR A 98 -11.856 -10.054 -0.784 1.00 0.00 O ATOM 1550 CB THR A 98 -14.645 -10.947 0.905 1.00 0.00 C ATOM 1551 OG1 THR A 98 -14.387 -9.665 1.487 1.00 0.00 O ATOM 1552 CG2 THR A 98 -15.278 -11.863 1.942 1.00 0.00 C ATOM 0 H THR A 98 -11.881 -10.696 1.603 1.00 0.00 H new ATOM 0 HA THR A 98 -13.522 -12.582 0.054 1.00 0.00 H new ATOM 0 HB THR A 98 -15.339 -10.834 0.072 1.00 0.00 H new ATOM 0 HG1 THR A 98 -15.224 -9.286 1.828 1.00 0.00 H new ATOM 0 HG21 THR A 98 -16.200 -11.413 2.310 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.501 -12.828 1.487 1.00 0.00 H new ATOM 0 HG23 THR A 98 -14.587 -12.005 2.773 1.00 0.00 H new ATOM 1560 N ARG A 99 -13.630 -10.827 -1.932 1.00 0.00 N ATOM 1561 CA ARG A 99 -13.297 -10.101 -3.151 1.00 0.00 C ATOM 1562 C ARG A 99 -13.373 -8.594 -2.924 1.00 0.00 C ATOM 1563 O ARG A 99 -12.942 -7.807 -3.767 1.00 0.00 O ATOM 1564 CB ARG A 99 -14.241 -10.505 -4.285 1.00 0.00 C ATOM 1565 CG ARG A 99 -15.510 -9.671 -4.348 1.00 0.00 C ATOM 1566 CD ARG A 99 -16.669 -10.463 -4.933 1.00 0.00 C ATOM 1567 NE ARG A 99 -17.955 -10.026 -4.397 1.00 0.00 N ATOM 1568 CZ ARG A 99 -19.077 -10.729 -4.515 1.00 0.00 C ATOM 1569 NH1 ARG A 99 -19.069 -11.895 -5.145 1.00 0.00 N ATOM 1570 NH2 ARG A 99 -20.209 -10.265 -4.001 1.00 0.00 N ATOM 0 H ARG A 99 -14.477 -11.392 -1.996 1.00 0.00 H new ATOM 0 HA ARG A 99 -12.275 -10.358 -3.429 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.712 -10.419 -5.234 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -14.511 -11.554 -4.165 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -15.771 -9.328 -3.347 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -15.333 -8.782 -4.954 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -16.672 -10.354 -6.018 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -16.528 -11.523 -4.720 1.00 0.00 H new ATOM 0 HE ARG A 99 -17.995 -9.133 -3.905 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -18.201 -12.255 -5.541 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -19.931 -12.432 -5.234 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -20.219 -9.368 -3.515 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -21.070 -10.805 -4.092 1.00 0.00 H new ATOM 1584 N ASP A 100 -13.925 -8.200 -1.782 1.00 0.00 N ATOM 1585 CA ASP A 100 -14.058 -6.788 -1.444 1.00 0.00 C ATOM 1586 C ASP A 100 -12.779 -6.261 -0.799 1.00 0.00 C ATOM 1587 O ASP A 100 -12.197 -5.281 -1.263 1.00 0.00 O ATOM 1588 CB ASP A 100 -15.243 -6.576 -0.501 1.00 0.00 C ATOM 1589 CG ASP A 100 -15.714 -5.136 -0.477 1.00 0.00 C ATOM 1590 OD1 ASP A 100 -15.773 -4.512 -1.558 1.00 0.00 O ATOM 1591 OD2 ASP A 100 -16.024 -4.631 0.623 1.00 0.00 O ATOM 0 H ASP A 100 -14.288 -8.839 -1.074 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.234 -6.234 -2.366 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -16.067 -7.220 -0.808 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -14.960 -6.879 0.507 1.00 0.00 H new ATOM 1596 N ASP A 101 -12.349 -6.918 0.273 1.00 0.00 N ATOM 1597 CA ASP A 101 -11.140 -6.516 0.982 1.00 0.00 C ATOM 1598 C ASP A 101 -9.947 -6.458 0.032 1.00 0.00 C ATOM 1599 O ASP A 101 -9.083 -5.591 0.157 1.00 0.00 O ATOM 1600 CB ASP A 101 -10.848 -7.486 2.128 1.00 0.00 C ATOM 1601 CG ASP A 101 -11.600 -7.127 3.395 1.00 0.00 C ATOM 1602 OD1 ASP A 101 -11.248 -6.108 4.024 1.00 0.00 O ATOM 1603 OD2 ASP A 101 -12.539 -7.867 3.757 1.00 0.00 O ATOM 0 H ASP A 101 -12.820 -7.731 0.670 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.304 -5.520 1.393 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -11.118 -8.497 1.823 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.777 -7.490 2.333 1.00 0.00 H new ATOM 1608 N ALA A 102 -9.907 -7.388 -0.917 1.00 0.00 N ATOM 1609 CA ALA A 102 -8.822 -7.442 -1.888 1.00 0.00 C ATOM 1610 C ALA A 102 -8.737 -6.147 -2.690 1.00 0.00 C ATOM 1611 O ALA A 102 -7.734 -5.436 -2.634 1.00 0.00 O ATOM 1612 CB ALA A 102 -9.006 -8.631 -2.819 1.00 0.00 C ATOM 0 H ALA A 102 -10.614 -8.114 -1.034 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.886 -7.563 -1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.188 -8.659 -3.539 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.008 -9.552 -2.236 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.953 -8.535 -3.349 1.00 0.00 H new ATOM 1618 N ILE A 103 -9.796 -5.848 -3.435 1.00 0.00 N ATOM 1619 CA ILE A 103 -9.840 -4.639 -4.248 1.00 0.00 C ATOM 1620 C ILE A 103 -9.353 -3.429 -3.459 1.00 0.00 C ATOM 1621 O ILE A 103 -8.577 -2.618 -3.964 1.00 0.00 O ATOM 1622 CB ILE A 103 -11.264 -4.361 -4.765 1.00 0.00 C ATOM 1623 CG1 ILE A 103 -11.761 -5.534 -5.613 1.00 0.00 C ATOM 1624 CG2 ILE A 103 -11.292 -3.070 -5.570 1.00 0.00 C ATOM 1625 CD1 ILE A 103 -13.262 -5.558 -5.791 1.00 0.00 C ATOM 0 H ILE A 103 -10.634 -6.426 -3.492 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.179 -4.805 -5.099 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.930 -4.248 -3.909 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.288 -5.489 -6.594 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -11.443 -6.468 -5.149 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -12.305 -2.887 -5.929 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.975 -2.240 -4.938 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.616 -3.157 -6.421 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.542 -6.416 -6.402 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.743 -5.635 -4.816 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.585 -4.641 -6.283 1.00 0.00 H new ATOM 1637 N ALA A 104 -9.812 -3.314 -2.217 1.00 0.00 N ATOM 1638 CA ALA A 104 -9.419 -2.205 -1.357 1.00 0.00 C ATOM 1639 C ALA A 104 -7.911 -1.986 -1.398 1.00 0.00 C ATOM 1640 O ALA A 104 -7.442 -0.882 -1.677 1.00 0.00 O ATOM 1641 CB ALA A 104 -9.879 -2.457 0.072 1.00 0.00 C ATOM 0 H ALA A 104 -10.456 -3.976 -1.784 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.901 -1.301 -1.729 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.579 -1.621 0.704 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.964 -2.556 0.093 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.424 -3.375 0.444 1.00 0.00 H new ATOM 1647 N TRP A 105 -7.156 -3.042 -1.117 1.00 0.00 N ATOM 1648 CA TRP A 105 -5.700 -2.963 -1.121 1.00 0.00 C ATOM 1649 C TRP A 105 -5.181 -2.547 -2.493 1.00 0.00 C ATOM 1650 O TRP A 105 -4.297 -1.698 -2.603 1.00 0.00 O ATOM 1651 CB TRP A 105 -5.095 -4.310 -0.720 1.00 0.00 C ATOM 1652 CG TRP A 105 -4.946 -4.476 0.762 1.00 0.00 C ATOM 1653 CD1 TRP A 105 -5.563 -5.406 1.548 1.00 0.00 C ATOM 1654 CD2 TRP A 105 -4.128 -3.689 1.634 1.00 0.00 C ATOM 1655 NE1 TRP A 105 -5.178 -5.245 2.857 1.00 0.00 N ATOM 1656 CE2 TRP A 105 -4.297 -4.199 2.936 1.00 0.00 C ATOM 1657 CE3 TRP A 105 -3.267 -2.605 1.442 1.00 0.00 C ATOM 1658 CZ2 TRP A 105 -3.639 -3.659 4.038 1.00 0.00 C ATOM 1659 CZ3 TRP A 105 -2.615 -2.070 2.537 1.00 0.00 C ATOM 1660 CH2 TRP A 105 -2.803 -2.598 3.821 1.00 0.00 C ATOM 0 H TRP A 105 -7.528 -3.963 -0.884 1.00 0.00 H new ATOM 0 HA TRP A 105 -5.400 -2.207 -0.395 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -5.723 -5.112 -1.107 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.117 -4.416 -1.190 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.252 -6.158 1.193 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -5.497 -5.812 3.643 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -3.114 -2.193 0.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -3.783 -4.063 5.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -1.949 -1.231 2.400 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -2.278 -2.159 4.656 1.00 0.00 H new ATOM 1671 N LYS A 106 -5.737 -3.150 -3.539 1.00 0.00 N ATOM 1672 CA LYS A 106 -5.332 -2.841 -4.905 1.00 0.00 C ATOM 1673 C LYS A 106 -5.415 -1.342 -5.172 1.00 0.00 C ATOM 1674 O LYS A 106 -4.531 -0.762 -5.803 1.00 0.00 O ATOM 1675 CB LYS A 106 -6.212 -3.597 -5.903 1.00 0.00 C ATOM 1676 CG LYS A 106 -6.152 -3.036 -7.313 1.00 0.00 C ATOM 1677 CD LYS A 106 -6.938 -3.896 -8.289 1.00 0.00 C ATOM 1678 CE LYS A 106 -6.479 -3.674 -9.722 1.00 0.00 C ATOM 1679 NZ LYS A 106 -7.177 -2.521 -10.356 1.00 0.00 N ATOM 0 H LYS A 106 -6.470 -3.856 -3.466 1.00 0.00 H new ATOM 0 HA LYS A 106 -4.296 -3.157 -5.030 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -5.907 -4.643 -5.924 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -7.245 -3.573 -5.555 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -6.550 -2.021 -7.319 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -5.113 -2.973 -7.637 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -6.819 -4.947 -8.027 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -8.000 -3.665 -8.206 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -5.403 -3.499 -9.736 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -6.663 -4.576 -10.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.836 -2.403 -11.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -8.202 -2.698 -10.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -6.981 -1.656 -9.814 1.00 0.00 H new ATOM 1693 N THR A 107 -6.483 -0.717 -4.685 1.00 0.00 N ATOM 1694 CA THR A 107 -6.682 0.715 -4.870 1.00 0.00 C ATOM 1695 C THR A 107 -5.733 1.520 -3.990 1.00 0.00 C ATOM 1696 O THR A 107 -5.141 2.503 -4.436 1.00 0.00 O ATOM 1697 CB THR A 107 -8.132 1.127 -4.553 1.00 0.00 C ATOM 1698 OG1 THR A 107 -9.038 0.433 -5.418 1.00 0.00 O ATOM 1699 CG2 THR A 107 -8.316 2.628 -4.716 1.00 0.00 C ATOM 0 H THR A 107 -7.224 -1.181 -4.159 1.00 0.00 H new ATOM 0 HA THR A 107 -6.472 0.930 -5.918 1.00 0.00 H new ATOM 0 HB THR A 107 -8.344 0.862 -3.517 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.958 0.699 -5.209 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.348 2.895 -4.487 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.646 3.153 -4.035 1.00 0.00 H new ATOM 0 HG23 THR A 107 -8.087 2.913 -5.743 1.00 0.00 H new ATOM 1707 N ALA A 108 -5.591 1.096 -2.739 1.00 0.00 N ATOM 1708 CA ALA A 108 -4.710 1.776 -1.797 1.00 0.00 C ATOM 1709 C ALA A 108 -3.257 1.703 -2.253 1.00 0.00 C ATOM 1710 O ALA A 108 -2.442 2.559 -1.903 1.00 0.00 O ATOM 1711 CB ALA A 108 -4.860 1.177 -0.407 1.00 0.00 C ATOM 0 H ALA A 108 -6.075 0.285 -2.354 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.999 2.826 -1.761 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.196 1.694 0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.891 1.288 -0.072 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -4.600 0.119 -0.437 1.00 0.00 H new ATOM 1717 N LEU A 109 -2.938 0.677 -3.034 1.00 0.00 N ATOM 1718 CA LEU A 109 -1.581 0.492 -3.538 1.00 0.00 C ATOM 1719 C LEU A 109 -1.387 1.226 -4.861 1.00 0.00 C ATOM 1720 O LEU A 109 -0.426 1.976 -5.030 1.00 0.00 O ATOM 1721 CB LEU A 109 -1.282 -0.997 -3.718 1.00 0.00 C ATOM 1722 CG LEU A 109 -1.266 -1.838 -2.441 1.00 0.00 C ATOM 1723 CD1 LEU A 109 -1.393 -3.317 -2.774 1.00 0.00 C ATOM 1724 CD2 LEU A 109 0.005 -1.576 -1.646 1.00 0.00 C ATOM 0 H LEU A 109 -3.600 -0.039 -3.332 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.888 0.909 -2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.025 -1.417 -4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.313 -1.096 -4.206 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.120 -1.550 -1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.380 -3.900 -1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.331 -3.492 -3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.559 -3.620 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.001 -2.183 -0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.873 -1.836 -2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.054 -0.521 -1.376 1.00 0.00 H new ATOM 1736 N MET A 110 -2.306 1.005 -5.795 1.00 0.00 N ATOM 1737 CA MET A 110 -2.237 1.648 -7.102 1.00 0.00 C ATOM 1738 C MET A 110 -2.204 3.166 -6.959 1.00 0.00 C ATOM 1739 O MET A 110 -1.530 3.856 -7.724 1.00 0.00 O ATOM 1740 CB MET A 110 -3.430 1.231 -7.963 1.00 0.00 C ATOM 1741 CG MET A 110 -3.341 -0.199 -8.472 1.00 0.00 C ATOM 1742 SD MET A 110 -2.358 -0.340 -9.977 1.00 0.00 S ATOM 1743 CE MET A 110 -0.965 -1.295 -9.383 1.00 0.00 C ATOM 0 H MET A 110 -3.107 0.386 -5.671 1.00 0.00 H new ATOM 0 HA MET A 110 -1.317 1.326 -7.590 1.00 0.00 H new ATOM 0 HB2 MET A 110 -4.345 1.345 -7.382 1.00 0.00 H new ATOM 0 HB3 MET A 110 -3.507 1.907 -8.814 1.00 0.00 H new ATOM 0 HG2 MET A 110 -2.905 -0.830 -7.697 1.00 0.00 H new ATOM 0 HG3 MET A 110 -4.346 -0.576 -8.662 1.00 0.00 H new ATOM 0 HE1 MET A 110 -0.111 -1.142 -10.043 1.00 0.00 H new ATOM 0 HE2 MET A 110 -0.707 -0.973 -8.374 1.00 0.00 H new ATOM 0 HE3 MET A 110 -1.228 -2.353 -9.370 1.00 0.00 H new ATOM 1753 N GLU A 111 -2.936 3.680 -5.976 1.00 0.00 N ATOM 1754 CA GLU A 111 -2.990 5.117 -5.735 1.00 0.00 C ATOM 1755 C GLU A 111 -1.646 5.637 -5.235 1.00 0.00 C ATOM 1756 O GLU A 111 -0.977 6.415 -5.915 1.00 0.00 O ATOM 1757 CB GLU A 111 -4.086 5.446 -4.719 1.00 0.00 C ATOM 1758 CG GLU A 111 -5.442 5.713 -5.351 1.00 0.00 C ATOM 1759 CD GLU A 111 -5.501 7.050 -6.064 1.00 0.00 C ATOM 1760 OE1 GLU A 111 -5.023 7.131 -7.215 1.00 0.00 O ATOM 1761 OE2 GLU A 111 -6.025 8.015 -5.470 1.00 0.00 O ATOM 0 H GLU A 111 -3.500 3.123 -5.334 1.00 0.00 H new ATOM 0 HA GLU A 111 -3.221 5.608 -6.680 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.179 4.618 -4.016 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.785 6.321 -4.143 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.671 4.917 -6.060 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -6.211 5.683 -4.579 1.00 0.00 H new ATOM 1768 N ALA A 112 -1.257 5.201 -4.042 1.00 0.00 N ATOM 1769 CA ALA A 112 0.008 5.619 -3.450 1.00 0.00 C ATOM 1770 C ALA A 112 1.164 5.413 -4.423 1.00 0.00 C ATOM 1771 O ALA A 112 2.049 6.259 -4.539 1.00 0.00 O ATOM 1772 CB ALA A 112 0.263 4.861 -2.156 1.00 0.00 C ATOM 0 H ALA A 112 -1.800 4.558 -3.466 1.00 0.00 H new ATOM 0 HA ALA A 112 -0.059 6.684 -3.226 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.211 5.184 -1.726 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.543 5.063 -1.451 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.304 3.792 -2.363 1.00 0.00 H new ATOM 1778 N ASN A 113 1.150 4.281 -5.120 1.00 0.00 N ATOM 1779 CA ASN A 113 2.198 3.963 -6.083 1.00 0.00 C ATOM 1780 C ASN A 113 2.356 5.084 -7.106 1.00 0.00 C ATOM 1781 O ASN A 113 3.472 5.471 -7.451 1.00 0.00 O ATOM 1782 CB ASN A 113 1.883 2.647 -6.796 1.00 0.00 C ATOM 1783 CG ASN A 113 2.439 2.605 -8.206 1.00 0.00 C ATOM 1784 OD1 ASN A 113 3.650 2.697 -8.410 1.00 0.00 O ATOM 1785 ND2 ASN A 113 1.555 2.467 -9.187 1.00 0.00 N ATOM 0 H ASN A 113 0.425 3.569 -5.036 1.00 0.00 H new ATOM 0 HA ASN A 113 3.136 3.857 -5.539 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.295 1.818 -6.221 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.803 2.505 -6.830 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.870 2.433 -10.157 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.561 2.394 -8.971 1.00 0.00 H new ATOM 1792 N SER A 114 1.230 5.601 -7.587 1.00 0.00 N ATOM 1793 CA SER A 114 1.242 6.675 -8.573 1.00 0.00 C ATOM 1794 C SER A 114 0.671 7.961 -7.983 1.00 0.00 C ATOM 1795 O SER A 114 -0.075 8.685 -8.644 1.00 0.00 O ATOM 1796 CB SER A 114 0.441 6.269 -9.811 1.00 0.00 C ATOM 1797 OG SER A 114 0.826 7.032 -10.941 1.00 0.00 O ATOM 0 H SER A 114 0.298 5.293 -7.310 1.00 0.00 H new ATOM 0 HA SER A 114 2.277 6.857 -8.863 1.00 0.00 H new ATOM 0 HB2 SER A 114 0.593 5.209 -10.015 1.00 0.00 H new ATOM 0 HB3 SER A 114 -0.623 6.407 -9.621 1.00 0.00 H new ATOM 0 HG SER A 114 0.717 7.986 -10.744 1.00 0.00 H new ATOM 1803 N THR A 115 1.025 8.240 -6.732 1.00 0.00 N ATOM 1804 CA THR A 115 0.548 9.436 -6.051 1.00 0.00 C ATOM 1805 C THR A 115 1.479 9.827 -4.908 1.00 0.00 C ATOM 1806 O THR A 115 1.493 9.204 -3.847 1.00 0.00 O ATOM 1807 CB THR A 115 -0.874 9.236 -5.494 1.00 0.00 C ATOM 1808 OG1 THR A 115 -1.789 8.983 -6.565 1.00 0.00 O ATOM 1809 CG2 THR A 115 -1.327 10.461 -4.713 1.00 0.00 C ATOM 0 H THR A 115 1.641 7.653 -6.170 1.00 0.00 H new ATOM 0 HA THR A 115 0.531 10.235 -6.792 1.00 0.00 H new ATOM 0 HB THR A 115 -0.858 8.380 -4.820 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.817 8.021 -6.751 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.334 10.296 -4.330 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.645 10.634 -3.880 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.327 11.331 -5.369 1.00 0.00 H new ATOM 1817 N PRO A 116 2.275 10.884 -5.128 1.00 0.00 N ATOM 1818 CA PRO A 116 3.223 11.382 -4.127 1.00 0.00 C ATOM 1819 C PRO A 116 2.523 12.032 -2.939 1.00 0.00 C ATOM 1820 O PRO A 116 1.342 12.371 -3.011 1.00 0.00 O ATOM 1821 CB PRO A 116 4.042 12.419 -4.899 1.00 0.00 C ATOM 1822 CG PRO A 116 3.142 12.870 -5.998 1.00 0.00 C ATOM 1823 CD PRO A 116 2.311 11.674 -6.370 1.00 0.00 C ATOM 0 HA PRO A 116 3.823 10.579 -3.698 1.00 0.00 H new ATOM 0 HB2 PRO A 116 4.332 13.251 -4.258 1.00 0.00 H new ATOM 0 HB3 PRO A 116 4.961 11.985 -5.293 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.511 13.697 -5.671 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.718 13.226 -6.852 1.00 0.00 H new ATOM 0 HD2 PRO A 116 1.310 11.964 -6.691 1.00 0.00 H new ATOM 0 HD3 PRO A 116 2.759 11.113 -7.190 1.00 0.00 H new