USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=17 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 67 CYS SG : rot -140:sc= -0.181 USER MOD Set 1.2: A 83 THR OG1 : rot 78:sc= 0.213 USER MOD Single : A 17 GLN : amide:sc= 0.0077 X(o=0.0077,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 147:sc= -1.7 (180deg=-3.88!) USER MOD Single : A 27 ASN : amide:sc= -0.497 K(o=-0.5,f=-3.2!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.884 USER MOD Single : A 40 TYR OH : rot -146:sc= 0.0614 USER MOD Single : A 41 HIS : no HD1:sc= -0.19 X(o=-0.19,f=-0.38) USER MOD Single : A 44 THR OG1 : rot 31:sc= 1.37 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.712 K(o=-0.71,f=-1.5) USER MOD Single : A 57 ASN : amide:sc= -0.56 X(o=-0.56,f=-1) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN :FLIP amide:sc= -6.44! C(o=-7.4!,f=-6.4!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HE2:sc= 0.00578 X(o=0.0058,f=-0.28) USER MOD Single : A 95 CYS SG : rot -35:sc= -0.349 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 -174:sc= 0 (180deg=-0.0194) USER MOD Single : A 113 ASN : amide:sc= -1.32 K(o=-1.3,f=-3.2!) USER MOD Single : A 114 SER OG : rot -57:sc= 0.0993 USER MOD Single : A 115 THR OG1 : rot 173:sc= 0.955 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -0.353 6.340 9.157 1.00 0.00 N ATOM 67 CA LEU A 8 -0.815 5.057 8.638 1.00 0.00 C ATOM 68 C LEU A 8 -2.003 5.245 7.700 1.00 0.00 C ATOM 69 O LEU A 8 -2.894 6.054 7.964 1.00 0.00 O ATOM 70 CB LEU A 8 -1.202 4.129 9.791 1.00 0.00 C ATOM 71 CG LEU A 8 -1.078 2.630 9.515 1.00 0.00 C ATOM 72 CD1 LEU A 8 -0.820 1.869 10.807 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.332 2.108 8.829 1.00 0.00 C ATOM 0 HA LEU A 8 0.001 4.605 8.074 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.579 4.373 10.652 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.233 4.342 10.073 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.230 2.472 8.848 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.735 0.804 10.591 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.107 2.223 11.259 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.647 2.034 11.498 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.226 1.040 8.640 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.196 2.279 9.471 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.474 2.631 7.883 1.00 0.00 H new ATOM 85 N VAL A 9 -2.012 4.492 6.605 1.00 0.00 N ATOM 86 CA VAL A 9 -3.092 4.573 5.630 1.00 0.00 C ATOM 87 C VAL A 9 -4.247 3.654 6.011 1.00 0.00 C ATOM 88 O VAL A 9 -5.369 4.109 6.234 1.00 0.00 O ATOM 89 CB VAL A 9 -2.601 4.204 4.217 1.00 0.00 C ATOM 90 CG1 VAL A 9 -3.740 4.302 3.214 1.00 0.00 C ATOM 91 CG2 VAL A 9 -1.440 5.098 3.807 1.00 0.00 C ATOM 0 H VAL A 9 -1.283 3.818 6.371 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.440 5.606 5.628 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.249 3.173 4.231 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.375 4.038 2.222 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.538 3.617 3.501 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.125 5.322 3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.105 4.824 2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.764 6.139 3.809 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.618 4.973 4.512 1.00 0.00 H new ATOM 101 N ARG A 10 -3.964 2.357 6.084 1.00 0.00 N ATOM 102 CA ARG A 10 -4.980 1.373 6.437 1.00 0.00 C ATOM 103 C ARG A 10 -4.336 0.052 6.850 1.00 0.00 C ATOM 104 O ARG A 10 -3.153 -0.178 6.602 1.00 0.00 O ATOM 105 CB ARG A 10 -5.930 1.144 5.261 1.00 0.00 C ATOM 106 CG ARG A 10 -7.167 0.339 5.625 1.00 0.00 C ATOM 107 CD ARG A 10 -8.191 0.352 4.500 1.00 0.00 C ATOM 108 NE ARG A 10 -9.433 -0.315 4.883 1.00 0.00 N ATOM 109 CZ ARG A 10 -10.407 -0.602 4.026 1.00 0.00 C ATOM 110 NH1 ARG A 10 -10.284 -0.281 2.746 1.00 0.00 N ATOM 111 NH2 ARG A 10 -11.507 -1.210 4.450 1.00 0.00 N ATOM 0 H ARG A 10 -3.040 1.964 5.903 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.548 1.761 7.283 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.240 2.110 4.862 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.392 0.628 4.466 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.881 -0.689 5.846 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.615 0.748 6.531 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.405 1.382 4.217 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.771 -0.139 3.622 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.559 -0.574 5.861 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.440 0.188 2.417 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.033 -0.503 2.090 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.606 -1.458 5.435 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.254 -1.430 3.791 1.00 0.00 H new ATOM 125 N GLY A 11 -5.124 -0.813 7.481 1.00 0.00 N ATOM 126 CA GLY A 11 -4.614 -2.099 7.918 1.00 0.00 C ATOM 127 C GLY A 11 -5.437 -3.259 7.393 1.00 0.00 C ATOM 128 O GLY A 11 -6.167 -3.117 6.413 1.00 0.00 O ATOM 0 H GLY A 11 -6.107 -0.646 7.697 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.582 -2.209 7.584 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.602 -2.130 9.007 1.00 0.00 H new ATOM 132 N GLY A 12 -5.319 -4.411 8.046 1.00 0.00 N ATOM 133 CA GLY A 12 -6.063 -5.583 7.623 1.00 0.00 C ATOM 134 C GLY A 12 -5.173 -6.794 7.426 1.00 0.00 C ATOM 135 O GLY A 12 -4.213 -6.748 6.657 1.00 0.00 O ATOM 0 H GLY A 12 -4.722 -4.554 8.860 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.826 -5.813 8.367 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.583 -5.363 6.691 1.00 0.00 H new ATOM 139 N TRP A 13 -5.491 -7.879 8.123 1.00 0.00 N ATOM 140 CA TRP A 13 -4.711 -9.108 8.021 1.00 0.00 C ATOM 141 C TRP A 13 -4.817 -9.706 6.623 1.00 0.00 C ATOM 142 O TRP A 13 -5.848 -9.582 5.960 1.00 0.00 O ATOM 143 CB TRP A 13 -5.184 -10.124 9.062 1.00 0.00 C ATOM 144 CG TRP A 13 -4.943 -9.684 10.474 1.00 0.00 C ATOM 145 CD1 TRP A 13 -5.646 -8.743 11.171 1.00 0.00 C ATOM 146 CD2 TRP A 13 -3.928 -10.167 11.361 1.00 0.00 C ATOM 147 NE1 TRP A 13 -5.129 -8.611 12.437 1.00 0.00 N ATOM 148 CE2 TRP A 13 -4.075 -9.474 12.579 1.00 0.00 C ATOM 149 CE3 TRP A 13 -2.910 -11.117 11.245 1.00 0.00 C ATOM 150 CZ2 TRP A 13 -3.241 -9.704 13.670 1.00 0.00 C ATOM 151 CZ3 TRP A 13 -2.083 -11.343 12.329 1.00 0.00 C ATOM 152 CH2 TRP A 13 -2.253 -10.640 13.528 1.00 0.00 C ATOM 0 H TRP A 13 -6.282 -7.933 8.764 1.00 0.00 H new ATOM 0 HA TRP A 13 -3.666 -8.863 8.212 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.250 -10.307 8.923 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -4.673 -11.072 8.892 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -6.485 -8.185 10.784 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -5.474 -7.974 13.155 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.772 -11.665 10.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -3.369 -9.163 14.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.292 -12.074 12.250 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.591 -10.841 14.357 1.00 0.00 H new ATOM 163 N LEU A 14 -3.747 -10.356 6.180 1.00 0.00 N ATOM 164 CA LEU A 14 -3.721 -10.975 4.859 1.00 0.00 C ATOM 165 C LEU A 14 -2.857 -12.232 4.863 1.00 0.00 C ATOM 166 O LEU A 14 -1.771 -12.249 5.444 1.00 0.00 O ATOM 167 CB LEU A 14 -3.193 -9.984 3.820 1.00 0.00 C ATOM 168 CG LEU A 14 -4.051 -8.741 3.582 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.242 -7.659 2.885 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.287 -9.093 2.768 1.00 0.00 C ATOM 0 H LEU A 14 -2.886 -10.468 6.716 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.741 -11.258 4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.198 -9.661 4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.078 -10.509 2.872 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.375 -8.357 4.549 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.869 -6.782 2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.389 -7.386 3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.887 -8.032 1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.885 -8.196 2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.984 -9.503 1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.879 -9.833 3.307 1.00 0.00 H new ATOM 182 N TRP A 15 -3.345 -13.281 4.211 1.00 0.00 N ATOM 183 CA TRP A 15 -2.615 -14.542 4.138 1.00 0.00 C ATOM 184 C TRP A 15 -1.501 -14.468 3.101 1.00 0.00 C ATOM 185 O TRP A 15 -1.755 -14.235 1.919 1.00 0.00 O ATOM 186 CB TRP A 15 -3.570 -15.688 3.798 1.00 0.00 C ATOM 187 CG TRP A 15 -4.457 -16.081 4.941 1.00 0.00 C ATOM 188 CD1 TRP A 15 -5.787 -15.802 5.079 1.00 0.00 C ATOM 189 CD2 TRP A 15 -4.077 -16.822 6.105 1.00 0.00 C ATOM 190 NE1 TRP A 15 -6.256 -16.325 6.260 1.00 0.00 N ATOM 191 CE2 TRP A 15 -5.228 -16.957 6.907 1.00 0.00 C ATOM 192 CE3 TRP A 15 -2.878 -17.387 6.548 1.00 0.00 C ATOM 193 CZ2 TRP A 15 -5.211 -17.631 8.125 1.00 0.00 C ATOM 194 CZ3 TRP A 15 -2.863 -18.056 7.757 1.00 0.00 C ATOM 195 CH2 TRP A 15 -4.023 -18.175 8.534 1.00 0.00 C ATOM 0 H TRP A 15 -4.242 -13.284 3.726 1.00 0.00 H new ATOM 0 HA TRP A 15 -2.165 -14.729 5.113 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -4.190 -15.396 2.950 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -2.989 -16.555 3.484 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -6.382 -15.252 4.365 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.215 -16.254 6.600 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -1.979 -17.302 5.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.104 -17.722 8.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -1.941 -18.495 8.109 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -3.979 -18.706 9.473 1.00 0.00 H new ATOM 206 N ARG A 16 -0.266 -14.666 3.550 1.00 0.00 N ATOM 207 CA ARG A 16 0.887 -14.620 2.659 1.00 0.00 C ATOM 208 C ARG A 16 1.458 -16.018 2.435 1.00 0.00 C ATOM 209 O ARG A 16 1.578 -16.806 3.373 1.00 0.00 O ATOM 210 CB ARG A 16 1.968 -13.703 3.235 1.00 0.00 C ATOM 211 CG ARG A 16 3.225 -13.633 2.384 1.00 0.00 C ATOM 212 CD ARG A 16 4.242 -12.667 2.972 1.00 0.00 C ATOM 213 NE ARG A 16 5.118 -13.319 3.942 1.00 0.00 N ATOM 214 CZ ARG A 16 6.033 -14.225 3.615 1.00 0.00 C ATOM 215 NH1 ARG A 16 6.191 -14.584 2.348 1.00 0.00 N ATOM 216 NH2 ARG A 16 6.792 -14.773 4.555 1.00 0.00 N ATOM 0 H ARG A 16 -0.038 -14.860 4.525 1.00 0.00 H new ATOM 0 HA ARG A 16 0.556 -14.223 1.699 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.559 -12.699 3.347 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.234 -14.052 4.233 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.668 -14.626 2.305 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.965 -13.318 1.373 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.844 -12.241 2.169 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.720 -11.840 3.453 1.00 0.00 H new ATOM 0 HE ARG A 16 5.022 -13.065 4.925 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.609 -14.164 1.623 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.894 -15.280 2.099 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.673 -14.499 5.530 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.494 -15.468 4.302 1.00 0.00 H new ATOM 230 N GLN A 17 1.806 -16.317 1.188 1.00 0.00 N ATOM 231 CA GLN A 17 2.363 -17.619 0.842 1.00 0.00 C ATOM 232 C GLN A 17 3.876 -17.538 0.675 1.00 0.00 C ATOM 233 O GLN A 17 4.381 -16.741 -0.116 1.00 0.00 O ATOM 234 CB GLN A 17 1.723 -18.145 -0.444 1.00 0.00 C ATOM 235 CG GLN A 17 1.821 -19.654 -0.600 1.00 0.00 C ATOM 236 CD GLN A 17 1.445 -20.123 -1.991 1.00 0.00 C ATOM 237 OE1 GLN A 17 2.209 -19.956 -2.943 1.00 0.00 O ATOM 238 NE2 GLN A 17 0.263 -20.715 -2.118 1.00 0.00 N ATOM 0 H GLN A 17 1.712 -15.675 0.401 1.00 0.00 H new ATOM 0 HA GLN A 17 2.143 -18.308 1.657 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.673 -17.854 -0.463 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.201 -17.668 -1.299 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.839 -19.973 -0.376 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.169 -20.134 0.130 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.339 -20.833 -1.303 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.043 -21.052 -3.031 1.00 0.00 H new ATOM 331 N ARG A 23 3.526 -22.166 2.491 1.00 0.00 N ATOM 332 CA ARG A 23 2.348 -22.205 3.349 1.00 0.00 C ATOM 333 C ARG A 23 1.811 -20.798 3.599 1.00 0.00 C ATOM 334 O ARG A 23 2.565 -19.825 3.591 1.00 0.00 O ATOM 335 CB ARG A 23 2.683 -22.879 4.680 1.00 0.00 C ATOM 336 CG ARG A 23 1.457 -23.255 5.498 1.00 0.00 C ATOM 337 CD ARG A 23 1.766 -23.276 6.986 1.00 0.00 C ATOM 338 NE ARG A 23 0.701 -23.912 7.757 1.00 0.00 N ATOM 339 CZ ARG A 23 0.616 -23.853 9.081 1.00 0.00 C ATOM 340 NH1 ARG A 23 1.529 -23.190 9.778 1.00 0.00 N ATOM 341 NH2 ARG A 23 -0.383 -24.457 9.711 1.00 0.00 N ATOM 0 HA ARG A 23 1.577 -22.784 2.840 1.00 0.00 H new ATOM 0 HB2 ARG A 23 3.269 -23.777 4.485 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.311 -22.210 5.269 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.655 -22.543 5.302 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.097 -24.235 5.186 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.703 -23.808 7.154 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.911 -22.256 7.341 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.017 -24.430 7.251 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.298 -22.724 9.297 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.462 -23.146 10.795 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.087 -24.968 9.178 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.447 -24.411 10.728 1.00 0.00 H new ATOM 355 N TRP A 24 0.505 -20.700 3.820 1.00 0.00 N ATOM 356 CA TRP A 24 -0.132 -19.413 4.073 1.00 0.00 C ATOM 357 C TRP A 24 0.008 -19.014 5.538 1.00 0.00 C ATOM 358 O TRP A 24 -0.240 -19.817 6.437 1.00 0.00 O ATOM 359 CB TRP A 24 -1.611 -19.468 3.686 1.00 0.00 C ATOM 360 CG TRP A 24 -1.834 -19.623 2.212 1.00 0.00 C ATOM 361 CD1 TRP A 24 -2.237 -20.753 1.558 1.00 0.00 C ATOM 362 CD2 TRP A 24 -1.664 -18.616 1.209 1.00 0.00 C ATOM 363 NE1 TRP A 24 -2.327 -20.508 0.209 1.00 0.00 N ATOM 364 CE2 TRP A 24 -1.982 -19.204 -0.031 1.00 0.00 C ATOM 365 CE3 TRP A 24 -1.275 -17.274 1.237 1.00 0.00 C ATOM 366 CZ2 TRP A 24 -1.922 -18.496 -1.228 1.00 0.00 C ATOM 367 CZ3 TRP A 24 -1.216 -16.572 0.048 1.00 0.00 C ATOM 368 CH2 TRP A 24 -1.539 -17.183 -1.171 1.00 0.00 C ATOM 0 H TRP A 24 -0.133 -21.496 3.829 1.00 0.00 H new ATOM 0 HA TRP A 24 0.369 -18.662 3.462 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -2.085 -20.300 4.207 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.102 -18.557 4.027 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -2.453 -21.699 2.032 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -2.606 -21.187 -0.499 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -1.025 -16.794 2.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.169 -18.966 -2.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -0.916 -15.535 0.059 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.485 -16.607 -2.083 1.00 0.00 H new ATOM 379 N LYS A 25 0.407 -17.768 5.771 1.00 0.00 N ATOM 380 CA LYS A 25 0.578 -17.261 7.128 1.00 0.00 C ATOM 381 C LYS A 25 -0.113 -15.912 7.296 1.00 0.00 C ATOM 382 O LYS A 25 -0.133 -15.095 6.375 1.00 0.00 O ATOM 383 CB LYS A 25 2.066 -17.129 7.460 1.00 0.00 C ATOM 384 CG LYS A 25 2.796 -16.119 6.591 1.00 0.00 C ATOM 385 CD LYS A 25 4.302 -16.313 6.655 1.00 0.00 C ATOM 386 CE LYS A 25 4.887 -15.719 7.927 1.00 0.00 C ATOM 387 NZ LYS A 25 4.408 -16.433 9.144 1.00 0.00 N ATOM 0 H LYS A 25 0.618 -17.091 5.038 1.00 0.00 H new ATOM 0 HA LYS A 25 0.120 -17.972 7.816 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.172 -16.840 8.506 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.542 -18.103 7.349 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.459 -16.215 5.559 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.544 -15.109 6.915 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.535 -17.377 6.608 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.767 -15.846 5.787 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.975 -15.766 7.883 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.616 -14.665 7.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.157 -16.431 9.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.565 -15.953 9.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.167 -17.414 8.898 1.00 0.00 H new ATOM 401 N ARG A 26 -0.678 -15.685 8.477 1.00 0.00 N ATOM 402 CA ARG A 26 -1.370 -14.434 8.766 1.00 0.00 C ATOM 403 C ARG A 26 -0.374 -13.326 9.096 1.00 0.00 C ATOM 404 O ARG A 26 0.552 -13.524 9.881 1.00 0.00 O ATOM 405 CB ARG A 26 -2.344 -14.623 9.930 1.00 0.00 C ATOM 406 CG ARG A 26 -3.731 -15.070 9.497 1.00 0.00 C ATOM 407 CD ARG A 26 -4.457 -15.798 10.617 1.00 0.00 C ATOM 408 NE ARG A 26 -5.907 -15.684 10.495 1.00 0.00 N ATOM 409 CZ ARG A 26 -6.763 -16.480 11.126 1.00 0.00 C ATOM 410 NH1 ARG A 26 -6.316 -17.443 11.920 1.00 0.00 N ATOM 411 NH2 ARG A 26 -8.070 -16.313 10.964 1.00 0.00 N ATOM 0 H ARG A 26 -0.670 -16.351 9.250 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.929 -14.143 7.877 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.933 -15.360 10.621 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.428 -13.685 10.478 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.314 -14.202 9.188 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.649 -15.725 8.629 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.174 -16.851 10.608 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.141 -15.391 11.578 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.284 -14.953 9.892 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.313 -17.574 12.048 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.976 -18.053 12.403 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.418 -15.573 10.354 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.726 -16.925 11.449 1.00 0.00 H new ATOM 425 N ASN A 27 -0.573 -12.160 8.490 1.00 0.00 N ATOM 426 CA ASN A 27 0.308 -11.020 8.719 1.00 0.00 C ATOM 427 C ASN A 27 -0.460 -9.707 8.599 1.00 0.00 C ATOM 428 O ASN A 27 -1.350 -9.571 7.760 1.00 0.00 O ATOM 429 CB ASN A 27 1.469 -11.038 7.723 1.00 0.00 C ATOM 430 CG ASN A 27 2.645 -11.856 8.220 1.00 0.00 C ATOM 431 OD1 ASN A 27 3.143 -12.737 7.520 1.00 0.00 O ATOM 432 ND2 ASN A 27 3.095 -11.566 9.436 1.00 0.00 N ATOM 0 H ASN A 27 -1.336 -11.980 7.837 1.00 0.00 H new ATOM 0 HA ASN A 27 0.706 -11.097 9.731 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.123 -11.445 6.773 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.796 -10.016 7.532 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.884 -12.082 9.824 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.651 -10.827 9.981 1.00 0.00 H new ATOM 439 N TRP A 28 -0.108 -8.743 9.443 1.00 0.00 N ATOM 440 CA TRP A 28 -0.764 -7.440 9.431 1.00 0.00 C ATOM 441 C TRP A 28 0.027 -6.441 8.594 1.00 0.00 C ATOM 442 O TRP A 28 1.000 -5.853 9.067 1.00 0.00 O ATOM 443 CB TRP A 28 -0.925 -6.915 10.858 1.00 0.00 C ATOM 444 CG TRP A 28 -1.309 -5.467 10.918 1.00 0.00 C ATOM 445 CD1 TRP A 28 -0.463 -4.395 10.931 1.00 0.00 C ATOM 446 CD2 TRP A 28 -2.636 -4.935 10.975 1.00 0.00 C ATOM 447 NE1 TRP A 28 -1.185 -3.228 10.993 1.00 0.00 N ATOM 448 CE2 TRP A 28 -2.521 -3.531 11.020 1.00 0.00 C ATOM 449 CE3 TRP A 28 -3.912 -5.506 10.990 1.00 0.00 C ATOM 450 CZ2 TRP A 28 -3.632 -2.695 11.080 1.00 0.00 C ATOM 451 CZ3 TRP A 28 -5.014 -4.674 11.050 1.00 0.00 C ATOM 452 CH2 TRP A 28 -4.868 -3.281 11.094 1.00 0.00 C ATOM 0 H TRP A 28 0.627 -8.839 10.144 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.750 -7.560 8.983 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.683 -7.506 11.372 1.00 0.00 H new ATOM 0 HB3 TRP A 28 0.011 -7.058 11.398 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.615 -4.456 10.897 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.790 -2.288 11.015 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -4.034 -6.578 10.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.522 -1.621 11.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -6.004 -5.105 11.063 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.749 -2.658 11.140 1.00 0.00 H new ATOM 463 N PHE A 29 -0.396 -6.253 7.348 1.00 0.00 N ATOM 464 CA PHE A 29 0.273 -5.324 6.445 1.00 0.00 C ATOM 465 C PHE A 29 -0.221 -3.898 6.667 1.00 0.00 C ATOM 466 O PHE A 29 -1.389 -3.591 6.434 1.00 0.00 O ATOM 467 CB PHE A 29 0.040 -5.736 4.991 1.00 0.00 C ATOM 468 CG PHE A 29 0.831 -6.943 4.575 1.00 0.00 C ATOM 469 CD1 PHE A 29 0.479 -8.207 5.020 1.00 0.00 C ATOM 470 CD2 PHE A 29 1.929 -6.814 3.739 1.00 0.00 C ATOM 471 CE1 PHE A 29 1.205 -9.319 4.639 1.00 0.00 C ATOM 472 CE2 PHE A 29 2.658 -7.923 3.354 1.00 0.00 C ATOM 473 CZ PHE A 29 2.297 -9.177 3.806 1.00 0.00 C ATOM 0 H PHE A 29 -1.199 -6.732 6.941 1.00 0.00 H new ATOM 0 HA PHE A 29 1.342 -5.356 6.658 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.021 -5.939 4.845 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.297 -4.901 4.340 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.373 -8.324 5.673 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.218 -5.836 3.384 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.919 -10.299 4.992 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.510 -7.809 2.700 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.867 -10.045 3.509 1.00 0.00 H new ATOM 483 N ALA A 30 0.678 -3.030 7.121 1.00 0.00 N ATOM 484 CA ALA A 30 0.335 -1.636 7.373 1.00 0.00 C ATOM 485 C ALA A 30 1.085 -0.706 6.425 1.00 0.00 C ATOM 486 O ALA A 30 2.310 -0.766 6.320 1.00 0.00 O ATOM 487 CB ALA A 30 0.635 -1.272 8.820 1.00 0.00 C ATOM 0 H ALA A 30 1.649 -3.268 7.322 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.733 -1.512 7.192 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.374 -0.228 8.994 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.050 -1.908 9.484 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.696 -1.419 9.020 1.00 0.00 H new ATOM 493 N LEU A 31 0.342 0.153 5.737 1.00 0.00 N ATOM 494 CA LEU A 31 0.936 1.097 4.796 1.00 0.00 C ATOM 495 C LEU A 31 1.213 2.437 5.471 1.00 0.00 C ATOM 496 O LEU A 31 0.379 2.952 6.215 1.00 0.00 O ATOM 497 CB LEU A 31 0.013 1.300 3.594 1.00 0.00 C ATOM 498 CG LEU A 31 0.442 2.371 2.591 1.00 0.00 C ATOM 499 CD1 LEU A 31 1.724 1.958 1.885 1.00 0.00 C ATOM 500 CD2 LEU A 31 -0.666 2.630 1.581 1.00 0.00 C ATOM 0 H LEU A 31 -0.673 0.216 5.813 1.00 0.00 H new ATOM 0 HA LEU A 31 1.883 0.681 4.452 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.076 0.351 3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.981 1.554 3.963 1.00 0.00 H new ATOM 0 HG LEU A 31 0.633 3.296 3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.014 2.732 1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.517 1.824 2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.561 1.021 1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.343 3.395 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.889 1.709 1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.561 2.971 2.102 1.00 0.00 H new ATOM 512 N TRP A 32 2.388 2.995 5.204 1.00 0.00 N ATOM 513 CA TRP A 32 2.774 4.277 5.784 1.00 0.00 C ATOM 514 C TRP A 32 2.735 5.383 4.735 1.00 0.00 C ATOM 515 O TRP A 32 3.027 5.149 3.561 1.00 0.00 O ATOM 516 CB TRP A 32 4.174 4.184 6.393 1.00 0.00 C ATOM 517 CG TRP A 32 4.317 3.069 7.385 1.00 0.00 C ATOM 518 CD1 TRP A 32 5.142 1.985 7.286 1.00 0.00 C ATOM 519 CD2 TRP A 32 3.615 2.930 8.625 1.00 0.00 C ATOM 520 NE1 TRP A 32 4.993 1.180 8.390 1.00 0.00 N ATOM 521 CE2 TRP A 32 4.063 1.738 9.226 1.00 0.00 C ATOM 522 CE3 TRP A 32 2.652 3.697 9.286 1.00 0.00 C ATOM 523 CZ2 TRP A 32 3.580 1.297 10.455 1.00 0.00 C ATOM 524 CZ3 TRP A 32 2.173 3.258 10.506 1.00 0.00 C ATOM 525 CH2 TRP A 32 2.638 2.068 11.080 1.00 0.00 C ATOM 0 H TRP A 32 3.090 2.581 4.590 1.00 0.00 H new ATOM 0 HA TRP A 32 2.059 4.522 6.570 1.00 0.00 H new ATOM 0 HB2 TRP A 32 4.902 4.045 5.594 1.00 0.00 H new ATOM 0 HB3 TRP A 32 4.413 5.128 6.882 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.812 1.789 6.462 1.00 0.00 H new ATOM 0 HE1 TRP A 32 5.494 0.308 8.559 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.288 4.616 8.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 3.936 0.379 10.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 1.428 3.842 11.025 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.245 1.753 12.035 1.00 0.00 H new ATOM 536 N LEU A 33 2.374 6.587 5.164 1.00 0.00 N ATOM 537 CA LEU A 33 2.297 7.730 4.261 1.00 0.00 C ATOM 538 C LEU A 33 3.638 7.974 3.576 1.00 0.00 C ATOM 539 O LEU A 33 3.693 8.504 2.467 1.00 0.00 O ATOM 540 CB LEU A 33 1.867 8.982 5.027 1.00 0.00 C ATOM 541 CG LEU A 33 0.522 8.899 5.749 1.00 0.00 C ATOM 542 CD1 LEU A 33 -0.161 10.257 5.763 1.00 0.00 C ATOM 543 CD2 LEU A 33 -0.372 7.857 5.092 1.00 0.00 C ATOM 0 H LEU A 33 2.130 6.797 6.132 1.00 0.00 H new ATOM 0 HA LEU A 33 1.554 7.507 3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.637 9.216 5.762 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.830 9.817 4.327 1.00 0.00 H new ATOM 0 HG LEU A 33 0.703 8.596 6.780 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.117 10.178 6.281 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.473 10.978 6.279 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.330 10.590 4.739 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.325 7.811 5.619 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.545 8.130 4.051 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.113 6.882 5.135 1.00 0.00 H new ATOM 555 N ASP A 34 4.717 7.581 4.244 1.00 0.00 N ATOM 556 CA ASP A 34 6.059 7.754 3.699 1.00 0.00 C ATOM 557 C ASP A 34 6.202 7.026 2.367 1.00 0.00 C ATOM 558 O ASP A 34 7.133 7.282 1.604 1.00 0.00 O ATOM 559 CB ASP A 34 7.105 7.242 4.690 1.00 0.00 C ATOM 560 CG ASP A 34 6.830 7.697 6.110 1.00 0.00 C ATOM 561 OD1 ASP A 34 7.141 8.863 6.430 1.00 0.00 O ATOM 562 OD2 ASP A 34 6.303 6.887 6.900 1.00 0.00 O ATOM 0 H ASP A 34 4.689 7.141 5.164 1.00 0.00 H new ATOM 0 HA ASP A 34 6.222 8.818 3.530 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.128 6.153 4.659 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.092 7.591 4.385 1.00 0.00 H new ATOM 567 N GLY A 35 5.273 6.115 2.093 1.00 0.00 N ATOM 568 CA GLY A 35 5.314 5.362 0.853 1.00 0.00 C ATOM 569 C GLY A 35 6.039 4.039 1.002 1.00 0.00 C ATOM 570 O GLY A 35 6.820 3.648 0.134 1.00 0.00 O ATOM 0 H GLY A 35 4.492 5.885 2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.296 5.178 0.509 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.807 5.959 0.085 1.00 0.00 H new ATOM 574 N THR A 36 5.781 3.346 2.107 1.00 0.00 N ATOM 575 CA THR A 36 6.416 2.060 2.369 1.00 0.00 C ATOM 576 C THR A 36 5.404 1.041 2.878 1.00 0.00 C ATOM 577 O THR A 36 4.324 1.403 3.347 1.00 0.00 O ATOM 578 CB THR A 36 7.554 2.195 3.399 1.00 0.00 C ATOM 579 OG1 THR A 36 7.090 2.906 4.552 1.00 0.00 O ATOM 580 CG2 THR A 36 8.747 2.922 2.795 1.00 0.00 C ATOM 0 H THR A 36 5.136 3.654 2.835 1.00 0.00 H new ATOM 0 HA THR A 36 6.831 1.714 1.423 1.00 0.00 H new ATOM 0 HB THR A 36 7.869 1.194 3.693 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.819 2.986 5.202 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.538 3.005 3.541 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.116 2.363 1.935 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.442 3.919 2.476 1.00 0.00 H new ATOM 588 N LEU A 37 5.759 -0.236 2.783 1.00 0.00 N ATOM 589 CA LEU A 37 4.881 -1.310 3.235 1.00 0.00 C ATOM 590 C LEU A 37 5.614 -2.247 4.189 1.00 0.00 C ATOM 591 O LEU A 37 6.517 -2.979 3.785 1.00 0.00 O ATOM 592 CB LEU A 37 4.348 -2.097 2.038 1.00 0.00 C ATOM 593 CG LEU A 37 3.009 -2.807 2.243 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.881 -1.794 2.362 1.00 0.00 C ATOM 595 CD2 LEU A 37 2.739 -3.778 1.103 1.00 0.00 C ATOM 0 H LEU A 37 6.648 -0.553 2.397 1.00 0.00 H new ATOM 0 HA LEU A 37 4.043 -0.861 3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.249 -1.414 1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.092 -2.842 1.758 1.00 0.00 H new ATOM 0 HG LEU A 37 3.059 -3.375 3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.936 -2.317 2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.068 -1.139 3.213 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.829 -1.198 1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.782 -4.274 1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.709 -3.232 0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.532 -4.524 1.065 1.00 0.00 H new ATOM 607 N GLY A 38 5.217 -2.221 5.458 1.00 0.00 N ATOM 608 CA GLY A 38 5.846 -3.075 6.450 1.00 0.00 C ATOM 609 C GLY A 38 4.843 -3.931 7.197 1.00 0.00 C ATOM 610 O GLY A 38 3.820 -3.433 7.668 1.00 0.00 O ATOM 0 H GLY A 38 4.472 -1.624 5.817 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.576 -3.720 5.960 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.394 -2.457 7.162 1.00 0.00 H new ATOM 614 N TYR A 39 5.134 -5.223 7.303 1.00 0.00 N ATOM 615 CA TYR A 39 4.247 -6.152 7.995 1.00 0.00 C ATOM 616 C TYR A 39 4.905 -6.692 9.261 1.00 0.00 C ATOM 617 O TYR A 39 6.020 -7.213 9.221 1.00 0.00 O ATOM 618 CB TYR A 39 3.866 -7.309 7.070 1.00 0.00 C ATOM 619 CG TYR A 39 5.031 -7.865 6.283 1.00 0.00 C ATOM 620 CD1 TYR A 39 5.840 -8.862 6.813 1.00 0.00 C ATOM 621 CD2 TYR A 39 5.323 -7.392 5.009 1.00 0.00 C ATOM 622 CE1 TYR A 39 6.907 -9.372 6.097 1.00 0.00 C ATOM 623 CE2 TYR A 39 6.386 -7.897 4.286 1.00 0.00 C ATOM 624 CZ TYR A 39 7.175 -8.887 4.834 1.00 0.00 C ATOM 625 OH TYR A 39 8.235 -9.393 4.118 1.00 0.00 O ATOM 0 H TYR A 39 5.977 -5.651 6.919 1.00 0.00 H new ATOM 0 HA TYR A 39 3.345 -5.611 8.280 1.00 0.00 H new ATOM 0 HB2 TYR A 39 3.426 -8.109 7.665 1.00 0.00 H new ATOM 0 HB3 TYR A 39 3.098 -6.969 6.375 1.00 0.00 H new ATOM 0 HD1 TYR A 39 5.632 -9.245 7.801 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.708 -6.616 4.577 1.00 0.00 H new ATOM 0 HE1 TYR A 39 7.527 -10.146 6.524 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.598 -7.519 3.297 1.00 0.00 H new ATOM 0 HH TYR A 39 8.286 -8.945 3.248 1.00 0.00 H new ATOM 635 N TYR A 40 4.206 -6.565 10.383 1.00 0.00 N ATOM 636 CA TYR A 40 4.721 -7.039 11.662 1.00 0.00 C ATOM 637 C TYR A 40 3.849 -8.160 12.219 1.00 0.00 C ATOM 638 O TYR A 40 2.779 -8.454 11.685 1.00 0.00 O ATOM 639 CB TYR A 40 4.792 -5.887 12.665 1.00 0.00 C ATOM 640 CG TYR A 40 5.597 -4.705 12.174 1.00 0.00 C ATOM 641 CD1 TYR A 40 5.152 -3.931 11.109 1.00 0.00 C ATOM 642 CD2 TYR A 40 6.803 -4.363 12.773 1.00 0.00 C ATOM 643 CE1 TYR A 40 5.885 -2.850 10.656 1.00 0.00 C ATOM 644 CE2 TYR A 40 7.542 -3.284 12.328 1.00 0.00 C ATOM 645 CZ TYR A 40 7.078 -2.531 11.269 1.00 0.00 C ATOM 646 OH TYR A 40 7.811 -1.455 10.822 1.00 0.00 O ATOM 0 H TYR A 40 3.281 -6.138 10.433 1.00 0.00 H new ATOM 0 HA TYR A 40 5.724 -7.432 11.498 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.780 -5.555 12.897 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.229 -6.252 13.595 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.218 -4.178 10.627 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.169 -4.951 13.601 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.525 -2.259 9.827 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.477 -3.031 12.806 1.00 0.00 H new ATOM 0 HH TYR A 40 8.767 -1.646 10.922 1.00 0.00 H new ATOM 656 N HIS A 41 4.314 -8.782 13.298 1.00 0.00 N ATOM 657 CA HIS A 41 3.577 -9.871 13.930 1.00 0.00 C ATOM 658 C HIS A 41 2.143 -9.450 14.236 1.00 0.00 C ATOM 659 O HIS A 41 1.191 -10.022 13.705 1.00 0.00 O ATOM 660 CB HIS A 41 4.278 -10.310 15.216 1.00 0.00 C ATOM 661 CG HIS A 41 5.298 -11.386 15.005 1.00 0.00 C ATOM 662 ND1 HIS A 41 5.098 -12.458 14.161 1.00 0.00 N ATOM 663 CD2 HIS A 41 6.534 -11.550 15.533 1.00 0.00 C ATOM 664 CE1 HIS A 41 6.165 -13.236 14.181 1.00 0.00 C ATOM 665 NE2 HIS A 41 7.052 -12.707 15.005 1.00 0.00 N ATOM 0 H HIS A 41 5.197 -8.551 13.753 1.00 0.00 H new ATOM 0 HA HIS A 41 3.550 -10.711 13.235 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.763 -9.445 15.669 1.00 0.00 H new ATOM 0 HB3 HIS A 41 3.530 -10.664 15.925 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.022 -10.893 16.238 1.00 0.00 H new ATOM 0 HE1 HIS A 41 6.291 -14.150 13.619 1.00 0.00 H new ATOM 0 HE2 HIS A 41 7.972 -13.095 15.215 1.00 0.00 H new ATOM 674 N ASP A 42 1.996 -8.447 15.095 1.00 0.00 N ATOM 675 CA ASP A 42 0.678 -7.949 15.471 1.00 0.00 C ATOM 676 C ASP A 42 0.577 -6.446 15.233 1.00 0.00 C ATOM 677 O ASP A 42 1.528 -5.816 14.771 1.00 0.00 O ATOM 678 CB ASP A 42 0.391 -8.265 16.940 1.00 0.00 C ATOM 679 CG ASP A 42 1.627 -8.151 17.810 1.00 0.00 C ATOM 680 OD1 ASP A 42 2.255 -7.072 17.808 1.00 0.00 O ATOM 681 OD2 ASP A 42 1.967 -9.141 18.492 1.00 0.00 O ATOM 0 H ASP A 42 2.773 -7.963 15.544 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.064 -8.448 14.848 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.375 -7.585 17.312 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.013 -9.274 17.019 1.00 0.00 H new ATOM 686 N GLU A 43 -0.583 -5.878 15.549 1.00 0.00 N ATOM 687 CA GLU A 43 -0.809 -4.449 15.367 1.00 0.00 C ATOM 688 C GLU A 43 0.381 -3.641 15.879 1.00 0.00 C ATOM 689 O GLU A 43 0.818 -2.684 15.239 1.00 0.00 O ATOM 690 CB GLU A 43 -2.084 -4.015 16.092 1.00 0.00 C ATOM 691 CG GLU A 43 -3.352 -4.604 15.498 1.00 0.00 C ATOM 692 CD GLU A 43 -3.605 -6.027 15.956 1.00 0.00 C ATOM 693 OE1 GLU A 43 -4.084 -6.209 17.094 1.00 0.00 O ATOM 694 OE2 GLU A 43 -3.324 -6.960 15.175 1.00 0.00 O ATOM 0 H GLU A 43 -1.380 -6.386 15.932 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.924 -4.258 14.300 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.014 -4.307 17.140 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.153 -2.927 16.069 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.202 -3.981 15.775 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.283 -4.583 14.410 1.00 0.00 H new ATOM 701 N THR A 44 0.900 -4.033 17.038 1.00 0.00 N ATOM 702 CA THR A 44 2.037 -3.346 17.638 1.00 0.00 C ATOM 703 C THR A 44 3.331 -3.683 16.907 1.00 0.00 C ATOM 704 O THR A 44 3.859 -4.787 17.036 1.00 0.00 O ATOM 705 CB THR A 44 2.191 -3.709 19.127 1.00 0.00 C ATOM 706 OG1 THR A 44 2.079 -5.126 19.299 1.00 0.00 O ATOM 707 CG2 THR A 44 1.137 -3.006 19.968 1.00 0.00 C ATOM 0 H THR A 44 0.551 -4.823 17.580 1.00 0.00 H new ATOM 0 HA THR A 44 1.842 -2.277 17.551 1.00 0.00 H new ATOM 0 HB THR A 44 3.176 -3.379 19.459 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.417 -5.580 18.499 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.266 -3.278 21.016 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.244 -1.927 19.858 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.144 -3.308 19.635 1.00 0.00 H new ATOM 715 N ALA A 45 3.838 -2.724 16.139 1.00 0.00 N ATOM 716 CA ALA A 45 5.073 -2.919 15.389 1.00 0.00 C ATOM 717 C ALA A 45 6.261 -3.106 16.327 1.00 0.00 C ATOM 718 O ALA A 45 6.902 -2.137 16.731 1.00 0.00 O ATOM 719 CB ALA A 45 5.315 -1.742 14.456 1.00 0.00 C ATOM 0 H ALA A 45 3.413 -1.805 16.020 1.00 0.00 H new ATOM 0 HA ALA A 45 4.968 -3.825 14.793 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.240 -1.901 13.902 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.484 -1.655 13.756 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.395 -0.825 15.040 1.00 0.00 H new ATOM 725 N GLN A 46 6.547 -4.359 16.668 1.00 0.00 N ATOM 726 CA GLN A 46 7.657 -4.672 17.560 1.00 0.00 C ATOM 727 C GLN A 46 8.754 -5.429 16.819 1.00 0.00 C ATOM 728 O GLN A 46 9.931 -5.078 16.905 1.00 0.00 O ATOM 729 CB GLN A 46 7.166 -5.498 18.750 1.00 0.00 C ATOM 730 CG GLN A 46 6.309 -4.709 19.726 1.00 0.00 C ATOM 731 CD GLN A 46 6.391 -5.246 21.142 1.00 0.00 C ATOM 732 OE1 GLN A 46 7.254 -4.843 21.922 1.00 0.00 O ATOM 733 NE2 GLN A 46 5.491 -6.162 21.480 1.00 0.00 N ATOM 0 H GLN A 46 6.026 -5.172 16.340 1.00 0.00 H new ATOM 0 HA GLN A 46 8.072 -3.733 17.925 1.00 0.00 H new ATOM 0 HB2 GLN A 46 6.592 -6.347 18.380 1.00 0.00 H new ATOM 0 HB3 GLN A 46 8.028 -5.903 19.281 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.624 -3.665 19.719 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.271 -4.731 19.393 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.794 -6.467 20.801 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.497 -6.561 22.419 1.00 0.00 H new ATOM 742 N ASP A 47 8.361 -6.468 16.091 1.00 0.00 N ATOM 743 CA ASP A 47 9.311 -7.275 15.334 1.00 0.00 C ATOM 744 C ASP A 47 9.198 -6.987 13.840 1.00 0.00 C ATOM 745 O ASP A 47 8.372 -7.580 13.145 1.00 0.00 O ATOM 746 CB ASP A 47 9.075 -8.762 15.599 1.00 0.00 C ATOM 747 CG ASP A 47 9.772 -9.244 16.856 1.00 0.00 C ATOM 748 OD1 ASP A 47 10.967 -8.927 17.030 1.00 0.00 O ATOM 749 OD2 ASP A 47 9.123 -9.939 17.666 1.00 0.00 O ATOM 0 H ASP A 47 7.391 -6.772 16.009 1.00 0.00 H new ATOM 0 HA ASP A 47 10.317 -7.011 15.662 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.004 -8.947 15.687 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.429 -9.341 14.746 1.00 0.00 H new ATOM 754 N GLU A 48 10.031 -6.074 13.353 1.00 0.00 N ATOM 755 CA GLU A 48 10.023 -5.707 11.942 1.00 0.00 C ATOM 756 C GLU A 48 10.470 -6.879 11.072 1.00 0.00 C ATOM 757 O GLU A 48 11.663 -7.160 10.959 1.00 0.00 O ATOM 758 CB GLU A 48 10.933 -4.501 11.700 1.00 0.00 C ATOM 759 CG GLU A 48 10.617 -3.748 10.418 1.00 0.00 C ATOM 760 CD GLU A 48 11.371 -2.437 10.311 1.00 0.00 C ATOM 761 OE1 GLU A 48 12.574 -2.416 10.646 1.00 0.00 O ATOM 762 OE2 GLU A 48 10.759 -1.432 9.894 1.00 0.00 O ATOM 0 H GLU A 48 10.720 -5.574 13.915 1.00 0.00 H new ATOM 0 HA GLU A 48 9.002 -5.443 11.668 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.847 -3.817 12.544 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.969 -4.839 11.667 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.864 -4.376 9.562 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.546 -3.552 10.371 1.00 0.00 H new ATOM 769 N GLU A 49 9.504 -7.557 10.461 1.00 0.00 N ATOM 770 CA GLU A 49 9.799 -8.699 9.603 1.00 0.00 C ATOM 771 C GLU A 49 10.465 -8.248 8.307 1.00 0.00 C ATOM 772 O GLU A 49 11.460 -8.829 7.873 1.00 0.00 O ATOM 773 CB GLU A 49 8.517 -9.473 9.288 1.00 0.00 C ATOM 774 CG GLU A 49 8.171 -10.526 10.327 1.00 0.00 C ATOM 775 CD GLU A 49 7.976 -9.938 11.712 1.00 0.00 C ATOM 776 OE1 GLU A 49 6.862 -9.454 12.000 1.00 0.00 O ATOM 777 OE2 GLU A 49 8.938 -9.963 12.507 1.00 0.00 O ATOM 0 H GLU A 49 8.512 -7.336 10.544 1.00 0.00 H new ATOM 0 HA GLU A 49 10.488 -9.353 10.137 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.689 -8.769 9.206 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.623 -9.955 8.316 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.261 -11.044 10.025 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.965 -11.272 10.362 1.00 0.00 H new ATOM 784 N ASP A 50 9.909 -7.209 7.693 1.00 0.00 N ATOM 785 CA ASP A 50 10.449 -6.679 6.447 1.00 0.00 C ATOM 786 C ASP A 50 9.739 -5.387 6.054 1.00 0.00 C ATOM 787 O ASP A 50 8.751 -4.996 6.675 1.00 0.00 O ATOM 788 CB ASP A 50 10.312 -7.711 5.327 1.00 0.00 C ATOM 789 CG ASP A 50 11.407 -7.586 4.286 1.00 0.00 C ATOM 790 OD1 ASP A 50 12.095 -6.543 4.271 1.00 0.00 O ATOM 791 OD2 ASP A 50 11.578 -8.530 3.488 1.00 0.00 O ATOM 0 H ASP A 50 9.085 -6.717 8.038 1.00 0.00 H new ATOM 0 HA ASP A 50 11.506 -6.460 6.601 1.00 0.00 H new ATOM 0 HB2 ASP A 50 10.335 -8.713 5.756 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.342 -7.593 4.845 1.00 0.00 H new ATOM 796 N ARG A 51 10.251 -4.727 5.020 1.00 0.00 N ATOM 797 CA ARG A 51 9.668 -3.478 4.545 1.00 0.00 C ATOM 798 C ARG A 51 9.947 -3.278 3.059 1.00 0.00 C ATOM 799 O ARG A 51 11.101 -3.251 2.631 1.00 0.00 O ATOM 800 CB ARG A 51 10.223 -2.297 5.343 1.00 0.00 C ATOM 801 CG ARG A 51 9.403 -1.025 5.198 1.00 0.00 C ATOM 802 CD ARG A 51 10.191 0.199 5.638 1.00 0.00 C ATOM 803 NE ARG A 51 11.206 0.578 4.659 1.00 0.00 N ATOM 804 CZ ARG A 51 12.294 1.277 4.962 1.00 0.00 C ATOM 805 NH1 ARG A 51 12.507 1.672 6.210 1.00 0.00 N ATOM 806 NH2 ARG A 51 13.173 1.583 4.016 1.00 0.00 N ATOM 0 H ARG A 51 11.069 -5.037 4.495 1.00 0.00 H new ATOM 0 HA ARG A 51 8.589 -3.531 4.690 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.269 -2.571 6.397 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.245 -2.099 5.020 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.094 -0.906 4.159 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.494 -1.107 5.793 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.507 1.034 5.793 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.669 -0.003 6.596 1.00 0.00 H new ATOM 0 HE ARG A 51 11.072 0.290 3.690 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.834 1.439 6.940 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.344 2.209 6.439 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.013 1.281 3.055 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.008 2.120 4.250 1.00 0.00 H new ATOM 820 N VAL A 52 8.882 -3.139 2.275 1.00 0.00 N ATOM 821 CA VAL A 52 9.011 -2.941 0.837 1.00 0.00 C ATOM 822 C VAL A 52 8.520 -1.557 0.426 1.00 0.00 C ATOM 823 O VAL A 52 7.514 -1.066 0.939 1.00 0.00 O ATOM 824 CB VAL A 52 8.226 -4.007 0.050 1.00 0.00 C ATOM 825 CG1 VAL A 52 8.797 -5.392 0.311 1.00 0.00 C ATOM 826 CG2 VAL A 52 6.749 -3.954 0.412 1.00 0.00 C ATOM 0 H VAL A 52 7.920 -3.160 2.613 1.00 0.00 H new ATOM 0 HA VAL A 52 10.071 -3.033 0.599 1.00 0.00 H new ATOM 0 HB VAL A 52 8.325 -3.794 -1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.229 -6.132 -0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.841 -5.420 -0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.730 -5.618 1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 52 6.208 -4.714 -0.153 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.629 -4.141 1.479 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.350 -2.969 0.169 1.00 0.00 H new ATOM 836 N VAL A 53 9.236 -0.932 -0.503 1.00 0.00 N ATOM 837 CA VAL A 53 8.873 0.395 -0.985 1.00 0.00 C ATOM 838 C VAL A 53 7.592 0.348 -1.810 1.00 0.00 C ATOM 839 O VAL A 53 7.420 -0.528 -2.658 1.00 0.00 O ATOM 840 CB VAL A 53 9.998 1.010 -1.838 1.00 0.00 C ATOM 841 CG1 VAL A 53 9.643 2.433 -2.244 1.00 0.00 C ATOM 842 CG2 VAL A 53 11.318 0.976 -1.083 1.00 0.00 C ATOM 0 H VAL A 53 10.072 -1.324 -0.937 1.00 0.00 H new ATOM 0 HA VAL A 53 8.713 1.018 -0.105 1.00 0.00 H new ATOM 0 HB VAL A 53 10.109 0.416 -2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.449 2.852 -2.846 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.721 2.426 -2.826 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.503 3.042 -1.351 1.00 0.00 H new ATOM 0 HG21 VAL A 53 12.102 1.414 -1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 53 11.223 1.546 -0.159 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.576 -0.057 -0.848 1.00 0.00 H new ATOM 852 N ILE A 54 6.696 1.296 -1.556 1.00 0.00 N ATOM 853 CA ILE A 54 5.431 1.364 -2.277 1.00 0.00 C ATOM 854 C ILE A 54 5.439 2.497 -3.297 1.00 0.00 C ATOM 855 O ILE A 54 4.987 2.331 -4.430 1.00 0.00 O ATOM 856 CB ILE A 54 4.245 1.563 -1.315 1.00 0.00 C ATOM 857 CG1 ILE A 54 4.056 0.322 -0.440 1.00 0.00 C ATOM 858 CG2 ILE A 54 2.975 1.865 -2.096 1.00 0.00 C ATOM 859 CD1 ILE A 54 3.398 -0.833 -1.162 1.00 0.00 C ATOM 0 H ILE A 54 6.823 2.027 -0.856 1.00 0.00 H new ATOM 0 HA ILE A 54 5.312 0.413 -2.796 1.00 0.00 H new ATOM 0 HB ILE A 54 4.461 2.412 -0.667 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.028 -0.000 -0.066 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.453 0.588 0.428 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.146 2.003 -1.402 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.115 2.774 -2.680 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.753 1.034 -2.766 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.296 -1.678 -0.481 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.412 -0.529 -1.512 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.011 -1.126 -2.014 1.00 0.00 H new ATOM 871 N HIS A 55 5.959 3.650 -2.888 1.00 0.00 N ATOM 872 CA HIS A 55 6.029 4.812 -3.767 1.00 0.00 C ATOM 873 C HIS A 55 6.654 4.441 -5.109 1.00 0.00 C ATOM 874 O HIS A 55 7.784 3.956 -5.166 1.00 0.00 O ATOM 875 CB HIS A 55 6.837 5.930 -3.107 1.00 0.00 C ATOM 876 CG HIS A 55 6.693 7.256 -3.788 1.00 0.00 C ATOM 877 ND1 HIS A 55 7.659 8.239 -3.734 1.00 0.00 N ATOM 878 CD2 HIS A 55 5.688 7.758 -4.543 1.00 0.00 C ATOM 879 CE1 HIS A 55 7.253 9.289 -4.425 1.00 0.00 C ATOM 880 NE2 HIS A 55 6.061 9.023 -4.926 1.00 0.00 N ATOM 0 H HIS A 55 6.338 3.805 -1.954 1.00 0.00 H new ATOM 0 HA HIS A 55 5.013 5.164 -3.944 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.523 6.029 -2.068 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.890 5.649 -3.097 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.765 7.257 -4.797 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.803 10.209 -4.558 1.00 0.00 H new ATOM 0 HE2 HIS A 55 5.507 9.655 -5.504 1.00 0.00 H new ATOM 889 N PHE A 56 5.910 4.671 -6.186 1.00 0.00 N ATOM 890 CA PHE A 56 6.390 4.359 -7.527 1.00 0.00 C ATOM 891 C PHE A 56 7.233 3.087 -7.521 1.00 0.00 C ATOM 892 O PHE A 56 8.309 3.041 -8.115 1.00 0.00 O ATOM 893 CB PHE A 56 7.210 5.526 -8.082 1.00 0.00 C ATOM 894 CG PHE A 56 6.368 6.654 -8.605 1.00 0.00 C ATOM 895 CD1 PHE A 56 5.751 6.561 -9.842 1.00 0.00 C ATOM 896 CD2 PHE A 56 6.194 7.809 -7.859 1.00 0.00 C ATOM 897 CE1 PHE A 56 4.976 7.599 -10.325 1.00 0.00 C ATOM 898 CE2 PHE A 56 5.420 8.850 -8.337 1.00 0.00 C ATOM 899 CZ PHE A 56 4.810 8.744 -9.571 1.00 0.00 C ATOM 0 H PHE A 56 4.973 5.072 -6.156 1.00 0.00 H new ATOM 0 HA PHE A 56 5.523 4.196 -8.168 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.865 5.905 -7.297 1.00 0.00 H new ATOM 0 HB3 PHE A 56 7.852 5.160 -8.884 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.877 5.668 -10.436 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.669 7.897 -6.893 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.501 7.514 -11.291 1.00 0.00 H new ATOM 0 HE2 PHE A 56 5.293 9.745 -7.746 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.204 9.555 -9.946 1.00 0.00 H new ATOM 909 N ASN A 57 6.736 2.058 -6.844 1.00 0.00 N ATOM 910 CA ASN A 57 7.443 0.785 -6.758 1.00 0.00 C ATOM 911 C ASN A 57 6.570 -0.358 -7.266 1.00 0.00 C ATOM 912 O ASN A 57 7.074 -1.396 -7.694 1.00 0.00 O ATOM 913 CB ASN A 57 7.872 0.512 -5.315 1.00 0.00 C ATOM 914 CG ASN A 57 9.144 -0.310 -5.236 1.00 0.00 C ATOM 915 OD1 ASN A 57 10.198 0.109 -5.715 1.00 0.00 O ATOM 916 ND2 ASN A 57 9.051 -1.487 -4.629 1.00 0.00 N ATOM 0 H ASN A 57 5.846 2.080 -6.346 1.00 0.00 H new ATOM 0 HA ASN A 57 8.330 0.848 -7.388 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.022 1.460 -4.798 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.071 -0.012 -4.794 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.874 -2.084 -4.545 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.157 -1.794 -4.246 1.00 0.00 H new ATOM 923 N VAL A 58 5.256 -0.159 -7.215 1.00 0.00 N ATOM 924 CA VAL A 58 4.312 -1.172 -7.671 1.00 0.00 C ATOM 925 C VAL A 58 4.177 -1.154 -9.190 1.00 0.00 C ATOM 926 O VAL A 58 3.525 -0.276 -9.754 1.00 0.00 O ATOM 927 CB VAL A 58 2.922 -0.968 -7.041 1.00 0.00 C ATOM 928 CG1 VAL A 58 1.960 -2.050 -7.506 1.00 0.00 C ATOM 929 CG2 VAL A 58 3.023 -0.949 -5.523 1.00 0.00 C ATOM 0 H VAL A 58 4.822 0.694 -6.863 1.00 0.00 H new ATOM 0 HA VAL A 58 4.708 -2.138 -7.356 1.00 0.00 H new ATOM 0 HB VAL A 58 2.532 -0.004 -7.369 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.983 -1.889 -7.050 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.865 -2.011 -8.591 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.341 -3.027 -7.211 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.031 -0.804 -5.094 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.434 -1.896 -5.174 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.676 -0.133 -5.212 1.00 0.00 H new ATOM 939 N ARG A 59 4.797 -2.130 -9.845 1.00 0.00 N ATOM 940 CA ARG A 59 4.747 -2.226 -11.299 1.00 0.00 C ATOM 941 C ARG A 59 3.367 -2.676 -11.767 1.00 0.00 C ATOM 942 O ARG A 59 2.854 -2.194 -12.777 1.00 0.00 O ATOM 943 CB ARG A 59 5.812 -3.201 -11.804 1.00 0.00 C ATOM 944 CG ARG A 59 6.315 -2.883 -13.203 1.00 0.00 C ATOM 945 CD ARG A 59 7.500 -1.930 -13.165 1.00 0.00 C ATOM 946 NE ARG A 59 8.771 -2.642 -13.052 1.00 0.00 N ATOM 947 CZ ARG A 59 9.398 -3.194 -14.084 1.00 0.00 C ATOM 948 NH1 ARG A 59 8.876 -3.118 -15.300 1.00 0.00 N ATOM 949 NH2 ARG A 59 10.551 -3.825 -13.900 1.00 0.00 N ATOM 0 H ARG A 59 5.340 -2.865 -9.392 1.00 0.00 H new ATOM 0 HA ARG A 59 4.946 -1.236 -11.710 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.655 -3.194 -11.114 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.401 -4.211 -11.795 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.605 -3.806 -13.705 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.509 -2.441 -13.789 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.505 -1.321 -14.069 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.390 -1.248 -12.322 1.00 0.00 H new ATOM 0 HE ARG A 59 9.200 -2.719 -12.130 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.990 -2.634 -15.445 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.360 -3.543 -16.090 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.956 -3.886 -12.966 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.033 -4.249 -14.693 1.00 0.00 H new ATOM 963 N ASP A 60 2.771 -3.605 -11.026 1.00 0.00 N ATOM 964 CA ASP A 60 1.449 -4.120 -11.365 1.00 0.00 C ATOM 965 C ASP A 60 0.822 -4.832 -10.170 1.00 0.00 C ATOM 966 O ASP A 60 1.510 -5.180 -9.211 1.00 0.00 O ATOM 967 CB ASP A 60 1.541 -5.078 -12.554 1.00 0.00 C ATOM 968 CG ASP A 60 2.697 -6.051 -12.425 1.00 0.00 C ATOM 969 OD1 ASP A 60 3.857 -5.618 -12.587 1.00 0.00 O ATOM 970 OD2 ASP A 60 2.442 -7.245 -12.163 1.00 0.00 O ATOM 0 H ASP A 60 3.182 -4.016 -10.188 1.00 0.00 H new ATOM 0 HA ASP A 60 0.815 -3.276 -11.637 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.608 -5.636 -12.641 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.655 -4.503 -13.473 1.00 0.00 H new ATOM 975 N ILE A 61 -0.489 -5.042 -10.235 1.00 0.00 N ATOM 976 CA ILE A 61 -1.209 -5.712 -9.159 1.00 0.00 C ATOM 977 C ILE A 61 -2.387 -6.513 -9.701 1.00 0.00 C ATOM 978 O ILE A 61 -3.268 -5.970 -10.368 1.00 0.00 O ATOM 979 CB ILE A 61 -1.725 -4.704 -8.115 1.00 0.00 C ATOM 980 CG1 ILE A 61 -0.554 -3.956 -7.474 1.00 0.00 C ATOM 981 CG2 ILE A 61 -2.549 -5.417 -7.053 1.00 0.00 C ATOM 982 CD1 ILE A 61 -0.979 -2.964 -6.414 1.00 0.00 C ATOM 0 H ILE A 61 -1.074 -4.758 -11.021 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.502 -6.390 -8.680 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.364 -3.978 -8.617 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.130 -4.680 -7.030 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.000 -3.430 -8.251 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.907 -4.692 -6.322 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.401 -5.909 -7.523 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.931 -6.162 -6.552 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.098 -2.471 -6.003 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.639 -2.218 -6.857 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.507 -3.487 -5.617 1.00 0.00 H new ATOM 994 N LYS A 62 -2.398 -7.810 -9.409 1.00 0.00 N ATOM 995 CA LYS A 62 -3.470 -8.688 -9.864 1.00 0.00 C ATOM 996 C LYS A 62 -4.322 -9.159 -8.690 1.00 0.00 C ATOM 997 O LYS A 62 -3.837 -9.275 -7.565 1.00 0.00 O ATOM 998 CB LYS A 62 -2.889 -9.895 -10.603 1.00 0.00 C ATOM 999 CG LYS A 62 -1.840 -9.527 -11.639 1.00 0.00 C ATOM 1000 CD LYS A 62 -1.102 -10.755 -12.146 1.00 0.00 C ATOM 1001 CE LYS A 62 -0.567 -10.542 -13.553 1.00 0.00 C ATOM 1002 NZ LYS A 62 -1.630 -10.711 -14.582 1.00 0.00 N ATOM 0 H LYS A 62 -1.676 -8.276 -8.859 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.104 -8.123 -10.547 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.447 -10.577 -9.877 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.699 -10.434 -11.094 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.317 -9.017 -12.476 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.127 -8.827 -11.203 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.277 -10.988 -11.473 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.773 -11.614 -12.137 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.141 -9.542 -13.632 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.240 -11.249 -13.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.225 -10.558 -15.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.019 -11.674 -14.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.389 -10.020 -14.414 1.00 0.00 H new ATOM 1016 N VAL A 63 -5.595 -9.430 -8.960 1.00 0.00 N ATOM 1017 CA VAL A 63 -6.515 -9.891 -7.927 1.00 0.00 C ATOM 1018 C VAL A 63 -7.463 -10.954 -8.470 1.00 0.00 C ATOM 1019 O VAL A 63 -8.034 -10.799 -9.549 1.00 0.00 O ATOM 1020 CB VAL A 63 -7.342 -8.727 -7.351 1.00 0.00 C ATOM 1021 CG1 VAL A 63 -8.363 -9.242 -6.348 1.00 0.00 C ATOM 1022 CG2 VAL A 63 -6.430 -7.691 -6.712 1.00 0.00 C ATOM 0 H VAL A 63 -6.013 -9.338 -9.886 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.907 -10.323 -7.132 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.881 -8.248 -8.168 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.938 -8.405 -5.952 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.036 -9.943 -6.841 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.848 -9.747 -5.531 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.031 -6.875 -6.310 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.862 -8.154 -5.906 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.742 -7.300 -7.462 1.00 0.00 H new ATOM 1032 N GLY A 64 -7.627 -12.035 -7.714 1.00 0.00 N ATOM 1033 CA GLY A 64 -8.508 -13.109 -8.135 1.00 0.00 C ATOM 1034 C GLY A 64 -7.976 -13.856 -9.342 1.00 0.00 C ATOM 1035 O GLY A 64 -6.775 -14.103 -9.446 1.00 0.00 O ATOM 0 H GLY A 64 -7.165 -12.186 -6.817 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.644 -13.808 -7.310 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.490 -12.698 -8.370 1.00 0.00 H new ATOM 1039 N GLN A 65 -8.872 -14.217 -10.255 1.00 0.00 N ATOM 1040 CA GLN A 65 -8.484 -14.943 -11.459 1.00 0.00 C ATOM 1041 C GLN A 65 -7.197 -14.375 -12.046 1.00 0.00 C ATOM 1042 O GLN A 65 -6.361 -15.115 -12.563 1.00 0.00 O ATOM 1043 CB GLN A 65 -9.604 -14.881 -12.499 1.00 0.00 C ATOM 1044 CG GLN A 65 -9.512 -15.968 -13.558 1.00 0.00 C ATOM 1045 CD GLN A 65 -10.508 -15.772 -14.684 1.00 0.00 C ATOM 1046 OE1 GLN A 65 -11.231 -14.776 -14.722 1.00 0.00 O ATOM 1047 NE2 GLN A 65 -10.550 -16.723 -15.610 1.00 0.00 N ATOM 0 H GLN A 65 -9.870 -14.019 -10.184 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.308 -15.983 -11.185 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.565 -14.961 -11.991 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.582 -13.907 -12.987 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.503 -15.984 -13.970 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.682 -16.939 -13.092 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.932 -17.532 -15.539 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.200 -16.645 -16.392 1.00 0.00 H new ATOM 1056 N GLU A 66 -7.045 -13.057 -11.963 1.00 0.00 N ATOM 1057 CA GLU A 66 -5.859 -12.390 -12.488 1.00 0.00 C ATOM 1058 C GLU A 66 -4.587 -13.038 -11.947 1.00 0.00 C ATOM 1059 O GLU A 66 -3.629 -13.262 -12.688 1.00 0.00 O ATOM 1060 CB GLU A 66 -5.880 -10.904 -12.127 1.00 0.00 C ATOM 1061 CG GLU A 66 -7.146 -10.189 -12.568 1.00 0.00 C ATOM 1062 CD GLU A 66 -7.043 -8.682 -12.432 1.00 0.00 C ATOM 1063 OE1 GLU A 66 -6.874 -8.199 -11.293 1.00 0.00 O ATOM 1064 OE2 GLU A 66 -7.131 -7.986 -13.465 1.00 0.00 O ATOM 0 H GLU A 66 -7.728 -12.430 -11.537 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.866 -12.493 -13.573 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.771 -10.799 -11.048 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.019 -10.416 -12.583 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.359 -10.443 -13.607 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.987 -10.547 -11.974 1.00 0.00 H new ATOM 1071 N CYS A 67 -4.586 -13.334 -10.652 1.00 0.00 N ATOM 1072 CA CYS A 67 -3.432 -13.954 -10.011 1.00 0.00 C ATOM 1073 C CYS A 67 -3.094 -15.287 -10.671 1.00 0.00 C ATOM 1074 O CYS A 67 -3.907 -15.851 -11.402 1.00 0.00 O ATOM 1075 CB CYS A 67 -3.702 -14.163 -8.520 1.00 0.00 C ATOM 1076 SG CYS A 67 -3.922 -12.630 -7.587 1.00 0.00 S ATOM 0 H CYS A 67 -5.371 -13.155 -10.026 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.579 -13.285 -10.128 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.596 -14.776 -8.406 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -2.874 -14.724 -8.087 1.00 0.00 H new ATOM 0 HG CYS A 67 -3.333 -12.736 -6.433 1.00 0.00 H new ATOM 1144 N PRO A 72 -5.749 -21.323 -3.097 1.00 0.00 N ATOM 1145 CA PRO A 72 -6.202 -20.595 -1.908 1.00 0.00 C ATOM 1146 C PRO A 72 -6.341 -21.503 -0.690 1.00 0.00 C ATOM 1147 O PRO A 72 -6.672 -22.683 -0.800 1.00 0.00 O ATOM 1148 CB PRO A 72 -7.569 -20.048 -2.326 1.00 0.00 C ATOM 1149 CG PRO A 72 -8.041 -20.980 -3.388 1.00 0.00 C ATOM 1150 CD PRO A 72 -6.807 -21.440 -4.114 1.00 0.00 C ATOM 0 HA PRO A 72 -5.493 -19.824 -1.608 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.261 -20.025 -1.484 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.489 -19.028 -2.701 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.577 -21.825 -2.956 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.730 -20.480 -4.068 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.909 -22.465 -4.471 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.598 -20.818 -4.985 1.00 0.00 H new ATOM 1158 N PRO A 73 -6.083 -20.941 0.500 1.00 0.00 N ATOM 1159 CA PRO A 73 -6.173 -21.682 1.762 1.00 0.00 C ATOM 1160 C PRO A 73 -7.612 -22.029 2.128 1.00 0.00 C ATOM 1161 O PRO A 73 -8.545 -21.316 1.758 1.00 0.00 O ATOM 1162 CB PRO A 73 -5.580 -20.712 2.787 1.00 0.00 C ATOM 1163 CG PRO A 73 -5.791 -19.361 2.195 1.00 0.00 C ATOM 1164 CD PRO A 73 -5.682 -19.539 0.706 1.00 0.00 C ATOM 0 HA PRO A 73 -5.653 -22.639 1.711 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.077 -20.803 3.753 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.521 -20.910 2.954 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.768 -18.963 2.470 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.045 -18.655 2.559 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.336 -18.851 0.170 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.667 -19.355 0.352 1.00 0.00 H new ATOM 1172 N GLU A 74 -7.785 -23.127 2.857 1.00 0.00 N ATOM 1173 CA GLU A 74 -9.111 -23.567 3.273 1.00 0.00 C ATOM 1174 C GLU A 74 -9.988 -22.375 3.647 1.00 0.00 C ATOM 1175 O GLU A 74 -9.503 -21.378 4.180 1.00 0.00 O ATOM 1176 CB GLU A 74 -9.006 -24.529 4.458 1.00 0.00 C ATOM 1177 CG GLU A 74 -10.318 -25.211 4.807 1.00 0.00 C ATOM 1178 CD GLU A 74 -10.119 -26.489 5.598 1.00 0.00 C ATOM 1179 OE1 GLU A 74 -9.802 -26.397 6.803 1.00 0.00 O ATOM 1180 OE2 GLU A 74 -10.279 -27.580 5.013 1.00 0.00 O ATOM 0 H GLU A 74 -7.023 -23.728 3.172 1.00 0.00 H new ATOM 0 HA GLU A 74 -9.573 -24.086 2.433 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.259 -25.290 4.232 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.648 -23.981 5.330 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.938 -24.524 5.383 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.861 -25.437 3.889 1.00 0.00 H new ATOM 1187 N GLY A 75 -11.282 -22.487 3.362 1.00 0.00 N ATOM 1188 CA GLY A 75 -12.205 -21.412 3.675 1.00 0.00 C ATOM 1189 C GLY A 75 -12.146 -20.285 2.663 1.00 0.00 C ATOM 1190 O GLY A 75 -13.158 -19.932 2.057 1.00 0.00 O ATOM 0 H GLY A 75 -11.707 -23.302 2.920 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.220 -21.808 3.714 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.978 -21.019 4.666 1.00 0.00 H new ATOM 1194 N ARG A 76 -10.959 -19.716 2.482 1.00 0.00 N ATOM 1195 CA ARG A 76 -10.773 -18.620 1.539 1.00 0.00 C ATOM 1196 C ARG A 76 -11.160 -19.046 0.126 1.00 0.00 C ATOM 1197 O ARG A 76 -11.353 -20.231 -0.145 1.00 0.00 O ATOM 1198 CB ARG A 76 -9.320 -18.142 1.559 1.00 0.00 C ATOM 1199 CG ARG A 76 -9.054 -17.042 2.574 1.00 0.00 C ATOM 1200 CD ARG A 76 -9.358 -17.505 3.990 1.00 0.00 C ATOM 1201 NE ARG A 76 -8.206 -18.151 4.613 1.00 0.00 N ATOM 1202 CZ ARG A 76 -8.251 -18.752 5.797 1.00 0.00 C ATOM 1203 NH1 ARG A 76 -9.385 -18.789 6.482 1.00 0.00 N ATOM 1204 NH2 ARG A 76 -7.160 -19.318 6.298 1.00 0.00 N ATOM 0 H ARG A 76 -10.112 -19.996 2.976 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.423 -17.799 1.843 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.671 -18.990 1.776 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.052 -17.781 0.566 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.012 -16.729 2.508 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.664 -16.171 2.336 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.665 -16.650 4.593 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.198 -18.200 3.972 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.318 -18.140 4.112 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.226 -18.355 6.100 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.417 -19.251 7.391 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.285 -19.292 5.774 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.196 -19.779 7.207 1.00 0.00 H new ATOM 1218 N SER A 77 -11.271 -18.072 -0.771 1.00 0.00 N ATOM 1219 CA SER A 77 -11.639 -18.346 -2.156 1.00 0.00 C ATOM 1220 C SER A 77 -10.605 -17.767 -3.117 1.00 0.00 C ATOM 1221 O SER A 77 -9.739 -16.988 -2.719 1.00 0.00 O ATOM 1222 CB SER A 77 -13.020 -17.764 -2.463 1.00 0.00 C ATOM 1223 OG SER A 77 -14.040 -18.495 -1.803 1.00 0.00 O ATOM 0 H SER A 77 -11.112 -17.086 -0.564 1.00 0.00 H new ATOM 0 HA SER A 77 -11.670 -19.427 -2.291 1.00 0.00 H new ATOM 0 HB2 SER A 77 -13.056 -16.720 -2.151 1.00 0.00 H new ATOM 0 HB3 SER A 77 -13.194 -17.781 -3.539 1.00 0.00 H new ATOM 0 HG SER A 77 -14.913 -18.102 -2.014 1.00 0.00 H new ATOM 1229 N ARG A 78 -10.704 -18.154 -4.385 1.00 0.00 N ATOM 1230 CA ARG A 78 -9.777 -17.676 -5.404 1.00 0.00 C ATOM 1231 C ARG A 78 -9.892 -16.164 -5.575 1.00 0.00 C ATOM 1232 O ARG A 78 -8.898 -15.480 -5.823 1.00 0.00 O ATOM 1233 CB ARG A 78 -10.049 -18.373 -6.738 1.00 0.00 C ATOM 1234 CG ARG A 78 -9.316 -19.696 -6.894 1.00 0.00 C ATOM 1235 CD ARG A 78 -9.038 -20.009 -8.356 1.00 0.00 C ATOM 1236 NE ARG A 78 -7.806 -19.382 -8.825 1.00 0.00 N ATOM 1237 CZ ARG A 78 -7.485 -19.262 -10.109 1.00 0.00 C ATOM 1238 NH1 ARG A 78 -8.301 -19.725 -11.045 1.00 0.00 N ATOM 1239 NH2 ARG A 78 -6.345 -18.679 -10.458 1.00 0.00 N ATOM 0 H ARG A 78 -11.416 -18.797 -4.731 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.764 -17.912 -5.079 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.121 -18.547 -6.836 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.759 -17.708 -7.552 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.376 -19.660 -6.343 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.911 -20.497 -6.456 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.969 -21.089 -8.489 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.874 -19.666 -8.965 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.156 -19.016 -8.129 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.178 -20.175 -10.781 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.053 -19.632 -12.030 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.714 -18.322 -9.740 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.100 -18.588 -11.444 1.00 0.00 H new ATOM 1253 N ASP A 79 -11.109 -15.649 -5.443 1.00 0.00 N ATOM 1254 CA ASP A 79 -11.354 -14.218 -5.583 1.00 0.00 C ATOM 1255 C ASP A 79 -10.605 -13.431 -4.512 1.00 0.00 C ATOM 1256 O ASP A 79 -10.533 -12.204 -4.564 1.00 0.00 O ATOM 1257 CB ASP A 79 -12.852 -13.924 -5.495 1.00 0.00 C ATOM 1258 CG ASP A 79 -13.669 -14.798 -6.425 1.00 0.00 C ATOM 1259 OD1 ASP A 79 -13.651 -16.034 -6.247 1.00 0.00 O ATOM 1260 OD2 ASP A 79 -14.327 -14.246 -7.332 1.00 0.00 O ATOM 0 H ASP A 79 -11.942 -16.201 -5.239 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.987 -13.906 -6.561 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.189 -14.075 -4.470 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.028 -12.876 -5.738 1.00 0.00 H new ATOM 1265 N GLY A 80 -10.048 -14.147 -3.539 1.00 0.00 N ATOM 1266 CA GLY A 80 -9.312 -13.500 -2.469 1.00 0.00 C ATOM 1267 C GLY A 80 -7.849 -13.297 -2.810 1.00 0.00 C ATOM 1268 O GLY A 80 -7.203 -12.387 -2.290 1.00 0.00 O ATOM 0 H GLY A 80 -10.094 -15.164 -3.473 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.768 -12.534 -2.251 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.390 -14.101 -1.563 1.00 0.00 H new ATOM 1272 N LEU A 81 -7.325 -14.148 -3.685 1.00 0.00 N ATOM 1273 CA LEU A 81 -5.927 -14.060 -4.094 1.00 0.00 C ATOM 1274 C LEU A 81 -5.564 -12.632 -4.488 1.00 0.00 C ATOM 1275 O LEU A 81 -6.365 -11.922 -5.098 1.00 0.00 O ATOM 1276 CB LEU A 81 -5.657 -15.008 -5.264 1.00 0.00 C ATOM 1277 CG LEU A 81 -5.280 -16.443 -4.892 1.00 0.00 C ATOM 1278 CD1 LEU A 81 -6.081 -16.910 -3.686 1.00 0.00 C ATOM 1279 CD2 LEU A 81 -5.500 -17.376 -6.074 1.00 0.00 C ATOM 0 H LEU A 81 -7.846 -14.906 -4.125 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.307 -14.352 -3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.546 -15.039 -5.893 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.853 -14.587 -5.868 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.222 -16.464 -4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.799 -17.933 -3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.873 -16.259 -2.837 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.145 -16.873 -3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.227 -18.392 -5.791 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.550 -17.351 -6.367 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.882 -17.054 -6.912 1.00 0.00 H new ATOM 1291 N LEU A 82 -4.352 -12.218 -4.138 1.00 0.00 N ATOM 1292 CA LEU A 82 -3.881 -10.874 -4.457 1.00 0.00 C ATOM 1293 C LEU A 82 -2.362 -10.849 -4.600 1.00 0.00 C ATOM 1294 O LEU A 82 -1.632 -11.011 -3.622 1.00 0.00 O ATOM 1295 CB LEU A 82 -4.318 -9.888 -3.372 1.00 0.00 C ATOM 1296 CG LEU A 82 -3.520 -8.587 -3.287 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -3.858 -7.676 -4.456 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -3.788 -7.882 -1.965 1.00 0.00 C ATOM 0 H LEU A 82 -3.677 -12.793 -3.633 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.323 -10.577 -5.408 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.366 -9.638 -3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.259 -10.391 -2.407 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.459 -8.831 -3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.280 -6.755 -4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.615 -8.179 -5.392 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.922 -7.440 -4.437 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.212 -6.958 -1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.850 -7.651 -1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.494 -8.531 -1.140 1.00 0.00 H new ATOM 1310 N THR A 83 -1.892 -10.643 -5.827 1.00 0.00 N ATOM 1311 CA THR A 83 -0.461 -10.596 -6.099 1.00 0.00 C ATOM 1312 C THR A 83 -0.021 -9.188 -6.485 1.00 0.00 C ATOM 1313 O THR A 83 -0.664 -8.528 -7.301 1.00 0.00 O ATOM 1314 CB THR A 83 -0.071 -11.570 -7.226 1.00 0.00 C ATOM 1315 OG1 THR A 83 -0.482 -12.900 -6.889 1.00 0.00 O ATOM 1316 CG2 THR A 83 1.430 -11.544 -7.468 1.00 0.00 C ATOM 0 H THR A 83 -2.482 -10.506 -6.648 1.00 0.00 H new ATOM 0 HA THR A 83 0.045 -10.893 -5.181 1.00 0.00 H new ATOM 0 HB THR A 83 -0.576 -11.255 -8.139 1.00 0.00 H new ATOM 0 HG1 THR A 83 -1.445 -12.995 -7.047 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.682 -12.240 -8.268 1.00 0.00 H new ATOM 0 HG22 THR A 83 1.735 -10.537 -7.753 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.951 -11.836 -6.556 1.00 0.00 H new ATOM 1324 N VAL A 84 1.079 -8.734 -5.892 1.00 0.00 N ATOM 1325 CA VAL A 84 1.606 -7.404 -6.176 1.00 0.00 C ATOM 1326 C VAL A 84 3.015 -7.483 -6.752 1.00 0.00 C ATOM 1327 O VAL A 84 3.833 -8.289 -6.310 1.00 0.00 O ATOM 1328 CB VAL A 84 1.629 -6.528 -4.909 1.00 0.00 C ATOM 1329 CG1 VAL A 84 2.173 -5.143 -5.227 1.00 0.00 C ATOM 1330 CG2 VAL A 84 0.239 -6.437 -4.299 1.00 0.00 C ATOM 0 H VAL A 84 1.622 -9.267 -5.213 1.00 0.00 H new ATOM 0 HA VAL A 84 0.941 -6.950 -6.911 1.00 0.00 H new ATOM 0 HB VAL A 84 2.291 -6.993 -4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.182 -4.538 -4.320 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.188 -5.231 -5.614 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.539 -4.666 -5.975 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.274 -5.814 -3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.447 -5.996 -5.022 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.107 -7.436 -4.032 1.00 0.00 H new ATOM 1340 N ASN A 85 3.292 -6.640 -7.742 1.00 0.00 N ATOM 1341 CA ASN A 85 4.603 -6.614 -8.379 1.00 0.00 C ATOM 1342 C ASN A 85 5.422 -5.424 -7.890 1.00 0.00 C ATOM 1343 O ASN A 85 4.927 -4.297 -7.831 1.00 0.00 O ATOM 1344 CB ASN A 85 4.452 -6.553 -9.901 1.00 0.00 C ATOM 1345 CG ASN A 85 4.271 -7.926 -10.519 1.00 0.00 C ATOM 1346 OD1 ASN A 85 3.415 -8.740 -9.913 1.00 0.00 O flip ATOM 1347 ND2 ASN A 85 4.894 -8.250 -11.530 1.00 0.00 N flip ATOM 0 H ASN A 85 2.626 -5.966 -8.120 1.00 0.00 H new ATOM 0 HA ASN A 85 5.129 -7.530 -8.109 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.596 -5.928 -10.154 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.333 -6.077 -10.332 1.00 0.00 H new ATOM 0 HD21 ASN A 85 5.542 -7.592 -11.963 1.00 0.00 H new ATOM 0 HD22 ASN A 85 4.762 -9.177 -11.935 1.00 0.00 H new ATOM 1354 N LEU A 86 6.678 -5.680 -7.542 1.00 0.00 N ATOM 1355 CA LEU A 86 7.568 -4.630 -7.059 1.00 0.00 C ATOM 1356 C LEU A 86 8.669 -4.339 -8.073 1.00 0.00 C ATOM 1357 O LEU A 86 9.180 -5.249 -8.727 1.00 0.00 O ATOM 1358 CB LEU A 86 8.187 -5.035 -5.719 1.00 0.00 C ATOM 1359 CG LEU A 86 7.206 -5.480 -4.634 1.00 0.00 C ATOM 1360 CD1 LEU A 86 7.955 -6.015 -3.424 1.00 0.00 C ATOM 1361 CD2 LEU A 86 6.295 -4.328 -4.234 1.00 0.00 C ATOM 0 H LEU A 86 7.103 -6.606 -7.585 1.00 0.00 H new ATOM 0 HA LEU A 86 6.978 -3.724 -6.921 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.892 -5.846 -5.898 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.762 -4.191 -5.337 1.00 0.00 H new ATOM 0 HG LEU A 86 6.588 -6.283 -5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.240 -6.327 -2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.564 -6.869 -3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.598 -5.234 -3.020 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.603 -4.663 -3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.897 -3.504 -3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.731 -3.991 -5.104 1.00 0.00 H new ATOM 1373 N ARG A 87 9.031 -3.067 -8.197 1.00 0.00 N ATOM 1374 CA ARG A 87 10.073 -2.657 -9.132 1.00 0.00 C ATOM 1375 C ARG A 87 11.339 -3.484 -8.932 1.00 0.00 C ATOM 1376 O ARG A 87 12.029 -3.821 -9.893 1.00 0.00 O ATOM 1377 CB ARG A 87 10.390 -1.170 -8.955 1.00 0.00 C ATOM 1378 CG ARG A 87 9.503 -0.256 -9.784 1.00 0.00 C ATOM 1379 CD ARG A 87 10.131 1.117 -9.963 1.00 0.00 C ATOM 1380 NE ARG A 87 11.068 1.150 -11.083 1.00 0.00 N ATOM 1381 CZ ARG A 87 10.699 1.351 -12.343 1.00 0.00 C ATOM 1382 NH1 ARG A 87 9.421 1.538 -12.642 1.00 0.00 N ATOM 1383 NH2 ARG A 87 11.610 1.367 -13.308 1.00 0.00 N ATOM 0 H ARG A 87 8.619 -2.302 -7.662 1.00 0.00 H new ATOM 0 HA ARG A 87 9.705 -2.826 -10.144 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.285 -0.907 -7.902 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.431 -0.994 -9.225 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.326 -0.707 -10.761 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.532 -0.153 -9.300 1.00 0.00 H new ATOM 0 HD2 ARG A 87 9.346 1.856 -10.125 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.651 1.400 -9.048 1.00 0.00 H new ATOM 0 HE ARG A 87 12.059 1.011 -10.887 1.00 0.00 H new ATOM 0 HH11 ARG A 87 8.718 1.528 -11.903 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.141 1.692 -13.611 1.00 0.00 H new ATOM 0 HH21 ARG A 87 12.595 1.225 -13.082 1.00 0.00 H new ATOM 0 HH22 ARG A 87 11.326 1.521 -14.275 1.00 0.00 H new ATOM 1397 N GLU A 88 11.637 -3.808 -7.677 1.00 0.00 N ATOM 1398 CA GLU A 88 12.821 -4.595 -7.353 1.00 0.00 C ATOM 1399 C GLU A 88 12.855 -5.887 -8.164 1.00 0.00 C ATOM 1400 O GLU A 88 13.924 -6.405 -8.482 1.00 0.00 O ATOM 1401 CB GLU A 88 12.852 -4.918 -5.857 1.00 0.00 C ATOM 1402 CG GLU A 88 11.557 -5.522 -5.338 1.00 0.00 C ATOM 1403 CD GLU A 88 11.554 -5.687 -3.831 1.00 0.00 C ATOM 1404 OE1 GLU A 88 12.037 -6.732 -3.348 1.00 0.00 O ATOM 1405 OE2 GLU A 88 11.068 -4.771 -3.135 1.00 0.00 O ATOM 0 H GLU A 88 11.075 -3.538 -6.869 1.00 0.00 H new ATOM 0 HA GLU A 88 13.700 -4.003 -7.608 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.671 -5.610 -5.660 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.066 -4.005 -5.301 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.721 -4.887 -5.632 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.400 -6.494 -5.807 1.00 0.00 H new ATOM 1412 N GLY A 89 11.674 -6.402 -8.495 1.00 0.00 N ATOM 1413 CA GLY A 89 11.590 -7.629 -9.265 1.00 0.00 C ATOM 1414 C GLY A 89 10.687 -8.660 -8.617 1.00 0.00 C ATOM 1415 O GLY A 89 9.849 -9.268 -9.283 1.00 0.00 O ATOM 0 H GLY A 89 10.775 -5.991 -8.244 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.219 -7.402 -10.264 1.00 0.00 H new ATOM 0 HA3 GLY A 89 12.589 -8.049 -9.384 1.00 0.00 H new ATOM 1419 N SER A 90 10.857 -8.858 -7.314 1.00 0.00 N ATOM 1420 CA SER A 90 10.054 -9.826 -6.576 1.00 0.00 C ATOM 1421 C SER A 90 8.608 -9.356 -6.459 1.00 0.00 C ATOM 1422 O SER A 90 8.328 -8.158 -6.502 1.00 0.00 O ATOM 1423 CB SER A 90 10.643 -10.053 -5.182 1.00 0.00 C ATOM 1424 OG SER A 90 11.925 -10.652 -5.262 1.00 0.00 O ATOM 0 H SER A 90 11.544 -8.361 -6.747 1.00 0.00 H new ATOM 0 HA SER A 90 10.068 -10.767 -7.126 1.00 0.00 H new ATOM 0 HB2 SER A 90 10.715 -9.102 -4.655 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.976 -10.690 -4.601 1.00 0.00 H new ATOM 0 HG SER A 90 12.281 -10.785 -4.359 1.00 0.00 H new ATOM 1430 N ARG A 91 7.693 -10.308 -6.311 1.00 0.00 N ATOM 1431 CA ARG A 91 6.274 -9.992 -6.189 1.00 0.00 C ATOM 1432 C ARG A 91 5.729 -10.452 -4.840 1.00 0.00 C ATOM 1433 O ARG A 91 6.128 -11.495 -4.320 1.00 0.00 O ATOM 1434 CB ARG A 91 5.484 -10.650 -7.321 1.00 0.00 C ATOM 1435 CG ARG A 91 5.924 -10.208 -8.708 1.00 0.00 C ATOM 1436 CD ARG A 91 5.641 -11.279 -9.750 1.00 0.00 C ATOM 1437 NE ARG A 91 6.224 -10.948 -11.047 1.00 0.00 N ATOM 1438 CZ ARG A 91 6.450 -11.845 -12.001 1.00 0.00 C ATOM 1439 NH1 ARG A 91 6.144 -13.120 -11.804 1.00 0.00 N ATOM 1440 NH2 ARG A 91 6.984 -11.466 -13.155 1.00 0.00 N ATOM 0 H ARG A 91 7.908 -11.304 -6.273 1.00 0.00 H new ATOM 0 HA ARG A 91 6.161 -8.910 -6.258 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.588 -11.732 -7.244 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.426 -10.422 -7.195 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.405 -9.289 -8.980 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.990 -9.982 -8.698 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.040 -12.233 -9.406 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.564 -11.404 -9.858 1.00 0.00 H new ATOM 0 HE ARG A 91 6.471 -9.976 -11.231 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.734 -13.415 -10.918 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.319 -13.806 -12.539 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.221 -10.486 -13.310 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.157 -12.155 -13.887 1.00 0.00 H new ATOM 1454 N LEU A 92 4.816 -9.667 -4.278 1.00 0.00 N ATOM 1455 CA LEU A 92 4.216 -9.993 -2.989 1.00 0.00 C ATOM 1456 C LEU A 92 2.999 -10.895 -3.168 1.00 0.00 C ATOM 1457 O LEU A 92 2.017 -10.511 -3.804 1.00 0.00 O ATOM 1458 CB LEU A 92 3.814 -8.714 -2.254 1.00 0.00 C ATOM 1459 CG LEU A 92 4.876 -8.104 -1.338 1.00 0.00 C ATOM 1460 CD1 LEU A 92 4.520 -6.666 -0.993 1.00 0.00 C ATOM 1461 CD2 LEU A 92 5.031 -8.935 -0.073 1.00 0.00 C ATOM 0 H LEU A 92 4.475 -8.801 -4.695 1.00 0.00 H new ATOM 0 HA LEU A 92 4.957 -10.528 -2.395 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.530 -7.967 -2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.926 -8.925 -1.658 1.00 0.00 H new ATOM 0 HG LEU A 92 5.829 -8.104 -1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.287 -6.248 -0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.461 -6.076 -1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.557 -6.642 -0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.791 -8.486 0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.081 -8.967 0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.333 -9.948 -0.338 1.00 0.00 H new ATOM 1473 N HIS A 93 3.070 -12.095 -2.600 1.00 0.00 N ATOM 1474 CA HIS A 93 1.972 -13.051 -2.694 1.00 0.00 C ATOM 1475 C HIS A 93 1.129 -13.037 -1.422 1.00 0.00 C ATOM 1476 O HIS A 93 1.578 -13.475 -0.362 1.00 0.00 O ATOM 1477 CB HIS A 93 2.514 -14.459 -2.945 1.00 0.00 C ATOM 1478 CG HIS A 93 2.983 -14.678 -4.350 1.00 0.00 C ATOM 1479 ND1 HIS A 93 3.940 -13.892 -4.955 1.00 0.00 N ATOM 1480 CD2 HIS A 93 2.622 -15.604 -5.270 1.00 0.00 C ATOM 1481 CE1 HIS A 93 4.147 -14.323 -6.187 1.00 0.00 C ATOM 1482 NE2 HIS A 93 3.360 -15.361 -6.402 1.00 0.00 N ATOM 0 H HIS A 93 3.875 -12.428 -2.070 1.00 0.00 H new ATOM 0 HA HIS A 93 1.339 -12.759 -3.532 1.00 0.00 H new ATOM 0 HB2 HIS A 93 3.341 -14.648 -2.261 1.00 0.00 H new ATOM 0 HB3 HIS A 93 1.736 -15.186 -2.713 1.00 0.00 H new ATOM 0 HD1 HIS A 93 4.414 -13.101 -4.520 1.00 0.00 H new ATOM 0 HD2 HIS A 93 1.890 -16.387 -5.138 1.00 0.00 H new ATOM 0 HE1 HIS A 93 4.841 -13.899 -6.897 1.00 0.00 H new ATOM 1491 N LEU A 94 -0.094 -12.530 -1.535 1.00 0.00 N ATOM 1492 CA LEU A 94 -1.000 -12.458 -0.394 1.00 0.00 C ATOM 1493 C LEU A 94 -2.385 -12.978 -0.765 1.00 0.00 C ATOM 1494 O LEU A 94 -2.654 -13.283 -1.928 1.00 0.00 O ATOM 1495 CB LEU A 94 -1.102 -11.017 0.111 1.00 0.00 C ATOM 1496 CG LEU A 94 0.223 -10.311 0.396 1.00 0.00 C ATOM 1497 CD1 LEU A 94 0.006 -8.815 0.564 1.00 0.00 C ATOM 1498 CD2 LEU A 94 0.885 -10.897 1.635 1.00 0.00 C ATOM 0 H LEU A 94 -0.481 -12.163 -2.405 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.597 -13.087 0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.651 -10.432 -0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.696 -11.015 1.025 1.00 0.00 H new ATOM 0 HG LEU A 94 0.886 -10.469 -0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.961 -8.329 0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.423 -8.405 -0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.675 -8.637 1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.827 -10.382 1.822 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.226 -10.771 2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.077 -11.958 1.477 1.00 0.00 H new ATOM 1510 N CYS A 95 -3.261 -13.074 0.229 1.00 0.00 N ATOM 1511 CA CYS A 95 -4.620 -13.556 0.007 1.00 0.00 C ATOM 1512 C CYS A 95 -5.572 -13.003 1.062 1.00 0.00 C ATOM 1513 O CYS A 95 -5.335 -13.144 2.262 1.00 0.00 O ATOM 1514 CB CYS A 95 -4.651 -15.085 0.026 1.00 0.00 C ATOM 1515 SG CYS A 95 -6.301 -15.792 -0.185 1.00 0.00 S ATOM 0 H CYS A 95 -3.055 -12.825 1.196 1.00 0.00 H new ATOM 0 HA CYS A 95 -4.948 -13.206 -0.972 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.002 -15.461 -0.765 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.236 -15.434 0.971 1.00 0.00 H new ATOM 0 HG CYS A 95 -7.178 -15.028 0.396 1.00 0.00 H new ATOM 1521 N ALA A 96 -6.649 -12.371 0.607 1.00 0.00 N ATOM 1522 CA ALA A 96 -7.638 -11.797 1.512 1.00 0.00 C ATOM 1523 C ALA A 96 -8.731 -12.807 1.843 1.00 0.00 C ATOM 1524 O ALA A 96 -8.765 -13.903 1.285 1.00 0.00 O ATOM 1525 CB ALA A 96 -8.243 -10.541 0.903 1.00 0.00 C ATOM 0 H ALA A 96 -6.859 -12.243 -0.383 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.134 -11.531 2.441 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.980 -10.123 1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.456 -9.808 0.724 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.727 -10.791 -0.041 1.00 0.00 H new ATOM 1531 N GLU A 97 -9.622 -12.431 2.755 1.00 0.00 N ATOM 1532 CA GLU A 97 -10.715 -13.306 3.161 1.00 0.00 C ATOM 1533 C GLU A 97 -11.857 -13.255 2.150 1.00 0.00 C ATOM 1534 O GLU A 97 -12.542 -14.252 1.918 1.00 0.00 O ATOM 1535 CB GLU A 97 -11.229 -12.908 4.547 1.00 0.00 C ATOM 1536 CG GLU A 97 -11.686 -11.462 4.634 1.00 0.00 C ATOM 1537 CD GLU A 97 -12.349 -11.139 5.959 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -11.779 -11.498 7.011 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -13.437 -10.526 5.944 1.00 0.00 O ATOM 0 H GLU A 97 -9.608 -11.527 3.226 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.333 -14.326 3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -12.060 -13.560 4.818 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -10.440 -13.076 5.280 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.828 -10.805 4.491 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -12.384 -11.256 3.823 1.00 0.00 H new ATOM 1546 N THR A 98 -12.057 -12.086 1.550 1.00 0.00 N ATOM 1547 CA THR A 98 -13.115 -11.903 0.565 1.00 0.00 C ATOM 1548 C THR A 98 -12.586 -11.220 -0.691 1.00 0.00 C ATOM 1549 O THR A 98 -11.388 -10.963 -0.811 1.00 0.00 O ATOM 1550 CB THR A 98 -14.278 -11.070 1.138 1.00 0.00 C ATOM 1551 OG1 THR A 98 -13.811 -9.769 1.511 1.00 0.00 O ATOM 1552 CG2 THR A 98 -14.894 -11.760 2.346 1.00 0.00 C ATOM 0 H THR A 98 -11.499 -11.251 1.729 1.00 0.00 H new ATOM 0 HA THR A 98 -13.482 -12.897 0.307 1.00 0.00 H new ATOM 0 HB THR A 98 -15.042 -10.974 0.367 1.00 0.00 H new ATOM 0 HG1 THR A 98 -14.556 -9.245 1.873 1.00 0.00 H new ATOM 0 HG21 THR A 98 -15.713 -11.153 2.733 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.275 -12.738 2.051 1.00 0.00 H new ATOM 0 HG23 THR A 98 -14.136 -11.884 3.120 1.00 0.00 H new ATOM 1560 N ARG A 99 -13.486 -10.926 -1.623 1.00 0.00 N ATOM 1561 CA ARG A 99 -13.109 -10.273 -2.871 1.00 0.00 C ATOM 1562 C ARG A 99 -13.159 -8.754 -2.725 1.00 0.00 C ATOM 1563 O ARG A 99 -12.626 -8.023 -3.560 1.00 0.00 O ATOM 1564 CB ARG A 99 -14.034 -10.718 -4.005 1.00 0.00 C ATOM 1565 CG ARG A 99 -15.351 -9.960 -4.049 1.00 0.00 C ATOM 1566 CD ARG A 99 -16.465 -10.813 -4.637 1.00 0.00 C ATOM 1567 NE ARG A 99 -16.427 -10.833 -6.096 1.00 0.00 N ATOM 1568 CZ ARG A 99 -16.991 -9.902 -6.858 1.00 0.00 C ATOM 1569 NH1 ARG A 99 -17.632 -8.884 -6.302 1.00 0.00 N ATOM 1570 NH2 ARG A 99 -16.915 -9.989 -8.180 1.00 0.00 N ATOM 0 H ARG A 99 -14.482 -11.130 -1.538 1.00 0.00 H new ATOM 0 HA ARG A 99 -12.087 -10.565 -3.111 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.518 -10.588 -4.956 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -14.241 -11.783 -3.897 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -15.625 -9.645 -3.042 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -15.231 -9.055 -4.644 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -16.380 -11.832 -4.258 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -17.429 -10.429 -4.305 1.00 0.00 H new ATOM 0 HE ARG A 99 -15.941 -11.603 -6.555 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -17.693 -8.814 -5.286 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -18.064 -8.171 -6.890 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -16.423 -10.771 -8.612 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -17.348 -9.274 -8.764 1.00 0.00 H new ATOM 1584 N ASP A 100 -13.803 -8.288 -1.661 1.00 0.00 N ATOM 1585 CA ASP A 100 -13.922 -6.857 -1.406 1.00 0.00 C ATOM 1586 C ASP A 100 -12.645 -6.309 -0.775 1.00 0.00 C ATOM 1587 O ASP A 100 -12.120 -5.282 -1.205 1.00 0.00 O ATOM 1588 CB ASP A 100 -15.117 -6.578 -0.493 1.00 0.00 C ATOM 1589 CG ASP A 100 -15.647 -5.166 -0.648 1.00 0.00 C ATOM 1590 OD1 ASP A 100 -15.786 -4.708 -1.802 1.00 0.00 O ATOM 1591 OD2 ASP A 100 -15.923 -4.520 0.384 1.00 0.00 O ATOM 0 H ASP A 100 -14.251 -8.880 -0.961 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.079 -6.355 -2.361 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -15.914 -7.288 -0.715 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -14.824 -6.741 0.544 1.00 0.00 H new ATOM 1596 N ASP A 101 -12.152 -7.001 0.246 1.00 0.00 N ATOM 1597 CA ASP A 101 -10.937 -6.584 0.936 1.00 0.00 C ATOM 1598 C ASP A 101 -9.754 -6.538 -0.026 1.00 0.00 C ATOM 1599 O ASP A 101 -8.908 -5.648 0.057 1.00 0.00 O ATOM 1600 CB ASP A 101 -10.632 -7.534 2.095 1.00 0.00 C ATOM 1601 CG ASP A 101 -11.368 -7.155 3.364 1.00 0.00 C ATOM 1602 OD1 ASP A 101 -12.617 -7.164 3.351 1.00 0.00 O ATOM 1603 OD2 ASP A 101 -10.696 -6.850 4.371 1.00 0.00 O ATOM 0 H ASP A 101 -12.575 -7.853 0.614 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.099 -5.581 1.332 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -10.905 -8.550 1.810 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.559 -7.535 2.287 1.00 0.00 H new ATOM 1608 N ALA A 102 -9.702 -7.504 -0.937 1.00 0.00 N ATOM 1609 CA ALA A 102 -8.623 -7.573 -1.915 1.00 0.00 C ATOM 1610 C ALA A 102 -8.564 -6.304 -2.759 1.00 0.00 C ATOM 1611 O ALA A 102 -7.527 -5.644 -2.832 1.00 0.00 O ATOM 1612 CB ALA A 102 -8.797 -8.794 -2.807 1.00 0.00 C ATOM 0 H ALA A 102 -10.394 -8.249 -1.018 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.681 -7.662 -1.374 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -7.985 -8.833 -3.533 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.782 -9.696 -2.196 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.750 -8.728 -3.332 1.00 0.00 H new ATOM 1618 N ILE A 103 -9.682 -5.968 -3.393 1.00 0.00 N ATOM 1619 CA ILE A 103 -9.757 -4.777 -4.230 1.00 0.00 C ATOM 1620 C ILE A 103 -9.303 -3.538 -3.466 1.00 0.00 C ATOM 1621 O ILE A 103 -8.525 -2.733 -3.975 1.00 0.00 O ATOM 1622 CB ILE A 103 -11.186 -4.548 -4.756 1.00 0.00 C ATOM 1623 CG1 ILE A 103 -11.644 -5.745 -5.592 1.00 0.00 C ATOM 1624 CG2 ILE A 103 -11.249 -3.267 -5.576 1.00 0.00 C ATOM 1625 CD1 ILE A 103 -13.143 -5.811 -5.781 1.00 0.00 C ATOM 0 H ILE A 103 -10.549 -6.504 -3.343 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.090 -4.943 -5.076 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.859 -4.446 -3.904 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.164 -5.700 -6.570 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -11.305 -6.664 -5.113 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -12.265 -3.118 -5.941 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.960 -2.421 -4.952 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.567 -3.343 -6.423 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.396 -6.684 -6.383 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.629 -5.888 -4.809 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.486 -4.909 -6.288 1.00 0.00 H new ATOM 1637 N ALA A 104 -9.794 -3.394 -2.239 1.00 0.00 N ATOM 1638 CA ALA A 104 -9.436 -2.255 -1.403 1.00 0.00 C ATOM 1639 C ALA A 104 -7.926 -2.050 -1.372 1.00 0.00 C ATOM 1640 O ALA A 104 -7.435 -0.947 -1.610 1.00 0.00 O ATOM 1641 CB ALA A 104 -9.974 -2.447 0.008 1.00 0.00 C ATOM 0 H ALA A 104 -10.440 -4.052 -1.803 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.888 -1.362 -1.835 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.700 -1.589 0.622 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -11.060 -2.537 -0.026 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.548 -3.353 0.440 1.00 0.00 H new ATOM 1647 N TRP A 105 -7.194 -3.118 -1.076 1.00 0.00 N ATOM 1648 CA TRP A 105 -5.739 -3.054 -1.013 1.00 0.00 C ATOM 1649 C TRP A 105 -5.153 -2.648 -2.361 1.00 0.00 C ATOM 1650 O TRP A 105 -4.222 -1.846 -2.429 1.00 0.00 O ATOM 1651 CB TRP A 105 -5.166 -4.405 -0.581 1.00 0.00 C ATOM 1652 CG TRP A 105 -5.078 -4.564 0.907 1.00 0.00 C ATOM 1653 CD1 TRP A 105 -5.774 -5.449 1.680 1.00 0.00 C ATOM 1654 CD2 TRP A 105 -4.247 -3.814 1.801 1.00 0.00 C ATOM 1655 NE1 TRP A 105 -5.426 -5.295 3.000 1.00 0.00 N ATOM 1656 CE2 TRP A 105 -4.491 -4.299 3.101 1.00 0.00 C ATOM 1657 CE3 TRP A 105 -3.321 -2.782 1.629 1.00 0.00 C ATOM 1658 CZ2 TRP A 105 -3.841 -3.786 4.220 1.00 0.00 C ATOM 1659 CZ3 TRP A 105 -2.677 -2.274 2.741 1.00 0.00 C ATOM 1660 CH2 TRP A 105 -2.939 -2.776 4.023 1.00 0.00 C ATOM 0 H TRP A 105 -7.585 -4.039 -0.876 1.00 0.00 H new ATOM 0 HA TRP A 105 -5.466 -2.299 -0.276 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -5.788 -5.202 -0.988 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.172 -4.524 -1.012 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.492 -6.165 1.308 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -5.803 -5.835 3.779 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -3.112 -2.389 0.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -4.042 -4.172 5.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -1.959 -1.476 2.620 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -2.419 -2.358 4.872 1.00 0.00 H new ATOM 1671 N LYS A 106 -5.704 -3.207 -3.433 1.00 0.00 N ATOM 1672 CA LYS A 106 -5.238 -2.902 -4.781 1.00 0.00 C ATOM 1673 C LYS A 106 -5.297 -1.402 -5.051 1.00 0.00 C ATOM 1674 O LYS A 106 -4.374 -0.827 -5.628 1.00 0.00 O ATOM 1675 CB LYS A 106 -6.080 -3.651 -5.816 1.00 0.00 C ATOM 1676 CG LYS A 106 -5.885 -3.150 -7.236 1.00 0.00 C ATOM 1677 CD LYS A 106 -6.264 -4.209 -8.258 1.00 0.00 C ATOM 1678 CE LYS A 106 -5.809 -3.823 -9.657 1.00 0.00 C ATOM 1679 NZ LYS A 106 -6.626 -4.487 -10.710 1.00 0.00 N ATOM 0 H LYS A 106 -6.474 -3.874 -3.395 1.00 0.00 H new ATOM 0 HA LYS A 106 -4.201 -3.227 -4.862 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -5.831 -4.711 -5.776 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -7.133 -3.561 -5.549 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -6.490 -2.257 -7.394 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -4.844 -2.859 -7.381 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.816 -5.162 -7.979 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -7.345 -4.351 -8.252 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -5.875 -2.741 -9.775 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -4.761 -4.094 -9.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.284 -4.198 -11.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -6.543 -5.519 -10.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.622 -4.208 -10.604 1.00 0.00 H new ATOM 1693 N THR A 107 -6.390 -0.772 -4.629 1.00 0.00 N ATOM 1694 CA THR A 107 -6.569 0.661 -4.825 1.00 0.00 C ATOM 1695 C THR A 107 -5.641 1.460 -3.918 1.00 0.00 C ATOM 1696 O THR A 107 -5.033 2.441 -4.347 1.00 0.00 O ATOM 1697 CB THR A 107 -8.025 1.086 -4.555 1.00 0.00 C ATOM 1698 OG1 THR A 107 -8.914 0.367 -5.416 1.00 0.00 O ATOM 1699 CG2 THR A 107 -8.200 2.582 -4.772 1.00 0.00 C ATOM 0 H THR A 107 -7.164 -1.232 -4.150 1.00 0.00 H new ATOM 0 HA THR A 107 -6.324 0.872 -5.866 1.00 0.00 H new ATOM 0 HB THR A 107 -8.261 0.855 -3.516 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.837 0.642 -5.236 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.236 2.859 -4.576 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.543 3.127 -4.094 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.946 2.832 -5.802 1.00 0.00 H new ATOM 1707 N ALA A 108 -5.536 1.035 -2.664 1.00 0.00 N ATOM 1708 CA ALA A 108 -4.680 1.710 -1.697 1.00 0.00 C ATOM 1709 C ALA A 108 -3.216 1.642 -2.119 1.00 0.00 C ATOM 1710 O ALA A 108 -2.427 2.536 -1.809 1.00 0.00 O ATOM 1711 CB ALA A 108 -4.861 1.101 -0.315 1.00 0.00 C ATOM 0 H ALA A 108 -6.034 0.225 -2.293 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.973 2.759 -1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.215 1.615 0.397 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.900 1.207 -0.004 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -4.597 0.044 -0.346 1.00 0.00 H new ATOM 1717 N LEU A 109 -2.858 0.577 -2.828 1.00 0.00 N ATOM 1718 CA LEU A 109 -1.488 0.392 -3.292 1.00 0.00 C ATOM 1719 C LEU A 109 -1.259 1.116 -4.615 1.00 0.00 C ATOM 1720 O LEU A 109 -0.319 1.899 -4.751 1.00 0.00 O ATOM 1721 CB LEU A 109 -1.180 -1.098 -3.453 1.00 0.00 C ATOM 1722 CG LEU A 109 -1.144 -1.919 -2.163 1.00 0.00 C ATOM 1723 CD1 LEU A 109 -1.292 -3.401 -2.470 1.00 0.00 C ATOM 1724 CD2 LEU A 109 0.146 -1.657 -1.400 1.00 0.00 C ATOM 0 H LEU A 109 -3.498 -0.172 -3.094 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.817 0.817 -2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.927 -1.533 -4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.215 -1.198 -3.950 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.982 -1.613 -1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.264 -3.970 -1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.243 -3.575 -2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.475 -3.722 -3.116 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.154 -2.249 -0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.998 -1.935 -2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.211 -0.599 -1.148 1.00 0.00 H new ATOM 1736 N MET A 110 -2.125 0.849 -5.587 1.00 0.00 N ATOM 1737 CA MET A 110 -2.019 1.478 -6.899 1.00 0.00 C ATOM 1738 C MET A 110 -1.867 2.990 -6.766 1.00 0.00 C ATOM 1739 O MET A 110 -1.041 3.601 -7.443 1.00 0.00 O ATOM 1740 CB MET A 110 -3.249 1.150 -7.747 1.00 0.00 C ATOM 1741 CG MET A 110 -3.133 -0.163 -8.503 1.00 0.00 C ATOM 1742 SD MET A 110 -2.342 0.029 -10.112 1.00 0.00 S ATOM 1743 CE MET A 110 -0.829 -0.894 -9.858 1.00 0.00 C ATOM 0 H MET A 110 -2.908 0.202 -5.491 1.00 0.00 H new ATOM 0 HA MET A 110 -1.131 1.083 -7.393 1.00 0.00 H new ATOM 0 HB2 MET A 110 -4.126 1.111 -7.101 1.00 0.00 H new ATOM 0 HB3 MET A 110 -3.414 1.957 -8.461 1.00 0.00 H new ATOM 0 HG2 MET A 110 -2.562 -0.873 -7.904 1.00 0.00 H new ATOM 0 HG3 MET A 110 -4.127 -0.588 -8.640 1.00 0.00 H new ATOM 0 HE1 MET A 110 -0.183 -0.780 -10.728 1.00 0.00 H new ATOM 0 HE2 MET A 110 -0.316 -0.516 -8.973 1.00 0.00 H new ATOM 0 HE3 MET A 110 -1.065 -1.949 -9.718 1.00 0.00 H new ATOM 1753 N GLU A 111 -2.670 3.586 -5.890 1.00 0.00 N ATOM 1754 CA GLU A 111 -2.624 5.027 -5.670 1.00 0.00 C ATOM 1755 C GLU A 111 -1.268 5.450 -5.113 1.00 0.00 C ATOM 1756 O GLU A 111 -0.530 6.200 -5.751 1.00 0.00 O ATOM 1757 CB GLU A 111 -3.737 5.455 -4.712 1.00 0.00 C ATOM 1758 CG GLU A 111 -5.039 5.810 -5.410 1.00 0.00 C ATOM 1759 CD GLU A 111 -4.866 6.904 -6.446 1.00 0.00 C ATOM 1760 OE1 GLU A 111 -4.298 7.962 -6.102 1.00 0.00 O ATOM 1761 OE2 GLU A 111 -5.298 6.702 -7.600 1.00 0.00 O ATOM 0 H GLU A 111 -3.359 3.094 -5.322 1.00 0.00 H new ATOM 0 HA GLU A 111 -2.772 5.520 -6.631 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.923 4.649 -4.002 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.397 6.316 -4.136 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.443 4.920 -5.891 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.770 6.130 -4.667 1.00 0.00 H new ATOM 1768 N ALA A 112 -0.947 4.963 -3.919 1.00 0.00 N ATOM 1769 CA ALA A 112 0.320 5.288 -3.276 1.00 0.00 C ATOM 1770 C ALA A 112 1.484 5.133 -4.248 1.00 0.00 C ATOM 1771 O ALA A 112 2.424 5.927 -4.238 1.00 0.00 O ATOM 1772 CB ALA A 112 0.531 4.410 -2.052 1.00 0.00 C ATOM 0 H ALA A 112 -1.547 4.342 -3.377 1.00 0.00 H new ATOM 0 HA ALA A 112 0.282 6.330 -2.959 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.481 4.664 -1.582 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.280 4.574 -1.343 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.544 3.363 -2.353 1.00 0.00 H new ATOM 1778 N ASN A 113 1.416 4.105 -5.087 1.00 0.00 N ATOM 1779 CA ASN A 113 2.466 3.845 -6.066 1.00 0.00 C ATOM 1780 C ASN A 113 2.596 5.007 -7.046 1.00 0.00 C ATOM 1781 O ASN A 113 3.702 5.413 -7.400 1.00 0.00 O ATOM 1782 CB ASN A 113 2.174 2.551 -6.827 1.00 0.00 C ATOM 1783 CG ASN A 113 2.749 2.563 -8.231 1.00 0.00 C ATOM 1784 OD1 ASN A 113 3.963 2.643 -8.415 1.00 0.00 O ATOM 1785 ND2 ASN A 113 1.875 2.484 -9.228 1.00 0.00 N ATOM 0 H ASN A 113 0.645 3.438 -5.109 1.00 0.00 H new ATOM 0 HA ASN A 113 3.409 3.738 -5.530 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.588 1.707 -6.275 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.096 2.399 -6.880 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.202 2.488 -10.194 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.877 2.419 -9.027 1.00 0.00 H new ATOM 1792 N SER A 114 1.457 5.537 -7.480 1.00 0.00 N ATOM 1793 CA SER A 114 1.442 6.650 -8.422 1.00 0.00 C ATOM 1794 C SER A 114 0.818 7.890 -7.789 1.00 0.00 C ATOM 1795 O SER A 114 0.038 8.601 -8.424 1.00 0.00 O ATOM 1796 CB SER A 114 0.671 6.266 -9.686 1.00 0.00 C ATOM 1797 OG SER A 114 0.955 7.161 -10.748 1.00 0.00 O ATOM 0 H SER A 114 0.533 5.214 -7.194 1.00 0.00 H new ATOM 0 HA SER A 114 2.473 6.880 -8.690 1.00 0.00 H new ATOM 0 HB2 SER A 114 0.934 5.250 -9.982 1.00 0.00 H new ATOM 0 HB3 SER A 114 -0.399 6.271 -9.479 1.00 0.00 H new ATOM 0 HG SER A 114 0.745 8.077 -10.469 1.00 0.00 H new ATOM 1803 N THR A 115 1.167 8.144 -6.531 1.00 0.00 N ATOM 1804 CA THR A 115 0.641 9.296 -5.810 1.00 0.00 C ATOM 1805 C THR A 115 1.562 9.693 -4.662 1.00 0.00 C ATOM 1806 O THR A 115 1.613 9.039 -3.620 1.00 0.00 O ATOM 1807 CB THR A 115 -0.766 9.013 -5.250 1.00 0.00 C ATOM 1808 OG1 THR A 115 -1.690 8.811 -6.325 1.00 0.00 O ATOM 1809 CG2 THR A 115 -1.242 10.164 -4.376 1.00 0.00 C ATOM 0 H THR A 115 1.812 7.567 -5.991 1.00 0.00 H new ATOM 0 HA THR A 115 0.581 10.117 -6.525 1.00 0.00 H new ATOM 0 HB THR A 115 -0.715 8.111 -4.640 1.00 0.00 H new ATOM 0 HG1 THR A 115 -2.553 8.520 -5.964 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.238 9.942 -3.992 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.553 10.297 -3.542 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.277 11.079 -4.967 1.00 0.00 H new ATOM 1817 N PRO A 116 2.308 10.791 -4.854 1.00 0.00 N ATOM 1818 CA PRO A 116 3.240 11.302 -3.844 1.00 0.00 C ATOM 1819 C PRO A 116 2.521 11.882 -2.632 1.00 0.00 C ATOM 1820 O PRO A 116 1.293 11.844 -2.549 1.00 0.00 O ATOM 1821 CB PRO A 116 4.004 12.399 -4.589 1.00 0.00 C ATOM 1822 CG PRO A 116 3.076 12.842 -5.667 1.00 0.00 C ATOM 1823 CD PRO A 116 2.297 11.620 -6.071 1.00 0.00 C ATOM 0 HA PRO A 116 3.879 10.515 -3.444 1.00 0.00 H new ATOM 0 HB2 PRO A 116 4.261 13.224 -3.924 1.00 0.00 H new ATOM 0 HB3 PRO A 116 4.939 12.020 -5.002 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.411 13.629 -5.311 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.628 13.251 -6.514 1.00 0.00 H new ATOM 0 HD2 PRO A 116 1.282 11.873 -6.376 1.00 0.00 H new ATOM 0 HD3 PRO A 116 2.763 11.106 -6.912 1.00 0.00 H new