USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=14 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 113 ASN : amide:sc= -2.52! C(o=-2.5!,f=-4.9!) USER MOD Set 1.2: A 114 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 67 CYS SG : rot -140:sc= -0.258 USER MOD Set 2.2: A 83 THR OG1 : rot 77:sc= 1.32 USER MOD Set 3.1: A 44 THR OG1 : rot -81:sc= 0.0472 USER MOD Set 3.2: A 46 GLN : amide:sc= -0.125 K(o=-0.078,f=-1.9!) USER MOD Set 4.1: A 17 GLN : amide:sc= -3.96! C(o=-4!,f=-7.4!) USER MOD Set 4.2: A 93 HIS : no HD1:sc= -0.0691 X(o=-4,f=-4.4) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -1.37 K(o=-1.4,f=-9!) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.183 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 55 HIS : no HD1:sc= -0.911 K(o=-0.91,f=-2.4) USER MOD Single : A 57 ASN : amide:sc= 0.0455 X(o=0.046,f=-0.097) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0149 USER MOD Single : A 85 ASN :FLIP amide:sc= -1.76 F(o=-4!,f=-1.8) USER MOD Single : A 90 SER OG : rot 39:sc= 1.27 USER MOD Single : A 95 CYS SG : rot -23:sc= -0.018 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 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot -17:sc= 0.762 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -0.533 6.328 9.239 1.00 0.00 N ATOM 67 CA LEU A 8 -0.929 5.034 8.693 1.00 0.00 C ATOM 68 C LEU A 8 -2.150 5.175 7.790 1.00 0.00 C ATOM 69 O LEU A 8 -3.123 5.841 8.143 1.00 0.00 O ATOM 70 CB LEU A 8 -1.230 4.052 9.827 1.00 0.00 C ATOM 71 CG LEU A 8 -1.033 2.571 9.501 1.00 0.00 C ATOM 72 CD1 LEU A 8 -0.875 1.760 10.778 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.198 2.046 8.675 1.00 0.00 C ATOM 0 HA LEU A 8 -0.102 4.649 8.097 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.596 4.304 10.677 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.262 4.200 10.144 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.121 2.467 8.913 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.736 0.709 10.526 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.007 2.119 11.332 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.769 1.871 11.392 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.040 0.991 8.453 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.125 2.164 9.237 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.265 2.607 7.743 1.00 0.00 H new ATOM 85 N VAL A 9 -2.092 4.542 6.622 1.00 0.00 N ATOM 86 CA VAL A 9 -3.193 4.594 5.669 1.00 0.00 C ATOM 87 C VAL A 9 -4.240 3.530 5.980 1.00 0.00 C ATOM 88 O VAL A 9 -5.414 3.840 6.182 1.00 0.00 O ATOM 89 CB VAL A 9 -2.695 4.401 4.224 1.00 0.00 C ATOM 90 CG1 VAL A 9 -3.865 4.388 3.253 1.00 0.00 C ATOM 91 CG2 VAL A 9 -1.697 5.488 3.856 1.00 0.00 C ATOM 0 H VAL A 9 -1.293 3.987 6.314 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.644 5.582 5.761 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.189 3.438 4.157 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.494 4.251 2.237 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.539 3.570 3.506 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.402 5.334 3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.355 5.337 2.832 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.175 6.464 3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.844 5.443 4.533 1.00 0.00 H new ATOM 101 N ARG A 10 -3.806 2.274 6.018 1.00 0.00 N ATOM 102 CA ARG A 10 -4.706 1.163 6.304 1.00 0.00 C ATOM 103 C ARG A 10 -3.919 -0.100 6.641 1.00 0.00 C ATOM 104 O ARG A 10 -2.821 -0.315 6.130 1.00 0.00 O ATOM 105 CB ARG A 10 -5.623 0.901 5.109 1.00 0.00 C ATOM 106 CG ARG A 10 -6.809 0.008 5.435 1.00 0.00 C ATOM 107 CD ARG A 10 -7.531 -0.442 4.175 1.00 0.00 C ATOM 108 NE ARG A 10 -8.232 0.661 3.522 1.00 0.00 N ATOM 109 CZ ARG A 10 -9.358 1.192 3.984 1.00 0.00 C ATOM 110 NH1 ARG A 10 -9.908 0.724 5.096 1.00 0.00 N ATOM 111 NH2 ARG A 10 -9.936 2.194 3.334 1.00 0.00 N ATOM 0 H ARG A 10 -2.837 2.001 5.854 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.314 1.433 7.167 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.990 1.854 4.728 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.042 0.441 4.310 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.467 -0.865 5.991 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.503 0.545 6.081 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.812 -0.876 3.481 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.245 -1.227 4.427 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.835 1.044 2.664 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.466 -0.046 5.599 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.773 1.134 5.449 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.515 2.557 2.479 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.801 2.601 3.690 1.00 0.00 H new ATOM 125 N GLY A 11 -4.490 -0.933 7.507 1.00 0.00 N ATOM 126 CA GLY A 11 -3.828 -2.164 7.898 1.00 0.00 C ATOM 127 C GLY A 11 -4.803 -3.308 8.100 1.00 0.00 C ATOM 128 O GLY A 11 -5.869 -3.128 8.687 1.00 0.00 O ATOM 0 H GLY A 11 -5.398 -0.777 7.944 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.101 -2.441 7.134 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.272 -1.997 8.821 1.00 0.00 H new ATOM 132 N GLY A 12 -4.438 -4.488 7.608 1.00 0.00 N ATOM 133 CA GLY A 12 -5.300 -5.647 7.746 1.00 0.00 C ATOM 134 C GLY A 12 -4.554 -6.952 7.546 1.00 0.00 C ATOM 135 O GLY A 12 -3.586 -7.010 6.787 1.00 0.00 O ATOM 0 H GLY A 12 -3.561 -4.662 7.117 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.756 -5.641 8.736 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.111 -5.581 7.021 1.00 0.00 H new ATOM 139 N TRP A 13 -5.003 -7.999 8.228 1.00 0.00 N ATOM 140 CA TRP A 13 -4.369 -9.308 8.123 1.00 0.00 C ATOM 141 C TRP A 13 -4.599 -9.915 6.743 1.00 0.00 C ATOM 142 O TRP A 13 -5.673 -9.764 6.158 1.00 0.00 O ATOM 143 CB TRP A 13 -4.909 -10.247 9.202 1.00 0.00 C ATOM 144 CG TRP A 13 -4.525 -9.838 10.592 1.00 0.00 C ATOM 145 CD1 TRP A 13 -4.987 -8.757 11.286 1.00 0.00 C ATOM 146 CD2 TRP A 13 -3.597 -10.504 11.455 1.00 0.00 C ATOM 147 NE1 TRP A 13 -4.402 -8.710 12.528 1.00 0.00 N ATOM 148 CE2 TRP A 13 -3.546 -9.772 12.657 1.00 0.00 C ATOM 149 CE3 TRP A 13 -2.805 -11.649 11.331 1.00 0.00 C ATOM 150 CZ2 TRP A 13 -2.734 -10.147 13.724 1.00 0.00 C ATOM 151 CZ3 TRP A 13 -2.000 -12.021 12.390 1.00 0.00 C ATOM 152 CH2 TRP A 13 -1.970 -11.272 13.575 1.00 0.00 C ATOM 0 H TRP A 13 -5.803 -7.967 8.859 1.00 0.00 H new ATOM 0 HA TRP A 13 -3.297 -9.177 8.268 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -5.996 -10.285 9.129 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -4.541 -11.256 9.013 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -5.707 -8.043 10.913 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -4.577 -8.000 13.239 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.822 -12.233 10.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -2.708 -9.570 14.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.383 -12.903 12.304 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.331 -11.589 14.386 1.00 0.00 H new ATOM 163 N LEU A 14 -3.585 -10.601 6.226 1.00 0.00 N ATOM 164 CA LEU A 14 -3.678 -11.231 4.914 1.00 0.00 C ATOM 165 C LEU A 14 -2.782 -12.463 4.837 1.00 0.00 C ATOM 166 O LEU A 14 -1.658 -12.457 5.338 1.00 0.00 O ATOM 167 CB LEU A 14 -3.289 -10.235 3.820 1.00 0.00 C ATOM 168 CG LEU A 14 -4.199 -9.015 3.668 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.485 -7.907 2.910 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.492 -9.398 2.964 1.00 0.00 C ATOM 0 H LEU A 14 -2.689 -10.735 6.696 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.711 -11.545 4.761 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.276 -9.885 4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.262 -10.764 2.867 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.447 -8.645 4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.148 -7.048 2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.588 -7.613 3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.206 -8.265 1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.127 -8.518 2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.264 -9.794 1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.013 -10.157 3.548 1.00 0.00 H new ATOM 182 N TRP A 15 -3.287 -13.516 4.205 1.00 0.00 N ATOM 183 CA TRP A 15 -2.531 -14.755 4.061 1.00 0.00 C ATOM 184 C TRP A 15 -1.438 -14.607 3.009 1.00 0.00 C ATOM 185 O TRP A 15 -1.714 -14.266 1.858 1.00 0.00 O ATOM 186 CB TRP A 15 -3.466 -15.906 3.684 1.00 0.00 C ATOM 187 CG TRP A 15 -4.422 -16.277 4.777 1.00 0.00 C ATOM 188 CD1 TRP A 15 -5.715 -15.860 4.912 1.00 0.00 C ATOM 189 CD2 TRP A 15 -4.159 -17.139 5.890 1.00 0.00 C ATOM 190 NE1 TRP A 15 -6.272 -16.410 6.041 1.00 0.00 N ATOM 191 CE2 TRP A 15 -5.338 -17.200 6.658 1.00 0.00 C ATOM 192 CE3 TRP A 15 -3.043 -17.867 6.311 1.00 0.00 C ATOM 193 CZ2 TRP A 15 -5.430 -17.958 7.822 1.00 0.00 C ATOM 194 CZ3 TRP A 15 -3.135 -18.619 7.466 1.00 0.00 C ATOM 195 CH2 TRP A 15 -4.322 -18.661 8.211 1.00 0.00 C ATOM 0 H TRP A 15 -4.216 -13.537 3.784 1.00 0.00 H new ATOM 0 HA TRP A 15 -2.060 -14.977 5.018 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -4.032 -15.628 2.795 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -2.868 -16.779 3.422 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -6.225 -15.195 4.231 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.226 -16.255 6.367 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -2.125 -17.842 5.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.343 -17.990 8.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -2.278 -19.184 7.801 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.363 -19.260 9.109 1.00 0.00 H new ATOM 206 N ARG A 16 -0.198 -14.864 3.410 1.00 0.00 N ATOM 207 CA ARG A 16 0.937 -14.758 2.501 1.00 0.00 C ATOM 208 C ARG A 16 1.644 -16.102 2.354 1.00 0.00 C ATOM 209 O ARG A 16 1.820 -16.831 3.330 1.00 0.00 O ATOM 210 CB ARG A 16 1.924 -13.703 3.004 1.00 0.00 C ATOM 211 CG ARG A 16 3.237 -13.683 2.239 1.00 0.00 C ATOM 212 CD ARG A 16 4.007 -12.395 2.488 1.00 0.00 C ATOM 213 NE ARG A 16 4.621 -12.372 3.813 1.00 0.00 N ATOM 214 CZ ARG A 16 5.762 -12.988 4.105 1.00 0.00 C ATOM 215 NH1 ARG A 16 6.408 -13.672 3.171 1.00 0.00 N ATOM 216 NH2 ARG A 16 6.257 -12.921 5.334 1.00 0.00 N ATOM 0 H ARG A 16 0.047 -15.147 4.359 1.00 0.00 H new ATOM 0 HA ARG A 16 0.560 -14.457 1.524 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.458 -12.720 2.935 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.131 -13.885 4.059 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.846 -14.536 2.537 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.040 -13.790 1.172 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.780 -12.282 1.728 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.333 -11.544 2.386 1.00 0.00 H new ATOM 0 HE ARG A 16 4.148 -11.855 4.555 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.030 -13.727 2.225 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.283 -14.144 3.398 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.762 -12.397 6.055 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.133 -13.394 5.558 1.00 0.00 H new ATOM 230 N GLN A 17 2.046 -16.422 1.129 1.00 0.00 N ATOM 231 CA GLN A 17 2.733 -17.679 0.855 1.00 0.00 C ATOM 232 C GLN A 17 4.228 -17.554 1.129 1.00 0.00 C ATOM 233 O GLN A 17 4.824 -16.502 0.903 1.00 0.00 O ATOM 234 CB GLN A 17 2.502 -18.105 -0.596 1.00 0.00 C ATOM 235 CG GLN A 17 1.270 -18.975 -0.787 1.00 0.00 C ATOM 236 CD GLN A 17 0.654 -18.820 -2.163 1.00 0.00 C ATOM 237 OE1 GLN A 17 0.837 -17.799 -2.827 1.00 0.00 O ATOM 238 NE2 GLN A 17 -0.082 -19.836 -2.600 1.00 0.00 N ATOM 0 H GLN A 17 1.908 -15.829 0.311 1.00 0.00 H new ATOM 0 HA GLN A 17 2.323 -18.440 1.519 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.407 -17.214 -1.217 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.378 -18.648 -0.950 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.539 -20.019 -0.629 1.00 0.00 H new ATOM 0 HG3 GLN A 17 0.528 -18.719 -0.030 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.207 -20.663 -2.016 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.522 -19.789 -3.519 1.00 0.00 H new ATOM 331 N ARG A 23 3.395 -22.183 1.569 1.00 0.00 N ATOM 332 CA ARG A 23 2.539 -22.284 2.745 1.00 0.00 C ATOM 333 C ARG A 23 1.978 -20.917 3.127 1.00 0.00 C ATOM 334 O ARG A 23 2.723 -19.948 3.272 1.00 0.00 O ATOM 335 CB ARG A 23 3.320 -22.873 3.921 1.00 0.00 C ATOM 336 CG ARG A 23 2.441 -23.570 4.947 1.00 0.00 C ATOM 337 CD ARG A 23 1.887 -22.586 5.966 1.00 0.00 C ATOM 338 NE ARG A 23 1.255 -23.264 7.094 1.00 0.00 N ATOM 339 CZ ARG A 23 0.888 -22.646 8.211 1.00 0.00 C ATOM 340 NH1 ARG A 23 1.089 -21.343 8.348 1.00 0.00 N ATOM 341 NH2 ARG A 23 0.318 -23.332 9.193 1.00 0.00 N ATOM 0 HA ARG A 23 1.707 -22.945 2.503 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.053 -23.584 3.540 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.876 -22.075 4.413 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.617 -24.073 4.440 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.018 -24.340 5.459 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.693 -21.950 6.331 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.160 -21.933 5.482 1.00 0.00 H new ATOM 0 HE ARG A 23 1.086 -24.267 7.020 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.526 -20.812 7.595 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.806 -20.871 9.207 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.161 -24.335 9.091 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.036 -22.857 10.050 1.00 0.00 H new ATOM 355 N TRP A 24 0.662 -20.848 3.286 1.00 0.00 N ATOM 356 CA TRP A 24 0.001 -19.600 3.651 1.00 0.00 C ATOM 357 C TRP A 24 0.226 -19.274 5.123 1.00 0.00 C ATOM 358 O TRP A 24 0.049 -20.127 5.993 1.00 0.00 O ATOM 359 CB TRP A 24 -1.498 -19.689 3.359 1.00 0.00 C ATOM 360 CG TRP A 24 -1.814 -19.796 1.898 1.00 0.00 C ATOM 361 CD1 TRP A 24 -2.091 -20.937 1.201 1.00 0.00 C ATOM 362 CD2 TRP A 24 -1.882 -18.720 0.955 1.00 0.00 C ATOM 363 NE1 TRP A 24 -2.328 -20.635 -0.119 1.00 0.00 N ATOM 364 CE2 TRP A 24 -2.207 -19.283 -0.295 1.00 0.00 C ATOM 365 CE3 TRP A 24 -1.703 -17.337 1.045 1.00 0.00 C ATOM 366 CZ2 TRP A 24 -2.354 -18.509 -1.443 1.00 0.00 C ATOM 367 CZ3 TRP A 24 -1.849 -16.571 -0.095 1.00 0.00 C ATOM 368 CH2 TRP A 24 -2.173 -17.158 -1.326 1.00 0.00 C ATOM 0 H TRP A 24 0.031 -21.641 3.168 1.00 0.00 H new ATOM 0 HA TRP A 24 0.434 -18.800 3.051 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -1.911 -20.555 3.877 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -1.993 -18.808 3.767 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -2.120 -21.930 1.624 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -2.557 -21.309 -0.849 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -1.455 -16.875 1.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.602 -18.959 -2.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.711 -15.501 -0.037 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -2.282 -16.532 -2.199 1.00 0.00 H new ATOM 379 N LYS A 25 0.618 -18.034 5.397 1.00 0.00 N ATOM 380 CA LYS A 25 0.867 -17.594 6.765 1.00 0.00 C ATOM 381 C LYS A 25 0.050 -16.349 7.093 1.00 0.00 C ATOM 382 O LYS A 25 -0.248 -15.541 6.213 1.00 0.00 O ATOM 383 CB LYS A 25 2.356 -17.308 6.967 1.00 0.00 C ATOM 384 CG LYS A 25 2.848 -16.083 6.216 1.00 0.00 C ATOM 385 CD LYS A 25 4.206 -15.626 6.723 1.00 0.00 C ATOM 386 CE LYS A 25 5.318 -16.548 6.246 1.00 0.00 C ATOM 387 NZ LYS A 25 6.611 -16.254 6.924 1.00 0.00 N ATOM 0 H LYS A 25 0.770 -17.316 4.689 1.00 0.00 H new ATOM 0 HA LYS A 25 0.562 -18.395 7.439 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.550 -17.174 8.031 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.931 -18.176 6.645 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.913 -16.309 5.152 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.126 -15.274 6.326 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.401 -14.610 6.379 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.198 -15.597 7.813 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.037 -17.584 6.434 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.441 -16.442 5.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.343 -16.903 6.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.893 -15.273 6.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.501 -16.380 7.950 1.00 0.00 H new ATOM 401 N ARG A 26 -0.307 -16.199 8.364 1.00 0.00 N ATOM 402 CA ARG A 26 -1.089 -15.051 8.807 1.00 0.00 C ATOM 403 C ARG A 26 -0.178 -13.921 9.278 1.00 0.00 C ATOM 404 O ARG A 26 0.600 -14.088 10.216 1.00 0.00 O ATOM 405 CB ARG A 26 -2.038 -15.458 9.936 1.00 0.00 C ATOM 406 CG ARG A 26 -3.398 -15.930 9.449 1.00 0.00 C ATOM 407 CD ARG A 26 -4.067 -16.845 10.463 1.00 0.00 C ATOM 408 NE ARG A 26 -3.280 -18.049 10.717 1.00 0.00 N ATOM 409 CZ ARG A 26 -3.682 -19.036 11.509 1.00 0.00 C ATOM 410 NH1 ARG A 26 -4.856 -18.963 12.121 1.00 0.00 N ATOM 411 NH2 ARG A 26 -2.909 -20.099 11.691 1.00 0.00 N ATOM 0 H ARG A 26 -0.067 -16.858 9.105 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.674 -14.694 7.960 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.575 -16.253 10.520 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.176 -14.610 10.606 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.037 -15.068 9.259 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.284 -16.457 8.502 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.214 -16.304 11.398 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.055 -17.128 10.100 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.372 -18.136 10.261 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.453 -18.147 11.984 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.162 -19.723 12.729 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.005 -20.158 11.222 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.219 -20.857 12.300 1.00 0.00 H new ATOM 425 N ASN A 27 -0.280 -12.772 8.618 1.00 0.00 N ATOM 426 CA ASN A 27 0.535 -11.614 8.968 1.00 0.00 C ATOM 427 C ASN A 27 -0.285 -10.330 8.899 1.00 0.00 C ATOM 428 O ASN A 27 -1.413 -10.328 8.407 1.00 0.00 O ATOM 429 CB ASN A 27 1.742 -11.513 8.032 1.00 0.00 C ATOM 430 CG ASN A 27 2.922 -10.819 8.683 1.00 0.00 C ATOM 431 OD1 ASN A 27 2.915 -9.603 8.872 1.00 0.00 O ATOM 432 ND2 ASN A 27 3.945 -11.592 9.030 1.00 0.00 N ATOM 0 H ASN A 27 -0.919 -12.618 7.838 1.00 0.00 H new ATOM 0 HA ASN A 27 0.886 -11.744 9.992 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.040 -12.514 7.719 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.456 -10.969 7.132 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.767 -11.181 9.472 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.908 -12.596 8.854 1.00 0.00 H new ATOM 439 N TRP A 28 0.290 -9.240 9.395 1.00 0.00 N ATOM 440 CA TRP A 28 -0.387 -7.949 9.389 1.00 0.00 C ATOM 441 C TRP A 28 0.326 -6.964 8.470 1.00 0.00 C ATOM 442 O TRP A 28 1.485 -6.616 8.697 1.00 0.00 O ATOM 443 CB TRP A 28 -0.459 -7.381 10.808 1.00 0.00 C ATOM 444 CG TRP A 28 -0.746 -5.911 10.846 1.00 0.00 C ATOM 445 CD1 TRP A 28 0.170 -4.898 10.867 1.00 0.00 C ATOM 446 CD2 TRP A 28 -2.035 -5.289 10.869 1.00 0.00 C ATOM 447 NE1 TRP A 28 -0.472 -3.684 10.902 1.00 0.00 N ATOM 448 CE2 TRP A 28 -1.825 -3.896 10.902 1.00 0.00 C ATOM 449 CE3 TRP A 28 -3.346 -5.772 10.862 1.00 0.00 C ATOM 450 CZ2 TRP A 28 -2.878 -2.986 10.931 1.00 0.00 C ATOM 451 CZ3 TRP A 28 -4.390 -4.868 10.890 1.00 0.00 C ATOM 452 CH2 TRP A 28 -4.152 -3.487 10.923 1.00 0.00 C ATOM 0 H TRP A 28 1.223 -9.225 9.806 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.399 -8.100 9.013 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.233 -7.909 11.364 1.00 0.00 H new ATOM 0 HB3 TRP A 28 0.486 -7.573 11.317 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.242 -5.032 10.857 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.015 -2.772 10.924 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.540 -6.834 10.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.696 -1.922 10.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -5.407 -5.231 10.886 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -4.989 -2.805 10.942 1.00 0.00 H new ATOM 463 N PHE A 29 -0.373 -6.517 7.432 1.00 0.00 N ATOM 464 CA PHE A 29 0.195 -5.572 6.478 1.00 0.00 C ATOM 465 C PHE A 29 -0.414 -4.184 6.658 1.00 0.00 C ATOM 466 O PHE A 29 -1.633 -4.034 6.721 1.00 0.00 O ATOM 467 CB PHE A 29 -0.035 -6.059 5.046 1.00 0.00 C ATOM 468 CG PHE A 29 0.922 -7.135 4.618 1.00 0.00 C ATOM 469 CD1 PHE A 29 0.646 -8.468 4.872 1.00 0.00 C ATOM 470 CD2 PHE A 29 2.099 -6.812 3.961 1.00 0.00 C ATOM 471 CE1 PHE A 29 1.524 -9.460 4.479 1.00 0.00 C ATOM 472 CE2 PHE A 29 2.981 -7.800 3.566 1.00 0.00 C ATOM 473 CZ PHE A 29 2.694 -9.125 3.826 1.00 0.00 C ATOM 0 H PHE A 29 -1.334 -6.794 7.230 1.00 0.00 H new ATOM 0 HA PHE A 29 1.267 -5.507 6.665 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.054 -6.434 4.958 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.053 -5.213 4.364 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.267 -8.736 5.384 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.329 -5.777 3.756 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.296 -10.496 4.682 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.894 -7.536 3.054 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.383 -9.898 3.519 1.00 0.00 H new ATOM 483 N ALA A 30 0.445 -3.174 6.741 1.00 0.00 N ATOM 484 CA ALA A 30 -0.007 -1.799 6.914 1.00 0.00 C ATOM 485 C ALA A 30 0.801 -0.842 6.042 1.00 0.00 C ATOM 486 O ALA A 30 2.025 -0.947 5.957 1.00 0.00 O ATOM 487 CB ALA A 30 0.088 -1.391 8.376 1.00 0.00 C ATOM 0 H ALA A 30 1.458 -3.282 6.691 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.049 -1.744 6.600 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.253 -0.362 8.489 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.538 -2.049 8.979 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.123 -1.469 8.709 1.00 0.00 H new ATOM 493 N LEU A 31 0.108 0.089 5.396 1.00 0.00 N ATOM 494 CA LEU A 31 0.761 1.065 4.530 1.00 0.00 C ATOM 495 C LEU A 31 1.043 2.360 5.285 1.00 0.00 C ATOM 496 O LEU A 31 0.279 2.756 6.165 1.00 0.00 O ATOM 497 CB LEU A 31 -0.110 1.354 3.307 1.00 0.00 C ATOM 498 CG LEU A 31 0.438 2.385 2.320 1.00 0.00 C ATOM 499 CD1 LEU A 31 1.608 1.807 1.539 1.00 0.00 C ATOM 500 CD2 LEU A 31 -0.658 2.854 1.375 1.00 0.00 C ATOM 0 H LEU A 31 -0.905 0.189 5.455 1.00 0.00 H new ATOM 0 HA LEU A 31 1.711 0.644 4.201 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.271 0.418 2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.086 1.695 3.653 1.00 0.00 H new ATOM 0 HG LEU A 31 0.795 3.246 2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.985 2.555 0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.402 1.523 2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.277 0.929 0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.250 3.587 0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.046 2.002 0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.464 3.309 1.950 1.00 0.00 H new ATOM 512 N TRP A 32 2.143 3.015 4.933 1.00 0.00 N ATOM 513 CA TRP A 32 2.525 4.268 5.576 1.00 0.00 C ATOM 514 C TRP A 32 2.417 5.435 4.601 1.00 0.00 C ATOM 515 O TRP A 32 2.337 5.239 3.388 1.00 0.00 O ATOM 516 CB TRP A 32 3.952 4.172 6.119 1.00 0.00 C ATOM 517 CG TRP A 32 4.140 3.056 7.102 1.00 0.00 C ATOM 518 CD1 TRP A 32 4.898 1.932 6.931 1.00 0.00 C ATOM 519 CD2 TRP A 32 3.557 2.955 8.406 1.00 0.00 C ATOM 520 NE1 TRP A 32 4.822 1.140 8.051 1.00 0.00 N ATOM 521 CE2 TRP A 32 4.006 1.745 8.970 1.00 0.00 C ATOM 522 CE3 TRP A 32 2.702 3.770 9.152 1.00 0.00 C ATOM 523 CZ2 TRP A 32 3.627 1.333 10.245 1.00 0.00 C ATOM 524 CZ3 TRP A 32 2.326 3.359 10.417 1.00 0.00 C ATOM 525 CH2 TRP A 32 2.789 2.150 10.953 1.00 0.00 C ATOM 0 H TRP A 32 2.786 2.700 4.207 1.00 0.00 H new ATOM 0 HA TRP A 32 1.839 4.446 6.404 1.00 0.00 H new ATOM 0 HB2 TRP A 32 4.641 4.033 5.286 1.00 0.00 H new ATOM 0 HB3 TRP A 32 4.216 5.116 6.597 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.472 1.700 6.046 1.00 0.00 H new ATOM 0 HE1 TRP A 32 5.296 0.246 8.178 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.341 4.704 8.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 3.982 0.401 10.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 1.664 3.980 11.002 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.478 1.857 11.945 1.00 0.00 H new ATOM 536 N LEU A 33 2.414 6.650 5.138 1.00 0.00 N ATOM 537 CA LEU A 33 2.316 7.850 4.315 1.00 0.00 C ATOM 538 C LEU A 33 3.611 8.092 3.547 1.00 0.00 C ATOM 539 O LEU A 33 3.623 8.791 2.534 1.00 0.00 O ATOM 540 CB LEU A 33 1.992 9.065 5.186 1.00 0.00 C ATOM 541 CG LEU A 33 0.642 9.036 5.904 1.00 0.00 C ATOM 542 CD1 LEU A 33 0.080 10.443 6.040 1.00 0.00 C ATOM 543 CD2 LEU A 33 -0.337 8.138 5.162 1.00 0.00 C ATOM 0 H LEU A 33 2.478 6.830 6.140 1.00 0.00 H new ATOM 0 HA LEU A 33 1.511 7.701 3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.777 9.170 5.935 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.029 9.956 4.559 1.00 0.00 H new ATOM 0 HG LEU A 33 0.792 8.628 6.904 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.881 10.403 6.553 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.773 11.058 6.615 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.055 10.878 5.050 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.292 8.129 5.687 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.482 8.516 4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.061 7.124 5.117 1.00 0.00 H new ATOM 555 N ASP A 34 4.699 7.506 4.034 1.00 0.00 N ATOM 556 CA ASP A 34 6.000 7.655 3.392 1.00 0.00 C ATOM 557 C ASP A 34 6.126 6.716 2.195 1.00 0.00 C ATOM 558 O ASP A 34 7.212 6.536 1.646 1.00 0.00 O ATOM 559 CB ASP A 34 7.122 7.377 4.393 1.00 0.00 C ATOM 560 CG ASP A 34 6.870 8.027 5.740 1.00 0.00 C ATOM 561 OD1 ASP A 34 6.122 9.026 5.786 1.00 0.00 O ATOM 562 OD2 ASP A 34 7.419 7.535 6.747 1.00 0.00 O ATOM 0 H ASP A 34 4.706 6.923 4.871 1.00 0.00 H new ATOM 0 HA ASP A 34 6.087 8.682 3.037 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.228 6.300 4.526 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.066 7.742 3.987 1.00 0.00 H new ATOM 567 N GLY A 35 5.006 6.119 1.798 1.00 0.00 N ATOM 568 CA GLY A 35 5.013 5.206 0.670 1.00 0.00 C ATOM 569 C GLY A 35 5.847 3.967 0.932 1.00 0.00 C ATOM 570 O GLY A 35 6.764 3.654 0.173 1.00 0.00 O ATOM 0 H GLY A 35 4.095 6.251 2.237 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.990 4.909 0.440 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.400 5.722 -0.209 1.00 0.00 H new ATOM 574 N THR A 36 5.530 3.260 2.013 1.00 0.00 N ATOM 575 CA THR A 36 6.258 2.051 2.375 1.00 0.00 C ATOM 576 C THR A 36 5.315 0.982 2.915 1.00 0.00 C ATOM 577 O THR A 36 4.422 1.272 3.711 1.00 0.00 O ATOM 578 CB THR A 36 7.342 2.343 3.430 1.00 0.00 C ATOM 579 OG1 THR A 36 6.772 3.054 4.534 1.00 0.00 O ATOM 580 CG2 THR A 36 8.478 3.157 2.828 1.00 0.00 C ATOM 0 H THR A 36 4.774 3.505 2.652 1.00 0.00 H new ATOM 0 HA THR A 36 6.735 1.685 1.466 1.00 0.00 H new ATOM 0 HB THR A 36 7.743 1.392 3.779 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.467 3.234 5.201 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.231 3.351 3.592 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.929 2.600 2.007 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.089 4.104 2.454 1.00 0.00 H new ATOM 588 N LEU A 37 5.519 -0.256 2.477 1.00 0.00 N ATOM 589 CA LEU A 37 4.687 -1.370 2.917 1.00 0.00 C ATOM 590 C LEU A 37 5.452 -2.275 3.878 1.00 0.00 C ATOM 591 O LEU A 37 6.349 -3.012 3.472 1.00 0.00 O ATOM 592 CB LEU A 37 4.204 -2.179 1.712 1.00 0.00 C ATOM 593 CG LEU A 37 2.894 -2.945 1.899 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.712 -1.987 1.902 1.00 0.00 C ATOM 595 CD2 LEU A 37 2.729 -3.994 0.810 1.00 0.00 C ATOM 0 H LEU A 37 6.253 -0.513 1.818 1.00 0.00 H new ATOM 0 HA LEU A 37 3.824 -0.961 3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.087 -1.500 0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.983 -2.892 1.443 1.00 0.00 H new ATOM 0 HG LEU A 37 2.927 -3.453 2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.788 -2.550 2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.824 -1.273 2.718 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.676 -1.451 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.791 -4.529 0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.718 -3.507 -0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.560 -4.698 0.854 1.00 0.00 H new ATOM 607 N GLY A 38 5.088 -2.214 5.156 1.00 0.00 N ATOM 608 CA GLY A 38 5.749 -3.035 6.154 1.00 0.00 C ATOM 609 C GLY A 38 4.796 -3.993 6.841 1.00 0.00 C ATOM 610 O GLY A 38 3.649 -3.644 7.121 1.00 0.00 O ATOM 0 H GLY A 38 4.348 -1.612 5.517 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.551 -3.602 5.681 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.213 -2.391 6.901 1.00 0.00 H new ATOM 614 N TYR A 39 5.269 -5.204 7.110 1.00 0.00 N ATOM 615 CA TYR A 39 4.449 -6.217 7.764 1.00 0.00 C ATOM 616 C TYR A 39 5.117 -6.717 9.041 1.00 0.00 C ATOM 617 O TYR A 39 6.335 -6.890 9.092 1.00 0.00 O ATOM 618 CB TYR A 39 4.197 -7.389 6.815 1.00 0.00 C ATOM 619 CG TYR A 39 5.457 -7.946 6.191 1.00 0.00 C ATOM 620 CD1 TYR A 39 6.012 -7.361 5.060 1.00 0.00 C ATOM 621 CD2 TYR A 39 6.091 -9.057 6.732 1.00 0.00 C ATOM 622 CE1 TYR A 39 7.163 -7.866 4.486 1.00 0.00 C ATOM 623 CE2 TYR A 39 7.243 -9.568 6.166 1.00 0.00 C ATOM 624 CZ TYR A 39 7.774 -8.970 5.043 1.00 0.00 C ATOM 625 OH TYR A 39 8.921 -9.477 4.475 1.00 0.00 O ATOM 0 H TYR A 39 6.216 -5.509 6.885 1.00 0.00 H new ATOM 0 HA TYR A 39 3.495 -5.761 8.029 1.00 0.00 H new ATOM 0 HB2 TYR A 39 3.690 -8.185 7.361 1.00 0.00 H new ATOM 0 HB3 TYR A 39 3.522 -7.065 6.023 1.00 0.00 H new ATOM 0 HD1 TYR A 39 5.536 -6.496 4.622 1.00 0.00 H new ATOM 0 HD2 TYR A 39 5.676 -9.530 7.610 1.00 0.00 H new ATOM 0 HE1 TYR A 39 7.582 -7.399 3.607 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.725 -10.431 6.601 1.00 0.00 H new ATOM 0 HH TYR A 39 9.225 -10.254 4.989 1.00 0.00 H new ATOM 635 N TYR A 40 4.311 -6.949 10.071 1.00 0.00 N ATOM 636 CA TYR A 40 4.822 -7.428 11.350 1.00 0.00 C ATOM 637 C TYR A 40 4.131 -8.724 11.762 1.00 0.00 C ATOM 638 O TYR A 40 3.043 -9.041 11.281 1.00 0.00 O ATOM 639 CB TYR A 40 4.624 -6.365 12.432 1.00 0.00 C ATOM 640 CG TYR A 40 5.167 -5.006 12.052 1.00 0.00 C ATOM 641 CD1 TYR A 40 4.647 -4.306 10.970 1.00 0.00 C ATOM 642 CD2 TYR A 40 6.199 -4.421 12.775 1.00 0.00 C ATOM 643 CE1 TYR A 40 5.140 -3.064 10.619 1.00 0.00 C ATOM 644 CE2 TYR A 40 6.697 -3.179 12.432 1.00 0.00 C ATOM 645 CZ TYR A 40 6.164 -2.505 11.353 1.00 0.00 C ATOM 646 OH TYR A 40 6.659 -1.268 11.008 1.00 0.00 O ATOM 0 H TYR A 40 3.300 -6.813 10.045 1.00 0.00 H new ATOM 0 HA TYR A 40 5.888 -7.627 11.235 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.560 -6.274 12.650 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.110 -6.697 13.349 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.844 -4.740 10.394 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.619 -4.946 13.620 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.725 -2.534 9.774 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.499 -2.738 13.005 1.00 0.00 H new ATOM 0 HH TYR A 40 7.377 -1.019 11.627 1.00 0.00 H new ATOM 656 N HIS A 41 4.772 -9.470 12.656 1.00 0.00 N ATOM 657 CA HIS A 41 4.219 -10.732 13.135 1.00 0.00 C ATOM 658 C HIS A 41 2.835 -10.524 13.741 1.00 0.00 C ATOM 659 O HIS A 41 1.905 -11.284 13.467 1.00 0.00 O ATOM 660 CB HIS A 41 5.152 -11.361 14.170 1.00 0.00 C ATOM 661 CG HIS A 41 6.389 -11.961 13.576 1.00 0.00 C ATOM 662 ND1 HIS A 41 6.360 -12.978 12.645 1.00 0.00 N ATOM 663 CD2 HIS A 41 7.697 -11.679 13.783 1.00 0.00 C ATOM 664 CE1 HIS A 41 7.597 -13.297 12.307 1.00 0.00 C ATOM 665 NE2 HIS A 41 8.427 -12.523 12.983 1.00 0.00 N ATOM 0 H HIS A 41 5.674 -9.223 13.063 1.00 0.00 H new ATOM 0 HA HIS A 41 4.126 -11.406 12.283 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.440 -10.601 14.897 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.609 -12.133 14.714 1.00 0.00 H new ATOM 0 HD2 HIS A 41 8.093 -10.930 14.453 1.00 0.00 H new ATOM 0 HE1 HIS A 41 7.881 -14.061 11.598 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.445 -12.548 12.921 1.00 0.00 H new ATOM 674 N ASP A 42 2.705 -9.491 14.567 1.00 0.00 N ATOM 675 CA ASP A 42 1.433 -9.183 15.212 1.00 0.00 C ATOM 676 C ASP A 42 0.765 -7.983 14.549 1.00 0.00 C ATOM 677 O ASP A 42 1.408 -7.225 13.824 1.00 0.00 O ATOM 678 CB ASP A 42 1.646 -8.906 16.701 1.00 0.00 C ATOM 679 CG ASP A 42 2.885 -8.073 16.963 1.00 0.00 C ATOM 680 OD1 ASP A 42 3.305 -7.330 16.051 1.00 0.00 O ATOM 681 OD2 ASP A 42 3.437 -8.165 18.080 1.00 0.00 O ATOM 0 H ASP A 42 3.464 -8.853 14.806 1.00 0.00 H new ATOM 0 HA ASP A 42 0.778 -10.048 15.101 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.773 -8.389 17.100 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.728 -9.852 17.236 1.00 0.00 H new ATOM 686 N GLU A 43 -0.530 -7.818 14.802 1.00 0.00 N ATOM 687 CA GLU A 43 -1.285 -6.711 14.228 1.00 0.00 C ATOM 688 C GLU A 43 -0.563 -5.385 14.453 1.00 0.00 C ATOM 689 O GLU A 43 -0.557 -4.513 13.583 1.00 0.00 O ATOM 690 CB GLU A 43 -2.687 -6.650 14.838 1.00 0.00 C ATOM 691 CG GLU A 43 -2.687 -6.492 16.349 1.00 0.00 C ATOM 692 CD GLU A 43 -4.064 -6.179 16.903 1.00 0.00 C ATOM 693 OE1 GLU A 43 -4.866 -7.122 17.069 1.00 0.00 O ATOM 694 OE2 GLU A 43 -4.339 -4.991 17.170 1.00 0.00 O ATOM 0 H GLU A 43 -1.077 -8.437 15.400 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.370 -6.881 13.155 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.231 -5.816 14.394 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.228 -7.559 14.576 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.315 -7.409 16.806 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.998 -5.695 16.627 1.00 0.00 H new ATOM 701 N THR A 44 0.044 -5.241 15.626 1.00 0.00 N ATOM 702 CA THR A 44 0.768 -4.022 15.967 1.00 0.00 C ATOM 703 C THR A 44 2.211 -4.085 15.481 1.00 0.00 C ATOM 704 O THR A 44 2.627 -5.067 14.867 1.00 0.00 O ATOM 705 CB THR A 44 0.761 -3.771 17.487 1.00 0.00 C ATOM 706 OG1 THR A 44 0.782 -5.019 18.190 1.00 0.00 O ATOM 707 CG2 THR A 44 -0.467 -2.973 17.898 1.00 0.00 C ATOM 0 H THR A 44 0.049 -5.953 16.356 1.00 0.00 H new ATOM 0 HA THR A 44 0.255 -3.200 15.468 1.00 0.00 H new ATOM 0 HB THR A 44 1.651 -3.196 17.742 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.124 -5.390 18.225 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.450 -2.808 18.975 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.465 -2.012 17.384 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.367 -3.526 17.630 1.00 0.00 H new ATOM 715 N ALA A 45 2.971 -3.031 15.760 1.00 0.00 N ATOM 716 CA ALA A 45 4.369 -2.969 15.352 1.00 0.00 C ATOM 717 C ALA A 45 5.298 -3.155 16.547 1.00 0.00 C ATOM 718 O ALA A 45 5.595 -2.203 17.268 1.00 0.00 O ATOM 719 CB ALA A 45 4.658 -1.646 14.658 1.00 0.00 C ATOM 0 H ALA A 45 2.642 -2.209 16.267 1.00 0.00 H new ATOM 0 HA ALA A 45 4.554 -3.783 14.651 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.706 -1.613 14.359 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.025 -1.552 13.775 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.450 -0.823 15.342 1.00 0.00 H new ATOM 725 N GLN A 46 5.752 -4.387 16.751 1.00 0.00 N ATOM 726 CA GLN A 46 6.646 -4.698 17.861 1.00 0.00 C ATOM 727 C GLN A 46 7.917 -5.378 17.362 1.00 0.00 C ATOM 728 O GLN A 46 9.024 -5.023 17.768 1.00 0.00 O ATOM 729 CB GLN A 46 5.939 -5.595 18.878 1.00 0.00 C ATOM 730 CG GLN A 46 4.636 -5.011 19.401 1.00 0.00 C ATOM 731 CD GLN A 46 4.220 -5.612 20.729 1.00 0.00 C ATOM 732 OE1 GLN A 46 5.012 -6.277 21.399 1.00 0.00 O ATOM 733 NE2 GLN A 46 2.972 -5.381 21.119 1.00 0.00 N ATOM 0 H GLN A 46 5.516 -5.186 16.163 1.00 0.00 H new ATOM 0 HA GLN A 46 6.923 -3.761 18.345 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.735 -6.562 18.418 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.609 -5.777 19.718 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.744 -3.932 19.513 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.847 -5.178 18.668 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.349 -4.825 20.533 1.00 0.00 H new ATOM 0 HE22 GLN A 46 2.636 -5.760 22.004 1.00 0.00 H new ATOM 742 N ASP A 47 7.750 -6.358 16.480 1.00 0.00 N ATOM 743 CA ASP A 47 8.884 -7.088 15.925 1.00 0.00 C ATOM 744 C ASP A 47 8.967 -6.897 14.414 1.00 0.00 C ATOM 745 O ASP A 47 8.640 -7.801 13.646 1.00 0.00 O ATOM 746 CB ASP A 47 8.771 -8.577 16.258 1.00 0.00 C ATOM 747 CG ASP A 47 9.328 -8.907 17.629 1.00 0.00 C ATOM 748 OD1 ASP A 47 8.768 -8.416 18.631 1.00 0.00 O ATOM 749 OD2 ASP A 47 10.323 -9.658 17.699 1.00 0.00 O ATOM 0 H ASP A 47 6.841 -6.665 16.134 1.00 0.00 H new ATOM 0 HA ASP A 47 9.795 -6.691 16.373 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.724 -8.878 16.212 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.303 -9.157 15.504 1.00 0.00 H new ATOM 754 N GLU A 48 9.404 -5.713 13.996 1.00 0.00 N ATOM 755 CA GLU A 48 9.527 -5.403 12.576 1.00 0.00 C ATOM 756 C GLU A 48 10.077 -6.599 11.804 1.00 0.00 C ATOM 757 O GLU A 48 11.064 -7.211 12.209 1.00 0.00 O ATOM 758 CB GLU A 48 10.436 -4.189 12.373 1.00 0.00 C ATOM 759 CG GLU A 48 10.470 -3.688 10.939 1.00 0.00 C ATOM 760 CD GLU A 48 11.508 -2.603 10.725 1.00 0.00 C ATOM 761 OE1 GLU A 48 11.431 -1.564 11.414 1.00 0.00 O ATOM 762 OE2 GLU A 48 12.397 -2.793 9.869 1.00 0.00 O ATOM 0 H GLU A 48 9.678 -4.954 14.619 1.00 0.00 H new ATOM 0 HA GLU A 48 8.533 -5.171 12.193 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.100 -3.381 13.023 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.448 -4.448 12.683 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.680 -4.523 10.271 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.487 -3.303 10.669 1.00 0.00 H new ATOM 769 N GLU A 49 9.429 -6.926 10.690 1.00 0.00 N ATOM 770 CA GLU A 49 9.852 -8.049 9.862 1.00 0.00 C ATOM 771 C GLU A 49 10.586 -7.560 8.616 1.00 0.00 C ATOM 772 O GLU A 49 11.717 -7.968 8.349 1.00 0.00 O ATOM 773 CB GLU A 49 8.644 -8.896 9.456 1.00 0.00 C ATOM 774 CG GLU A 49 8.999 -10.330 9.101 1.00 0.00 C ATOM 775 CD GLU A 49 7.824 -11.277 9.256 1.00 0.00 C ATOM 776 OE1 GLU A 49 6.674 -10.792 9.310 1.00 0.00 O ATOM 777 OE2 GLU A 49 8.055 -12.502 9.322 1.00 0.00 O ATOM 0 H GLU A 49 8.610 -6.429 10.341 1.00 0.00 H new ATOM 0 HA GLU A 49 10.536 -8.662 10.449 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.923 -8.901 10.273 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.154 -8.429 8.601 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.358 -10.368 8.073 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.818 -10.666 9.737 1.00 0.00 H new ATOM 784 N ASP A 50 9.935 -6.685 7.858 1.00 0.00 N ATOM 785 CA ASP A 50 10.525 -6.140 6.641 1.00 0.00 C ATOM 786 C ASP A 50 9.761 -4.905 6.173 1.00 0.00 C ATOM 787 O ASP A 50 8.736 -4.542 6.749 1.00 0.00 O ATOM 788 CB ASP A 50 10.536 -7.197 5.536 1.00 0.00 C ATOM 789 CG ASP A 50 11.668 -6.992 4.549 1.00 0.00 C ATOM 790 OD1 ASP A 50 12.724 -6.467 4.959 1.00 0.00 O ATOM 791 OD2 ASP A 50 11.497 -7.355 3.366 1.00 0.00 O ATOM 0 H ASP A 50 8.998 -6.338 8.065 1.00 0.00 H new ATOM 0 HA ASP A 50 11.551 -5.848 6.864 1.00 0.00 H new ATOM 0 HB2 ASP A 50 10.624 -8.186 5.985 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.585 -7.172 5.004 1.00 0.00 H new ATOM 796 N ARG A 51 10.269 -4.263 5.126 1.00 0.00 N ATOM 797 CA ARG A 51 9.636 -3.067 4.583 1.00 0.00 C ATOM 798 C ARG A 51 9.993 -2.885 3.110 1.00 0.00 C ATOM 799 O ARG A 51 11.167 -2.778 2.753 1.00 0.00 O ATOM 800 CB ARG A 51 10.062 -1.832 5.378 1.00 0.00 C ATOM 801 CG ARG A 51 9.152 -0.633 5.175 1.00 0.00 C ATOM 802 CD ARG A 51 9.767 0.637 5.742 1.00 0.00 C ATOM 803 NE ARG A 51 9.426 0.830 7.149 1.00 0.00 N ATOM 804 CZ ARG A 51 10.084 0.256 8.150 1.00 0.00 C ATOM 805 NH1 ARG A 51 11.113 -0.542 7.900 1.00 0.00 N ATOM 806 NH2 ARG A 51 9.713 0.480 9.404 1.00 0.00 N ATOM 0 H ARG A 51 11.117 -4.551 4.637 1.00 0.00 H new ATOM 0 HA ARG A 51 8.556 -3.189 4.666 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.086 -2.084 6.438 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.078 -1.559 5.092 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.956 -0.500 4.111 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.191 -0.819 5.655 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.851 0.594 5.634 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.423 1.495 5.165 1.00 0.00 H new ATOM 0 HE ARG A 51 8.640 1.439 7.375 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.401 -0.716 6.937 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.617 -0.981 8.671 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.922 1.093 9.600 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.219 0.039 10.172 1.00 0.00 H new ATOM 820 N VAL A 52 8.973 -2.851 2.259 1.00 0.00 N ATOM 821 CA VAL A 52 9.178 -2.681 0.826 1.00 0.00 C ATOM 822 C VAL A 52 8.613 -1.350 0.343 1.00 0.00 C ATOM 823 O VAL A 52 7.458 -1.020 0.612 1.00 0.00 O ATOM 824 CB VAL A 52 8.525 -3.824 0.026 1.00 0.00 C ATOM 825 CG1 VAL A 52 9.198 -5.151 0.342 1.00 0.00 C ATOM 826 CG2 VAL A 52 7.033 -3.892 0.316 1.00 0.00 C ATOM 0 H VAL A 52 7.996 -2.939 2.537 1.00 0.00 H new ATOM 0 HA VAL A 52 10.255 -2.698 0.657 1.00 0.00 H new ATOM 0 HB VAL A 52 8.657 -3.621 -1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.723 -5.946 -0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 52 10.254 -5.095 0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.100 -5.364 1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 52 6.588 -4.705 -0.257 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.877 -4.070 1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.564 -2.949 0.034 1.00 0.00 H new ATOM 836 N VAL A 53 9.435 -0.588 -0.371 1.00 0.00 N ATOM 837 CA VAL A 53 9.017 0.707 -0.893 1.00 0.00 C ATOM 838 C VAL A 53 7.779 0.572 -1.773 1.00 0.00 C ATOM 839 O VAL A 53 7.682 -0.347 -2.587 1.00 0.00 O ATOM 840 CB VAL A 53 10.142 1.374 -1.707 1.00 0.00 C ATOM 841 CG1 VAL A 53 9.698 2.738 -2.213 1.00 0.00 C ATOM 842 CG2 VAL A 53 11.406 1.492 -0.870 1.00 0.00 C ATOM 0 H VAL A 53 10.395 -0.845 -0.601 1.00 0.00 H new ATOM 0 HA VAL A 53 8.781 1.333 -0.033 1.00 0.00 H new ATOM 0 HB VAL A 53 10.363 0.747 -2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.505 3.194 -2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.822 2.622 -2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.448 3.377 -1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 53 12.191 1.965 -1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 53 11.202 2.097 0.014 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.733 0.499 -0.562 1.00 0.00 H new ATOM 852 N ILE A 54 6.837 1.493 -1.605 1.00 0.00 N ATOM 853 CA ILE A 54 5.606 1.477 -2.385 1.00 0.00 C ATOM 854 C ILE A 54 5.598 2.595 -3.422 1.00 0.00 C ATOM 855 O ILE A 54 5.137 2.408 -4.549 1.00 0.00 O ATOM 856 CB ILE A 54 4.365 1.620 -1.483 1.00 0.00 C ATOM 857 CG1 ILE A 54 4.150 0.342 -0.669 1.00 0.00 C ATOM 858 CG2 ILE A 54 3.135 1.935 -2.321 1.00 0.00 C ATOM 859 CD1 ILE A 54 3.916 -0.885 -1.522 1.00 0.00 C ATOM 0 H ILE A 54 6.902 2.260 -0.936 1.00 0.00 H new ATOM 0 HA ILE A 54 5.567 0.513 -2.892 1.00 0.00 H new ATOM 0 HB ILE A 54 4.529 2.446 -0.791 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.021 0.174 -0.035 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.296 0.482 -0.006 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.266 2.033 -1.670 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.292 2.869 -2.860 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.964 1.129 -3.034 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.772 -1.753 -0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.028 -0.737 -2.137 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.780 -1.050 -2.166 1.00 0.00 H new ATOM 871 N HIS A 55 6.112 3.758 -3.034 1.00 0.00 N ATOM 872 CA HIS A 55 6.167 4.907 -3.931 1.00 0.00 C ATOM 873 C HIS A 55 6.705 4.502 -5.300 1.00 0.00 C ATOM 874 O HIS A 55 7.851 4.069 -5.425 1.00 0.00 O ATOM 875 CB HIS A 55 7.042 6.008 -3.332 1.00 0.00 C ATOM 876 CG HIS A 55 6.847 7.345 -3.976 1.00 0.00 C ATOM 877 ND1 HIS A 55 7.883 8.079 -4.515 1.00 0.00 N ATOM 878 CD2 HIS A 55 5.727 8.081 -4.168 1.00 0.00 C ATOM 879 CE1 HIS A 55 7.408 9.209 -5.009 1.00 0.00 C ATOM 880 NE2 HIS A 55 6.103 9.234 -4.812 1.00 0.00 N ATOM 0 H HIS A 55 6.496 3.930 -2.105 1.00 0.00 H new ATOM 0 HA HIS A 55 5.153 5.287 -4.056 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.827 6.092 -2.267 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.089 5.719 -3.424 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.724 7.811 -3.870 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.989 9.981 -5.492 1.00 0.00 H new ATOM 0 HE2 HIS A 55 5.476 9.988 -5.093 1.00 0.00 H new ATOM 889 N PHE A 56 5.871 4.645 -6.325 1.00 0.00 N ATOM 890 CA PHE A 56 6.263 4.292 -7.685 1.00 0.00 C ATOM 891 C PHE A 56 7.154 3.054 -7.690 1.00 0.00 C ATOM 892 O PHE A 56 8.140 2.989 -8.424 1.00 0.00 O ATOM 893 CB PHE A 56 6.992 5.463 -8.348 1.00 0.00 C ATOM 894 CG PHE A 56 6.121 6.668 -8.561 1.00 0.00 C ATOM 895 CD1 PHE A 56 5.900 7.570 -7.533 1.00 0.00 C ATOM 896 CD2 PHE A 56 5.524 6.898 -9.790 1.00 0.00 C ATOM 897 CE1 PHE A 56 5.100 8.680 -7.726 1.00 0.00 C ATOM 898 CE2 PHE A 56 4.723 8.007 -9.989 1.00 0.00 C ATOM 899 CZ PHE A 56 4.510 8.898 -8.956 1.00 0.00 C ATOM 0 H PHE A 56 4.920 5.003 -6.240 1.00 0.00 H new ATOM 0 HA PHE A 56 5.359 4.069 -8.251 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.845 5.746 -7.731 1.00 0.00 H new ATOM 0 HB3 PHE A 56 7.388 5.136 -9.309 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.358 7.404 -6.569 1.00 0.00 H new ATOM 0 HD2 PHE A 56 5.686 6.204 -10.601 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.936 9.376 -6.917 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.264 8.176 -10.952 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.883 9.764 -9.109 1.00 0.00 H new ATOM 909 N ASN A 57 6.800 2.074 -6.866 1.00 0.00 N ATOM 910 CA ASN A 57 7.568 0.837 -6.774 1.00 0.00 C ATOM 911 C ASN A 57 6.668 -0.378 -6.974 1.00 0.00 C ATOM 912 O ASN A 57 7.043 -1.503 -6.643 1.00 0.00 O ATOM 913 CB ASN A 57 8.270 0.748 -5.417 1.00 0.00 C ATOM 914 CG ASN A 57 9.519 -0.111 -5.468 1.00 0.00 C ATOM 915 OD1 ASN A 57 10.479 0.211 -6.169 1.00 0.00 O ATOM 916 ND2 ASN A 57 9.512 -1.210 -4.724 1.00 0.00 N ATOM 0 H ASN A 57 5.986 2.112 -6.252 1.00 0.00 H new ATOM 0 HA ASN A 57 8.319 0.845 -7.564 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.535 1.751 -5.082 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.580 0.338 -4.680 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.324 -1.827 -4.718 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.694 -1.438 -4.158 1.00 0.00 H new ATOM 923 N VAL A 58 5.479 -0.144 -7.520 1.00 0.00 N ATOM 924 CA VAL A 58 4.526 -1.219 -7.767 1.00 0.00 C ATOM 925 C VAL A 58 4.353 -1.468 -9.261 1.00 0.00 C ATOM 926 O VAL A 58 3.670 -0.713 -9.952 1.00 0.00 O ATOM 927 CB VAL A 58 3.151 -0.903 -7.148 1.00 0.00 C ATOM 928 CG1 VAL A 58 2.129 -1.955 -7.552 1.00 0.00 C ATOM 929 CG2 VAL A 58 3.258 -0.806 -5.634 1.00 0.00 C ATOM 0 H VAL A 58 5.153 0.781 -7.800 1.00 0.00 H new ATOM 0 HA VAL A 58 4.931 -2.115 -7.297 1.00 0.00 H new ATOM 0 HB VAL A 58 2.814 0.061 -7.528 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.164 -1.715 -7.105 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.033 -1.971 -8.638 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.457 -2.934 -7.203 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.278 -0.582 -5.214 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.617 -1.754 -5.233 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.956 -0.012 -5.369 1.00 0.00 H new ATOM 939 N ARG A 59 4.978 -2.533 -9.754 1.00 0.00 N ATOM 940 CA ARG A 59 4.894 -2.882 -11.167 1.00 0.00 C ATOM 941 C ARG A 59 3.446 -3.130 -11.580 1.00 0.00 C ATOM 942 O ARG A 59 2.914 -2.444 -12.453 1.00 0.00 O ATOM 943 CB ARG A 59 5.739 -4.124 -11.458 1.00 0.00 C ATOM 944 CG ARG A 59 6.301 -4.161 -12.870 1.00 0.00 C ATOM 945 CD ARG A 59 7.622 -4.911 -12.925 1.00 0.00 C ATOM 946 NE ARG A 59 7.430 -6.340 -13.155 1.00 0.00 N ATOM 947 CZ ARG A 59 8.424 -7.182 -13.417 1.00 0.00 C ATOM 948 NH1 ARG A 59 9.673 -6.740 -13.480 1.00 0.00 N ATOM 949 NH2 ARG A 59 8.170 -8.469 -13.615 1.00 0.00 N ATOM 0 H ARG A 59 5.548 -3.169 -9.196 1.00 0.00 H new ATOM 0 HA ARG A 59 5.281 -2.044 -11.747 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.564 -4.167 -10.747 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.131 -5.014 -11.295 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.582 -4.638 -13.536 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.444 -3.143 -13.232 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.242 -4.496 -13.720 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.162 -4.764 -11.990 1.00 0.00 H new ATOM 0 HE ARG A 59 6.481 -6.712 -13.112 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.872 -5.751 -13.327 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.434 -7.389 -13.681 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.211 -8.813 -13.566 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.934 -9.115 -13.816 1.00 0.00 H new ATOM 963 N ASP A 60 2.817 -4.115 -10.949 1.00 0.00 N ATOM 964 CA ASP A 60 1.431 -4.454 -11.251 1.00 0.00 C ATOM 965 C ASP A 60 0.814 -5.275 -10.123 1.00 0.00 C ATOM 966 O ASP A 60 1.490 -6.089 -9.493 1.00 0.00 O ATOM 967 CB ASP A 60 1.348 -5.229 -12.567 1.00 0.00 C ATOM 968 CG ASP A 60 2.327 -4.715 -13.604 1.00 0.00 C ATOM 969 OD1 ASP A 60 1.979 -3.757 -14.325 1.00 0.00 O ATOM 970 OD2 ASP A 60 3.442 -5.272 -13.695 1.00 0.00 O ATOM 0 H ASP A 60 3.245 -4.693 -10.225 1.00 0.00 H new ATOM 0 HA ASP A 60 0.869 -3.525 -11.349 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.545 -6.284 -12.377 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.335 -5.160 -12.963 1.00 0.00 H new ATOM 975 N ILE A 61 -0.472 -5.054 -9.873 1.00 0.00 N ATOM 976 CA ILE A 61 -1.180 -5.774 -8.821 1.00 0.00 C ATOM 977 C ILE A 61 -2.301 -6.631 -9.399 1.00 0.00 C ATOM 978 O ILE A 61 -3.207 -6.123 -10.060 1.00 0.00 O ATOM 979 CB ILE A 61 -1.772 -4.808 -7.779 1.00 0.00 C ATOM 980 CG1 ILE A 61 -0.655 -4.154 -6.963 1.00 0.00 C ATOM 981 CG2 ILE A 61 -2.742 -5.543 -6.865 1.00 0.00 C ATOM 982 CD1 ILE A 61 -1.130 -3.010 -6.095 1.00 0.00 C ATOM 0 H ILE A 61 -1.045 -4.383 -10.384 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.449 -6.419 -8.333 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.319 -4.025 -8.303 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.188 -4.909 -6.331 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.114 -3.788 -7.643 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.152 -4.846 -6.134 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.553 -5.965 -7.459 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.217 -6.345 -6.347 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.285 -2.595 -5.546 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.570 -2.235 -6.723 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.877 -3.374 -5.390 1.00 0.00 H new ATOM 994 N LYS A 62 -2.234 -7.933 -9.144 1.00 0.00 N ATOM 995 CA LYS A 62 -3.245 -8.862 -9.635 1.00 0.00 C ATOM 996 C LYS A 62 -4.208 -9.258 -8.521 1.00 0.00 C ATOM 997 O LYS A 62 -3.863 -9.202 -7.340 1.00 0.00 O ATOM 998 CB LYS A 62 -2.579 -10.111 -10.217 1.00 0.00 C ATOM 999 CG LYS A 62 -1.447 -9.804 -11.181 1.00 0.00 C ATOM 1000 CD LYS A 62 -0.681 -11.061 -11.561 1.00 0.00 C ATOM 1001 CE LYS A 62 0.608 -10.727 -12.295 1.00 0.00 C ATOM 1002 NZ LYS A 62 1.422 -11.944 -12.568 1.00 0.00 N ATOM 0 H LYS A 62 -1.490 -8.369 -8.600 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.812 -8.361 -10.419 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.194 -10.721 -9.400 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.332 -10.707 -10.732 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.850 -9.337 -12.080 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.765 -9.085 -10.726 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.451 -11.634 -10.663 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.307 -11.693 -12.191 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.372 -10.229 -13.236 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.193 -10.025 -11.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.292 -11.674 -13.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.669 -12.405 -11.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.874 -12.604 -13.156 1.00 0.00 H new ATOM 1016 N VAL A 63 -5.416 -9.660 -8.903 1.00 0.00 N ATOM 1017 CA VAL A 63 -6.428 -10.068 -7.936 1.00 0.00 C ATOM 1018 C VAL A 63 -7.348 -11.134 -8.521 1.00 0.00 C ATOM 1019 O VAL A 63 -7.835 -11.001 -9.643 1.00 0.00 O ATOM 1020 CB VAL A 63 -7.277 -8.869 -7.473 1.00 0.00 C ATOM 1021 CG1 VAL A 63 -8.252 -9.294 -6.385 1.00 0.00 C ATOM 1022 CG2 VAL A 63 -6.383 -7.739 -6.987 1.00 0.00 C ATOM 0 H VAL A 63 -5.718 -9.712 -9.876 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.898 -10.481 -7.078 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.854 -8.505 -8.323 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.843 -8.434 -6.070 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.915 -10.068 -6.772 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.697 -9.685 -5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.000 -6.900 -6.664 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.778 -8.088 -6.150 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.730 -7.417 -7.798 1.00 0.00 H new ATOM 1032 N GLY A 64 -7.583 -12.192 -7.751 1.00 0.00 N ATOM 1033 CA GLY A 64 -8.445 -13.266 -8.209 1.00 0.00 C ATOM 1034 C GLY A 64 -7.786 -14.127 -9.267 1.00 0.00 C ATOM 1035 O GLY A 64 -6.697 -14.659 -9.053 1.00 0.00 O ATOM 0 H GLY A 64 -7.192 -12.325 -6.818 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.725 -13.890 -7.360 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.365 -12.843 -8.611 1.00 0.00 H new ATOM 1039 N GLN A 65 -8.448 -14.267 -10.411 1.00 0.00 N ATOM 1040 CA GLN A 65 -7.919 -15.073 -11.505 1.00 0.00 C ATOM 1041 C GLN A 65 -6.560 -14.550 -11.959 1.00 0.00 C ATOM 1042 O GLN A 65 -5.614 -15.320 -12.128 1.00 0.00 O ATOM 1043 CB GLN A 65 -8.896 -15.075 -12.683 1.00 0.00 C ATOM 1044 CG GLN A 65 -9.955 -16.162 -12.591 1.00 0.00 C ATOM 1045 CD GLN A 65 -11.032 -16.017 -13.649 1.00 0.00 C ATOM 1046 OE1 GLN A 65 -12.161 -15.625 -13.353 1.00 0.00 O ATOM 1047 NE2 GLN A 65 -10.688 -16.335 -14.892 1.00 0.00 N ATOM 0 H GLN A 65 -9.351 -13.833 -10.604 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.793 -16.093 -11.143 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.388 -14.104 -12.739 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.336 -15.202 -13.609 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.479 -17.137 -12.693 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.415 -16.134 -11.603 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.741 -16.656 -15.093 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.371 -16.258 -15.646 1.00 0.00 H new ATOM 1056 N GLU A 66 -6.470 -13.238 -12.154 1.00 0.00 N ATOM 1057 CA GLU A 66 -5.226 -12.614 -12.589 1.00 0.00 C ATOM 1058 C GLU A 66 -4.020 -13.324 -11.979 1.00 0.00 C ATOM 1059 O GLU A 66 -3.038 -13.604 -12.668 1.00 0.00 O ATOM 1060 CB GLU A 66 -5.210 -11.134 -12.203 1.00 0.00 C ATOM 1061 CG GLU A 66 -6.365 -10.340 -12.788 1.00 0.00 C ATOM 1062 CD GLU A 66 -6.099 -8.847 -12.801 1.00 0.00 C ATOM 1063 OE1 GLU A 66 -5.473 -8.347 -11.844 1.00 0.00 O ATOM 1064 OE2 GLU A 66 -6.518 -8.179 -13.770 1.00 0.00 O ATOM 0 H GLU A 66 -7.243 -12.587 -12.018 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.166 -12.699 -13.674 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.236 -11.050 -11.117 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.271 -10.691 -12.534 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.556 -10.680 -13.806 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.268 -10.539 -12.210 1.00 0.00 H new ATOM 1071 N CYS A 67 -4.101 -13.609 -10.685 1.00 0.00 N ATOM 1072 CA CYS A 67 -3.016 -14.284 -9.981 1.00 0.00 C ATOM 1073 C CYS A 67 -2.445 -15.420 -10.824 1.00 0.00 C ATOM 1074 O CYS A 67 -3.135 -15.981 -11.675 1.00 0.00 O ATOM 1075 CB CYS A 67 -3.510 -14.828 -8.640 1.00 0.00 C ATOM 1076 SG CYS A 67 -3.333 -13.669 -7.263 1.00 0.00 S ATOM 0 H CYS A 67 -4.906 -13.383 -10.101 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.225 -13.556 -9.800 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.560 -15.103 -8.736 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -2.961 -15.740 -8.406 1.00 0.00 H new ATOM 0 HG CYS A 67 -2.947 -14.312 -6.201 1.00 0.00 H new ATOM 1144 N PRO A 72 -5.985 -20.876 -3.558 1.00 0.00 N ATOM 1145 CA PRO A 72 -6.430 -20.268 -2.300 1.00 0.00 C ATOM 1146 C PRO A 72 -6.304 -21.223 -1.119 1.00 0.00 C ATOM 1147 O PRO A 72 -6.442 -22.439 -1.255 1.00 0.00 O ATOM 1148 CB PRO A 72 -7.901 -19.938 -2.567 1.00 0.00 C ATOM 1149 CG PRO A 72 -8.320 -20.900 -3.623 1.00 0.00 C ATOM 1150 CD PRO A 72 -7.105 -21.130 -4.480 1.00 0.00 C ATOM 0 HA PRO A 72 -5.827 -19.401 -2.030 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.502 -20.053 -1.665 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -8.021 -18.907 -2.900 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.670 -21.834 -3.183 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.143 -20.497 -4.213 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -7.078 -22.146 -4.875 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -7.083 -20.455 -5.335 1.00 0.00 H new ATOM 1158 N PRO A 73 -6.036 -20.662 0.070 1.00 0.00 N ATOM 1159 CA PRO A 73 -5.887 -21.447 1.300 1.00 0.00 C ATOM 1160 C PRO A 73 -7.208 -22.045 1.769 1.00 0.00 C ATOM 1161 O PRO A 73 -8.174 -22.111 1.010 1.00 0.00 O ATOM 1162 CB PRO A 73 -5.373 -20.422 2.314 1.00 0.00 C ATOM 1163 CG PRO A 73 -5.859 -19.109 1.805 1.00 0.00 C ATOM 1164 CD PRO A 73 -5.858 -19.220 0.306 1.00 0.00 C ATOM 0 HA PRO A 73 -5.223 -22.300 1.162 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.758 -20.626 3.313 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.285 -20.443 2.381 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.859 -18.891 2.179 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.211 -18.298 2.137 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.664 -18.637 -0.140 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.925 -18.855 -0.123 1.00 0.00 H new ATOM 1172 N GLU A 74 -7.243 -22.479 3.026 1.00 0.00 N ATOM 1173 CA GLU A 74 -8.447 -23.073 3.595 1.00 0.00 C ATOM 1174 C GLU A 74 -9.468 -21.996 3.950 1.00 0.00 C ATOM 1175 O GLU A 74 -9.141 -21.005 4.601 1.00 0.00 O ATOM 1176 CB GLU A 74 -8.099 -23.891 4.840 1.00 0.00 C ATOM 1177 CG GLU A 74 -9.080 -25.016 5.123 1.00 0.00 C ATOM 1178 CD GLU A 74 -8.490 -26.096 6.009 1.00 0.00 C ATOM 1179 OE1 GLU A 74 -7.414 -26.626 5.663 1.00 0.00 O ATOM 1180 OE2 GLU A 74 -9.106 -26.411 7.049 1.00 0.00 O ATOM 0 H GLU A 74 -6.452 -22.430 3.668 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.885 -23.733 2.846 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.101 -24.312 4.720 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.063 -23.226 5.703 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.970 -24.606 5.601 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.400 -25.460 4.180 1.00 0.00 H new ATOM 1187 N GLY A 75 -10.709 -22.199 3.516 1.00 0.00 N ATOM 1188 CA GLY A 75 -11.759 -21.238 3.796 1.00 0.00 C ATOM 1189 C GLY A 75 -11.895 -20.194 2.706 1.00 0.00 C ATOM 1190 O GLY A 75 -12.978 -20.004 2.151 1.00 0.00 O ATOM 0 H GLY A 75 -11.005 -23.012 2.976 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.707 -21.764 3.912 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.551 -20.743 4.745 1.00 0.00 H new ATOM 1194 N ARG A 76 -10.795 -19.514 2.399 1.00 0.00 N ATOM 1195 CA ARG A 76 -10.798 -18.481 1.370 1.00 0.00 C ATOM 1196 C ARG A 76 -11.193 -19.063 0.016 1.00 0.00 C ATOM 1197 O ARG A 76 -11.385 -20.271 -0.119 1.00 0.00 O ATOM 1198 CB ARG A 76 -9.419 -17.825 1.273 1.00 0.00 C ATOM 1199 CG ARG A 76 -9.138 -16.830 2.386 1.00 0.00 C ATOM 1200 CD ARG A 76 -9.800 -17.249 3.689 1.00 0.00 C ATOM 1201 NE ARG A 76 -9.556 -16.288 4.761 1.00 0.00 N ATOM 1202 CZ ARG A 76 -10.109 -16.376 5.966 1.00 0.00 C ATOM 1203 NH1 ARG A 76 -10.931 -17.376 6.251 1.00 0.00 N ATOM 1204 NH2 ARG A 76 -9.838 -15.462 6.890 1.00 0.00 N ATOM 0 H ARG A 76 -9.891 -19.660 2.848 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.533 -17.727 1.650 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.655 -18.602 1.290 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.335 -17.316 0.313 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.062 -16.744 2.535 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.499 -15.844 2.094 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.874 -17.353 3.533 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -9.425 -18.228 3.988 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.927 -15.507 4.575 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.141 -18.081 5.544 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.354 -17.441 7.177 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.205 -14.692 6.675 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.263 -15.530 7.815 1.00 0.00 H new ATOM 1218 N SER A 77 -11.313 -18.195 -0.983 1.00 0.00 N ATOM 1219 CA SER A 77 -11.689 -18.622 -2.325 1.00 0.00 C ATOM 1220 C SER A 77 -10.815 -17.945 -3.376 1.00 0.00 C ATOM 1221 O SER A 77 -9.910 -17.178 -3.046 1.00 0.00 O ATOM 1222 CB SER A 77 -13.162 -18.305 -2.590 1.00 0.00 C ATOM 1223 OG SER A 77 -13.704 -19.175 -3.569 1.00 0.00 O ATOM 0 H SER A 77 -11.155 -17.192 -0.888 1.00 0.00 H new ATOM 0 HA SER A 77 -11.538 -19.699 -2.392 1.00 0.00 H new ATOM 0 HB2 SER A 77 -13.729 -18.397 -1.664 1.00 0.00 H new ATOM 0 HB3 SER A 77 -13.260 -17.272 -2.923 1.00 0.00 H new ATOM 0 HG SER A 77 -14.647 -18.952 -3.719 1.00 0.00 H new ATOM 1229 N ARG A 78 -11.092 -18.234 -4.643 1.00 0.00 N ATOM 1230 CA ARG A 78 -10.331 -17.655 -5.744 1.00 0.00 C ATOM 1231 C ARG A 78 -10.718 -16.195 -5.963 1.00 0.00 C ATOM 1232 O ARG A 78 -10.172 -15.523 -6.839 1.00 0.00 O ATOM 1233 CB ARG A 78 -10.562 -18.453 -7.028 1.00 0.00 C ATOM 1234 CG ARG A 78 -9.744 -19.732 -7.105 1.00 0.00 C ATOM 1235 CD ARG A 78 -8.317 -19.454 -7.553 1.00 0.00 C ATOM 1236 NE ARG A 78 -8.225 -19.259 -8.998 1.00 0.00 N ATOM 1237 CZ ARG A 78 -8.412 -20.230 -9.884 1.00 0.00 C ATOM 1238 NH1 ARG A 78 -8.699 -21.458 -9.476 1.00 0.00 N ATOM 1239 NH2 ARG A 78 -8.311 -19.974 -11.182 1.00 0.00 N ATOM 0 H ARG A 78 -11.838 -18.866 -4.933 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.273 -17.698 -5.484 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.620 -18.703 -7.105 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.320 -17.825 -7.885 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.732 -20.217 -6.129 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.216 -20.426 -7.800 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.943 -18.566 -7.043 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.676 -20.285 -7.258 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.005 -18.326 -9.345 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.777 -21.659 -8.479 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.842 -22.202 -10.159 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.089 -19.030 -11.500 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.455 -20.721 -11.862 1.00 0.00 H new ATOM 1253 N ASP A 79 -11.662 -15.712 -5.163 1.00 0.00 N ATOM 1254 CA ASP A 79 -12.122 -14.332 -5.270 1.00 0.00 C ATOM 1255 C ASP A 79 -11.507 -13.469 -4.172 1.00 0.00 C ATOM 1256 O ASP A 79 -11.974 -12.362 -3.904 1.00 0.00 O ATOM 1257 CB ASP A 79 -13.648 -14.273 -5.188 1.00 0.00 C ATOM 1258 CG ASP A 79 -14.306 -14.401 -6.547 1.00 0.00 C ATOM 1259 OD1 ASP A 79 -14.401 -15.537 -7.057 1.00 0.00 O ATOM 1260 OD2 ASP A 79 -14.728 -13.364 -7.102 1.00 0.00 O ATOM 0 H ASP A 79 -12.124 -16.255 -4.433 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.803 -13.942 -6.236 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -14.005 -15.072 -4.538 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.948 -13.331 -4.730 1.00 0.00 H new ATOM 1265 N GLY A 80 -10.457 -13.983 -3.539 1.00 0.00 N ATOM 1266 CA GLY A 80 -9.797 -13.247 -2.478 1.00 0.00 C ATOM 1267 C GLY A 80 -8.312 -13.074 -2.729 1.00 0.00 C ATOM 1268 O GLY A 80 -7.685 -12.161 -2.188 1.00 0.00 O ATOM 0 H GLY A 80 -10.052 -14.897 -3.743 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.262 -12.266 -2.377 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.944 -13.769 -1.532 1.00 0.00 H new ATOM 1272 N LEU A 81 -7.746 -13.952 -3.550 1.00 0.00 N ATOM 1273 CA LEU A 81 -6.324 -13.893 -3.871 1.00 0.00 C ATOM 1274 C LEU A 81 -5.901 -12.468 -4.212 1.00 0.00 C ATOM 1275 O LEU A 81 -6.712 -11.661 -4.669 1.00 0.00 O ATOM 1276 CB LEU A 81 -6.007 -14.826 -5.041 1.00 0.00 C ATOM 1277 CG LEU A 81 -5.642 -16.264 -4.673 1.00 0.00 C ATOM 1278 CD1 LEU A 81 -6.545 -16.776 -3.562 1.00 0.00 C ATOM 1279 CD2 LEU A 81 -5.733 -17.167 -5.896 1.00 0.00 C ATOM 0 H LEU A 81 -8.250 -14.713 -4.005 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.764 -14.217 -2.994 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.871 -14.850 -5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.181 -14.397 -5.609 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.614 -16.277 -4.312 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.270 -17.801 -3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.430 -16.146 -2.680 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.583 -16.749 -3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.470 -18.187 -5.616 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.750 -17.149 -6.287 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.044 -16.812 -6.662 1.00 0.00 H new ATOM 1291 N LEU A 82 -4.627 -12.165 -3.989 1.00 0.00 N ATOM 1292 CA LEU A 82 -4.095 -10.837 -4.275 1.00 0.00 C ATOM 1293 C LEU A 82 -2.570 -10.857 -4.307 1.00 0.00 C ATOM 1294 O LEU A 82 -1.919 -11.066 -3.282 1.00 0.00 O ATOM 1295 CB LEU A 82 -4.581 -9.835 -3.227 1.00 0.00 C ATOM 1296 CG LEU A 82 -3.711 -8.593 -3.031 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -3.861 -7.645 -4.211 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -4.070 -7.890 -1.730 1.00 0.00 C ATOM 0 H LEU A 82 -3.943 -12.821 -3.611 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.457 -10.531 -5.257 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.585 -9.511 -3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.663 -10.351 -2.270 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.669 -8.908 -2.974 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.235 -6.767 -4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.553 -8.151 -5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.903 -7.337 -4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.441 -7.008 -1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.117 -7.588 -1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.910 -8.570 -0.893 1.00 0.00 H new ATOM 1310 N THR A 83 -2.005 -10.637 -5.490 1.00 0.00 N ATOM 1311 CA THR A 83 -0.557 -10.629 -5.655 1.00 0.00 C ATOM 1312 C THR A 83 -0.065 -9.263 -6.121 1.00 0.00 C ATOM 1313 O THR A 83 -0.670 -8.637 -6.991 1.00 0.00 O ATOM 1314 CB THR A 83 -0.101 -11.698 -6.666 1.00 0.00 C ATOM 1315 OG1 THR A 83 -0.513 -12.997 -6.225 1.00 0.00 O ATOM 1316 CG2 THR A 83 1.411 -11.671 -6.837 1.00 0.00 C ATOM 0 H THR A 83 -2.528 -10.462 -6.348 1.00 0.00 H new ATOM 0 HA THR A 83 -0.126 -10.855 -4.680 1.00 0.00 H new ATOM 0 HB THR A 83 -0.564 -11.478 -7.628 1.00 0.00 H new ATOM 0 HG1 THR A 83 -1.471 -13.113 -6.398 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.710 -12.434 -7.555 1.00 0.00 H new ATOM 0 HG22 THR A 83 1.719 -10.690 -7.200 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.889 -11.869 -5.878 1.00 0.00 H new ATOM 1324 N VAL A 84 1.039 -8.806 -5.537 1.00 0.00 N ATOM 1325 CA VAL A 84 1.614 -7.515 -5.893 1.00 0.00 C ATOM 1326 C VAL A 84 3.007 -7.679 -6.490 1.00 0.00 C ATOM 1327 O VAL A 84 3.731 -8.614 -6.152 1.00 0.00 O ATOM 1328 CB VAL A 84 1.698 -6.581 -4.671 1.00 0.00 C ATOM 1329 CG1 VAL A 84 2.228 -5.215 -5.078 1.00 0.00 C ATOM 1330 CG2 VAL A 84 0.337 -6.457 -4.001 1.00 0.00 C ATOM 0 H VAL A 84 1.553 -9.312 -4.815 1.00 0.00 H new ATOM 0 HA VAL A 84 0.953 -7.069 -6.637 1.00 0.00 H new ATOM 0 HB VAL A 84 2.393 -7.014 -3.952 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.280 -4.569 -4.202 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.224 -5.324 -5.508 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.561 -4.771 -5.817 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.415 -5.794 -3.140 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.382 -6.048 -4.711 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.002 -7.441 -3.672 1.00 0.00 H new ATOM 1340 N ASN A 85 3.375 -6.764 -7.380 1.00 0.00 N ATOM 1341 CA ASN A 85 4.683 -6.807 -8.025 1.00 0.00 C ATOM 1342 C ASN A 85 5.479 -5.540 -7.726 1.00 0.00 C ATOM 1343 O ASN A 85 4.979 -4.427 -7.888 1.00 0.00 O ATOM 1344 CB ASN A 85 4.523 -6.978 -9.537 1.00 0.00 C ATOM 1345 CG ASN A 85 4.402 -8.433 -9.945 1.00 0.00 C ATOM 1346 OD1 ASN A 85 3.589 -9.187 -9.214 1.00 0.00 O flip ATOM 1347 ND2 ASN A 85 5.033 -8.875 -10.906 1.00 0.00 N flip ATOM 0 H ASN A 85 2.787 -5.984 -7.671 1.00 0.00 H new ATOM 0 HA ASN A 85 5.230 -7.661 -7.625 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.638 -6.436 -9.869 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.379 -6.532 -10.043 1.00 0.00 H new ATOM 0 HD21 ASN A 85 5.647 -8.259 -11.440 1.00 0.00 H new ATOM 0 HD22 ASN A 85 4.942 -9.857 -11.168 1.00 0.00 H new ATOM 1354 N LEU A 86 6.721 -5.719 -7.290 1.00 0.00 N ATOM 1355 CA LEU A 86 7.588 -4.590 -6.969 1.00 0.00 C ATOM 1356 C LEU A 86 8.642 -4.388 -8.053 1.00 0.00 C ATOM 1357 O LEU A 86 9.068 -5.341 -8.705 1.00 0.00 O ATOM 1358 CB LEU A 86 8.267 -4.812 -5.616 1.00 0.00 C ATOM 1359 CG LEU A 86 7.335 -5.036 -4.425 1.00 0.00 C ATOM 1360 CD1 LEU A 86 8.084 -5.695 -3.277 1.00 0.00 C ATOM 1361 CD2 LEU A 86 6.717 -3.720 -3.977 1.00 0.00 C ATOM 0 H LEU A 86 7.150 -6.634 -7.151 1.00 0.00 H new ATOM 0 HA LEU A 86 6.971 -3.693 -6.916 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.928 -5.674 -5.701 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.896 -3.948 -5.402 1.00 0.00 H new ATOM 0 HG LEU A 86 6.532 -5.703 -4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.404 -5.846 -2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.477 -6.658 -3.604 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.908 -5.054 -2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.057 -3.898 -3.128 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.507 -3.029 -3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.144 -3.289 -4.798 1.00 0.00 H new ATOM 1373 N ARG A 87 9.060 -3.140 -8.238 1.00 0.00 N ATOM 1374 CA ARG A 87 10.065 -2.813 -9.242 1.00 0.00 C ATOM 1375 C ARG A 87 11.443 -3.308 -8.814 1.00 0.00 C ATOM 1376 O ARG A 87 12.300 -3.588 -9.651 1.00 0.00 O ATOM 1377 CB ARG A 87 10.106 -1.302 -9.480 1.00 0.00 C ATOM 1378 CG ARG A 87 9.091 -0.819 -10.503 1.00 0.00 C ATOM 1379 CD ARG A 87 9.558 0.454 -11.192 1.00 0.00 C ATOM 1380 NE ARG A 87 8.482 1.096 -11.943 1.00 0.00 N ATOM 1381 CZ ARG A 87 8.638 2.216 -12.639 1.00 0.00 C ATOM 1382 NH1 ARG A 87 9.820 2.815 -12.681 1.00 0.00 N ATOM 1383 NH2 ARG A 87 7.611 2.740 -13.296 1.00 0.00 N ATOM 0 H ARG A 87 8.718 -2.339 -7.706 1.00 0.00 H new ATOM 0 HA ARG A 87 9.790 -3.314 -10.171 1.00 0.00 H new ATOM 0 HB2 ARG A 87 9.929 -0.789 -8.535 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.106 -1.022 -9.812 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.925 -1.597 -11.248 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.135 -0.639 -10.012 1.00 0.00 H new ATOM 0 HD2 ARG A 87 9.944 1.149 -10.446 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.381 0.220 -11.867 1.00 0.00 H new ATOM 0 HE ARG A 87 7.560 0.660 -11.932 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.612 2.416 -12.178 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.937 3.675 -13.216 1.00 0.00 H new ATOM 0 HH21 ARG A 87 6.700 2.282 -13.267 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.733 3.600 -13.830 1.00 0.00 H new ATOM 1397 N GLU A 88 11.648 -3.413 -7.505 1.00 0.00 N ATOM 1398 CA GLU A 88 12.923 -3.874 -6.966 1.00 0.00 C ATOM 1399 C GLU A 88 13.234 -5.290 -7.441 1.00 0.00 C ATOM 1400 O GLU A 88 14.368 -5.756 -7.337 1.00 0.00 O ATOM 1401 CB GLU A 88 12.901 -3.830 -5.437 1.00 0.00 C ATOM 1402 CG GLU A 88 11.780 -4.648 -4.820 1.00 0.00 C ATOM 1403 CD GLU A 88 11.879 -4.730 -3.309 1.00 0.00 C ATOM 1404 OE1 GLU A 88 11.758 -3.677 -2.649 1.00 0.00 O ATOM 1405 OE2 GLU A 88 12.079 -5.847 -2.788 1.00 0.00 O ATOM 0 H GLU A 88 10.949 -3.185 -6.798 1.00 0.00 H new ATOM 0 HA GLU A 88 13.705 -3.207 -7.330 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.856 -4.194 -5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.804 -2.794 -5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.821 -4.208 -5.094 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.799 -5.655 -5.236 1.00 0.00 H new ATOM 1412 N GLY A 89 12.217 -5.970 -7.962 1.00 0.00 N ATOM 1413 CA GLY A 89 12.402 -7.327 -8.444 1.00 0.00 C ATOM 1414 C GLY A 89 11.888 -8.365 -7.467 1.00 0.00 C ATOM 1415 O GLY A 89 12.616 -9.280 -7.083 1.00 0.00 O ATOM 0 H GLY A 89 11.269 -5.606 -8.059 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.887 -7.444 -9.398 1.00 0.00 H new ATOM 0 HA3 GLY A 89 13.462 -7.502 -8.631 1.00 0.00 H new ATOM 1419 N SER A 90 10.631 -8.222 -7.061 1.00 0.00 N ATOM 1420 CA SER A 90 10.022 -9.152 -6.117 1.00 0.00 C ATOM 1421 C SER A 90 8.512 -8.943 -6.046 1.00 0.00 C ATOM 1422 O SER A 90 8.022 -7.822 -6.183 1.00 0.00 O ATOM 1423 CB SER A 90 10.638 -8.977 -4.727 1.00 0.00 C ATOM 1424 OG SER A 90 11.826 -9.739 -4.597 1.00 0.00 O ATOM 0 H SER A 90 10.014 -7.471 -7.371 1.00 0.00 H new ATOM 0 HA SER A 90 10.215 -10.166 -6.468 1.00 0.00 H new ATOM 0 HB2 SER A 90 10.857 -7.924 -4.553 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.920 -9.284 -3.966 1.00 0.00 H new ATOM 0 HG SER A 90 12.329 -9.707 -5.438 1.00 0.00 H new ATOM 1430 N ARG A 91 7.780 -10.031 -5.830 1.00 0.00 N ATOM 1431 CA ARG A 91 6.326 -9.969 -5.743 1.00 0.00 C ATOM 1432 C ARG A 91 5.850 -10.350 -4.344 1.00 0.00 C ATOM 1433 O ARG A 91 6.632 -10.818 -3.515 1.00 0.00 O ATOM 1434 CB ARG A 91 5.691 -10.897 -6.780 1.00 0.00 C ATOM 1435 CG ARG A 91 6.253 -10.719 -8.181 1.00 0.00 C ATOM 1436 CD ARG A 91 5.772 -11.817 -9.117 1.00 0.00 C ATOM 1437 NE ARG A 91 6.652 -12.983 -9.091 1.00 0.00 N ATOM 1438 CZ ARG A 91 6.727 -13.869 -10.077 1.00 0.00 C ATOM 1439 NH1 ARG A 91 5.979 -13.724 -11.162 1.00 0.00 N ATOM 1440 NH2 ARG A 91 7.553 -14.904 -9.980 1.00 0.00 N ATOM 0 H ARG A 91 8.170 -10.966 -5.712 1.00 0.00 H new ATOM 0 HA ARG A 91 6.018 -8.944 -5.947 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.837 -11.931 -6.468 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.616 -10.720 -6.804 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.954 -9.747 -8.574 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.342 -10.725 -8.141 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.763 -12.118 -8.835 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.716 -11.428 -10.134 1.00 0.00 H new ATOM 0 HE ARG A 91 7.241 -13.124 -8.270 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.344 -12.930 -11.241 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.039 -14.406 -11.918 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.131 -15.019 -9.147 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.610 -15.584 -10.738 1.00 0.00 H new ATOM 1454 N LEU A 92 4.562 -10.146 -4.088 1.00 0.00 N ATOM 1455 CA LEU A 92 3.980 -10.468 -2.789 1.00 0.00 C ATOM 1456 C LEU A 92 2.686 -11.258 -2.953 1.00 0.00 C ATOM 1457 O LEU A 92 1.641 -10.697 -3.281 1.00 0.00 O ATOM 1458 CB LEU A 92 3.713 -9.187 -1.997 1.00 0.00 C ATOM 1459 CG LEU A 92 4.879 -8.657 -1.162 1.00 0.00 C ATOM 1460 CD1 LEU A 92 4.692 -7.178 -0.862 1.00 0.00 C ATOM 1461 CD2 LEU A 92 5.015 -9.452 0.128 1.00 0.00 C ATOM 0 H LEU A 92 3.901 -9.759 -4.762 1.00 0.00 H new ATOM 0 HA LEU A 92 4.693 -11.085 -2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.410 -8.408 -2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.868 -9.365 -1.332 1.00 0.00 H new ATOM 0 HG LEU A 92 5.797 -8.776 -1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.531 -6.818 -0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.645 -6.620 -1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.765 -7.034 -0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.850 -9.061 0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.096 -9.365 0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.197 -10.500 -0.108 1.00 0.00 H new ATOM 1473 N HIS A 93 2.763 -12.565 -2.719 1.00 0.00 N ATOM 1474 CA HIS A 93 1.597 -13.432 -2.838 1.00 0.00 C ATOM 1475 C HIS A 93 0.709 -13.321 -1.602 1.00 0.00 C ATOM 1476 O HIS A 93 0.961 -13.967 -0.584 1.00 0.00 O ATOM 1477 CB HIS A 93 2.033 -14.884 -3.038 1.00 0.00 C ATOM 1478 CG HIS A 93 2.571 -15.164 -4.407 1.00 0.00 C ATOM 1479 ND1 HIS A 93 3.489 -14.350 -5.037 1.00 0.00 N ATOM 1480 CD2 HIS A 93 2.317 -16.177 -5.268 1.00 0.00 C ATOM 1481 CE1 HIS A 93 3.775 -14.849 -6.226 1.00 0.00 C ATOM 1482 NE2 HIS A 93 3.077 -15.958 -6.391 1.00 0.00 N ATOM 0 H HIS A 93 3.620 -13.046 -2.446 1.00 0.00 H new ATOM 0 HA HIS A 93 1.023 -13.110 -3.707 1.00 0.00 H new ATOM 0 HB2 HIS A 93 2.796 -15.131 -2.299 1.00 0.00 H new ATOM 0 HB3 HIS A 93 1.183 -15.539 -2.850 1.00 0.00 H new ATOM 0 HD2 HIS A 93 1.642 -17.004 -5.103 1.00 0.00 H new ATOM 0 HE1 HIS A 93 4.463 -14.423 -6.941 1.00 0.00 H new ATOM 0 HE2 HIS A 93 3.099 -16.555 -7.218 1.00 0.00 H new ATOM 1491 N LEU A 94 -0.330 -12.499 -1.698 1.00 0.00 N ATOM 1492 CA LEU A 94 -1.255 -12.302 -0.588 1.00 0.00 C ATOM 1493 C LEU A 94 -2.645 -12.823 -0.938 1.00 0.00 C ATOM 1494 O LEU A 94 -2.950 -13.069 -2.106 1.00 0.00 O ATOM 1495 CB LEU A 94 -1.332 -10.820 -0.218 1.00 0.00 C ATOM 1496 CG LEU A 94 0.005 -10.114 0.007 1.00 0.00 C ATOM 1497 CD1 LEU A 94 -0.208 -8.625 0.229 1.00 0.00 C ATOM 1498 CD2 LEU A 94 0.741 -10.731 1.188 1.00 0.00 C ATOM 0 H LEU A 94 -0.553 -11.958 -2.533 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.881 -12.864 0.267 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.868 -10.296 -1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.928 -10.723 0.689 1.00 0.00 H new ATOM 0 HG LEU A 94 0.617 -10.243 -0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.755 -8.139 0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.693 -8.192 -0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.839 -8.474 1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.691 -10.216 1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.133 -10.633 2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.927 -11.787 0.990 1.00 0.00 H new ATOM 1510 N CYS A 95 -3.484 -12.987 0.079 1.00 0.00 N ATOM 1511 CA CYS A 95 -4.843 -13.478 -0.122 1.00 0.00 C ATOM 1512 C CYS A 95 -5.797 -12.871 0.901 1.00 0.00 C ATOM 1513 O CYS A 95 -5.606 -13.022 2.108 1.00 0.00 O ATOM 1514 CB CYS A 95 -4.876 -15.004 -0.027 1.00 0.00 C ATOM 1515 SG CYS A 95 -6.539 -15.700 0.106 1.00 0.00 S ATOM 0 H CYS A 95 -3.247 -12.787 1.051 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.168 -13.177 -1.118 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.388 -15.423 -0.907 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.293 -15.316 0.839 1.00 0.00 H new ATOM 0 HG CYS A 95 -7.351 -14.798 0.572 1.00 0.00 H new ATOM 1521 N ALA A 96 -6.823 -12.184 0.412 1.00 0.00 N ATOM 1522 CA ALA A 96 -7.807 -11.555 1.284 1.00 0.00 C ATOM 1523 C ALA A 96 -8.936 -12.522 1.626 1.00 0.00 C ATOM 1524 O ALA A 96 -8.977 -13.644 1.122 1.00 0.00 O ATOM 1525 CB ALA A 96 -8.366 -10.300 0.630 1.00 0.00 C ATOM 0 H ALA A 96 -6.995 -12.049 -0.584 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.308 -11.277 2.212 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.100 -9.841 1.292 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.556 -9.596 0.442 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.844 -10.563 -0.314 1.00 0.00 H new ATOM 1531 N GLU A 97 -9.848 -12.080 2.486 1.00 0.00 N ATOM 1532 CA GLU A 97 -10.976 -12.908 2.896 1.00 0.00 C ATOM 1533 C GLU A 97 -12.169 -12.701 1.967 1.00 0.00 C ATOM 1534 O GLU A 97 -12.958 -13.618 1.735 1.00 0.00 O ATOM 1535 CB GLU A 97 -11.375 -12.588 4.337 1.00 0.00 C ATOM 1536 CG GLU A 97 -11.916 -11.179 4.520 1.00 0.00 C ATOM 1537 CD GLU A 97 -10.830 -10.178 4.862 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -10.250 -9.589 3.926 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -10.560 -9.983 6.065 1.00 0.00 O ATOM 0 H GLU A 97 -9.828 -11.154 2.912 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.668 -13.952 2.836 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -12.130 -13.303 4.664 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -10.508 -12.722 4.984 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -12.419 -10.865 3.605 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -12.665 -11.181 5.312 1.00 0.00 H new ATOM 1546 N THR A 98 -12.296 -11.487 1.439 1.00 0.00 N ATOM 1547 CA THR A 98 -13.393 -11.158 0.538 1.00 0.00 C ATOM 1548 C THR A 98 -12.904 -10.328 -0.644 1.00 0.00 C ATOM 1549 O THR A 98 -11.836 -9.717 -0.585 1.00 0.00 O ATOM 1550 CB THR A 98 -14.507 -10.384 1.268 1.00 0.00 C ATOM 1551 OG1 THR A 98 -13.994 -9.144 1.770 1.00 0.00 O ATOM 1552 CG2 THR A 98 -15.074 -11.205 2.416 1.00 0.00 C ATOM 0 H THR A 98 -11.653 -10.716 1.620 1.00 0.00 H new ATOM 0 HA THR A 98 -13.796 -12.103 0.173 1.00 0.00 H new ATOM 0 HB THR A 98 -15.307 -10.184 0.555 1.00 0.00 H new ATOM 0 HG1 THR A 98 -14.709 -8.657 2.231 1.00 0.00 H new ATOM 0 HG21 THR A 98 -15.859 -10.638 2.916 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.490 -12.135 2.028 1.00 0.00 H new ATOM 0 HG23 THR A 98 -14.280 -11.432 3.128 1.00 0.00 H new ATOM 1560 N ARG A 99 -13.691 -10.309 -1.714 1.00 0.00 N ATOM 1561 CA ARG A 99 -13.336 -9.554 -2.910 1.00 0.00 C ATOM 1562 C ARG A 99 -13.246 -8.061 -2.603 1.00 0.00 C ATOM 1563 O ARG A 99 -12.345 -7.373 -3.082 1.00 0.00 O ATOM 1564 CB ARG A 99 -14.365 -9.797 -4.016 1.00 0.00 C ATOM 1565 CG ARG A 99 -15.772 -9.358 -3.646 1.00 0.00 C ATOM 1566 CD ARG A 99 -16.750 -9.605 -4.784 1.00 0.00 C ATOM 1567 NE ARG A 99 -16.526 -8.697 -5.906 1.00 0.00 N ATOM 1568 CZ ARG A 99 -17.305 -8.651 -6.981 1.00 0.00 C ATOM 1569 NH1 ARG A 99 -18.353 -9.457 -7.080 1.00 0.00 N ATOM 1570 NH2 ARG A 99 -17.037 -7.796 -7.960 1.00 0.00 N ATOM 0 H ARG A 99 -14.579 -10.808 -1.778 1.00 0.00 H new ATOM 0 HA ARG A 99 -12.359 -9.897 -3.250 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -14.052 -9.265 -4.915 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -14.378 -10.859 -4.262 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -16.101 -9.898 -2.758 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -15.769 -8.298 -3.391 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -16.654 -10.635 -5.127 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -17.770 -9.484 -4.418 1.00 0.00 H new ATOM 0 HE ARG A 99 -15.728 -8.064 -5.862 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -18.563 -10.115 -6.329 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -18.949 -9.419 -7.907 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -16.232 -7.173 -7.887 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -17.636 -7.761 -8.785 1.00 0.00 H new ATOM 1584 N ASP A 100 -14.186 -7.569 -1.804 1.00 0.00 N ATOM 1585 CA ASP A 100 -14.213 -6.159 -1.433 1.00 0.00 C ATOM 1586 C ASP A 100 -12.888 -5.737 -0.805 1.00 0.00 C ATOM 1587 O ASP A 100 -12.264 -4.769 -1.240 1.00 0.00 O ATOM 1588 CB ASP A 100 -15.362 -5.887 -0.461 1.00 0.00 C ATOM 1589 CG ASP A 100 -15.803 -4.437 -0.476 1.00 0.00 C ATOM 1590 OD1 ASP A 100 -15.054 -3.584 0.044 1.00 0.00 O ATOM 1591 OD2 ASP A 100 -16.897 -4.155 -1.008 1.00 0.00 O ATOM 0 H ASP A 100 -14.940 -8.126 -1.401 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.368 -5.573 -2.339 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -16.209 -6.524 -0.717 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -15.052 -6.159 0.548 1.00 0.00 H new ATOM 1596 N ASP A 101 -12.466 -6.469 0.220 1.00 0.00 N ATOM 1597 CA ASP A 101 -11.216 -6.171 0.909 1.00 0.00 C ATOM 1598 C ASP A 101 -10.044 -6.170 -0.069 1.00 0.00 C ATOM 1599 O ASP A 101 -9.212 -5.263 -0.054 1.00 0.00 O ATOM 1600 CB ASP A 101 -10.966 -7.189 2.022 1.00 0.00 C ATOM 1601 CG ASP A 101 -11.655 -6.810 3.318 1.00 0.00 C ATOM 1602 OD1 ASP A 101 -12.883 -7.017 3.420 1.00 0.00 O ATOM 1603 OD2 ASP A 101 -10.967 -6.309 4.231 1.00 0.00 O ATOM 0 H ASP A 101 -12.971 -7.273 0.592 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.301 -5.177 1.349 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -11.318 -8.169 1.700 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.894 -7.277 2.196 1.00 0.00 H new ATOM 1608 N ALA A 102 -9.986 -7.192 -0.916 1.00 0.00 N ATOM 1609 CA ALA A 102 -8.918 -7.309 -1.900 1.00 0.00 C ATOM 1610 C ALA A 102 -8.808 -6.043 -2.744 1.00 0.00 C ATOM 1611 O ALA A 102 -7.753 -5.411 -2.797 1.00 0.00 O ATOM 1612 CB ALA A 102 -9.150 -8.520 -2.791 1.00 0.00 C ATOM 0 H ALA A 102 -10.667 -7.951 -0.940 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.978 -7.441 -1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.344 -8.594 -3.521 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.171 -9.423 -2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.102 -8.412 -3.311 1.00 0.00 H new ATOM 1618 N ILE A 103 -9.904 -5.679 -3.402 1.00 0.00 N ATOM 1619 CA ILE A 103 -9.930 -4.489 -4.243 1.00 0.00 C ATOM 1620 C ILE A 103 -9.362 -3.282 -3.504 1.00 0.00 C ATOM 1621 O ILE A 103 -8.557 -2.529 -4.050 1.00 0.00 O ATOM 1622 CB ILE A 103 -11.359 -4.163 -4.713 1.00 0.00 C ATOM 1623 CG1 ILE A 103 -11.956 -5.354 -5.466 1.00 0.00 C ATOM 1624 CG2 ILE A 103 -11.358 -2.921 -5.592 1.00 0.00 C ATOM 1625 CD1 ILE A 103 -13.465 -5.318 -5.555 1.00 0.00 C ATOM 0 H ILE A 103 -10.785 -6.191 -3.369 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.311 -4.704 -5.114 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.977 -3.964 -3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.541 -5.381 -6.474 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -11.651 -6.276 -4.971 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -12.376 -2.704 -5.916 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.969 -2.075 -5.026 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.728 -3.093 -6.465 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.818 -6.192 -6.102 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.889 -5.322 -4.551 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.777 -4.413 -6.077 1.00 0.00 H new ATOM 1637 N ALA A 104 -9.787 -3.105 -2.257 1.00 0.00 N ATOM 1638 CA ALA A 104 -9.318 -1.992 -1.441 1.00 0.00 C ATOM 1639 C ALA A 104 -7.799 -1.870 -1.498 1.00 0.00 C ATOM 1640 O ALA A 104 -7.264 -0.810 -1.822 1.00 0.00 O ATOM 1641 CB ALA A 104 -9.782 -2.160 -0.002 1.00 0.00 C ATOM 0 H ALA A 104 -10.455 -3.718 -1.790 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.745 -1.074 -1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.424 -1.322 0.596 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.871 -2.189 0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.383 -3.090 0.403 1.00 0.00 H new ATOM 1647 N TRP A 105 -7.111 -2.961 -1.181 1.00 0.00 N ATOM 1648 CA TRP A 105 -5.653 -2.975 -1.196 1.00 0.00 C ATOM 1649 C TRP A 105 -5.118 -2.564 -2.564 1.00 0.00 C ATOM 1650 O TRP A 105 -4.197 -1.753 -2.663 1.00 0.00 O ATOM 1651 CB TRP A 105 -5.132 -4.366 -0.829 1.00 0.00 C ATOM 1652 CG TRP A 105 -4.960 -4.565 0.647 1.00 0.00 C ATOM 1653 CD1 TRP A 105 -5.596 -5.486 1.429 1.00 0.00 C ATOM 1654 CD2 TRP A 105 -4.096 -3.825 1.516 1.00 0.00 C ATOM 1655 NE1 TRP A 105 -5.180 -5.363 2.733 1.00 0.00 N ATOM 1656 CE2 TRP A 105 -4.259 -4.352 2.812 1.00 0.00 C ATOM 1657 CE3 TRP A 105 -3.200 -2.770 1.326 1.00 0.00 C ATOM 1658 CZ2 TRP A 105 -3.560 -3.858 3.910 1.00 0.00 C ATOM 1659 CZ3 TRP A 105 -2.506 -2.281 2.416 1.00 0.00 C ATOM 1660 CH2 TRP A 105 -2.688 -2.824 3.695 1.00 0.00 C ATOM 0 H TRP A 105 -7.539 -3.847 -0.911 1.00 0.00 H new ATOM 0 HA TRP A 105 -5.300 -2.255 -0.457 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -5.822 -5.118 -1.212 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.175 -4.530 -1.325 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.320 -6.205 1.075 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -5.504 -5.932 3.515 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -3.052 -2.344 0.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -3.700 -4.275 4.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -1.811 -1.466 2.280 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -2.130 -2.420 4.527 1.00 0.00 H new ATOM 1671 N LYS A 106 -5.702 -3.127 -3.616 1.00 0.00 N ATOM 1672 CA LYS A 106 -5.286 -2.817 -4.979 1.00 0.00 C ATOM 1673 C LYS A 106 -5.292 -1.311 -5.221 1.00 0.00 C ATOM 1674 O LYS A 106 -4.337 -0.755 -5.765 1.00 0.00 O ATOM 1675 CB LYS A 106 -6.207 -3.510 -5.985 1.00 0.00 C ATOM 1676 CG LYS A 106 -5.682 -3.482 -7.410 1.00 0.00 C ATOM 1677 CD LYS A 106 -6.616 -4.210 -8.363 1.00 0.00 C ATOM 1678 CE LYS A 106 -5.950 -4.471 -9.705 1.00 0.00 C ATOM 1679 NZ LYS A 106 -6.945 -4.792 -10.765 1.00 0.00 N ATOM 0 H LYS A 106 -6.465 -3.801 -3.551 1.00 0.00 H new ATOM 0 HA LYS A 106 -4.269 -3.184 -5.114 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -6.350 -4.547 -5.680 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -7.186 -3.032 -5.958 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -5.563 -2.448 -7.735 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -4.695 -3.943 -7.444 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -6.925 -5.156 -7.919 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -7.519 -3.618 -8.513 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -5.374 -3.594 -10.001 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -5.245 -5.297 -9.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.451 -4.963 -11.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.478 -5.643 -10.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.602 -3.994 -10.878 1.00 0.00 H new ATOM 1693 N THR A 107 -6.374 -0.655 -4.813 1.00 0.00 N ATOM 1694 CA THR A 107 -6.504 0.786 -4.985 1.00 0.00 C ATOM 1695 C THR A 107 -5.584 1.539 -4.032 1.00 0.00 C ATOM 1696 O THR A 107 -4.991 2.554 -4.398 1.00 0.00 O ATOM 1697 CB THR A 107 -7.955 1.251 -4.755 1.00 0.00 C ATOM 1698 OG1 THR A 107 -8.846 0.506 -5.592 1.00 0.00 O ATOM 1699 CG2 THR A 107 -8.100 2.736 -5.047 1.00 0.00 C ATOM 0 H THR A 107 -7.173 -1.099 -4.361 1.00 0.00 H new ATOM 0 HA THR A 107 -6.218 1.008 -6.013 1.00 0.00 H new ATOM 0 HB THR A 107 -8.208 1.076 -3.709 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.766 0.806 -5.439 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.133 3.041 -4.878 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.442 3.302 -4.388 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.830 2.931 -6.085 1.00 0.00 H new ATOM 1707 N ALA A 108 -5.469 1.036 -2.807 1.00 0.00 N ATOM 1708 CA ALA A 108 -4.618 1.660 -1.802 1.00 0.00 C ATOM 1709 C ALA A 108 -3.153 1.626 -2.224 1.00 0.00 C ATOM 1710 O ALA A 108 -2.377 2.521 -1.886 1.00 0.00 O ATOM 1711 CB ALA A 108 -4.797 0.971 -0.457 1.00 0.00 C ATOM 0 H ALA A 108 -5.955 0.198 -2.487 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.917 2.704 -1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.155 1.447 0.284 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.837 1.052 -0.142 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -4.527 -0.081 -0.548 1.00 0.00 H new ATOM 1717 N LEU A 109 -2.780 0.588 -2.964 1.00 0.00 N ATOM 1718 CA LEU A 109 -1.406 0.437 -3.433 1.00 0.00 C ATOM 1719 C LEU A 109 -1.208 1.136 -4.774 1.00 0.00 C ATOM 1720 O LEU A 109 -0.246 1.880 -4.960 1.00 0.00 O ATOM 1721 CB LEU A 109 -1.051 -1.046 -3.560 1.00 0.00 C ATOM 1722 CG LEU A 109 -0.957 -1.829 -2.250 1.00 0.00 C ATOM 1723 CD1 LEU A 109 -1.013 -3.325 -2.518 1.00 0.00 C ATOM 1724 CD2 LEU A 109 0.318 -1.466 -1.502 1.00 0.00 C ATOM 0 H LEU A 109 -3.409 -0.162 -3.252 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.745 0.902 -2.702 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.798 -1.525 -4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.095 -1.127 -4.078 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.809 -1.560 -1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.945 -3.866 -1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.954 -3.571 -3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.181 -3.611 -3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.368 -2.033 -0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.183 -1.706 -2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.317 -0.399 -1.277 1.00 0.00 H new ATOM 1736 N MET A 110 -2.127 0.893 -5.703 1.00 0.00 N ATOM 1737 CA MET A 110 -2.054 1.503 -7.026 1.00 0.00 C ATOM 1738 C MET A 110 -1.999 3.024 -6.921 1.00 0.00 C ATOM 1739 O MET A 110 -1.285 3.681 -7.677 1.00 0.00 O ATOM 1740 CB MET A 110 -3.258 1.082 -7.872 1.00 0.00 C ATOM 1741 CG MET A 110 -3.096 -0.283 -8.521 1.00 0.00 C ATOM 1742 SD MET A 110 -2.226 -0.203 -10.099 1.00 0.00 S ATOM 1743 CE MET A 110 -0.782 -1.200 -9.740 1.00 0.00 C ATOM 0 H MET A 110 -2.930 0.279 -5.565 1.00 0.00 H new ATOM 0 HA MET A 110 -1.140 1.156 -7.509 1.00 0.00 H new ATOM 0 HB2 MET A 110 -4.148 1.073 -7.243 1.00 0.00 H new ATOM 0 HB3 MET A 110 -3.424 1.828 -8.649 1.00 0.00 H new ATOM 0 HG2 MET A 110 -2.552 -0.941 -7.843 1.00 0.00 H new ATOM 0 HG3 MET A 110 -4.080 -0.727 -8.675 1.00 0.00 H new ATOM 0 HE1 MET A 110 -0.143 -1.246 -10.622 1.00 0.00 H new ATOM 0 HE2 MET A 110 -0.228 -0.754 -8.914 1.00 0.00 H new ATOM 0 HE3 MET A 110 -1.095 -2.207 -9.465 1.00 0.00 H new ATOM 1753 N GLU A 111 -2.758 3.576 -5.979 1.00 0.00 N ATOM 1754 CA GLU A 111 -2.796 5.020 -5.778 1.00 0.00 C ATOM 1755 C GLU A 111 -1.446 5.536 -5.288 1.00 0.00 C ATOM 1756 O GLU A 111 -0.795 6.336 -5.959 1.00 0.00 O ATOM 1757 CB GLU A 111 -3.890 5.389 -4.774 1.00 0.00 C ATOM 1758 CG GLU A 111 -5.244 5.644 -5.416 1.00 0.00 C ATOM 1759 CD GLU A 111 -6.316 5.982 -4.399 1.00 0.00 C ATOM 1760 OE1 GLU A 111 -6.584 5.140 -3.516 1.00 0.00 O ATOM 1761 OE2 GLU A 111 -6.889 7.089 -4.485 1.00 0.00 O ATOM 0 H GLU A 111 -3.354 3.046 -5.344 1.00 0.00 H new ATOM 0 HA GLU A 111 -3.019 5.489 -6.736 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.989 4.585 -4.045 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.583 6.280 -4.226 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.155 6.462 -6.130 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.547 4.761 -5.979 1.00 0.00 H new ATOM 1768 N ALA A 112 -1.032 5.071 -4.114 1.00 0.00 N ATOM 1769 CA ALA A 112 0.240 5.484 -3.535 1.00 0.00 C ATOM 1770 C ALA A 112 1.383 5.289 -4.525 1.00 0.00 C ATOM 1771 O ALA A 112 2.260 6.143 -4.651 1.00 0.00 O ATOM 1772 CB ALA A 112 0.512 4.710 -2.253 1.00 0.00 C ATOM 0 H ALA A 112 -1.559 4.408 -3.545 1.00 0.00 H new ATOM 0 HA ALA A 112 0.176 6.546 -3.299 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.465 5.028 -1.831 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.285 4.903 -1.535 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.551 3.643 -2.473 1.00 0.00 H new ATOM 1778 N ASN A 113 1.368 4.160 -5.225 1.00 0.00 N ATOM 1779 CA ASN A 113 2.404 3.852 -6.204 1.00 0.00 C ATOM 1780 C ASN A 113 2.462 4.923 -7.289 1.00 0.00 C ATOM 1781 O ASN A 113 3.531 5.226 -7.820 1.00 0.00 O ATOM 1782 CB ASN A 113 2.149 2.483 -6.836 1.00 0.00 C ATOM 1783 CG ASN A 113 2.664 2.398 -8.260 1.00 0.00 C ATOM 1784 OD1 ASN A 113 3.869 2.458 -8.500 1.00 0.00 O ATOM 1785 ND2 ASN A 113 1.749 2.258 -9.212 1.00 0.00 N ATOM 0 H ASN A 113 0.649 3.442 -5.133 1.00 0.00 H new ATOM 0 HA ASN A 113 3.363 3.831 -5.686 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.629 1.712 -6.233 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.079 2.275 -6.827 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.035 2.196 -10.189 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.760 2.213 -8.966 1.00 0.00 H new ATOM 1792 N SER A 114 1.306 5.492 -7.613 1.00 0.00 N ATOM 1793 CA SER A 114 1.224 6.527 -8.638 1.00 0.00 C ATOM 1794 C SER A 114 0.636 7.813 -8.065 1.00 0.00 C ATOM 1795 O SER A 114 -0.222 8.447 -8.680 1.00 0.00 O ATOM 1796 CB SER A 114 0.373 6.044 -9.814 1.00 0.00 C ATOM 1797 OG SER A 114 1.044 5.036 -10.549 1.00 0.00 O ATOM 0 H SER A 114 0.413 5.254 -7.181 1.00 0.00 H new ATOM 0 HA SER A 114 2.234 6.735 -8.991 1.00 0.00 H new ATOM 0 HB2 SER A 114 -0.577 5.658 -9.445 1.00 0.00 H new ATOM 0 HB3 SER A 114 0.143 6.884 -10.469 1.00 0.00 H new ATOM 0 HG SER A 114 0.479 4.743 -11.294 1.00 0.00 H new ATOM 1803 N THR A 115 1.105 8.195 -6.880 1.00 0.00 N ATOM 1804 CA THR A 115 0.627 9.404 -6.222 1.00 0.00 C ATOM 1805 C THR A 115 1.541 9.800 -5.068 1.00 0.00 C ATOM 1806 O THR A 115 1.616 9.121 -4.043 1.00 0.00 O ATOM 1807 CB THR A 115 -0.807 9.223 -5.688 1.00 0.00 C ATOM 1808 OG1 THR A 115 -1.695 8.911 -6.767 1.00 0.00 O ATOM 1809 CG2 THR A 115 -1.283 10.483 -4.980 1.00 0.00 C ATOM 0 H THR A 115 1.816 7.683 -6.357 1.00 0.00 H new ATOM 0 HA THR A 115 0.630 10.195 -6.972 1.00 0.00 H new ATOM 0 HB THR A 115 -0.804 8.402 -4.971 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.271 9.148 -7.618 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.298 10.332 -4.611 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.621 10.701 -4.142 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.272 11.319 -5.679 1.00 0.00 H new ATOM 1817 N PRO A 116 2.252 10.924 -5.234 1.00 0.00 N ATOM 1818 CA PRO A 116 3.173 11.436 -4.215 1.00 0.00 C ATOM 1819 C PRO A 116 2.442 11.965 -2.986 1.00 0.00 C ATOM 1820 O PRO A 116 1.224 12.142 -3.005 1.00 0.00 O ATOM 1821 CB PRO A 116 3.901 12.575 -4.935 1.00 0.00 C ATOM 1822 CG PRO A 116 2.955 13.017 -5.998 1.00 0.00 C ATOM 1823 CD PRO A 116 2.212 11.783 -6.430 1.00 0.00 C ATOM 0 HA PRO A 116 3.837 10.658 -3.838 1.00 0.00 H new ATOM 0 HB2 PRO A 116 4.136 13.390 -4.250 1.00 0.00 H new ATOM 0 HB3 PRO A 116 4.845 12.235 -5.361 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.268 13.774 -5.619 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.490 13.464 -6.836 1.00 0.00 H new ATOM 0 HD2 PRO A 116 1.188 12.013 -6.725 1.00 0.00 H new ATOM 0 HD3 PRO A 116 2.690 11.304 -7.285 1.00 0.00 H new