USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 760 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 28 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 39 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 3 HIS : no HD1:sc= 0.874 K(o=0.87,f=-4.3!) USER MOD Single : A 4 SER OG : rot -28:sc= 0.613 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.327 F(o=-5.8!,f=-0.33) USER MOD Single : A 23 SER OG : rot 180:sc= 0.0103 USER MOD Single : A 31 SER OG : rot -63:sc= 1.67 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00197 USER MOD Single : A 36 LYS NZ :NH3+ 175:sc= 1.34 (180deg=1.04) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 43 SER OG : rot -96:sc= -0.156 USER MOD Single : A 44 THR OG1 : rot -11:sc= 1.04 USER MOD Single : A 47 LYS NZ :NH3+ 158:sc= 0.761 (180deg=-0.0659) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.0261 F(o=-1.6!,f=-0.026) USER MOD Single : A 51 THR OG1 : rot -7:sc= -1.55! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -103:sc= -0.117 USER MOD Single : A 57 LYS NZ :NH3+ -171:sc= -0.0258 (180deg=-0.15) USER MOD Single : A 58 MET CE :methyl -162:sc= 0 (180deg=-0.108) USER MOD Single : A 59 MET CE :methyl -156:sc= -0.317 (180deg=-1.19) USER MOD Single : A 65 LYS NZ :NH3+ 145:sc= 0.887 (180deg=0.482) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.442 F(o=-1.7,f=-0.44) USER MOD Single : A 87 HIS : no HD1:sc= -0.335 X(o=-0.34,f=0) USER MOD Single : A 88 MET CE :methyl -109:sc= -2.78 (180deg=-7.3!) USER MOD Single : A 90 SER OG : rot -86:sc= 0.21 USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 93 ASN : amide:sc= -1.96! C(o=-2!,f=-15!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -160:sc= -4.42! (180deg=-5.61!) USER MOD Single : A 99 ASN : amide:sc= -6.16! C(o=-6.2!,f=-8.7!) USER MOD Single : A 101 LYS NZ :NH3+ 171:sc= 1.24 (180deg=1.21) USER MOD Single : A 102 MET CE :methyl -161:sc= -0.134 (180deg=-0.661) USER MOD Single : A 103 THR OG1 : rot 84:sc= 1.25 USER MOD Single : A 105 GLN : amide:sc= -1.23 X(o=-1.2,f=-0.75) USER MOD Single : A 106 GLN : amide:sc= 1.06 K(o=1.1,f=-0.0022) USER MOD Single : A 109 SER OG : rot 82:sc= 0.112 USER MOD Single : A 111 TYR OH : rot 180:sc= -0.0668 USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 14.164 -2.571 2.662 1.00 0.35 N ATOM 29 CA HIS A 3 13.846 -1.285 2.073 1.00 0.24 C ATOM 30 C HIS A 3 13.865 -1.352 0.551 1.00 0.16 C ATOM 31 O HIS A 3 13.871 -0.326 -0.119 1.00 0.19 O ATOM 32 CB HIS A 3 14.836 -0.219 2.555 1.00 0.32 C ATOM 33 CG HIS A 3 14.645 0.215 3.977 1.00 0.71 C ATOM 34 ND1 HIS A 3 14.837 -0.617 5.062 1.00 1.12 N ATOM 35 CD2 HIS A 3 14.277 1.414 4.488 1.00 1.43 C ATOM 36 CE1 HIS A 3 14.594 0.052 6.174 1.00 1.64 C ATOM 37 NE2 HIS A 3 14.252 1.287 5.854 1.00 1.85 N ATOM 0 HA HIS A 3 12.839 -1.015 2.392 1.00 0.24 H new ATOM 0 HB2 HIS A 3 15.849 -0.605 2.440 1.00 0.32 H new ATOM 0 HB3 HIS A 3 14.752 0.654 1.908 1.00 0.32 H new ATOM 0 HD2 HIS A 3 14.046 2.306 3.924 1.00 1.43 H new ATOM 0 HE1 HIS A 3 14.663 -0.344 7.176 1.00 1.64 H new ATOM 0 HE2 HIS A 3 14.009 2.025 6.514 1.00 1.85 H new ATOM 46 N SER A 4 13.880 -2.555 0.009 1.00 0.14 N ATOM 47 CA SER A 4 13.871 -2.749 -1.441 1.00 0.13 C ATOM 48 C SER A 4 13.425 -4.171 -1.789 1.00 0.15 C ATOM 49 O SER A 4 13.675 -5.111 -1.033 1.00 0.24 O ATOM 50 CB SER A 4 15.252 -2.488 -2.057 1.00 0.17 C ATOM 51 OG SER A 4 15.822 -1.274 -1.590 1.00 0.95 O ATOM 0 H SER A 4 13.899 -3.421 0.548 1.00 0.14 H new ATOM 0 HA SER A 4 13.165 -2.030 -1.857 1.00 0.13 H new ATOM 0 HB2 SER A 4 15.918 -3.317 -1.818 1.00 0.17 H new ATOM 0 HB3 SER A 4 15.164 -2.453 -3.143 1.00 0.17 H new ATOM 0 HG SER A 4 15.107 -0.646 -1.355 1.00 0.95 H new ATOM 57 N GLY A 5 12.762 -4.310 -2.930 1.00 0.14 N ATOM 58 CA GLY A 5 12.282 -5.599 -3.391 1.00 0.15 C ATOM 59 C GLY A 5 11.540 -5.448 -4.701 1.00 0.15 C ATOM 60 O GLY A 5 10.913 -4.423 -4.929 1.00 0.16 O ATOM 0 H GLY A 5 12.545 -3.535 -3.556 1.00 0.14 H new ATOM 0 HA2 GLY A 5 13.121 -6.283 -3.518 1.00 0.15 H new ATOM 0 HA3 GLY A 5 11.624 -6.038 -2.641 1.00 0.15 H new ATOM 64 N ALA A 6 11.603 -6.445 -5.567 1.00 0.16 N ATOM 65 CA ALA A 6 10.999 -6.327 -6.893 1.00 0.17 C ATOM 66 C ALA A 6 9.488 -6.592 -6.847 1.00 0.21 C ATOM 67 O ALA A 6 9.057 -7.684 -6.472 1.00 0.43 O ATOM 68 CB ALA A 6 11.667 -7.272 -7.874 1.00 0.21 C ATOM 0 H ALA A 6 12.060 -7.338 -5.384 1.00 0.16 H new ATOM 0 HA ALA A 6 11.152 -5.303 -7.232 1.00 0.17 H new ATOM 0 HB1 ALA A 6 11.202 -7.167 -8.854 1.00 0.21 H new ATOM 0 HB2 ALA A 6 12.727 -7.030 -7.948 1.00 0.21 H new ATOM 0 HB3 ALA A 6 11.553 -8.299 -7.526 1.00 0.21 H new ATOM 74 N ALA A 7 8.689 -5.602 -7.248 1.00 0.11 N ATOM 75 CA ALA A 7 7.230 -5.717 -7.183 1.00 0.12 C ATOM 76 C ALA A 7 6.571 -5.390 -8.518 1.00 0.12 C ATOM 77 O ALA A 7 7.154 -4.740 -9.379 1.00 0.13 O ATOM 78 CB ALA A 7 6.658 -4.802 -6.107 1.00 0.12 C ATOM 0 H ALA A 7 9.025 -4.714 -7.620 1.00 0.11 H new ATOM 0 HA ALA A 7 7.011 -6.755 -6.934 1.00 0.12 H new ATOM 0 HB1 ALA A 7 5.573 -4.906 -6.079 1.00 0.12 H new ATOM 0 HB2 ALA A 7 7.074 -5.076 -5.137 1.00 0.12 H new ATOM 0 HB3 ALA A 7 6.917 -3.768 -6.333 1.00 0.12 H new ATOM 84 N ILE A 8 5.341 -5.849 -8.665 1.00 0.15 N ATOM 85 CA ILE A 8 4.526 -5.592 -9.843 1.00 0.19 C ATOM 86 C ILE A 8 3.534 -4.480 -9.538 1.00 0.22 C ATOM 87 O ILE A 8 2.791 -4.549 -8.555 1.00 0.26 O ATOM 88 CB ILE A 8 3.745 -6.862 -10.286 1.00 0.23 C ATOM 89 CG1 ILE A 8 4.672 -7.958 -10.838 1.00 0.26 C ATOM 90 CG2 ILE A 8 2.690 -6.504 -11.319 1.00 0.29 C ATOM 91 CD1 ILE A 8 5.537 -8.638 -9.798 1.00 0.25 C ATOM 0 H ILE A 8 4.872 -6.419 -7.961 1.00 0.15 H new ATOM 0 HA ILE A 8 5.191 -5.299 -10.655 1.00 0.19 H new ATOM 0 HB ILE A 8 3.260 -7.263 -9.396 1.00 0.23 H new ATOM 0 HG12 ILE A 8 4.063 -8.713 -11.335 1.00 0.26 H new ATOM 0 HG13 ILE A 8 5.318 -7.519 -11.598 1.00 0.26 H new ATOM 0 HG21 ILE A 8 2.153 -7.404 -11.618 1.00 0.29 H new ATOM 0 HG22 ILE A 8 1.988 -5.789 -10.890 1.00 0.29 H new ATOM 0 HG23 ILE A 8 3.171 -6.062 -12.192 1.00 0.29 H new ATOM 0 HD11 ILE A 8 6.157 -9.395 -10.279 1.00 0.25 H new ATOM 0 HD12 ILE A 8 6.176 -7.898 -9.316 1.00 0.25 H new ATOM 0 HD13 ILE A 8 4.902 -9.111 -9.049 1.00 0.25 H new ATOM 103 N PHE A 9 3.527 -3.463 -10.378 1.00 0.28 N ATOM 104 CA PHE A 9 2.651 -2.326 -10.188 1.00 0.34 C ATOM 105 C PHE A 9 1.826 -2.080 -11.443 1.00 0.46 C ATOM 106 O PHE A 9 2.368 -1.716 -12.475 1.00 0.52 O ATOM 107 CB PHE A 9 3.477 -1.090 -9.829 1.00 0.35 C ATOM 108 CG PHE A 9 2.689 0.184 -9.716 1.00 0.40 C ATOM 109 CD1 PHE A 9 1.875 0.420 -8.622 1.00 0.40 C ATOM 110 CD2 PHE A 9 2.784 1.158 -10.698 1.00 0.50 C ATOM 111 CE1 PHE A 9 1.167 1.601 -8.510 1.00 0.45 C ATOM 112 CE2 PHE A 9 2.076 2.337 -10.593 1.00 0.56 C ATOM 113 CZ PHE A 9 1.269 2.560 -9.498 1.00 0.52 C ATOM 0 H PHE A 9 4.123 -3.402 -11.204 1.00 0.28 H new ATOM 0 HA PHE A 9 1.965 -2.536 -9.368 1.00 0.34 H new ATOM 0 HB2 PHE A 9 3.984 -1.272 -8.882 1.00 0.35 H new ATOM 0 HB3 PHE A 9 4.251 -0.956 -10.584 1.00 0.35 H new ATOM 0 HD1 PHE A 9 1.792 -0.328 -7.847 1.00 0.40 H new ATOM 0 HD2 PHE A 9 3.420 0.992 -11.555 1.00 0.50 H new ATOM 0 HE1 PHE A 9 0.535 1.774 -7.651 1.00 0.45 H new ATOM 0 HE2 PHE A 9 2.154 3.085 -11.368 1.00 0.56 H new ATOM 0 HZ PHE A 9 0.717 3.484 -9.413 1.00 0.52 H new ATOM 123 N GLU A 10 0.520 -2.307 -11.345 1.00 0.58 N ATOM 124 CA GLU A 10 -0.394 -2.137 -12.476 1.00 0.73 C ATOM 125 C GLU A 10 -0.007 -3.053 -13.630 1.00 0.64 C ATOM 126 O GLU A 10 0.088 -2.631 -14.786 1.00 0.67 O ATOM 127 CB GLU A 10 -0.442 -0.682 -12.942 1.00 0.87 C ATOM 128 CG GLU A 10 -0.924 0.280 -11.868 1.00 0.98 C ATOM 129 CD GLU A 10 -1.312 1.638 -12.423 1.00 1.21 C ATOM 130 OE1 GLU A 10 -0.405 2.431 -12.762 1.00 1.25 O ATOM 131 OE2 GLU A 10 -2.524 1.926 -12.523 1.00 1.46 O ATOM 0 H GLU A 10 0.064 -2.613 -10.485 1.00 0.58 H new ATOM 0 HA GLU A 10 -1.392 -2.413 -12.135 1.00 0.73 H new ATOM 0 HB2 GLU A 10 0.553 -0.380 -13.270 1.00 0.87 H new ATOM 0 HB3 GLU A 10 -1.099 -0.607 -13.808 1.00 0.87 H new ATOM 0 HG2 GLU A 10 -1.781 -0.156 -11.355 1.00 0.98 H new ATOM 0 HG3 GLU A 10 -0.139 0.408 -11.123 1.00 0.98 H new ATOM 138 N LYS A 11 0.232 -4.306 -13.275 1.00 0.58 N ATOM 139 CA LYS A 11 0.449 -5.400 -14.222 1.00 0.55 C ATOM 140 C LYS A 11 1.824 -5.362 -14.883 1.00 0.49 C ATOM 141 O LYS A 11 2.140 -6.219 -15.708 1.00 0.56 O ATOM 142 CB LYS A 11 -0.664 -5.451 -15.269 1.00 0.65 C ATOM 143 CG LYS A 11 -2.040 -5.487 -14.634 1.00 0.74 C ATOM 144 CD LYS A 11 -2.242 -6.707 -13.773 1.00 1.29 C ATOM 145 CE LYS A 11 -3.189 -6.411 -12.634 1.00 1.32 C ATOM 146 NZ LYS A 11 -3.190 -7.486 -11.607 1.00 1.91 N ATOM 0 H LYS A 11 0.283 -4.602 -12.300 1.00 0.58 H new ATOM 0 HA LYS A 11 0.418 -6.319 -13.637 1.00 0.55 H new ATOM 0 HB2 LYS A 11 -0.588 -4.581 -15.921 1.00 0.65 H new ATOM 0 HB3 LYS A 11 -0.531 -6.332 -15.897 1.00 0.65 H new ATOM 0 HG2 LYS A 11 -2.182 -4.591 -14.030 1.00 0.74 H new ATOM 0 HG3 LYS A 11 -2.799 -5.468 -15.416 1.00 0.74 H new ATOM 0 HD2 LYS A 11 -2.638 -7.523 -14.378 1.00 1.29 H new ATOM 0 HD3 LYS A 11 -1.283 -7.040 -13.377 1.00 1.29 H new ATOM 0 HE2 LYS A 11 -2.909 -5.466 -12.168 1.00 1.32 H new ATOM 0 HE3 LYS A 11 -4.198 -6.286 -13.027 1.00 1.32 H new ATOM 0 HZ1 LYS A 11 -3.854 -7.239 -10.846 1.00 1.91 H new ATOM 0 HZ2 LYS A 11 -3.483 -8.383 -12.044 1.00 1.91 H new ATOM 0 HZ3 LYS A 11 -2.234 -7.589 -11.212 1.00 1.91 H new ATOM 160 N VAL A 12 2.647 -4.384 -14.530 1.00 0.44 N ATOM 161 CA VAL A 12 4.032 -4.391 -14.976 1.00 0.42 C ATOM 162 C VAL A 12 4.967 -4.761 -13.827 1.00 0.35 C ATOM 163 O VAL A 12 4.849 -4.239 -12.717 1.00 0.30 O ATOM 164 CB VAL A 12 4.479 -3.048 -15.614 1.00 0.47 C ATOM 165 CG1 VAL A 12 3.859 -1.859 -14.907 1.00 0.47 C ATOM 166 CG2 VAL A 12 5.996 -2.937 -15.591 1.00 0.46 C ATOM 0 H VAL A 12 2.386 -3.589 -13.947 1.00 0.44 H new ATOM 0 HA VAL A 12 4.094 -5.148 -15.758 1.00 0.42 H new ATOM 0 HB VAL A 12 4.131 -3.039 -16.647 1.00 0.47 H new ATOM 0 HG11 VAL A 12 4.195 -0.937 -15.382 1.00 0.47 H new ATOM 0 HG12 VAL A 12 2.773 -1.924 -14.970 1.00 0.47 H new ATOM 0 HG13 VAL A 12 4.162 -1.859 -13.860 1.00 0.47 H new ATOM 0 HG21 VAL A 12 6.298 -1.991 -16.041 1.00 0.46 H new ATOM 0 HG22 VAL A 12 6.348 -2.978 -14.560 1.00 0.46 H new ATOM 0 HG23 VAL A 12 6.430 -3.762 -16.155 1.00 0.46 H new ATOM 176 N SER A 13 5.877 -5.682 -14.103 1.00 0.35 N ATOM 177 CA SER A 13 6.855 -6.118 -13.124 1.00 0.30 C ATOM 178 C SER A 13 8.002 -5.118 -13.028 1.00 0.28 C ATOM 179 O SER A 13 8.580 -4.713 -14.039 1.00 0.40 O ATOM 180 CB SER A 13 7.384 -7.509 -13.492 1.00 0.34 C ATOM 181 OG SER A 13 8.356 -7.958 -12.563 1.00 1.02 O ATOM 0 H SER A 13 5.957 -6.145 -15.008 1.00 0.35 H new ATOM 0 HA SER A 13 6.371 -6.174 -12.149 1.00 0.30 H new ATOM 0 HB2 SER A 13 6.556 -8.217 -13.525 1.00 0.34 H new ATOM 0 HB3 SER A 13 7.819 -7.481 -14.491 1.00 0.34 H new ATOM 0 HG SER A 13 8.672 -8.848 -12.825 1.00 1.02 H new ATOM 187 N GLY A 14 8.319 -4.722 -11.808 1.00 0.16 N ATOM 188 CA GLY A 14 9.367 -3.764 -11.582 1.00 0.14 C ATOM 189 C GLY A 14 10.021 -3.948 -10.236 1.00 0.12 C ATOM 190 O GLY A 14 10.032 -5.051 -9.698 1.00 0.14 O ATOM 0 H GLY A 14 7.859 -5.055 -10.961 1.00 0.16 H new ATOM 0 HA2 GLY A 14 10.119 -3.857 -12.366 1.00 0.14 H new ATOM 0 HA3 GLY A 14 8.958 -2.756 -11.651 1.00 0.14 H new ATOM 194 N ILE A 15 10.571 -2.874 -9.692 1.00 0.11 N ATOM 195 CA ILE A 15 11.268 -2.931 -8.424 1.00 0.12 C ATOM 196 C ILE A 15 10.741 -1.874 -7.473 1.00 0.10 C ATOM 197 O ILE A 15 10.234 -0.852 -7.893 1.00 0.08 O ATOM 198 CB ILE A 15 12.787 -2.727 -8.589 1.00 0.15 C ATOM 199 CG1 ILE A 15 13.316 -3.490 -9.800 1.00 0.17 C ATOM 200 CG2 ILE A 15 13.530 -3.161 -7.337 1.00 0.17 C ATOM 201 CD1 ILE A 15 13.332 -4.990 -9.669 1.00 0.19 C ATOM 0 H ILE A 15 10.546 -1.947 -10.116 1.00 0.11 H new ATOM 0 HA ILE A 15 11.089 -3.926 -8.017 1.00 0.12 H new ATOM 0 HB ILE A 15 12.960 -1.663 -8.748 1.00 0.15 H new ATOM 0 HG12 ILE A 15 12.710 -3.226 -10.666 1.00 0.17 H new ATOM 0 HG13 ILE A 15 14.331 -3.150 -10.006 1.00 0.17 H new ATOM 0 HG21 ILE A 15 14.600 -3.008 -7.477 1.00 0.17 H new ATOM 0 HG22 ILE A 15 13.187 -2.571 -6.487 1.00 0.17 H new ATOM 0 HG23 ILE A 15 13.337 -4.217 -7.147 1.00 0.17 H new ATOM 0 HD11 ILE A 15 13.726 -5.431 -10.585 1.00 0.19 H new ATOM 0 HD12 ILE A 15 13.964 -5.275 -8.828 1.00 0.19 H new ATOM 0 HD13 ILE A 15 12.318 -5.351 -9.499 1.00 0.19 H new ATOM 213 N ILE A 16 10.866 -2.139 -6.197 1.00 0.13 N ATOM 214 CA ILE A 16 10.421 -1.233 -5.157 1.00 0.11 C ATOM 215 C ILE A 16 11.589 -0.884 -4.250 1.00 0.12 C ATOM 216 O ILE A 16 12.382 -1.752 -3.886 1.00 0.15 O ATOM 217 CB ILE A 16 9.275 -1.866 -4.333 1.00 0.12 C ATOM 218 CG1 ILE A 16 7.992 -1.081 -4.544 1.00 0.12 C ATOM 219 CG2 ILE A 16 9.604 -1.928 -2.844 1.00 0.13 C ATOM 220 CD1 ILE A 16 6.803 -1.693 -3.842 1.00 0.16 C ATOM 0 H ILE A 16 11.284 -2.999 -5.842 1.00 0.13 H new ATOM 0 HA ILE A 16 10.042 -0.323 -5.623 1.00 0.11 H new ATOM 0 HB ILE A 16 9.146 -2.890 -4.685 1.00 0.12 H new ATOM 0 HG12 ILE A 16 8.133 -0.061 -4.185 1.00 0.12 H new ATOM 0 HG13 ILE A 16 7.783 -1.017 -5.612 1.00 0.12 H new ATOM 0 HG21 ILE A 16 8.771 -2.380 -2.306 1.00 0.13 H new ATOM 0 HG22 ILE A 16 10.501 -2.529 -2.694 1.00 0.13 H new ATOM 0 HG23 ILE A 16 9.776 -0.920 -2.467 1.00 0.13 H new ATOM 0 HD11 ILE A 16 5.917 -1.087 -4.031 1.00 0.16 H new ATOM 0 HD12 ILE A 16 6.638 -2.703 -4.218 1.00 0.16 H new ATOM 0 HD13 ILE A 16 6.994 -1.732 -2.770 1.00 0.16 H new ATOM 232 N ALA A 17 11.730 0.386 -3.936 1.00 0.10 N ATOM 233 CA ALA A 17 12.752 0.815 -3.000 1.00 0.10 C ATOM 234 C ALA A 17 12.222 1.863 -2.028 1.00 0.08 C ATOM 235 O ALA A 17 11.955 2.994 -2.413 1.00 0.08 O ATOM 236 CB ALA A 17 13.969 1.328 -3.746 1.00 0.12 C ATOM 0 H ALA A 17 11.153 1.138 -4.312 1.00 0.10 H new ATOM 0 HA ALA A 17 13.048 -0.051 -2.408 1.00 0.10 H new ATOM 0 HB1 ALA A 17 14.727 1.646 -3.030 1.00 0.12 H new ATOM 0 HB2 ALA A 17 14.373 0.533 -4.373 1.00 0.12 H new ATOM 0 HB3 ALA A 17 13.683 2.174 -4.371 1.00 0.12 H new ATOM 242 N ILE A 18 12.063 1.470 -0.778 1.00 0.08 N ATOM 243 CA ILE A 18 11.735 2.402 0.290 1.00 0.08 C ATOM 244 C ILE A 18 13.023 3.003 0.816 1.00 0.09 C ATOM 245 O ILE A 18 13.944 2.276 1.178 1.00 0.18 O ATOM 246 CB ILE A 18 11.038 1.743 1.494 1.00 0.10 C ATOM 247 CG1 ILE A 18 9.900 0.832 1.044 1.00 0.12 C ATOM 248 CG2 ILE A 18 10.527 2.821 2.451 1.00 0.13 C ATOM 249 CD1 ILE A 18 10.322 -0.599 0.851 1.00 0.12 C ATOM 0 H ILE A 18 12.157 0.501 -0.473 1.00 0.08 H new ATOM 0 HA ILE A 18 11.055 3.136 -0.142 1.00 0.08 H new ATOM 0 HB ILE A 18 11.765 1.122 2.017 1.00 0.10 H new ATOM 0 HG12 ILE A 18 9.100 0.871 1.783 1.00 0.12 H new ATOM 0 HG13 ILE A 18 9.489 1.211 0.108 1.00 0.12 H new ATOM 0 HG21 ILE A 18 10.035 2.349 3.301 1.00 0.13 H new ATOM 0 HG22 ILE A 18 11.366 3.421 2.804 1.00 0.13 H new ATOM 0 HG23 ILE A 18 9.816 3.462 1.930 1.00 0.13 H new ATOM 0 HD11 ILE A 18 9.465 -1.191 0.531 1.00 0.12 H new ATOM 0 HD12 ILE A 18 11.102 -0.649 0.091 1.00 0.12 H new ATOM 0 HD13 ILE A 18 10.706 -0.995 1.791 1.00 0.12 H new ATOM 261 N ASN A 19 13.109 4.305 0.855 1.00 0.13 N ATOM 262 CA ASN A 19 14.296 4.942 1.367 1.00 0.18 C ATOM 263 C ASN A 19 13.922 5.927 2.437 1.00 0.20 C ATOM 264 O ASN A 19 13.005 6.730 2.256 1.00 0.21 O ATOM 265 CB ASN A 19 15.071 5.610 0.220 1.00 0.22 C ATOM 266 CG ASN A 19 14.776 7.087 0.036 1.00 0.43 C ATOM 267 OD1 ASN A 19 15.597 7.931 0.642 1.00 1.12 O flip ATOM 268 ND2 ASN A 19 13.843 7.465 -0.674 1.00 0.29 N flip ATOM 0 H ASN A 19 12.378 4.943 0.541 1.00 0.13 H new ATOM 0 HA ASN A 19 14.951 4.195 1.815 1.00 0.18 H new ATOM 0 HB2 ASN A 19 16.139 5.486 0.399 1.00 0.22 H new ATOM 0 HB3 ASN A 19 14.841 5.088 -0.709 1.00 0.22 H new ATOM 0 HD21 ASN A 19 13.234 6.781 -1.123 1.00 0.29 H new ATOM 0 HD22 ASN A 19 13.680 8.462 -0.813 1.00 0.29 H new ATOM 275 N GLU A 20 14.569 5.847 3.587 1.00 0.24 N ATOM 276 CA GLU A 20 14.481 6.966 4.468 1.00 0.28 C ATOM 277 C GLU A 20 15.866 7.590 4.563 1.00 0.34 C ATOM 278 O GLU A 20 16.648 7.289 5.464 1.00 0.40 O ATOM 279 CB GLU A 20 14.050 6.488 5.858 1.00 0.33 C ATOM 280 CG GLU A 20 12.905 5.494 5.840 1.00 0.33 C ATOM 281 CD GLU A 20 12.821 4.689 7.120 1.00 0.55 C ATOM 282 OE1 GLU A 20 12.507 5.274 8.184 1.00 0.70 O ATOM 283 OE2 GLU A 20 13.065 3.469 7.073 1.00 0.74 O ATOM 0 H GLU A 20 15.129 5.058 3.909 1.00 0.24 H new ATOM 0 HA GLU A 20 13.754 7.689 4.097 1.00 0.28 H new ATOM 0 HB2 GLU A 20 14.906 6.032 6.356 1.00 0.33 H new ATOM 0 HB3 GLU A 20 13.758 7.353 6.454 1.00 0.33 H new ATOM 0 HG2 GLU A 20 11.967 6.027 5.687 1.00 0.33 H new ATOM 0 HG3 GLU A 20 13.028 4.817 4.995 1.00 0.33 H new ATOM 290 N ASP A 21 16.155 8.440 3.599 1.00 0.35 N ATOM 291 CA ASP A 21 17.151 9.493 3.689 1.00 0.41 C ATOM 292 C ASP A 21 16.429 10.789 3.416 1.00 0.41 C ATOM 293 O ASP A 21 16.917 11.895 3.644 1.00 0.46 O ATOM 294 CB ASP A 21 18.272 9.255 2.671 1.00 0.44 C ATOM 295 CG ASP A 21 19.248 10.410 2.584 1.00 0.51 C ATOM 296 OD1 ASP A 21 19.947 10.688 3.581 1.00 0.59 O ATOM 297 OD2 ASP A 21 19.332 11.038 1.508 1.00 0.53 O ATOM 0 H ASP A 21 15.685 8.417 2.694 1.00 0.35 H new ATOM 0 HA ASP A 21 17.621 9.516 4.672 1.00 0.41 H new ATOM 0 HB2 ASP A 21 18.814 8.348 2.941 1.00 0.44 H new ATOM 0 HB3 ASP A 21 17.832 9.083 1.688 1.00 0.44 H new ATOM 302 N VAL A 22 15.217 10.583 2.937 1.00 0.35 N ATOM 303 CA VAL A 22 14.504 11.527 2.106 1.00 0.33 C ATOM 304 C VAL A 22 13.437 12.307 2.878 1.00 0.31 C ATOM 305 O VAL A 22 13.193 12.050 4.061 1.00 0.30 O ATOM 306 CB VAL A 22 13.843 10.668 0.998 1.00 0.30 C ATOM 307 CG1 VAL A 22 12.773 9.767 1.583 1.00 0.25 C ATOM 308 CG2 VAL A 22 13.293 11.457 -0.159 1.00 0.32 C ATOM 0 H VAL A 22 14.689 9.730 3.122 1.00 0.35 H new ATOM 0 HA VAL A 22 15.185 12.281 1.712 1.00 0.33 H new ATOM 0 HB VAL A 22 14.649 10.063 0.583 1.00 0.30 H new ATOM 0 HG11 VAL A 22 12.322 9.173 0.788 1.00 0.25 H new ATOM 0 HG12 VAL A 22 13.221 9.103 2.322 1.00 0.25 H new ATOM 0 HG13 VAL A 22 12.005 10.376 2.060 1.00 0.25 H new ATOM 0 HG21 VAL A 22 12.850 10.776 -0.886 1.00 0.32 H new ATOM 0 HG22 VAL A 22 12.532 12.149 0.202 1.00 0.32 H new ATOM 0 HG23 VAL A 22 14.099 12.018 -0.632 1.00 0.32 H new ATOM 318 N SER A 23 12.838 13.279 2.190 1.00 0.32 N ATOM 319 CA SER A 23 11.608 13.926 2.628 1.00 0.28 C ATOM 320 C SER A 23 10.587 12.818 2.853 1.00 0.18 C ATOM 321 O SER A 23 10.823 11.732 2.347 1.00 0.16 O ATOM 322 CB SER A 23 11.152 14.909 1.557 1.00 0.35 C ATOM 323 OG SER A 23 12.242 15.694 1.101 1.00 1.31 O ATOM 0 H SER A 23 13.198 13.640 1.307 1.00 0.32 H new ATOM 0 HA SER A 23 11.743 14.492 3.549 1.00 0.28 H new ATOM 0 HB2 SER A 23 10.714 14.365 0.720 1.00 0.35 H new ATOM 0 HB3 SER A 23 10.373 15.557 1.959 1.00 0.35 H new ATOM 0 HG SER A 23 11.930 16.318 0.413 1.00 1.31 H new ATOM 329 N PRO A 24 9.423 13.036 3.512 1.00 0.16 N ATOM 330 CA PRO A 24 8.758 11.955 4.268 1.00 0.16 C ATOM 331 C PRO A 24 8.794 10.645 3.500 1.00 0.15 C ATOM 332 O PRO A 24 8.375 10.591 2.341 1.00 0.22 O ATOM 333 CB PRO A 24 7.316 12.464 4.388 1.00 0.21 C ATOM 334 CG PRO A 24 7.219 13.581 3.412 1.00 0.19 C ATOM 335 CD PRO A 24 8.571 14.225 3.448 1.00 0.17 C ATOM 0 HA PRO A 24 9.234 11.750 5.227 1.00 0.16 H new ATOM 0 HB2 PRO A 24 6.599 11.676 4.158 1.00 0.21 H new ATOM 0 HB3 PRO A 24 7.101 12.805 5.401 1.00 0.21 H new ATOM 0 HG2 PRO A 24 6.979 13.216 2.413 1.00 0.19 H new ATOM 0 HG3 PRO A 24 6.436 14.286 3.691 1.00 0.19 H new ATOM 0 HD2 PRO A 24 8.767 14.830 2.563 1.00 0.17 H new ATOM 0 HD3 PRO A 24 8.699 14.875 4.313 1.00 0.17 H new ATOM 343 N ALA A 25 9.276 9.606 4.202 1.00 0.15 N ATOM 344 CA ALA A 25 9.878 8.415 3.584 1.00 0.14 C ATOM 345 C ALA A 25 9.262 8.038 2.262 1.00 0.14 C ATOM 346 O ALA A 25 8.041 8.007 2.108 1.00 0.18 O ATOM 347 CB ALA A 25 9.843 7.227 4.511 1.00 0.20 C ATOM 0 H ALA A 25 9.258 9.570 5.221 1.00 0.15 H new ATOM 0 HA ALA A 25 10.913 8.696 3.390 1.00 0.14 H new ATOM 0 HB1 ALA A 25 10.297 6.367 4.018 1.00 0.20 H new ATOM 0 HB2 ALA A 25 10.398 7.459 5.420 1.00 0.20 H new ATOM 0 HB3 ALA A 25 8.809 6.995 4.766 1.00 0.20 H new ATOM 353 N GLU A 26 10.120 7.684 1.332 1.00 0.14 N ATOM 354 CA GLU A 26 9.703 7.517 -0.027 1.00 0.15 C ATOM 355 C GLU A 26 9.989 6.109 -0.516 1.00 0.11 C ATOM 356 O GLU A 26 11.084 5.578 -0.341 1.00 0.13 O ATOM 357 CB GLU A 26 10.344 8.569 -0.956 1.00 0.27 C ATOM 358 CG GLU A 26 9.588 9.889 -0.983 1.00 0.66 C ATOM 359 CD GLU A 26 10.218 10.915 -1.905 1.00 0.71 C ATOM 360 OE1 GLU A 26 10.545 10.563 -3.058 1.00 1.26 O ATOM 361 OE2 GLU A 26 10.392 12.081 -1.487 1.00 1.14 O ATOM 0 H GLU A 26 11.111 7.508 1.500 1.00 0.14 H new ATOM 0 HA GLU A 26 8.625 7.673 -0.057 1.00 0.15 H new ATOM 0 HB2 GLU A 26 11.369 8.752 -0.633 1.00 0.27 H new ATOM 0 HB3 GLU A 26 10.395 8.167 -1.968 1.00 0.27 H new ATOM 0 HG2 GLU A 26 8.561 9.707 -1.300 1.00 0.66 H new ATOM 0 HG3 GLU A 26 9.543 10.296 0.027 1.00 0.66 H new ATOM 368 N LEU A 27 8.979 5.518 -1.111 1.00 0.10 N ATOM 369 CA LEU A 27 9.105 4.249 -1.791 1.00 0.09 C ATOM 370 C LEU A 27 9.187 4.564 -3.252 1.00 0.09 C ATOM 371 O LEU A 27 8.484 5.434 -3.731 1.00 0.13 O ATOM 372 CB LEU A 27 7.874 3.372 -1.507 1.00 0.11 C ATOM 373 CG LEU A 27 7.688 2.114 -2.384 1.00 0.10 C ATOM 374 CD1 LEU A 27 6.685 1.202 -1.733 1.00 0.15 C ATOM 375 CD2 LEU A 27 7.190 2.448 -3.792 1.00 0.11 C ATOM 0 H LEU A 27 8.037 5.908 -1.137 1.00 0.10 H new ATOM 0 HA LEU A 27 9.985 3.702 -1.452 1.00 0.09 H new ATOM 0 HB2 LEU A 27 7.918 3.054 -0.465 1.00 0.11 H new ATOM 0 HB3 LEU A 27 6.985 3.993 -1.614 1.00 0.11 H new ATOM 0 HG LEU A 27 8.664 1.637 -2.474 1.00 0.10 H new ATOM 0 HD11 LEU A 27 6.550 0.312 -2.348 1.00 0.15 H new ATOM 0 HD12 LEU A 27 7.045 0.910 -0.746 1.00 0.15 H new ATOM 0 HD13 LEU A 27 5.732 1.722 -1.632 1.00 0.15 H new ATOM 0 HD21 LEU A 27 7.077 1.528 -4.366 1.00 0.11 H new ATOM 0 HD22 LEU A 27 6.228 2.956 -3.727 1.00 0.11 H new ATOM 0 HD23 LEU A 27 7.910 3.098 -4.288 1.00 0.11 H new ATOM 387 N THR A 28 10.016 3.870 -3.965 1.00 0.08 N ATOM 388 CA THR A 28 10.164 4.157 -5.360 1.00 0.09 C ATOM 389 C THR A 28 10.076 2.890 -6.170 1.00 0.08 C ATOM 390 O THR A 28 10.973 2.045 -6.128 1.00 0.10 O ATOM 391 CB THR A 28 11.484 4.883 -5.642 1.00 0.14 C ATOM 392 OG1 THR A 28 11.631 5.987 -4.740 1.00 0.21 O ATOM 393 CG2 THR A 28 11.510 5.390 -7.068 1.00 0.14 C ATOM 0 H THR A 28 10.596 3.109 -3.612 1.00 0.08 H new ATOM 0 HA THR A 28 9.349 4.819 -5.654 1.00 0.09 H new ATOM 0 HB THR A 28 12.307 4.182 -5.499 1.00 0.14 H new ATOM 0 HG1 THR A 28 12.477 6.448 -4.922 1.00 0.21 H new ATOM 0 HG21 THR A 28 12.453 5.904 -7.254 1.00 0.14 H new ATOM 0 HG22 THR A 28 11.413 4.549 -7.755 1.00 0.14 H new ATOM 0 HG23 THR A 28 10.683 6.083 -7.223 1.00 0.14 H new ATOM 401 N TRP A 29 8.980 2.753 -6.886 1.00 0.08 N ATOM 402 CA TRP A 29 8.808 1.624 -7.768 1.00 0.08 C ATOM 403 C TRP A 29 9.447 1.930 -9.102 1.00 0.08 C ATOM 404 O TRP A 29 8.965 2.747 -9.873 1.00 0.12 O ATOM 405 CB TRP A 29 7.335 1.274 -7.957 1.00 0.11 C ATOM 406 CG TRP A 29 7.125 0.084 -8.847 1.00 0.11 C ATOM 407 CD1 TRP A 29 7.169 -1.232 -8.487 1.00 0.13 C ATOM 408 CD2 TRP A 29 6.847 0.106 -10.250 1.00 0.14 C ATOM 409 NE1 TRP A 29 6.932 -2.029 -9.581 1.00 0.14 N ATOM 410 CE2 TRP A 29 6.733 -1.231 -10.674 1.00 0.14 C ATOM 411 CE3 TRP A 29 6.679 1.126 -11.188 1.00 0.19 C ATOM 412 CZ2 TRP A 29 6.465 -1.570 -11.996 1.00 0.19 C ATOM 413 CZ3 TRP A 29 6.412 0.788 -12.497 1.00 0.24 C ATOM 414 CH2 TRP A 29 6.306 -0.549 -12.891 1.00 0.24 C ATOM 0 H TRP A 29 8.199 3.408 -6.873 1.00 0.08 H new ATOM 0 HA TRP A 29 9.292 0.759 -7.315 1.00 0.08 H new ATOM 0 HB2 TRP A 29 6.886 1.076 -6.983 1.00 0.11 H new ATOM 0 HB3 TRP A 29 6.814 2.133 -8.380 1.00 0.11 H new ATOM 0 HD1 TRP A 29 7.362 -1.594 -7.488 1.00 0.13 H new ATOM 0 HE1 TRP A 29 6.908 -3.049 -9.578 1.00 0.14 H new ATOM 0 HE3 TRP A 29 6.757 2.162 -10.893 1.00 0.19 H new ATOM 0 HZ2 TRP A 29 6.385 -2.602 -12.304 1.00 0.19 H new ATOM 0 HZ3 TRP A 29 6.282 1.569 -13.231 1.00 0.24 H new ATOM 0 HH2 TRP A 29 6.094 -0.780 -13.924 1.00 0.24 H new ATOM 425 N ARG A 30 10.550 1.282 -9.340 1.00 0.10 N ATOM 426 CA ARG A 30 11.299 1.446 -10.555 1.00 0.12 C ATOM 427 C ARG A 30 11.241 0.145 -11.333 1.00 0.13 C ATOM 428 O ARG A 30 11.744 -0.870 -10.872 1.00 0.15 O ATOM 429 CB ARG A 30 12.737 1.834 -10.195 1.00 0.15 C ATOM 430 CG ARG A 30 13.702 1.883 -11.362 1.00 0.21 C ATOM 431 CD ARG A 30 14.340 0.532 -11.586 1.00 0.32 C ATOM 432 NE ARG A 30 15.418 0.574 -12.574 1.00 0.33 N ATOM 433 CZ ARG A 30 16.527 -0.164 -12.497 1.00 0.47 C ATOM 434 NH1 ARG A 30 16.742 -0.942 -11.443 1.00 0.87 N ATOM 435 NH2 ARG A 30 17.432 -0.112 -13.466 1.00 0.51 N ATOM 0 H ARG A 30 10.962 0.615 -8.687 1.00 0.10 H new ATOM 0 HA ARG A 30 10.882 2.236 -11.179 1.00 0.12 H new ATOM 0 HB2 ARG A 30 12.723 2.812 -9.714 1.00 0.15 H new ATOM 0 HB3 ARG A 30 13.115 1.123 -9.461 1.00 0.15 H new ATOM 0 HG2 ARG A 30 13.175 2.195 -12.263 1.00 0.21 H new ATOM 0 HG3 ARG A 30 14.474 2.628 -11.170 1.00 0.21 H new ATOM 0 HD2 ARG A 30 14.734 0.159 -10.640 1.00 0.32 H new ATOM 0 HD3 ARG A 30 13.578 -0.175 -11.915 1.00 0.32 H new ATOM 0 HE ARG A 30 15.316 1.205 -13.369 1.00 0.33 H new ATOM 0 HH11 ARG A 30 16.058 -0.978 -10.687 1.00 0.87 H new ATOM 0 HH12 ARG A 30 17.591 -1.504 -11.389 1.00 0.87 H new ATOM 0 HH21 ARG A 30 17.281 0.493 -14.273 1.00 0.51 H new ATOM 0 HH22 ARG A 30 18.279 -0.677 -13.404 1.00 0.51 H new ATOM 449 N SER A 31 10.611 0.173 -12.495 1.00 0.16 N ATOM 450 CA SER A 31 10.454 -1.023 -13.306 1.00 0.18 C ATOM 451 C SER A 31 11.811 -1.636 -13.608 1.00 0.20 C ATOM 452 O SER A 31 12.797 -0.929 -13.787 1.00 0.24 O ATOM 453 CB SER A 31 9.726 -0.678 -14.603 1.00 0.28 C ATOM 454 OG SER A 31 10.376 0.385 -15.271 1.00 0.75 O ATOM 0 H SER A 31 10.199 1.014 -12.899 1.00 0.16 H new ATOM 0 HA SER A 31 9.862 -1.752 -12.752 1.00 0.18 H new ATOM 0 HB2 SER A 31 9.691 -1.554 -15.251 1.00 0.28 H new ATOM 0 HB3 SER A 31 8.695 -0.401 -14.385 1.00 0.28 H new ATOM 0 HG SER A 31 10.345 1.190 -14.713 1.00 0.75 H new ATOM 460 N THR A 32 11.836 -2.961 -13.640 1.00 0.20 N ATOM 461 CA THR A 32 13.061 -3.723 -13.854 1.00 0.26 C ATOM 462 C THR A 32 13.795 -3.260 -15.117 1.00 0.30 C ATOM 463 O THR A 32 15.023 -3.276 -15.177 1.00 0.38 O ATOM 464 CB THR A 32 12.740 -5.222 -13.969 1.00 0.31 C ATOM 465 OG1 THR A 32 11.902 -5.610 -12.873 1.00 0.31 O ATOM 466 CG2 THR A 32 14.011 -6.061 -13.956 1.00 0.39 C ATOM 0 H THR A 32 11.006 -3.541 -13.518 1.00 0.20 H new ATOM 0 HA THR A 32 13.711 -3.551 -12.996 1.00 0.26 H new ATOM 0 HB THR A 32 12.228 -5.393 -14.916 1.00 0.31 H new ATOM 0 HG1 THR A 32 11.693 -6.565 -12.943 1.00 0.31 H new ATOM 0 HG21 THR A 32 13.751 -7.116 -14.039 1.00 0.39 H new ATOM 0 HG22 THR A 32 14.644 -5.776 -14.797 1.00 0.39 H new ATOM 0 HG23 THR A 32 14.549 -5.892 -13.023 1.00 0.39 H new ATOM 474 N ASP A 33 13.027 -2.840 -16.121 1.00 0.32 N ATOM 475 CA ASP A 33 13.593 -2.328 -17.368 1.00 0.39 C ATOM 476 C ASP A 33 14.028 -0.871 -17.221 1.00 0.37 C ATOM 477 O ASP A 33 14.950 -0.414 -17.896 1.00 0.44 O ATOM 478 CB ASP A 33 12.571 -2.449 -18.502 1.00 0.52 C ATOM 479 CG ASP A 33 13.057 -1.823 -19.797 1.00 1.60 C ATOM 480 OD1 ASP A 33 13.957 -2.402 -20.443 1.00 2.07 O ATOM 481 OD2 ASP A 33 12.546 -0.749 -20.171 1.00 2.33 O ATOM 0 H ASP A 33 12.007 -2.844 -16.095 1.00 0.32 H new ATOM 0 HA ASP A 33 14.472 -2.927 -17.606 1.00 0.39 H new ATOM 0 HB2 ASP A 33 12.348 -3.502 -18.674 1.00 0.52 H new ATOM 0 HB3 ASP A 33 11.640 -1.971 -18.199 1.00 0.52 H new ATOM 486 N GLY A 34 13.370 -0.151 -16.324 1.00 0.36 N ATOM 487 CA GLY A 34 13.673 1.254 -16.122 1.00 0.37 C ATOM 488 C GLY A 34 12.700 2.160 -16.847 1.00 0.42 C ATOM 489 O GLY A 34 12.804 3.383 -16.776 1.00 0.55 O ATOM 0 H GLY A 34 12.627 -0.516 -15.728 1.00 0.36 H new ATOM 0 HA2 GLY A 34 13.650 1.479 -15.056 1.00 0.37 H new ATOM 0 HA3 GLY A 34 14.686 1.459 -16.470 1.00 0.37 H new ATOM 493 N ASP A 35 11.743 1.546 -17.530 1.00 0.45 N ATOM 494 CA ASP A 35 10.761 2.272 -18.329 1.00 0.55 C ATOM 495 C ASP A 35 9.873 3.156 -17.457 1.00 0.46 C ATOM 496 O ASP A 35 9.673 4.337 -17.744 1.00 0.74 O ATOM 497 CB ASP A 35 9.903 1.283 -19.109 1.00 0.73 C ATOM 498 CG ASP A 35 8.936 1.958 -20.060 1.00 0.89 C ATOM 499 OD1 ASP A 35 9.329 2.248 -21.210 1.00 1.13 O ATOM 500 OD2 ASP A 35 7.784 2.221 -19.655 1.00 0.92 O ATOM 0 H ASP A 35 11.624 0.533 -17.547 1.00 0.45 H new ATOM 0 HA ASP A 35 11.299 2.919 -19.021 1.00 0.55 H new ATOM 0 HB2 ASP A 35 10.552 0.614 -19.674 1.00 0.73 H new ATOM 0 HB3 ASP A 35 9.342 0.665 -18.408 1.00 0.73 H new ATOM 505 N LYS A 36 9.358 2.577 -16.389 1.00 0.34 N ATOM 506 CA LYS A 36 8.462 3.285 -15.483 1.00 0.34 C ATOM 507 C LYS A 36 9.047 3.397 -14.091 1.00 0.27 C ATOM 508 O LYS A 36 9.789 2.522 -13.633 1.00 0.34 O ATOM 509 CB LYS A 36 7.114 2.580 -15.405 1.00 0.55 C ATOM 510 CG LYS A 36 6.320 2.693 -16.678 1.00 0.92 C ATOM 511 CD LYS A 36 5.376 1.532 -16.841 1.00 0.90 C ATOM 512 CE LYS A 36 4.641 1.623 -18.155 1.00 1.25 C ATOM 513 NZ LYS A 36 5.421 1.033 -19.275 1.00 2.03 N ATOM 0 H LYS A 36 9.545 1.610 -16.123 1.00 0.34 H new ATOM 0 HA LYS A 36 8.329 4.290 -15.884 1.00 0.34 H new ATOM 0 HB2 LYS A 36 7.273 1.527 -15.174 1.00 0.55 H new ATOM 0 HB3 LYS A 36 6.536 3.002 -14.583 1.00 0.55 H new ATOM 0 HG2 LYS A 36 5.755 3.625 -16.675 1.00 0.92 H new ATOM 0 HG3 LYS A 36 6.999 2.734 -17.530 1.00 0.92 H new ATOM 0 HD2 LYS A 36 5.932 0.596 -16.794 1.00 0.90 H new ATOM 0 HD3 LYS A 36 4.661 1.520 -16.019 1.00 0.90 H new ATOM 0 HE2 LYS A 36 3.684 1.109 -18.071 1.00 1.25 H new ATOM 0 HE3 LYS A 36 4.423 2.668 -18.376 1.00 1.25 H new ATOM 0 HZ1 LYS A 36 4.845 1.040 -20.141 1.00 2.03 H new ATOM 0 HZ2 LYS A 36 6.285 1.592 -19.429 1.00 2.03 H new ATOM 0 HZ3 LYS A 36 5.680 0.054 -19.040 1.00 2.03 H new ATOM 527 N VAL A 37 8.691 4.482 -13.435 1.00 0.22 N ATOM 528 CA VAL A 37 9.114 4.762 -12.060 1.00 0.21 C ATOM 529 C VAL A 37 7.995 5.487 -11.311 1.00 0.22 C ATOM 530 O VAL A 37 7.503 6.521 -11.765 1.00 0.32 O ATOM 531 CB VAL A 37 10.400 5.629 -12.002 1.00 0.22 C ATOM 532 CG1 VAL A 37 10.786 5.919 -10.559 1.00 0.54 C ATOM 533 CG2 VAL A 37 11.559 4.955 -12.723 1.00 0.55 C ATOM 0 H VAL A 37 8.095 5.206 -13.836 1.00 0.22 H new ATOM 0 HA VAL A 37 9.333 3.802 -11.591 1.00 0.21 H new ATOM 0 HB VAL A 37 10.184 6.569 -12.509 1.00 0.22 H new ATOM 0 HG11 VAL A 37 11.690 6.528 -10.539 1.00 0.54 H new ATOM 0 HG12 VAL A 37 9.976 6.457 -10.067 1.00 0.54 H new ATOM 0 HG13 VAL A 37 10.969 4.981 -10.036 1.00 0.54 H new ATOM 0 HG21 VAL A 37 12.443 5.589 -12.663 1.00 0.55 H new ATOM 0 HG22 VAL A 37 11.769 3.994 -12.254 1.00 0.55 H new ATOM 0 HG23 VAL A 37 11.295 4.799 -13.769 1.00 0.55 H new ATOM 543 N HIS A 38 7.594 4.939 -10.174 1.00 0.17 N ATOM 544 CA HIS A 38 6.498 5.492 -9.394 1.00 0.19 C ATOM 545 C HIS A 38 6.878 5.585 -7.920 1.00 0.17 C ATOM 546 O HIS A 38 7.083 4.567 -7.265 1.00 0.17 O ATOM 547 CB HIS A 38 5.281 4.597 -9.544 1.00 0.25 C ATOM 548 CG HIS A 38 3.979 5.300 -9.309 1.00 0.41 C ATOM 549 ND1 HIS A 38 3.095 5.583 -10.323 1.00 0.52 N ATOM 550 CD2 HIS A 38 3.413 5.780 -8.176 1.00 0.56 C ATOM 551 CE1 HIS A 38 2.044 6.206 -9.829 1.00 0.67 C ATOM 552 NE2 HIS A 38 2.208 6.339 -8.527 1.00 0.69 N ATOM 0 H HIS A 38 8.016 4.104 -9.768 1.00 0.17 H new ATOM 0 HA HIS A 38 6.276 6.495 -9.760 1.00 0.19 H new ATOM 0 HB2 HIS A 38 5.277 4.171 -10.547 1.00 0.25 H new ATOM 0 HB3 HIS A 38 5.365 3.765 -8.845 1.00 0.25 H new ATOM 0 HD2 HIS A 38 3.831 5.732 -7.181 1.00 0.56 H new ATOM 0 HE1 HIS A 38 1.191 6.550 -10.395 1.00 0.67 H new ATOM 0 HE2 HIS A 38 1.550 6.783 -7.887 1.00 0.69 H new ATOM 561 N THR A 39 6.953 6.792 -7.390 1.00 0.18 N ATOM 562 CA THR A 39 7.350 6.976 -6.003 1.00 0.17 C ATOM 563 C THR A 39 6.124 7.164 -5.087 1.00 0.19 C ATOM 564 O THR A 39 5.163 7.839 -5.456 1.00 0.30 O ATOM 565 CB THR A 39 8.279 8.197 -5.859 1.00 0.22 C ATOM 566 OG1 THR A 39 9.354 8.114 -6.807 1.00 0.23 O ATOM 567 CG2 THR A 39 8.847 8.285 -4.453 1.00 0.23 C ATOM 0 H THR A 39 6.746 7.655 -7.893 1.00 0.18 H new ATOM 0 HA THR A 39 7.882 6.075 -5.699 1.00 0.17 H new ATOM 0 HB THR A 39 7.691 9.094 -6.054 1.00 0.22 H new ATOM 0 HG1 THR A 39 9.938 8.895 -6.709 1.00 0.23 H new ATOM 0 HG21 THR A 39 9.499 9.155 -4.378 1.00 0.23 H new ATOM 0 HG22 THR A 39 8.031 8.380 -3.736 1.00 0.23 H new ATOM 0 HG23 THR A 39 9.419 7.383 -4.234 1.00 0.23 H new ATOM 575 N VAL A 40 6.166 6.553 -3.903 1.00 0.13 N ATOM 576 CA VAL A 40 5.118 6.703 -2.895 1.00 0.18 C ATOM 577 C VAL A 40 5.634 7.469 -1.671 1.00 0.11 C ATOM 578 O VAL A 40 6.684 7.130 -1.124 1.00 0.11 O ATOM 579 CB VAL A 40 4.604 5.320 -2.431 1.00 0.30 C ATOM 580 CG1 VAL A 40 3.835 5.434 -1.130 1.00 0.47 C ATOM 581 CG2 VAL A 40 3.731 4.681 -3.489 1.00 0.66 C ATOM 0 H VAL A 40 6.929 5.940 -3.616 1.00 0.13 H new ATOM 0 HA VAL A 40 4.305 7.264 -3.356 1.00 0.18 H new ATOM 0 HB VAL A 40 5.475 4.686 -2.268 1.00 0.30 H new ATOM 0 HG11 VAL A 40 3.485 4.447 -0.827 1.00 0.47 H new ATOM 0 HG12 VAL A 40 4.486 5.842 -0.357 1.00 0.47 H new ATOM 0 HG13 VAL A 40 2.980 6.095 -1.270 1.00 0.47 H new ATOM 0 HG21 VAL A 40 3.384 3.710 -3.136 1.00 0.66 H new ATOM 0 HG22 VAL A 40 2.873 5.323 -3.689 1.00 0.66 H new ATOM 0 HG23 VAL A 40 4.307 4.549 -4.405 1.00 0.66 H new ATOM 591 N VAL A 41 4.899 8.499 -1.251 1.00 0.10 N ATOM 592 CA VAL A 41 5.219 9.217 -0.026 1.00 0.10 C ATOM 593 C VAL A 41 4.467 8.595 1.140 1.00 0.08 C ATOM 594 O VAL A 41 3.254 8.717 1.252 1.00 0.09 O ATOM 595 CB VAL A 41 4.891 10.725 -0.116 1.00 0.13 C ATOM 596 CG1 VAL A 41 5.306 11.447 1.166 1.00 0.14 C ATOM 597 CG2 VAL A 41 5.578 11.344 -1.323 1.00 0.18 C ATOM 0 H VAL A 41 4.079 8.852 -1.744 1.00 0.10 H new ATOM 0 HA VAL A 41 6.295 9.132 0.128 1.00 0.10 H new ATOM 0 HB VAL A 41 3.813 10.836 -0.235 1.00 0.13 H new ATOM 0 HG11 VAL A 41 5.066 12.507 1.081 1.00 0.14 H new ATOM 0 HG12 VAL A 41 4.770 11.021 2.014 1.00 0.14 H new ATOM 0 HG13 VAL A 41 6.379 11.329 1.319 1.00 0.14 H new ATOM 0 HG21 VAL A 41 5.338 12.406 -1.373 1.00 0.18 H new ATOM 0 HG22 VAL A 41 6.657 11.220 -1.231 1.00 0.18 H new ATOM 0 HG23 VAL A 41 5.232 10.850 -2.231 1.00 0.18 H new ATOM 607 N LEU A 42 5.210 7.925 1.988 1.00 0.08 N ATOM 608 CA LEU A 42 4.673 7.221 3.152 1.00 0.09 C ATOM 609 C LEU A 42 3.820 8.115 4.050 1.00 0.10 C ATOM 610 O LEU A 42 2.951 7.624 4.762 1.00 0.12 O ATOM 611 CB LEU A 42 5.814 6.623 3.973 1.00 0.10 C ATOM 612 CG LEU A 42 6.399 5.301 3.458 1.00 0.10 C ATOM 613 CD1 LEU A 42 5.486 4.160 3.853 1.00 0.12 C ATOM 614 CD2 LEU A 42 6.600 5.306 1.947 1.00 0.10 C ATOM 0 H LEU A 42 6.223 7.846 1.896 1.00 0.08 H new ATOM 0 HA LEU A 42 4.025 6.433 2.768 1.00 0.09 H new ATOM 0 HB2 LEU A 42 6.619 7.356 4.026 1.00 0.10 H new ATOM 0 HB3 LEU A 42 5.458 6.466 4.991 1.00 0.10 H new ATOM 0 HG LEU A 42 7.381 5.173 3.913 1.00 0.10 H new ATOM 0 HD11 LEU A 42 5.900 3.220 3.488 1.00 0.12 H new ATOM 0 HD12 LEU A 42 5.401 4.122 4.939 1.00 0.12 H new ATOM 0 HD13 LEU A 42 4.499 4.316 3.417 1.00 0.12 H new ATOM 0 HD21 LEU A 42 7.016 4.349 1.632 1.00 0.10 H new ATOM 0 HD22 LEU A 42 5.642 5.465 1.453 1.00 0.10 H new ATOM 0 HD23 LEU A 42 7.287 6.107 1.674 1.00 0.10 H new ATOM 626 N SER A 43 4.063 9.417 4.028 1.00 0.12 N ATOM 627 CA SER A 43 3.294 10.327 4.865 1.00 0.15 C ATOM 628 C SER A 43 1.935 10.641 4.254 1.00 0.14 C ATOM 629 O SER A 43 0.965 10.886 4.970 1.00 0.17 O ATOM 630 CB SER A 43 4.055 11.612 5.116 1.00 0.20 C ATOM 631 OG SER A 43 5.187 11.365 5.917 1.00 1.06 O ATOM 0 H SER A 43 4.775 9.863 3.449 1.00 0.12 H new ATOM 0 HA SER A 43 3.132 9.822 5.817 1.00 0.15 H new ATOM 0 HB2 SER A 43 4.362 12.051 4.167 1.00 0.20 H new ATOM 0 HB3 SER A 43 3.405 12.337 5.607 1.00 0.20 H new ATOM 0 HG SER A 43 4.970 11.548 6.855 1.00 1.06 H new ATOM 637 N THR A 44 1.863 10.649 2.927 1.00 0.13 N ATOM 638 CA THR A 44 0.579 10.793 2.258 1.00 0.14 C ATOM 639 C THR A 44 -0.169 9.465 2.318 1.00 0.13 C ATOM 640 O THR A 44 -1.334 9.371 1.948 1.00 0.18 O ATOM 641 CB THR A 44 0.722 11.257 0.790 1.00 0.16 C ATOM 642 OG1 THR A 44 1.447 10.290 0.026 1.00 0.17 O ATOM 643 CG2 THR A 44 1.432 12.600 0.711 1.00 0.20 C ATOM 0 H THR A 44 2.665 10.559 2.304 1.00 0.13 H new ATOM 0 HA THR A 44 0.018 11.568 2.779 1.00 0.14 H new ATOM 0 HB THR A 44 -0.281 11.363 0.377 1.00 0.16 H new ATOM 0 HG1 THR A 44 1.849 9.631 0.630 1.00 0.17 H new ATOM 0 HG21 THR A 44 1.520 12.904 -0.332 1.00 0.20 H new ATOM 0 HG22 THR A 44 0.859 13.347 1.260 1.00 0.20 H new ATOM 0 HG23 THR A 44 2.426 12.512 1.148 1.00 0.20 H new ATOM 651 N ILE A 45 0.540 8.441 2.777 1.00 0.11 N ATOM 652 CA ILE A 45 -0.025 7.133 3.033 1.00 0.12 C ATOM 653 C ILE A 45 -0.624 7.044 4.442 1.00 0.16 C ATOM 654 O ILE A 45 0.056 7.272 5.440 1.00 0.23 O ATOM 655 CB ILE A 45 1.055 6.053 2.881 1.00 0.12 C ATOM 656 CG1 ILE A 45 1.663 6.080 1.474 1.00 0.10 C ATOM 657 CG2 ILE A 45 0.478 4.691 3.182 1.00 0.16 C ATOM 658 CD1 ILE A 45 0.673 5.763 0.362 1.00 0.10 C ATOM 0 H ILE A 45 1.537 8.502 2.983 1.00 0.11 H new ATOM 0 HA ILE A 45 -0.821 6.972 2.306 1.00 0.12 H new ATOM 0 HB ILE A 45 1.851 6.262 3.596 1.00 0.12 H new ATOM 0 HG12 ILE A 45 2.091 7.066 1.294 1.00 0.10 H new ATOM 0 HG13 ILE A 45 2.483 5.363 1.431 1.00 0.10 H new ATOM 0 HG21 ILE A 45 1.254 3.934 3.070 1.00 0.16 H new ATOM 0 HG22 ILE A 45 0.099 4.674 4.204 1.00 0.16 H new ATOM 0 HG23 ILE A 45 -0.337 4.480 2.489 1.00 0.16 H new ATOM 0 HD11 ILE A 45 1.182 5.803 -0.601 1.00 0.10 H new ATOM 0 HD12 ILE A 45 0.262 4.765 0.514 1.00 0.10 H new ATOM 0 HD13 ILE A 45 -0.136 6.494 0.375 1.00 0.10 H new ATOM 670 N ASP A 46 -1.913 6.734 4.499 1.00 0.16 N ATOM 671 CA ASP A 46 -2.643 6.573 5.754 1.00 0.22 C ATOM 672 C ASP A 46 -2.382 5.196 6.367 1.00 0.22 C ATOM 673 O ASP A 46 -2.161 5.078 7.573 1.00 0.28 O ATOM 674 CB ASP A 46 -4.142 6.779 5.496 1.00 0.28 C ATOM 675 CG ASP A 46 -5.015 6.499 6.707 1.00 0.46 C ATOM 676 OD1 ASP A 46 -4.838 7.175 7.743 1.00 0.70 O ATOM 677 OD2 ASP A 46 -5.901 5.619 6.620 1.00 0.61 O ATOM 0 H ASP A 46 -2.488 6.586 3.669 1.00 0.16 H new ATOM 0 HA ASP A 46 -2.294 7.320 6.467 1.00 0.22 H new ATOM 0 HB2 ASP A 46 -4.308 7.806 5.170 1.00 0.28 H new ATOM 0 HB3 ASP A 46 -4.453 6.130 4.677 1.00 0.28 H new ATOM 682 N LYS A 47 -2.398 4.158 5.529 1.00 0.21 N ATOM 683 CA LYS A 47 -2.158 2.789 5.990 1.00 0.27 C ATOM 684 C LYS A 47 -1.312 2.041 4.976 1.00 0.18 C ATOM 685 O LYS A 47 -1.285 2.395 3.805 1.00 0.20 O ATOM 686 CB LYS A 47 -3.464 1.993 6.158 1.00 0.41 C ATOM 687 CG LYS A 47 -4.586 2.727 6.863 1.00 1.07 C ATOM 688 CD LYS A 47 -4.312 2.895 8.341 1.00 1.01 C ATOM 689 CE LYS A 47 -5.567 3.304 9.083 1.00 1.60 C ATOM 690 NZ LYS A 47 -6.603 2.240 9.030 1.00 1.95 N ATOM 0 H LYS A 47 -2.575 4.239 4.528 1.00 0.21 H new ATOM 0 HA LYS A 47 -1.656 2.872 6.954 1.00 0.27 H new ATOM 0 HB2 LYS A 47 -3.814 1.690 5.171 1.00 0.41 H new ATOM 0 HB3 LYS A 47 -3.245 1.081 6.712 1.00 0.41 H new ATOM 0 HG2 LYS A 47 -4.722 3.707 6.406 1.00 1.07 H new ATOM 0 HG3 LYS A 47 -5.519 2.180 6.727 1.00 1.07 H new ATOM 0 HD2 LYS A 47 -3.931 1.960 8.752 1.00 1.01 H new ATOM 0 HD3 LYS A 47 -3.537 3.647 8.488 1.00 1.01 H new ATOM 0 HE2 LYS A 47 -5.321 3.523 10.122 1.00 1.60 H new ATOM 0 HE3 LYS A 47 -5.964 4.222 8.650 1.00 1.60 H new ATOM 0 HZ1 LYS A 47 -7.270 2.366 9.818 1.00 1.95 H new ATOM 0 HZ2 LYS A 47 -7.117 2.301 8.128 1.00 1.95 H new ATOM 0 HZ3 LYS A 47 -6.148 1.308 9.107 1.00 1.95 H new ATOM 704 N LEU A 48 -0.634 1.007 5.416 1.00 0.14 N ATOM 705 CA LEU A 48 -0.036 0.064 4.498 1.00 0.10 C ATOM 706 C LEU A 48 -0.638 -1.309 4.728 1.00 0.11 C ATOM 707 O LEU A 48 -0.944 -1.692 5.855 1.00 0.14 O ATOM 708 CB LEU A 48 1.476 -0.003 4.654 1.00 0.10 C ATOM 709 CG LEU A 48 2.111 -1.270 4.096 1.00 0.11 C ATOM 710 CD1 LEU A 48 2.076 -1.280 2.587 1.00 0.12 C ATOM 711 CD2 LEU A 48 3.530 -1.384 4.559 1.00 0.13 C ATOM 0 H LEU A 48 -0.482 0.797 6.403 1.00 0.14 H new ATOM 0 HA LEU A 48 -0.245 0.403 3.483 1.00 0.10 H new ATOM 0 HB2 LEU A 48 1.919 0.860 4.157 1.00 0.10 H new ATOM 0 HB3 LEU A 48 1.724 0.077 5.712 1.00 0.10 H new ATOM 0 HG LEU A 48 1.535 -2.119 4.463 1.00 0.11 H new ATOM 0 HD11 LEU A 48 2.536 -2.197 2.218 1.00 0.12 H new ATOM 0 HD12 LEU A 48 1.042 -1.231 2.247 1.00 0.12 H new ATOM 0 HD13 LEU A 48 2.625 -0.419 2.205 1.00 0.12 H new ATOM 0 HD21 LEU A 48 3.973 -2.294 4.154 1.00 0.13 H new ATOM 0 HD22 LEU A 48 4.096 -0.519 4.213 1.00 0.13 H new ATOM 0 HD23 LEU A 48 3.555 -1.422 5.648 1.00 0.13 H new ATOM 723 N GLN A 49 -0.788 -2.035 3.652 1.00 0.10 N ATOM 724 CA GLN A 49 -1.375 -3.355 3.676 1.00 0.11 C ATOM 725 C GLN A 49 -0.397 -4.348 3.090 1.00 0.10 C ATOM 726 O GLN A 49 0.428 -3.999 2.248 1.00 0.12 O ATOM 727 CB GLN A 49 -2.659 -3.393 2.861 1.00 0.15 C ATOM 728 CG GLN A 49 -3.703 -2.374 3.296 1.00 0.27 C ATOM 729 CD GLN A 49 -4.393 -2.741 4.597 1.00 0.86 C ATOM 730 OE1 GLN A 49 -4.626 -4.028 4.811 1.00 1.49 O flip ATOM 731 NE2 GLN A 49 -4.755 -1.869 5.384 1.00 1.03 N flip ATOM 0 H GLN A 49 -0.504 -1.726 2.722 1.00 0.10 H new ATOM 0 HA GLN A 49 -1.605 -3.610 4.710 1.00 0.11 H new ATOM 0 HB2 GLN A 49 -2.416 -3.223 1.812 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -3.091 -4.391 2.930 1.00 0.15 H new ATOM 0 HG2 GLN A 49 -3.226 -1.400 3.408 1.00 0.27 H new ATOM 0 HG3 GLN A 49 -4.452 -2.274 2.511 1.00 0.27 H new ATOM 0 HE21 GLN A 49 -4.557 -0.888 5.185 1.00 1.03 H new ATOM 0 HE22 GLN A 49 -5.253 -2.126 6.236 1.00 1.03 H new ATOM 740 N ALA A 50 -0.502 -5.571 3.536 1.00 0.11 N ATOM 741 CA ALA A 50 0.364 -6.638 3.081 1.00 0.13 C ATOM 742 C ALA A 50 -0.261 -7.979 3.447 1.00 0.18 C ATOM 743 O ALA A 50 -0.947 -8.082 4.466 1.00 0.25 O ATOM 744 CB ALA A 50 1.749 -6.485 3.704 1.00 0.16 C ATOM 0 H ALA A 50 -1.192 -5.862 4.228 1.00 0.11 H new ATOM 0 HA ALA A 50 0.478 -6.590 1.998 1.00 0.13 H new ATOM 0 HB1 ALA A 50 2.395 -7.291 3.357 1.00 0.16 H new ATOM 0 HB2 ALA A 50 2.176 -5.526 3.411 1.00 0.16 H new ATOM 0 HB3 ALA A 50 1.666 -6.528 4.790 1.00 0.16 H new ATOM 750 N THR A 51 -0.060 -8.986 2.607 1.00 0.17 N ATOM 751 CA THR A 51 -0.594 -10.322 2.861 1.00 0.22 C ATOM 752 C THR A 51 -0.040 -10.896 4.161 1.00 0.33 C ATOM 753 O THR A 51 1.176 -10.952 4.377 1.00 0.37 O ATOM 754 CB THR A 51 -0.269 -11.285 1.709 1.00 0.21 C ATOM 755 OG1 THR A 51 1.136 -11.330 1.481 1.00 0.25 O ATOM 756 CG2 THR A 51 -0.965 -10.875 0.424 1.00 0.20 C ATOM 0 H THR A 51 0.471 -8.904 1.740 1.00 0.17 H new ATOM 0 HA THR A 51 -1.676 -10.220 2.943 1.00 0.22 H new ATOM 0 HB THR A 51 -0.630 -12.271 2.002 1.00 0.21 H new ATOM 0 HG1 THR A 51 1.578 -10.648 2.029 1.00 0.25 H new ATOM 0 HG21 THR A 51 -0.711 -11.580 -0.368 1.00 0.20 H new ATOM 0 HG22 THR A 51 -2.044 -10.876 0.578 1.00 0.20 H new ATOM 0 HG23 THR A 51 -0.640 -9.875 0.138 1.00 0.20 H new ATOM 764 N PRO A 52 -0.949 -11.315 5.041 1.00 0.41 N ATOM 765 CA PRO A 52 -0.619 -11.936 6.327 1.00 0.54 C ATOM 766 C PRO A 52 0.030 -13.301 6.141 1.00 0.61 C ATOM 767 O PRO A 52 0.009 -13.857 5.045 1.00 0.58 O ATOM 768 CB PRO A 52 -1.990 -12.084 6.995 1.00 0.64 C ATOM 769 CG PRO A 52 -2.934 -12.167 5.861 1.00 0.60 C ATOM 770 CD PRO A 52 -2.401 -11.227 4.835 1.00 0.45 C ATOM 0 HA PRO A 52 0.095 -11.350 6.907 1.00 0.54 H new ATOM 0 HB2 PRO A 52 -2.036 -12.977 7.618 1.00 0.64 H new ATOM 0 HB3 PRO A 52 -2.214 -11.234 7.639 1.00 0.64 H new ATOM 0 HG2 PRO A 52 -2.992 -13.183 5.471 1.00 0.60 H new ATOM 0 HG3 PRO A 52 -3.942 -11.885 6.167 1.00 0.60 H new ATOM 0 HD2 PRO A 52 -2.686 -11.525 3.826 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -2.771 -10.212 4.984 1.00 0.45 H new ATOM 778 N ALA A 53 0.617 -13.832 7.201 1.00 0.73 N ATOM 779 CA ALA A 53 1.231 -15.153 7.147 1.00 0.86 C ATOM 780 C ALA A 53 0.183 -16.223 6.842 1.00 0.91 C ATOM 781 O ALA A 53 0.508 -17.307 6.362 1.00 1.00 O ATOM 782 CB ALA A 53 1.947 -15.457 8.454 1.00 1.02 C ATOM 0 H ALA A 53 0.682 -13.371 8.109 1.00 0.73 H new ATOM 0 HA ALA A 53 1.966 -15.160 6.342 1.00 0.86 H new ATOM 0 HB1 ALA A 53 2.401 -16.447 8.399 1.00 1.02 H new ATOM 0 HB2 ALA A 53 2.723 -14.711 8.626 1.00 1.02 H new ATOM 0 HB3 ALA A 53 1.231 -15.431 9.276 1.00 1.02 H new ATOM 788 N SER A 54 -1.077 -15.905 7.121 1.00 0.89 N ATOM 789 CA SER A 54 -2.186 -16.804 6.829 1.00 0.98 C ATOM 790 C SER A 54 -2.551 -16.742 5.344 1.00 0.88 C ATOM 791 O SER A 54 -3.196 -17.645 4.812 1.00 0.97 O ATOM 792 CB SER A 54 -3.396 -16.424 7.682 1.00 1.07 C ATOM 793 OG SER A 54 -4.369 -17.457 7.694 1.00 1.58 O ATOM 0 H SER A 54 -1.356 -15.024 7.552 1.00 0.89 H new ATOM 0 HA SER A 54 -1.883 -17.824 7.067 1.00 0.98 H new ATOM 0 HB2 SER A 54 -3.073 -16.216 8.702 1.00 1.07 H new ATOM 0 HB3 SER A 54 -3.842 -15.507 7.295 1.00 1.07 H new ATOM 0 HG SER A 54 -5.129 -17.184 8.249 1.00 1.58 H new ATOM 799 N SER A 55 -2.138 -15.665 4.691 1.00 0.71 N ATOM 800 CA SER A 55 -2.350 -15.496 3.257 1.00 0.61 C ATOM 801 C SER A 55 -1.515 -16.504 2.472 1.00 0.63 C ATOM 802 O SER A 55 -0.405 -16.853 2.878 1.00 0.71 O ATOM 803 CB SER A 55 -1.968 -14.069 2.826 1.00 0.55 C ATOM 804 OG SER A 55 -1.977 -13.931 1.414 1.00 0.54 O ATOM 0 H SER A 55 -1.650 -14.887 5.135 1.00 0.71 H new ATOM 0 HA SER A 55 -3.406 -15.666 3.046 1.00 0.61 H new ATOM 0 HB2 SER A 55 -2.665 -13.356 3.266 1.00 0.55 H new ATOM 0 HB3 SER A 55 -0.977 -13.825 3.210 1.00 0.55 H new ATOM 0 HG SER A 55 -1.057 -13.947 1.078 1.00 0.54 H new ATOM 810 N GLU A 56 -2.054 -16.970 1.351 1.00 0.61 N ATOM 811 CA GLU A 56 -1.325 -17.862 0.460 1.00 0.69 C ATOM 812 C GLU A 56 -0.554 -17.058 -0.567 1.00 0.60 C ATOM 813 O GLU A 56 0.317 -17.577 -1.266 1.00 0.70 O ATOM 814 CB GLU A 56 -2.281 -18.806 -0.243 1.00 0.80 C ATOM 815 CG GLU A 56 -2.864 -19.848 0.676 1.00 1.19 C ATOM 816 CD GLU A 56 -1.807 -20.758 1.262 1.00 2.20 C ATOM 817 OE1 GLU A 56 -1.184 -20.379 2.277 1.00 2.66 O ATOM 818 OE2 GLU A 56 -1.597 -21.860 0.722 1.00 2.89 O ATOM 0 H GLU A 56 -2.998 -16.743 1.038 1.00 0.61 H new ATOM 0 HA GLU A 56 -0.625 -18.448 1.056 1.00 0.69 H new ATOM 0 HB2 GLU A 56 -3.091 -18.228 -0.688 1.00 0.80 H new ATOM 0 HB3 GLU A 56 -1.757 -19.302 -1.060 1.00 0.80 H new ATOM 0 HG2 GLU A 56 -3.403 -19.354 1.485 1.00 1.19 H new ATOM 0 HG3 GLU A 56 -3.591 -20.447 0.127 1.00 1.19 H new ATOM 825 N LYS A 57 -0.896 -15.785 -0.655 1.00 0.46 N ATOM 826 CA LYS A 57 -0.299 -14.900 -1.636 1.00 0.39 C ATOM 827 C LYS A 57 0.672 -13.951 -0.958 1.00 0.32 C ATOM 828 O LYS A 57 0.765 -13.920 0.268 1.00 0.39 O ATOM 829 CB LYS A 57 -1.378 -14.087 -2.354 1.00 0.41 C ATOM 830 CG LYS A 57 -2.705 -14.817 -2.523 1.00 0.56 C ATOM 831 CD LYS A 57 -2.567 -16.112 -3.300 1.00 0.89 C ATOM 832 CE LYS A 57 -2.009 -15.890 -4.695 1.00 1.84 C ATOM 833 NZ LYS A 57 -2.847 -14.958 -5.499 1.00 2.59 N ATOM 0 H LYS A 57 -1.589 -15.340 -0.054 1.00 0.46 H new ATOM 0 HA LYS A 57 0.234 -15.510 -2.366 1.00 0.39 H new ATOM 0 HB2 LYS A 57 -1.552 -13.165 -1.798 1.00 0.41 H new ATOM 0 HB3 LYS A 57 -1.006 -13.801 -3.338 1.00 0.41 H new ATOM 0 HG2 LYS A 57 -3.125 -15.031 -1.540 1.00 0.56 H new ATOM 0 HG3 LYS A 57 -3.411 -14.164 -3.036 1.00 0.56 H new ATOM 0 HD2 LYS A 57 -1.914 -16.793 -2.754 1.00 0.89 H new ATOM 0 HD3 LYS A 57 -3.541 -16.595 -3.373 1.00 0.89 H new ATOM 0 HE2 LYS A 57 -0.997 -15.492 -4.620 1.00 1.84 H new ATOM 0 HE3 LYS A 57 -1.937 -16.847 -5.211 1.00 1.84 H new ATOM 0 HZ1 LYS A 57 -2.516 -14.956 -6.485 1.00 2.59 H new ATOM 0 HZ2 LYS A 57 -3.839 -15.269 -5.468 1.00 2.59 H new ATOM 0 HZ3 LYS A 57 -2.772 -13.998 -5.107 1.00 2.59 H new ATOM 847 N MET A 58 1.379 -13.182 -1.767 1.00 0.27 N ATOM 848 CA MET A 58 2.283 -12.155 -1.273 1.00 0.25 C ATOM 849 C MET A 58 2.009 -10.846 -1.995 1.00 0.23 C ATOM 850 O MET A 58 2.258 -10.725 -3.194 1.00 0.29 O ATOM 851 CB MET A 58 3.753 -12.529 -1.489 1.00 0.29 C ATOM 852 CG MET A 58 4.016 -13.835 -2.239 1.00 0.42 C ATOM 853 SD MET A 58 3.186 -13.938 -3.842 1.00 1.78 S ATOM 854 CE MET A 58 3.532 -15.637 -4.289 1.00 1.53 C ATOM 0 H MET A 58 1.344 -13.251 -2.784 1.00 0.27 H new ATOM 0 HA MET A 58 2.106 -12.055 -0.202 1.00 0.25 H new ATOM 0 HB2 MET A 58 4.236 -11.718 -2.034 1.00 0.29 H new ATOM 0 HB3 MET A 58 4.237 -12.591 -0.514 1.00 0.29 H new ATOM 0 HG2 MET A 58 5.090 -13.947 -2.389 1.00 0.42 H new ATOM 0 HG3 MET A 58 3.692 -14.671 -1.619 1.00 0.42 H new ATOM 0 HE1 MET A 58 3.377 -15.770 -5.360 1.00 1.53 H new ATOM 0 HE2 MET A 58 4.566 -15.876 -4.039 1.00 1.53 H new ATOM 0 HE3 MET A 58 2.864 -16.301 -3.740 1.00 1.53 H new ATOM 864 N MET A 59 1.497 -9.865 -1.278 1.00 0.20 N ATOM 865 CA MET A 59 1.137 -8.598 -1.893 1.00 0.21 C ATOM 866 C MET A 59 1.133 -7.462 -0.880 1.00 0.18 C ATOM 867 O MET A 59 0.833 -7.666 0.294 1.00 0.26 O ATOM 868 CB MET A 59 -0.232 -8.716 -2.554 1.00 0.27 C ATOM 869 CG MET A 59 -0.206 -8.528 -4.061 1.00 0.64 C ATOM 870 SD MET A 59 -1.801 -8.867 -4.832 1.00 1.30 S ATOM 871 CE MET A 59 -2.052 -10.580 -4.364 1.00 0.62 C ATOM 0 H MET A 59 1.321 -9.918 -0.275 1.00 0.20 H new ATOM 0 HA MET A 59 1.889 -8.365 -2.647 1.00 0.21 H new ATOM 0 HB2 MET A 59 -0.651 -9.696 -2.327 1.00 0.27 H new ATOM 0 HB3 MET A 59 -0.901 -7.975 -2.117 1.00 0.27 H new ATOM 0 HG2 MET A 59 0.094 -7.505 -4.290 1.00 0.64 H new ATOM 0 HG3 MET A 59 0.549 -9.186 -4.492 1.00 0.64 H new ATOM 0 HE1 MET A 59 -2.728 -11.056 -5.074 1.00 0.62 H new ATOM 0 HE2 MET A 59 -1.095 -11.102 -4.368 1.00 0.62 H new ATOM 0 HE3 MET A 59 -2.485 -10.624 -3.365 1.00 0.62 H new ATOM 881 N LEU A 60 1.467 -6.274 -1.355 1.00 0.12 N ATOM 882 CA LEU A 60 1.440 -5.059 -0.554 1.00 0.10 C ATOM 883 C LEU A 60 0.426 -4.063 -1.127 1.00 0.10 C ATOM 884 O LEU A 60 0.124 -4.100 -2.321 1.00 0.13 O ATOM 885 CB LEU A 60 2.817 -4.406 -0.564 1.00 0.13 C ATOM 886 CG LEU A 60 3.505 -4.336 0.789 1.00 0.11 C ATOM 887 CD1 LEU A 60 4.310 -5.584 1.067 1.00 0.12 C ATOM 888 CD2 LEU A 60 4.397 -3.128 0.864 1.00 0.14 C ATOM 0 H LEU A 60 1.768 -6.123 -2.318 1.00 0.12 H new ATOM 0 HA LEU A 60 1.155 -5.325 0.464 1.00 0.10 H new ATOM 0 HB2 LEU A 60 3.458 -4.956 -1.253 1.00 0.13 H new ATOM 0 HB3 LEU A 60 2.720 -3.394 -0.958 1.00 0.13 H new ATOM 0 HG LEU A 60 2.727 -4.257 1.548 1.00 0.11 H new ATOM 0 HD11 LEU A 60 4.788 -5.499 2.043 1.00 0.12 H new ATOM 0 HD12 LEU A 60 3.650 -6.452 1.061 1.00 0.12 H new ATOM 0 HD13 LEU A 60 5.073 -5.703 0.298 1.00 0.12 H new ATOM 0 HD21 LEU A 60 4.882 -3.094 1.840 1.00 0.14 H new ATOM 0 HD22 LEU A 60 5.156 -3.187 0.084 1.00 0.14 H new ATOM 0 HD23 LEU A 60 3.801 -2.226 0.723 1.00 0.14 H new ATOM 900 N ARG A 61 -0.090 -3.172 -0.286 1.00 0.10 N ATOM 901 CA ARG A 61 -0.920 -2.061 -0.755 1.00 0.11 C ATOM 902 C ARG A 61 -0.796 -0.854 0.183 1.00 0.11 C ATOM 903 O ARG A 61 -1.218 -0.903 1.329 1.00 0.11 O ATOM 904 CB ARG A 61 -2.395 -2.473 -0.901 1.00 0.16 C ATOM 905 CG ARG A 61 -3.296 -1.336 -1.354 1.00 0.32 C ATOM 906 CD ARG A 61 -4.765 -1.640 -1.101 1.00 0.56 C ATOM 907 NE ARG A 61 -5.403 -2.368 -2.196 1.00 1.35 N ATOM 908 CZ ARG A 61 -6.521 -3.087 -2.058 1.00 1.67 C ATOM 909 NH1 ARG A 61 -7.053 -3.291 -0.857 1.00 1.46 N ATOM 910 NH2 ARG A 61 -7.103 -3.615 -3.125 1.00 2.72 N ATOM 0 H ARG A 61 0.050 -3.195 0.724 1.00 0.10 H new ATOM 0 HA ARG A 61 -0.553 -1.778 -1.742 1.00 0.11 H new ATOM 0 HB2 ARG A 61 -2.467 -3.291 -1.617 1.00 0.16 H new ATOM 0 HB3 ARG A 61 -2.755 -2.853 0.055 1.00 0.16 H new ATOM 0 HG2 ARG A 61 -3.019 -0.422 -0.829 1.00 0.32 H new ATOM 0 HG3 ARG A 61 -3.141 -1.152 -2.417 1.00 0.32 H new ATOM 0 HD2 ARG A 61 -4.855 -2.224 -0.185 1.00 0.56 H new ATOM 0 HD3 ARG A 61 -5.299 -0.704 -0.937 1.00 0.56 H new ATOM 0 HE ARG A 61 -4.970 -2.325 -3.119 1.00 1.35 H new ATOM 0 HH11 ARG A 61 -6.608 -2.897 -0.028 1.00 1.46 H new ATOM 0 HH12 ARG A 61 -7.907 -3.841 -0.764 1.00 1.46 H new ATOM 0 HH21 ARG A 61 -6.698 -3.472 -4.050 1.00 2.72 H new ATOM 0 HH22 ARG A 61 -7.956 -4.164 -3.021 1.00 2.72 H new ATOM 924 N LEU A 62 -0.223 0.227 -0.324 1.00 0.11 N ATOM 925 CA LEU A 62 -0.033 1.451 0.447 1.00 0.11 C ATOM 926 C LEU A 62 -1.216 2.403 0.243 1.00 0.15 C ATOM 927 O LEU A 62 -1.415 2.943 -0.839 1.00 0.19 O ATOM 928 CB LEU A 62 1.302 2.102 0.054 1.00 0.12 C ATOM 929 CG LEU A 62 2.496 1.586 0.864 1.00 0.20 C ATOM 930 CD1 LEU A 62 3.815 1.822 0.155 1.00 0.90 C ATOM 931 CD2 LEU A 62 2.536 2.246 2.222 1.00 0.86 C ATOM 0 H LEU A 62 0.124 0.283 -1.281 1.00 0.11 H new ATOM 0 HA LEU A 62 0.006 1.212 1.510 1.00 0.11 H new ATOM 0 HB2 LEU A 62 1.487 1.922 -1.005 1.00 0.12 H new ATOM 0 HB3 LEU A 62 1.223 3.181 0.185 1.00 0.12 H new ATOM 0 HG LEU A 62 2.360 0.510 0.977 1.00 0.20 H new ATOM 0 HD11 LEU A 62 4.631 1.440 0.768 1.00 0.90 H new ATOM 0 HD12 LEU A 62 3.809 1.306 -0.805 1.00 0.90 H new ATOM 0 HD13 LEU A 62 3.954 2.891 -0.008 1.00 0.90 H new ATOM 0 HD21 LEU A 62 3.390 1.869 2.785 1.00 0.86 H new ATOM 0 HD22 LEU A 62 2.630 3.325 2.100 1.00 0.86 H new ATOM 0 HD23 LEU A 62 1.617 2.021 2.763 1.00 0.86 H new ATOM 943 N ILE A 63 -1.981 2.605 1.304 1.00 0.17 N ATOM 944 CA ILE A 63 -3.235 3.358 1.263 1.00 0.23 C ATOM 945 C ILE A 63 -2.971 4.847 1.461 1.00 0.21 C ATOM 946 O ILE A 63 -2.592 5.251 2.545 1.00 0.25 O ATOM 947 CB ILE A 63 -4.172 2.919 2.422 1.00 0.30 C ATOM 948 CG1 ILE A 63 -4.085 1.410 2.677 1.00 0.30 C ATOM 949 CG2 ILE A 63 -5.612 3.331 2.154 1.00 0.40 C ATOM 950 CD1 ILE A 63 -4.503 0.562 1.507 1.00 0.33 C ATOM 0 H ILE A 63 -1.750 2.248 2.231 1.00 0.17 H new ATOM 0 HA ILE A 63 -3.693 3.166 0.293 1.00 0.23 H new ATOM 0 HB ILE A 63 -3.831 3.432 3.321 1.00 0.30 H new ATOM 0 HG12 ILE A 63 -3.060 1.157 2.947 1.00 0.30 H new ATOM 0 HG13 ILE A 63 -4.711 1.161 3.534 1.00 0.30 H new ATOM 0 HG21 ILE A 63 -6.243 3.010 2.983 1.00 0.40 H new ATOM 0 HG22 ILE A 63 -5.668 4.415 2.055 1.00 0.40 H new ATOM 0 HG23 ILE A 63 -5.959 2.864 1.232 1.00 0.40 H new ATOM 0 HD11 ILE A 63 -4.412 -0.492 1.770 1.00 0.33 H new ATOM 0 HD12 ILE A 63 -5.539 0.783 1.249 1.00 0.33 H new ATOM 0 HD13 ILE A 63 -3.862 0.779 0.653 1.00 0.33 H new ATOM 962 N GLY A 64 -3.179 5.658 0.433 1.00 0.27 N ATOM 963 CA GLY A 64 -2.989 7.092 0.581 1.00 0.30 C ATOM 964 C GLY A 64 -4.169 7.750 1.271 1.00 0.35 C ATOM 965 O GLY A 64 -5.292 7.265 1.167 1.00 0.48 O ATOM 0 H GLY A 64 -3.474 5.354 -0.495 1.00 0.27 H new ATOM 0 HA2 GLY A 64 -2.081 7.281 1.154 1.00 0.30 H new ATOM 0 HA3 GLY A 64 -2.845 7.543 -0.401 1.00 0.30 H new ATOM 969 N LYS A 65 -3.917 8.840 1.991 1.00 0.30 N ATOM 970 CA LYS A 65 -4.983 9.569 2.671 1.00 0.33 C ATOM 971 C LYS A 65 -5.964 10.149 1.667 1.00 0.38 C ATOM 972 O LYS A 65 -5.566 10.780 0.690 1.00 0.41 O ATOM 973 CB LYS A 65 -4.441 10.720 3.523 1.00 0.34 C ATOM 974 CG LYS A 65 -3.908 10.320 4.892 1.00 0.36 C ATOM 975 CD LYS A 65 -2.549 9.669 4.818 1.00 0.40 C ATOM 976 CE LYS A 65 -1.808 9.760 6.145 1.00 0.43 C ATOM 977 NZ LYS A 65 -1.363 11.143 6.455 1.00 1.15 N ATOM 0 H LYS A 65 -2.986 9.237 2.118 1.00 0.30 H new ATOM 0 HA LYS A 65 -5.481 8.848 3.319 1.00 0.33 H new ATOM 0 HB2 LYS A 65 -3.642 11.215 2.970 1.00 0.34 H new ATOM 0 HB3 LYS A 65 -5.235 11.454 3.661 1.00 0.34 H new ATOM 0 HG2 LYS A 65 -3.849 11.204 5.527 1.00 0.36 H new ATOM 0 HG3 LYS A 65 -4.610 9.634 5.365 1.00 0.36 H new ATOM 0 HD2 LYS A 65 -2.662 8.622 4.535 1.00 0.40 H new ATOM 0 HD3 LYS A 65 -1.958 10.148 4.038 1.00 0.40 H new ATOM 0 HE2 LYS A 65 -2.457 9.403 6.945 1.00 0.43 H new ATOM 0 HE3 LYS A 65 -0.941 9.100 6.119 1.00 0.43 H new ATOM 0 HZ1 LYS A 65 -1.422 11.305 7.481 1.00 1.15 H new ATOM 0 HZ2 LYS A 65 -0.380 11.270 6.140 1.00 1.15 H new ATOM 0 HZ3 LYS A 65 -1.975 11.824 5.961 1.00 1.15 H new ATOM 991 N VAL A 66 -7.240 9.943 1.923 1.00 0.42 N ATOM 992 CA VAL A 66 -8.281 10.519 1.092 1.00 0.51 C ATOM 993 C VAL A 66 -8.663 11.880 1.643 1.00 0.57 C ATOM 994 O VAL A 66 -8.430 12.172 2.819 1.00 0.61 O ATOM 995 CB VAL A 66 -9.525 9.605 1.026 1.00 0.57 C ATOM 996 CG1 VAL A 66 -10.167 9.450 2.394 1.00 0.58 C ATOM 997 CG2 VAL A 66 -10.539 10.108 0.007 1.00 0.69 C ATOM 0 H VAL A 66 -7.583 9.380 2.701 1.00 0.42 H new ATOM 0 HA VAL A 66 -7.895 10.623 0.078 1.00 0.51 H new ATOM 0 HB VAL A 66 -9.186 8.623 0.697 1.00 0.57 H new ATOM 0 HG11 VAL A 66 -11.040 8.802 2.315 1.00 0.58 H new ATOM 0 HG12 VAL A 66 -9.449 9.009 3.085 1.00 0.58 H new ATOM 0 HG13 VAL A 66 -10.474 10.428 2.765 1.00 0.58 H new ATOM 0 HG21 VAL A 66 -11.400 9.439 -0.011 1.00 0.69 H new ATOM 0 HG22 VAL A 66 -10.865 11.111 0.282 1.00 0.69 H new ATOM 0 HG23 VAL A 66 -10.080 10.134 -0.981 1.00 0.69 H new ATOM 1294 N GLN A 85 -7.036 6.769 -2.463 1.00 0.51 N ATOM 1295 CA GLN A 85 -6.168 6.281 -3.522 1.00 0.52 C ATOM 1296 C GLN A 85 -5.052 5.446 -2.926 1.00 0.43 C ATOM 1297 O GLN A 85 -4.234 5.923 -2.148 1.00 0.54 O ATOM 1298 CB GLN A 85 -5.620 7.427 -4.401 1.00 0.62 C ATOM 1299 CG GLN A 85 -5.623 8.812 -3.756 1.00 0.85 C ATOM 1300 CD GLN A 85 -4.544 9.014 -2.704 1.00 0.87 C ATOM 1301 OE1 GLN A 85 -3.385 8.407 -2.898 1.00 1.78 O flip ATOM 1302 NE2 GLN A 85 -4.746 9.744 -1.737 1.00 0.97 N flip ATOM 0 HA GLN A 85 -6.760 5.650 -4.185 1.00 0.52 H new ATOM 0 HB2 GLN A 85 -4.598 7.182 -4.690 1.00 0.62 H new ATOM 0 HB3 GLN A 85 -6.208 7.471 -5.318 1.00 0.62 H new ATOM 0 HG2 GLN A 85 -5.499 9.563 -4.536 1.00 0.85 H new ATOM 0 HG3 GLN A 85 -6.597 8.985 -3.299 1.00 0.85 H new ATOM 0 HE21 GLN A 85 -5.653 10.196 -1.620 1.00 0.97 H new ATOM 0 HE22 GLN A 85 -4.007 9.898 -1.051 1.00 0.97 H new ATOM 1311 N ARG A 86 -5.056 4.175 -3.261 1.00 0.31 N ATOM 1312 CA ARG A 86 -4.131 3.245 -2.662 1.00 0.27 C ATOM 1313 C ARG A 86 -3.203 2.673 -3.717 1.00 0.26 C ATOM 1314 O ARG A 86 -3.625 2.370 -4.834 1.00 0.40 O ATOM 1315 CB ARG A 86 -4.904 2.124 -1.970 1.00 0.36 C ATOM 1316 CG ARG A 86 -6.169 2.617 -1.288 1.00 0.72 C ATOM 1317 CD ARG A 86 -7.119 1.479 -0.957 1.00 0.54 C ATOM 1318 NE ARG A 86 -7.633 0.841 -2.167 1.00 1.21 N ATOM 1319 CZ ARG A 86 -8.418 -0.234 -2.175 1.00 1.48 C ATOM 1320 NH1 ARG A 86 -8.812 -0.787 -1.033 1.00 1.48 N ATOM 1321 NH2 ARG A 86 -8.827 -0.744 -3.331 1.00 2.29 N ATOM 0 H ARG A 86 -5.691 3.764 -3.945 1.00 0.31 H new ATOM 0 HA ARG A 86 -3.528 3.770 -1.921 1.00 0.27 H new ATOM 0 HB2 ARG A 86 -5.166 1.362 -2.704 1.00 0.36 H new ATOM 0 HB3 ARG A 86 -4.260 1.647 -1.231 1.00 0.36 H new ATOM 0 HG2 ARG A 86 -5.904 3.146 -0.372 1.00 0.72 H new ATOM 0 HG3 ARG A 86 -6.674 3.334 -1.936 1.00 0.72 H new ATOM 0 HD2 ARG A 86 -6.603 0.739 -0.346 1.00 0.54 H new ATOM 0 HD3 ARG A 86 -7.951 1.859 -0.363 1.00 0.54 H new ATOM 0 HE ARG A 86 -7.373 1.247 -3.066 1.00 1.21 H new ATOM 0 HH11 ARG A 86 -8.513 -0.388 -0.143 1.00 1.48 H new ATOM 0 HH12 ARG A 86 -9.414 -1.611 -1.046 1.00 1.48 H new ATOM 0 HH21 ARG A 86 -8.540 -0.312 -4.209 1.00 2.29 H new ATOM 0 HH22 ARG A 86 -9.429 -1.568 -3.341 1.00 2.29 H new ATOM 1335 N HIS A 87 -1.949 2.524 -3.349 1.00 0.19 N ATOM 1336 CA HIS A 87 -0.926 2.049 -4.259 1.00 0.18 C ATOM 1337 C HIS A 87 -0.621 0.590 -3.950 1.00 0.15 C ATOM 1338 O HIS A 87 -0.044 0.284 -2.912 1.00 0.14 O ATOM 1339 CB HIS A 87 0.347 2.886 -4.081 1.00 0.21 C ATOM 1340 CG HIS A 87 0.111 4.369 -4.051 1.00 0.28 C ATOM 1341 ND1 HIS A 87 0.043 5.154 -5.179 1.00 0.41 N ATOM 1342 CD2 HIS A 87 -0.060 5.211 -3.003 1.00 0.36 C ATOM 1343 CE1 HIS A 87 -0.154 6.412 -4.825 1.00 0.50 C ATOM 1344 NE2 HIS A 87 -0.220 6.473 -3.511 1.00 0.47 N ATOM 0 H HIS A 87 -1.608 2.729 -2.410 1.00 0.19 H new ATOM 0 HA HIS A 87 -1.278 2.141 -5.286 1.00 0.18 H new ATOM 0 HB2 HIS A 87 0.837 2.589 -3.154 1.00 0.21 H new ATOM 0 HB3 HIS A 87 1.036 2.656 -4.894 1.00 0.21 H new ATOM 0 HD2 HIS A 87 -0.069 4.937 -1.958 1.00 0.36 H new ATOM 0 HE1 HIS A 87 -0.246 7.250 -5.500 1.00 0.50 H new ATOM 0 HE2 HIS A 87 -0.366 7.320 -2.962 1.00 0.47 H new ATOM 1353 N MET A 88 -0.986 -0.306 -4.847 1.00 0.16 N ATOM 1354 CA MET A 88 -0.795 -1.729 -4.607 1.00 0.15 C ATOM 1355 C MET A 88 0.405 -2.249 -5.380 1.00 0.20 C ATOM 1356 O MET A 88 0.557 -1.968 -6.568 1.00 0.30 O ATOM 1357 CB MET A 88 -2.049 -2.524 -4.983 1.00 0.20 C ATOM 1358 CG MET A 88 -1.842 -4.034 -4.929 1.00 0.23 C ATOM 1359 SD MET A 88 -3.259 -4.965 -5.548 1.00 0.32 S ATOM 1360 CE MET A 88 -4.337 -4.945 -4.120 1.00 0.42 C ATOM 0 H MET A 88 -1.414 -0.079 -5.744 1.00 0.16 H new ATOM 0 HA MET A 88 -0.609 -1.864 -3.541 1.00 0.15 H new ATOM 0 HB2 MET A 88 -2.860 -2.251 -4.308 1.00 0.20 H new ATOM 0 HB3 MET A 88 -2.362 -2.242 -5.988 1.00 0.20 H new ATOM 0 HG2 MET A 88 -0.960 -4.295 -5.514 1.00 0.23 H new ATOM 0 HG3 MET A 88 -1.641 -4.331 -3.900 1.00 0.23 H new ATOM 0 HE1 MET A 88 -4.380 -5.943 -3.683 1.00 0.42 H new ATOM 0 HE2 MET A 88 -3.951 -4.242 -3.382 1.00 0.42 H new ATOM 0 HE3 MET A 88 -5.338 -4.638 -4.424 1.00 0.42 H new ATOM 1370 N PHE A 89 1.259 -2.998 -4.700 1.00 0.18 N ATOM 1371 CA PHE A 89 2.409 -3.598 -5.332 1.00 0.28 C ATOM 1372 C PHE A 89 2.426 -5.091 -5.044 1.00 0.31 C ATOM 1373 O PHE A 89 2.404 -5.511 -3.886 1.00 0.43 O ATOM 1374 CB PHE A 89 3.692 -2.943 -4.835 1.00 0.34 C ATOM 1375 CG PHE A 89 3.781 -1.481 -5.163 1.00 0.57 C ATOM 1376 CD1 PHE A 89 3.238 -0.540 -4.312 1.00 0.93 C ATOM 1377 CD2 PHE A 89 4.419 -1.051 -6.311 1.00 0.81 C ATOM 1378 CE1 PHE A 89 3.327 0.810 -4.599 1.00 1.26 C ATOM 1379 CE2 PHE A 89 4.508 0.295 -6.605 1.00 1.17 C ATOM 1380 CZ PHE A 89 3.961 1.226 -5.749 1.00 1.33 C ATOM 0 H PHE A 89 1.171 -3.202 -3.705 1.00 0.18 H new ATOM 0 HA PHE A 89 2.346 -3.444 -6.409 1.00 0.28 H new ATOM 0 HB2 PHE A 89 3.761 -3.070 -3.755 1.00 0.34 H new ATOM 0 HB3 PHE A 89 4.547 -3.459 -5.272 1.00 0.34 H new ATOM 0 HD1 PHE A 89 2.737 -0.862 -3.411 1.00 0.93 H new ATOM 0 HD2 PHE A 89 4.852 -1.775 -6.985 1.00 0.81 H new ATOM 0 HE1 PHE A 89 2.900 1.536 -3.923 1.00 1.26 H new ATOM 0 HE2 PHE A 89 5.007 0.618 -7.507 1.00 1.17 H new ATOM 0 HZ PHE A 89 4.029 2.279 -5.979 1.00 1.33 H new ATOM 1390 N SER A 90 2.454 -5.889 -6.089 1.00 0.26 N ATOM 1391 CA SER A 90 2.427 -7.326 -5.943 1.00 0.26 C ATOM 1392 C SER A 90 3.836 -7.881 -5.879 1.00 0.23 C ATOM 1393 O SER A 90 4.681 -7.549 -6.705 1.00 0.24 O ATOM 1394 CB SER A 90 1.659 -7.959 -7.104 1.00 0.28 C ATOM 1395 OG SER A 90 0.328 -7.473 -7.163 1.00 0.94 O ATOM 0 H SER A 90 2.496 -5.563 -7.055 1.00 0.26 H new ATOM 0 HA SER A 90 1.919 -7.571 -5.010 1.00 0.26 H new ATOM 0 HB2 SER A 90 2.170 -7.743 -8.042 1.00 0.28 H new ATOM 0 HB3 SER A 90 1.649 -9.043 -6.989 1.00 0.28 H new ATOM 0 HG SER A 90 -0.244 -8.013 -6.578 1.00 0.94 H new ATOM 1401 N PHE A 91 4.083 -8.717 -4.894 1.00 0.21 N ATOM 1402 CA PHE A 91 5.368 -9.383 -4.769 1.00 0.21 C ATOM 1403 C PHE A 91 5.230 -10.854 -5.113 1.00 0.23 C ATOM 1404 O PHE A 91 4.128 -11.343 -5.354 1.00 0.28 O ATOM 1405 CB PHE A 91 5.934 -9.234 -3.353 1.00 0.30 C ATOM 1406 CG PHE A 91 6.629 -7.923 -3.122 1.00 0.63 C ATOM 1407 CD1 PHE A 91 7.831 -7.656 -3.748 1.00 0.91 C ATOM 1408 CD2 PHE A 91 6.094 -6.969 -2.279 1.00 0.99 C ATOM 1409 CE1 PHE A 91 8.487 -6.461 -3.541 1.00 1.20 C ATOM 1410 CE2 PHE A 91 6.748 -5.773 -2.067 1.00 1.29 C ATOM 1411 CZ PHE A 91 7.944 -5.518 -2.700 1.00 1.33 C ATOM 0 H PHE A 91 3.411 -8.954 -4.164 1.00 0.21 H new ATOM 0 HA PHE A 91 6.060 -8.911 -5.467 1.00 0.21 H new ATOM 0 HB2 PHE A 91 5.122 -9.338 -2.633 1.00 0.30 H new ATOM 0 HB3 PHE A 91 6.635 -10.047 -3.163 1.00 0.30 H new ATOM 0 HD1 PHE A 91 8.263 -8.393 -4.409 1.00 0.91 H new ATOM 0 HD2 PHE A 91 5.155 -7.161 -1.781 1.00 0.99 H new ATOM 0 HE1 PHE A 91 9.426 -6.266 -4.038 1.00 1.20 H new ATOM 0 HE2 PHE A 91 6.321 -5.035 -1.403 1.00 1.29 H new ATOM 0 HZ PHE A 91 8.454 -4.580 -2.537 1.00 1.33 H new ATOM 1421 N ASN A 92 6.356 -11.546 -5.164 1.00 0.31 N ATOM 1422 CA ASN A 92 6.366 -12.953 -5.512 1.00 0.39 C ATOM 1423 C ASN A 92 6.892 -13.761 -4.345 1.00 0.35 C ATOM 1424 O ASN A 92 6.939 -14.989 -4.390 1.00 0.42 O ATOM 1425 CB ASN A 92 7.233 -13.196 -6.751 1.00 0.51 C ATOM 1426 CG ASN A 92 6.725 -12.462 -7.980 1.00 0.80 C ATOM 1427 OD1 ASN A 92 5.523 -12.233 -8.138 1.00 1.53 O ATOM 1428 ND2 ASN A 92 7.640 -12.086 -8.859 1.00 1.27 N ATOM 0 H ASN A 92 7.277 -11.153 -4.968 1.00 0.31 H new ATOM 0 HA ASN A 92 5.347 -13.266 -5.739 1.00 0.39 H new ATOM 0 HB2 ASN A 92 8.255 -12.879 -6.541 1.00 0.51 H new ATOM 0 HB3 ASN A 92 7.267 -14.265 -6.961 1.00 0.51 H new ATOM 0 HD21 ASN A 92 7.361 -11.588 -9.704 1.00 1.27 H new ATOM 0 HD22 ASN A 92 8.624 -12.295 -8.691 1.00 1.27 H new ATOM 1435 N ASN A 93 7.289 -13.058 -3.295 1.00 0.30 N ATOM 1436 CA ASN A 93 7.799 -13.699 -2.101 1.00 0.32 C ATOM 1437 C ASN A 93 7.235 -13.027 -0.864 1.00 0.28 C ATOM 1438 O ASN A 93 7.269 -11.799 -0.739 1.00 0.23 O ATOM 1439 CB ASN A 93 9.323 -13.630 -2.101 1.00 0.37 C ATOM 1440 CG ASN A 93 9.944 -14.291 -0.887 1.00 0.44 C ATOM 1441 OD1 ASN A 93 10.225 -13.631 0.109 1.00 0.71 O ATOM 1442 ND2 ASN A 93 10.141 -15.595 -0.953 1.00 0.83 N ATOM 0 H ASN A 93 7.266 -12.039 -3.250 1.00 0.30 H new ATOM 0 HA ASN A 93 7.490 -14.744 -2.091 1.00 0.32 H new ATOM 0 HB2 ASN A 93 9.703 -14.109 -3.003 1.00 0.37 H new ATOM 0 HB3 ASN A 93 9.634 -12.586 -2.139 1.00 0.37 H new ATOM 0 HD21 ASN A 93 10.541 -16.091 -0.157 1.00 0.83 H new ATOM 0 HD22 ASN A 93 9.893 -16.106 -1.800 1.00 0.83 H new ATOM 1449 N ARG A 94 6.716 -13.838 0.050 1.00 0.34 N ATOM 1450 CA ARG A 94 6.029 -13.318 1.219 1.00 0.37 C ATOM 1451 C ARG A 94 7.027 -12.749 2.216 1.00 0.30 C ATOM 1452 O ARG A 94 6.687 -11.872 3.001 1.00 0.27 O ATOM 1453 CB ARG A 94 5.146 -14.396 1.860 1.00 0.57 C ATOM 1454 CG ARG A 94 4.025 -13.829 2.720 1.00 0.90 C ATOM 1455 CD ARG A 94 4.481 -13.588 4.139 1.00 0.71 C ATOM 1456 NE ARG A 94 3.583 -12.693 4.868 1.00 0.99 N ATOM 1457 CZ ARG A 94 3.752 -12.350 6.142 1.00 1.35 C ATOM 1458 NH1 ARG A 94 4.729 -12.900 6.854 1.00 2.16 N ATOM 1459 NH2 ARG A 94 2.932 -11.472 6.707 1.00 1.70 N ATOM 0 H ARG A 94 6.759 -14.856 0.002 1.00 0.34 H new ATOM 0 HA ARG A 94 5.375 -12.506 0.902 1.00 0.37 H new ATOM 0 HB2 ARG A 94 4.713 -15.015 1.074 1.00 0.57 H new ATOM 0 HB3 ARG A 94 5.769 -15.048 2.472 1.00 0.57 H new ATOM 0 HG2 ARG A 94 3.671 -12.893 2.287 1.00 0.90 H new ATOM 0 HG3 ARG A 94 3.181 -14.519 2.721 1.00 0.90 H new ATOM 0 HD2 ARG A 94 4.545 -14.541 4.664 1.00 0.71 H new ATOM 0 HD3 ARG A 94 5.484 -13.162 4.128 1.00 0.71 H new ATOM 0 HE ARG A 94 2.780 -12.309 4.370 1.00 0.99 H new ATOM 0 HH11 ARG A 94 5.350 -13.585 6.424 1.00 2.16 H new ATOM 0 HH12 ARG A 94 4.858 -12.637 7.831 1.00 2.16 H new ATOM 0 HH21 ARG A 94 2.173 -11.061 6.164 1.00 1.70 H new ATOM 0 HH22 ARG A 94 3.061 -11.209 7.684 1.00 1.70 H new ATOM 1473 N THR A 95 8.264 -13.216 2.159 1.00 0.30 N ATOM 1474 CA THR A 95 9.300 -12.695 3.033 1.00 0.27 C ATOM 1475 C THR A 95 9.697 -11.286 2.603 1.00 0.21 C ATOM 1476 O THR A 95 9.793 -10.380 3.423 1.00 0.18 O ATOM 1477 CB THR A 95 10.542 -13.596 3.035 1.00 0.32 C ATOM 1478 OG1 THR A 95 10.221 -14.879 3.588 1.00 0.40 O ATOM 1479 CG2 THR A 95 11.661 -12.946 3.823 1.00 0.32 C ATOM 0 H THR A 95 8.573 -13.950 1.521 1.00 0.30 H new ATOM 0 HA THR A 95 8.892 -12.669 4.043 1.00 0.27 H new ATOM 0 HB THR A 95 10.877 -13.734 2.007 1.00 0.32 H new ATOM 0 HG1 THR A 95 11.020 -15.447 3.583 1.00 0.40 H new ATOM 0 HG21 THR A 95 12.536 -13.596 3.816 1.00 0.32 H new ATOM 0 HG22 THR A 95 11.917 -11.988 3.369 1.00 0.32 H new ATOM 0 HG23 THR A 95 11.336 -12.785 4.851 1.00 0.32 H new ATOM 1487 N VAL A 96 9.945 -11.122 1.312 1.00 0.23 N ATOM 1488 CA VAL A 96 10.220 -9.809 0.741 1.00 0.21 C ATOM 1489 C VAL A 96 9.113 -8.845 1.038 1.00 0.19 C ATOM 1490 O VAL A 96 9.334 -7.795 1.615 1.00 0.19 O ATOM 1491 CB VAL A 96 10.383 -9.866 -0.784 1.00 0.25 C ATOM 1492 CG1 VAL A 96 10.573 -8.461 -1.345 1.00 0.28 C ATOM 1493 CG2 VAL A 96 11.554 -10.759 -1.157 1.00 0.29 C ATOM 0 H VAL A 96 9.962 -11.885 0.636 1.00 0.23 H new ATOM 0 HA VAL A 96 11.151 -9.476 1.199 1.00 0.21 H new ATOM 0 HB VAL A 96 9.479 -10.291 -1.220 1.00 0.25 H new ATOM 0 HG11 VAL A 96 10.688 -8.514 -2.428 1.00 0.28 H new ATOM 0 HG12 VAL A 96 9.703 -7.851 -1.102 1.00 0.28 H new ATOM 0 HG13 VAL A 96 11.465 -8.012 -0.907 1.00 0.28 H new ATOM 0 HG21 VAL A 96 11.657 -10.790 -2.242 1.00 0.29 H new ATOM 0 HG22 VAL A 96 12.469 -10.362 -0.717 1.00 0.29 H new ATOM 0 HG23 VAL A 96 11.377 -11.767 -0.781 1.00 0.29 H new ATOM 1503 N MET A 97 7.918 -9.190 0.640 1.00 0.19 N ATOM 1504 CA MET A 97 6.813 -8.307 0.874 1.00 0.19 C ATOM 1505 C MET A 97 6.681 -8.042 2.366 1.00 0.17 C ATOM 1506 O MET A 97 6.311 -6.951 2.758 1.00 0.19 O ATOM 1507 CB MET A 97 5.546 -8.880 0.263 1.00 0.21 C ATOM 1508 CG MET A 97 4.970 -10.066 0.992 1.00 0.22 C ATOM 1509 SD MET A 97 3.362 -9.720 1.722 1.00 0.29 S ATOM 1510 CE MET A 97 3.824 -9.288 3.386 1.00 0.17 C ATOM 0 H MET A 97 7.689 -10.061 0.161 1.00 0.19 H new ATOM 0 HA MET A 97 6.989 -7.348 0.387 1.00 0.19 H new ATOM 0 HB2 MET A 97 4.791 -8.094 0.224 1.00 0.21 H new ATOM 0 HB3 MET A 97 5.756 -9.171 -0.766 1.00 0.21 H new ATOM 0 HG2 MET A 97 4.877 -10.903 0.300 1.00 0.22 H new ATOM 0 HG3 MET A 97 5.661 -10.376 1.776 1.00 0.22 H new ATOM 0 HE1 MET A 97 2.960 -9.394 4.043 1.00 0.17 H new ATOM 0 HE2 MET A 97 4.621 -9.949 3.726 1.00 0.17 H new ATOM 0 HE3 MET A 97 4.174 -8.256 3.410 1.00 0.17 H new ATOM 1520 N ASP A 98 7.060 -9.025 3.192 1.00 0.16 N ATOM 1521 CA ASP A 98 7.075 -8.857 4.645 1.00 0.16 C ATOM 1522 C ASP A 98 8.093 -7.814 5.053 1.00 0.15 C ATOM 1523 O ASP A 98 7.832 -6.950 5.891 1.00 0.22 O ATOM 1524 CB ASP A 98 7.449 -10.163 5.329 1.00 0.21 C ATOM 1525 CG ASP A 98 7.488 -10.024 6.839 1.00 0.30 C ATOM 1526 OD1 ASP A 98 6.445 -9.684 7.437 1.00 0.38 O ATOM 1527 OD2 ASP A 98 8.559 -10.270 7.437 1.00 0.39 O ATOM 0 H ASP A 98 7.361 -9.947 2.875 1.00 0.16 H new ATOM 0 HA ASP A 98 6.075 -8.544 4.947 1.00 0.16 H new ATOM 0 HB2 ASP A 98 6.730 -10.935 5.055 1.00 0.21 H new ATOM 0 HB3 ASP A 98 8.424 -10.494 4.970 1.00 0.21 H new ATOM 1532 N ASN A 99 9.249 -7.897 4.441 1.00 0.12 N ATOM 1533 CA ASN A 99 10.368 -7.055 4.816 1.00 0.13 C ATOM 1534 C ASN A 99 10.170 -5.654 4.261 1.00 0.15 C ATOM 1535 O ASN A 99 10.651 -4.669 4.818 1.00 0.24 O ATOM 1536 CB ASN A 99 11.693 -7.715 4.385 1.00 0.22 C ATOM 1537 CG ASN A 99 11.945 -7.836 2.905 1.00 0.71 C ATOM 1538 OD1 ASN A 99 11.748 -6.912 2.122 1.00 1.55 O ATOM 1539 ND2 ASN A 99 12.415 -9.015 2.526 1.00 0.50 N ATOM 0 H ASN A 99 9.444 -8.542 3.676 1.00 0.12 H new ATOM 0 HA ASN A 99 10.419 -6.951 5.900 1.00 0.13 H new ATOM 0 HB2 ASN A 99 12.513 -7.147 4.823 1.00 0.22 H new ATOM 0 HB3 ASN A 99 11.731 -8.714 4.818 1.00 0.22 H new ATOM 0 HD21 ASN A 99 12.630 -9.186 1.544 1.00 0.50 H new ATOM 0 HD22 ASN A 99 12.562 -9.751 3.216 1.00 0.50 H new ATOM 1546 N ILE A 100 9.410 -5.587 3.191 1.00 0.12 N ATOM 1547 CA ILE A 100 8.962 -4.326 2.613 1.00 0.12 C ATOM 1548 C ILE A 100 7.891 -3.663 3.490 1.00 0.11 C ATOM 1549 O ILE A 100 8.057 -2.515 3.910 1.00 0.13 O ATOM 1550 CB ILE A 100 8.384 -4.558 1.202 1.00 0.11 C ATOM 1551 CG1 ILE A 100 9.477 -5.020 0.244 1.00 0.13 C ATOM 1552 CG2 ILE A 100 7.727 -3.297 0.671 1.00 0.12 C ATOM 1553 CD1 ILE A 100 10.500 -3.953 -0.052 1.00 0.11 C ATOM 0 H ILE A 100 9.079 -6.410 2.688 1.00 0.12 H new ATOM 0 HA ILE A 100 9.827 -3.666 2.553 1.00 0.12 H new ATOM 0 HB ILE A 100 7.626 -5.338 1.275 1.00 0.11 H new ATOM 0 HG12 ILE A 100 9.980 -5.888 0.669 1.00 0.13 H new ATOM 0 HG13 ILE A 100 9.019 -5.343 -0.691 1.00 0.13 H new ATOM 0 HG21 ILE A 100 7.327 -3.487 -0.325 1.00 0.12 H new ATOM 0 HG22 ILE A 100 6.916 -3.001 1.337 1.00 0.12 H new ATOM 0 HG23 ILE A 100 8.465 -2.496 0.619 1.00 0.12 H new ATOM 0 HD11 ILE A 100 11.249 -4.347 -0.739 1.00 0.11 H new ATOM 0 HD12 ILE A 100 10.008 -3.093 -0.506 1.00 0.11 H new ATOM 0 HD13 ILE A 100 10.984 -3.646 0.875 1.00 0.11 H new ATOM 1565 N LYS A 101 6.794 -4.381 3.777 1.00 0.11 N ATOM 1566 CA LYS A 101 5.705 -3.827 4.547 1.00 0.12 C ATOM 1567 C LYS A 101 6.176 -3.376 5.926 1.00 0.11 C ATOM 1568 O LYS A 101 5.751 -2.342 6.426 1.00 0.14 O ATOM 1569 CB LYS A 101 4.594 -4.841 4.716 1.00 0.18 C ATOM 1570 CG LYS A 101 5.110 -6.193 5.093 1.00 0.89 C ATOM 1571 CD LYS A 101 4.380 -6.842 6.258 1.00 0.75 C ATOM 1572 CE LYS A 101 5.067 -6.520 7.577 1.00 0.42 C ATOM 1573 NZ LYS A 101 4.975 -7.646 8.543 1.00 1.11 N ATOM 0 H LYS A 101 6.652 -5.346 3.480 1.00 0.11 H new ATOM 0 HA LYS A 101 5.330 -2.964 3.997 1.00 0.12 H new ATOM 0 HB2 LYS A 101 3.901 -4.493 5.482 1.00 0.18 H new ATOM 0 HB3 LYS A 101 4.030 -4.916 3.786 1.00 0.18 H new ATOM 0 HG2 LYS A 101 5.041 -6.850 4.226 1.00 0.89 H new ATOM 0 HG3 LYS A 101 6.167 -6.108 5.345 1.00 0.89 H new ATOM 0 HD2 LYS A 101 3.348 -6.492 6.286 1.00 0.75 H new ATOM 0 HD3 LYS A 101 4.347 -7.922 6.115 1.00 0.75 H new ATOM 0 HE2 LYS A 101 6.115 -6.286 7.392 1.00 0.42 H new ATOM 0 HE3 LYS A 101 4.614 -5.630 8.014 1.00 0.42 H new ATOM 0 HZ1 LYS A 101 5.581 -7.449 9.365 1.00 1.11 H new ATOM 0 HZ2 LYS A 101 3.990 -7.754 8.857 1.00 1.11 H new ATOM 0 HZ3 LYS A 101 5.290 -8.524 8.084 1.00 1.11 H new ATOM 1587 N MET A 102 7.065 -4.161 6.537 1.00 0.09 N ATOM 1588 CA MET A 102 7.529 -3.867 7.885 1.00 0.09 C ATOM 1589 C MET A 102 8.402 -2.625 7.855 1.00 0.09 C ATOM 1590 O MET A 102 8.499 -1.898 8.835 1.00 0.12 O ATOM 1591 CB MET A 102 8.303 -5.050 8.477 1.00 0.10 C ATOM 1592 CG MET A 102 9.674 -5.244 7.867 1.00 0.16 C ATOM 1593 SD MET A 102 10.575 -6.637 8.578 1.00 0.88 S ATOM 1594 CE MET A 102 10.741 -6.093 10.275 1.00 1.17 C ATOM 0 H MET A 102 7.473 -4.998 6.120 1.00 0.09 H new ATOM 0 HA MET A 102 6.662 -3.690 8.522 1.00 0.09 H new ATOM 0 HB2 MET A 102 8.410 -4.902 9.552 1.00 0.10 H new ATOM 0 HB3 MET A 102 7.720 -5.961 8.338 1.00 0.10 H new ATOM 0 HG2 MET A 102 9.569 -5.397 6.793 1.00 0.16 H new ATOM 0 HG3 MET A 102 10.258 -4.334 8.003 1.00 0.16 H new ATOM 0 HE1 MET A 102 11.541 -6.652 10.760 1.00 1.17 H new ATOM 0 HE2 MET A 102 10.978 -5.029 10.295 1.00 1.17 H new ATOM 0 HE3 MET A 102 9.805 -6.266 10.806 1.00 1.17 H new ATOM 1604 N THR A 103 9.027 -2.392 6.713 1.00 0.08 N ATOM 1605 CA THR A 103 9.803 -1.193 6.494 1.00 0.08 C ATOM 1606 C THR A 103 8.889 0.017 6.454 1.00 0.08 C ATOM 1607 O THR A 103 9.075 0.980 7.198 1.00 0.09 O ATOM 1608 CB THR A 103 10.579 -1.296 5.170 1.00 0.10 C ATOM 1609 OG1 THR A 103 11.611 -2.274 5.295 1.00 0.15 O ATOM 1610 CG2 THR A 103 11.180 0.028 4.760 1.00 0.11 C ATOM 0 H THR A 103 9.008 -3.029 5.917 1.00 0.08 H new ATOM 0 HA THR A 103 10.512 -1.082 7.315 1.00 0.08 H new ATOM 0 HB THR A 103 9.873 -1.592 4.394 1.00 0.10 H new ATOM 0 HG1 THR A 103 11.238 -3.166 5.132 1.00 0.15 H new ATOM 0 HG21 THR A 103 11.718 -0.092 3.820 1.00 0.11 H new ATOM 0 HG22 THR A 103 10.386 0.764 4.632 1.00 0.11 H new ATOM 0 HG23 THR A 103 11.870 0.369 5.532 1.00 0.11 H new ATOM 1618 N LEU A 104 7.882 -0.065 5.597 1.00 0.08 N ATOM 1619 CA LEU A 104 6.963 1.037 5.391 1.00 0.09 C ATOM 1620 C LEU A 104 6.150 1.313 6.638 1.00 0.11 C ATOM 1621 O LEU A 104 6.149 2.428 7.135 1.00 0.13 O ATOM 1622 CB LEU A 104 6.014 0.735 4.233 1.00 0.09 C ATOM 1623 CG LEU A 104 6.663 0.473 2.875 1.00 0.09 C ATOM 1624 CD1 LEU A 104 5.787 -0.418 2.029 1.00 0.11 C ATOM 1625 CD2 LEU A 104 6.911 1.767 2.143 1.00 0.11 C ATOM 0 H LEU A 104 7.683 -0.890 5.031 1.00 0.08 H new ATOM 0 HA LEU A 104 7.559 1.919 5.155 1.00 0.09 H new ATOM 0 HB2 LEU A 104 5.416 -0.136 4.500 1.00 0.09 H new ATOM 0 HB3 LEU A 104 5.326 1.574 4.127 1.00 0.09 H new ATOM 0 HG LEU A 104 7.616 -0.025 3.053 1.00 0.09 H new ATOM 0 HD11 LEU A 104 6.267 -0.592 1.066 1.00 0.11 H new ATOM 0 HD12 LEU A 104 5.638 -1.370 2.538 1.00 0.11 H new ATOM 0 HD13 LEU A 104 4.822 0.064 1.871 1.00 0.11 H new ATOM 0 HD21 LEU A 104 7.374 1.557 1.179 1.00 0.11 H new ATOM 0 HD22 LEU A 104 5.964 2.284 1.986 1.00 0.11 H new ATOM 0 HD23 LEU A 104 7.575 2.398 2.734 1.00 0.11 H new ATOM 1637 N GLN A 105 5.448 0.301 7.129 1.00 0.12 N ATOM 1638 CA GLN A 105 4.602 0.458 8.323 1.00 0.18 C ATOM 1639 C GLN A 105 5.357 1.080 9.496 1.00 0.18 C ATOM 1640 O GLN A 105 4.761 1.787 10.306 1.00 0.22 O ATOM 1641 CB GLN A 105 4.009 -0.872 8.775 1.00 0.28 C ATOM 1642 CG GLN A 105 3.107 -1.520 7.749 1.00 0.39 C ATOM 1643 CD GLN A 105 2.382 -2.726 8.287 1.00 0.64 C ATOM 1644 OE1 GLN A 105 1.265 -2.620 8.776 1.00 1.45 O ATOM 1645 NE2 GLN A 105 3.019 -3.877 8.208 1.00 0.99 N ATOM 0 H GLN A 105 5.442 -0.637 6.727 1.00 0.12 H new ATOM 0 HA GLN A 105 3.800 1.132 8.024 1.00 0.18 H new ATOM 0 HB2 GLN A 105 4.821 -1.558 9.015 1.00 0.28 H new ATOM 0 HB3 GLN A 105 3.444 -0.713 9.693 1.00 0.28 H new ATOM 0 HG2 GLN A 105 2.378 -0.789 7.400 1.00 0.39 H new ATOM 0 HG3 GLN A 105 3.701 -1.815 6.884 1.00 0.39 H new ATOM 0 HE21 GLN A 105 3.949 -3.917 7.792 1.00 0.99 H new ATOM 0 HE22 GLN A 105 2.582 -4.727 8.563 1.00 0.99 H new ATOM 1654 N GLN A 106 6.665 0.843 9.578 1.00 0.17 N ATOM 1655 CA GLN A 106 7.459 1.393 10.663 1.00 0.20 C ATOM 1656 C GLN A 106 7.553 2.898 10.511 1.00 0.20 C ATOM 1657 O GLN A 106 7.703 3.640 11.479 1.00 0.36 O ATOM 1658 CB GLN A 106 8.845 0.775 10.660 1.00 0.25 C ATOM 1659 CG GLN A 106 8.953 -0.496 11.483 1.00 0.30 C ATOM 1660 CD GLN A 106 10.363 -1.047 11.520 1.00 0.38 C ATOM 1661 OE1 GLN A 106 11.153 -0.716 12.403 1.00 0.65 O ATOM 1662 NE2 GLN A 106 10.691 -1.888 10.555 1.00 0.47 N ATOM 0 H GLN A 106 7.189 0.278 8.910 1.00 0.17 H new ATOM 0 HA GLN A 106 6.979 1.161 11.614 1.00 0.20 H new ATOM 0 HB2 GLN A 106 9.132 0.556 9.632 1.00 0.25 H new ATOM 0 HB3 GLN A 106 9.559 1.505 11.042 1.00 0.25 H new ATOM 0 HG2 GLN A 106 8.618 -0.295 12.501 1.00 0.30 H new ATOM 0 HG3 GLN A 106 8.283 -1.250 11.070 1.00 0.30 H new ATOM 0 HE21 GLN A 106 10.006 -2.137 9.841 1.00 0.47 H new ATOM 0 HE22 GLN A 106 11.629 -2.288 10.524 1.00 0.47 H new ATOM 1671 N ILE A 107 7.437 3.320 9.270 1.00 0.13 N ATOM 1672 CA ILE A 107 7.420 4.717 8.901 1.00 0.13 C ATOM 1673 C ILE A 107 6.023 5.288 9.084 1.00 0.14 C ATOM 1674 O ILE A 107 5.844 6.404 9.557 1.00 0.17 O ATOM 1675 CB ILE A 107 7.792 4.867 7.415 1.00 0.13 C ATOM 1676 CG1 ILE A 107 9.155 4.231 7.126 1.00 0.13 C ATOM 1677 CG2 ILE A 107 7.752 6.326 7.013 1.00 0.16 C ATOM 1678 CD1 ILE A 107 9.400 3.940 5.661 1.00 0.14 C ATOM 0 H ILE A 107 7.350 2.688 8.474 1.00 0.13 H new ATOM 0 HA ILE A 107 8.133 5.246 9.533 1.00 0.13 H new ATOM 0 HB ILE A 107 7.057 4.334 6.811 1.00 0.13 H new ATOM 0 HG12 ILE A 107 9.939 4.895 7.490 1.00 0.13 H new ATOM 0 HG13 ILE A 107 9.238 3.302 7.689 1.00 0.13 H new ATOM 0 HG21 ILE A 107 8.017 6.421 5.960 1.00 0.16 H new ATOM 0 HG22 ILE A 107 6.748 6.720 7.172 1.00 0.16 H new ATOM 0 HG23 ILE A 107 8.462 6.890 7.618 1.00 0.16 H new ATOM 0 HD11 ILE A 107 10.386 3.491 5.539 1.00 0.14 H new ATOM 0 HD12 ILE A 107 8.639 3.250 5.295 1.00 0.14 H new ATOM 0 HD13 ILE A 107 9.352 4.869 5.093 1.00 0.14 H new ATOM 1690 N ILE A 108 5.035 4.511 8.688 1.00 0.13 N ATOM 1691 CA ILE A 108 3.653 4.956 8.729 1.00 0.17 C ATOM 1692 C ILE A 108 3.188 5.139 10.166 1.00 0.23 C ATOM 1693 O ILE A 108 2.664 6.187 10.524 1.00 0.29 O ATOM 1694 CB ILE A 108 2.750 3.955 7.991 1.00 0.19 C ATOM 1695 CG1 ILE A 108 3.468 3.522 6.713 1.00 0.18 C ATOM 1696 CG2 ILE A 108 1.391 4.570 7.693 1.00 0.26 C ATOM 1697 CD1 ILE A 108 2.569 3.119 5.575 1.00 0.15 C ATOM 0 H ILE A 108 5.163 3.564 8.332 1.00 0.13 H new ATOM 0 HA ILE A 108 3.586 5.921 8.226 1.00 0.17 H new ATOM 0 HB ILE A 108 2.565 3.081 8.615 1.00 0.19 H new ATOM 0 HG12 ILE A 108 4.105 4.341 6.379 1.00 0.18 H new ATOM 0 HG13 ILE A 108 4.124 2.684 6.950 1.00 0.18 H new ATOM 0 HG21 ILE A 108 0.769 3.843 7.170 1.00 0.26 H new ATOM 0 HG22 ILE A 108 0.908 4.855 8.628 1.00 0.26 H new ATOM 0 HG23 ILE A 108 1.521 5.453 7.067 1.00 0.26 H new ATOM 0 HD11 ILE A 108 3.176 2.830 4.717 1.00 0.15 H new ATOM 0 HD12 ILE A 108 1.949 2.276 5.882 1.00 0.15 H new ATOM 0 HD13 ILE A 108 1.930 3.959 5.301 1.00 0.15 H new ATOM 1709 N SER A 109 3.419 4.132 10.994 1.00 0.28 N ATOM 1710 CA SER A 109 3.123 4.219 12.421 1.00 0.37 C ATOM 1711 C SER A 109 3.946 5.333 13.059 1.00 0.37 C ATOM 1712 O SER A 109 3.582 5.889 14.093 1.00 0.43 O ATOM 1713 CB SER A 109 3.420 2.885 13.101 1.00 0.45 C ATOM 1714 OG SER A 109 2.641 1.846 12.534 1.00 1.22 O ATOM 0 H SER A 109 3.813 3.238 10.702 1.00 0.28 H new ATOM 0 HA SER A 109 2.065 4.448 12.549 1.00 0.37 H new ATOM 0 HB2 SER A 109 4.479 2.648 13.000 1.00 0.45 H new ATOM 0 HB3 SER A 109 3.211 2.961 14.168 1.00 0.45 H new ATOM 0 HG SER A 109 3.069 1.528 11.712 1.00 1.22 H new ATOM 1720 N ARG A 110 5.044 5.666 12.402 1.00 0.33 N ATOM 1721 CA ARG A 110 5.904 6.754 12.817 1.00 0.35 C ATOM 1722 C ARG A 110 5.222 8.091 12.535 1.00 0.38 C ATOM 1723 O ARG A 110 5.388 9.056 13.279 1.00 0.48 O ATOM 1724 CB ARG A 110 7.238 6.636 12.070 1.00 0.34 C ATOM 1725 CG ARG A 110 7.834 7.939 11.623 1.00 1.27 C ATOM 1726 CD ARG A 110 9.106 7.686 10.845 1.00 1.25 C ATOM 1727 NE ARG A 110 9.713 8.918 10.347 1.00 2.39 N ATOM 1728 CZ ARG A 110 10.719 8.953 9.477 1.00 2.70 C ATOM 1729 NH1 ARG A 110 11.263 7.824 9.039 1.00 1.97 N ATOM 1730 NH2 ARG A 110 11.186 10.122 9.054 1.00 3.79 N ATOM 0 H ARG A 110 5.363 5.185 11.561 1.00 0.33 H new ATOM 0 HA ARG A 110 6.095 6.701 13.889 1.00 0.35 H new ATOM 0 HB2 ARG A 110 7.955 6.129 12.716 1.00 0.34 H new ATOM 0 HB3 ARG A 110 7.092 6.002 11.196 1.00 0.34 H new ATOM 0 HG2 ARG A 110 7.120 8.481 11.003 1.00 1.27 H new ATOM 0 HG3 ARG A 110 8.046 8.567 12.488 1.00 1.27 H new ATOM 0 HD2 ARG A 110 9.820 7.165 11.483 1.00 1.25 H new ATOM 0 HD3 ARG A 110 8.889 7.027 10.005 1.00 1.25 H new ATOM 0 HE ARG A 110 9.343 9.806 10.687 1.00 2.39 H new ATOM 0 HH11 ARG A 110 10.910 6.926 9.369 1.00 1.97 H new ATOM 0 HH12 ARG A 110 12.034 7.855 8.372 1.00 1.97 H new ATOM 0 HH21 ARG A 110 10.774 10.990 9.396 1.00 3.79 H new ATOM 0 HH22 ARG A 110 11.957 10.152 8.387 1.00 3.79 H new ATOM 1744 N TYR A 111 4.423 8.129 11.475 1.00 0.34 N ATOM 1745 CA TYR A 111 3.761 9.353 11.064 1.00 0.41 C ATOM 1746 C TYR A 111 2.346 9.439 11.617 1.00 0.49 C ATOM 1747 O TYR A 111 1.787 10.526 11.747 1.00 0.60 O ATOM 1748 CB TYR A 111 3.763 9.475 9.547 1.00 0.37 C ATOM 1749 CG TYR A 111 5.042 10.079 9.026 1.00 0.38 C ATOM 1750 CD1 TYR A 111 5.276 11.446 9.104 1.00 0.48 C ATOM 1751 CD2 TYR A 111 6.021 9.277 8.476 1.00 0.34 C ATOM 1752 CE1 TYR A 111 6.457 11.991 8.639 1.00 0.53 C ATOM 1753 CE2 TYR A 111 7.207 9.812 8.010 1.00 0.40 C ATOM 1754 CZ TYR A 111 7.421 11.170 8.093 1.00 0.48 C ATOM 1755 OH TYR A 111 8.598 11.708 7.628 1.00 0.55 O ATOM 0 H TYR A 111 4.220 7.322 10.886 1.00 0.34 H new ATOM 0 HA TYR A 111 4.321 10.191 11.479 1.00 0.41 H new ATOM 0 HB2 TYR A 111 3.622 8.489 9.105 1.00 0.37 H new ATOM 0 HB3 TYR A 111 2.919 10.089 9.232 1.00 0.37 H new ATOM 0 HD1 TYR A 111 4.524 12.091 9.534 1.00 0.48 H new ATOM 0 HD2 TYR A 111 5.857 8.212 8.408 1.00 0.34 H new ATOM 0 HE1 TYR A 111 6.625 13.056 8.703 1.00 0.53 H new ATOM 0 HE2 TYR A 111 7.962 9.169 7.583 1.00 0.40 H new ATOM 0 HH TYR A 111 9.168 10.993 7.276 1.00 0.55 H new ATOM 2059 N PHE B 261 -5.151 -8.611 2.540 1.00 0.48 N ATOM 2060 CA PHE B 261 -4.025 -7.994 3.219 1.00 0.48 C ATOM 2061 C PHE B 261 -4.437 -7.531 4.605 1.00 0.66 C ATOM 2062 O PHE B 261 -5.625 -7.403 4.903 1.00 0.95 O ATOM 2063 CB PHE B 261 -3.505 -6.772 2.452 1.00 0.50 C ATOM 2064 CG PHE B 261 -3.328 -6.950 0.970 1.00 0.46 C ATOM 2065 CD1 PHE B 261 -3.202 -8.203 0.396 1.00 0.44 C ATOM 2066 CD2 PHE B 261 -3.298 -5.841 0.149 1.00 0.67 C ATOM 2067 CE1 PHE B 261 -3.054 -8.344 -0.967 1.00 0.51 C ATOM 2068 CE2 PHE B 261 -3.150 -5.974 -1.213 1.00 0.75 C ATOM 2069 CZ PHE B 261 -3.027 -7.227 -1.773 1.00 0.62 C ATOM 0 HA PHE B 261 -3.239 -8.746 3.280 1.00 0.48 H new ATOM 0 HB2 PHE B 261 -4.193 -5.943 2.619 1.00 0.50 H new ATOM 0 HB3 PHE B 261 -2.546 -6.481 2.880 1.00 0.50 H new ATOM 0 HD1 PHE B 261 -3.220 -9.081 1.024 1.00 0.44 H new ATOM 0 HD2 PHE B 261 -3.392 -4.856 0.581 1.00 0.67 H new ATOM 0 HE1 PHE B 261 -2.959 -9.328 -1.402 1.00 0.51 H new ATOM 0 HE2 PHE B 261 -3.130 -5.097 -1.842 1.00 0.75 H new ATOM 0 HZ PHE B 261 -2.910 -7.333 -2.841 1.00 0.62 H new ATOM 2079 N VAL B 262 -3.452 -7.275 5.444 1.00 0.55 N ATOM 2080 CA VAL B 262 -3.701 -6.723 6.761 1.00 0.67 C ATOM 2081 C VAL B 262 -2.569 -5.775 7.159 1.00 0.54 C ATOM 2082 O VAL B 262 -1.403 -6.031 6.846 1.00 0.50 O ATOM 2083 CB VAL B 262 -3.849 -7.850 7.811 1.00 0.84 C ATOM 2084 CG1 VAL B 262 -2.559 -8.645 7.947 1.00 1.37 C ATOM 2085 CG2 VAL B 262 -4.281 -7.294 9.156 1.00 1.14 C ATOM 0 H VAL B 262 -2.468 -7.441 5.235 1.00 0.55 H new ATOM 0 HA VAL B 262 -4.636 -6.163 6.726 1.00 0.67 H new ATOM 0 HB VAL B 262 -4.628 -8.526 7.460 1.00 0.84 H new ATOM 0 HG11 VAL B 262 -2.692 -9.430 8.691 1.00 1.37 H new ATOM 0 HG12 VAL B 262 -2.306 -9.095 6.987 1.00 1.37 H new ATOM 0 HG13 VAL B 262 -1.754 -7.981 8.260 1.00 1.37 H new ATOM 0 HG21 VAL B 262 -4.377 -8.109 9.873 1.00 1.14 H new ATOM 0 HG22 VAL B 262 -3.536 -6.583 9.512 1.00 1.14 H new ATOM 0 HG23 VAL B 262 -5.242 -6.790 9.050 1.00 1.14 H new ATOM 2095 N GLU B 263 -2.909 -4.664 7.803 1.00 0.57 N ATOM 2096 CA GLU B 263 -1.887 -3.805 8.380 1.00 0.55 C ATOM 2097 C GLU B 263 -1.433 -4.404 9.707 1.00 0.56 C ATOM 2098 O GLU B 263 -2.231 -4.608 10.625 1.00 0.62 O ATOM 2099 CB GLU B 263 -2.372 -2.353 8.553 1.00 0.73 C ATOM 2100 CG GLU B 263 -3.737 -2.203 9.205 1.00 1.21 C ATOM 2101 CD GLU B 263 -4.008 -0.787 9.676 1.00 1.73 C ATOM 2102 OE1 GLU B 263 -3.198 -0.245 10.461 1.00 2.24 O ATOM 2103 OE2 GLU B 263 -5.029 -0.201 9.256 1.00 2.20 O ATOM 0 H GLU B 263 -3.868 -4.343 7.936 1.00 0.57 H new ATOM 0 HA GLU B 263 -1.042 -3.757 7.693 1.00 0.55 H new ATOM 0 HB2 GLU B 263 -1.639 -1.810 9.150 1.00 0.73 H new ATOM 0 HB3 GLU B 263 -2.400 -1.876 7.573 1.00 0.73 H new ATOM 0 HG2 GLU B 263 -4.509 -2.499 8.495 1.00 1.21 H new ATOM 0 HG3 GLU B 263 -3.807 -2.883 10.054 1.00 1.21 H new