USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 869 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 32 TYR OH : rot 180:sc= -0.738 USER MOD Set 1.2: A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc=-0.00259 X(o=-0.0026,f=-0.0068) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -1.08 K(o=-1.1,f=-3.7!) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HE2:sc= 0.0726 K(o=0.073,f=-1.4) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 165:sc= -1.56 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -26:sc= 1.05 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.476 K(o=-0.48,f=-3.2!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot -175:sc= 0.459 USER MOD Single : A 82 TYR OH : rot 165:sc= -0.729 USER MOD Single : A 84 THR OG1 : rot -9:sc= -1.85! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.0809 X(o=-0.081,f=-0.099) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.295 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 26:sc= -3.43! USER MOD Single : A 100 THR OG1 : rot -81:sc= 0.304 USER MOD Single : A 110 ASN : amide:sc= -0.262 K(o=-0.26,f=-1.9!) USER MOD Single : A 113 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.0201) USER MOD Single : A 114 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00676) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 4 -2.931 5.063 12.654 1.00 1.37 N ATOM 40 CA GLU A 4 -3.314 3.689 13.090 1.00 1.14 C ATOM 41 C GLU A 4 -2.617 2.646 12.210 1.00 0.89 C ATOM 42 O GLU A 4 -2.273 2.910 11.075 1.00 1.30 O ATOM 43 CB GLU A 4 -4.831 3.621 12.908 1.00 1.67 C ATOM 44 CG GLU A 4 -5.504 3.508 14.277 1.00 2.39 C ATOM 45 CD GLU A 4 -4.444 3.235 15.347 1.00 2.65 C ATOM 46 OE1 GLU A 4 -3.480 3.981 15.401 1.00 3.09 O ATOM 47 OE2 GLU A 4 -4.615 2.286 16.094 1.00 3.05 O ATOM 0 HA GLU A 4 -3.021 3.484 14.120 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -5.186 4.511 12.389 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -5.096 2.764 12.289 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -6.040 4.429 14.508 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -6.241 2.705 14.267 1.00 2.39 H new ATOM 54 N GLU A 5 -2.403 1.465 12.724 1.00 1.00 N ATOM 55 CA GLU A 5 -1.725 0.411 11.915 1.00 0.81 C ATOM 56 C GLU A 5 -2.386 -0.949 12.152 1.00 0.87 C ATOM 57 O GLU A 5 -2.955 -1.199 13.197 1.00 1.15 O ATOM 58 CB GLU A 5 -0.279 0.397 12.413 1.00 0.95 C ATOM 59 CG GLU A 5 0.518 1.492 11.700 1.00 1.46 C ATOM 60 CD GLU A 5 1.601 2.029 12.637 1.00 1.82 C ATOM 61 OE1 GLU A 5 1.302 2.932 13.401 1.00 2.19 O ATOM 62 OE2 GLU A 5 2.712 1.528 12.577 1.00 2.50 O ATOM 0 H GLU A 5 -2.668 1.184 13.668 1.00 1.00 H new ATOM 0 HA GLU A 5 -1.787 0.611 10.845 1.00 0.81 H new ATOM 0 HB2 GLU A 5 -0.253 0.557 13.491 1.00 0.95 H new ATOM 0 HB3 GLU A 5 0.172 -0.577 12.224 1.00 0.95 H new ATOM 0 HG2 GLU A 5 0.972 1.093 10.793 1.00 1.46 H new ATOM 0 HG3 GLU A 5 -0.147 2.300 11.395 1.00 1.46 H new ATOM 69 N GLU A 6 -2.317 -1.832 11.191 1.00 0.79 N ATOM 70 CA GLU A 6 -2.940 -3.176 11.365 1.00 1.04 C ATOM 71 C GLU A 6 -1.861 -4.265 11.362 1.00 1.10 C ATOM 72 O GLU A 6 -1.395 -4.688 12.402 1.00 1.76 O ATOM 73 CB GLU A 6 -3.876 -3.334 10.165 1.00 1.28 C ATOM 74 CG GLU A 6 -5.312 -3.024 10.591 1.00 1.68 C ATOM 75 CD GLU A 6 -6.088 -4.331 10.757 1.00 1.97 C ATOM 76 OE1 GLU A 6 -6.175 -5.071 9.791 1.00 2.24 O ATOM 77 OE2 GLU A 6 -6.580 -4.570 11.847 1.00 2.63 O ATOM 0 H GLU A 6 -1.856 -1.680 10.294 1.00 0.79 H new ATOM 0 HA GLU A 6 -3.474 -3.268 12.311 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -3.571 -2.663 9.362 1.00 1.28 H new ATOM 0 HB3 GLU A 6 -3.813 -4.349 9.773 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -5.312 -2.467 11.528 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -5.796 -2.394 9.845 1.00 1.68 H new ATOM 84 N ASP A 7 -1.452 -4.715 10.205 1.00 1.27 N ATOM 85 CA ASP A 7 -0.397 -5.768 10.147 1.00 1.35 C ATOM 86 C ASP A 7 0.975 -5.113 9.968 1.00 1.28 C ATOM 87 O ASP A 7 1.589 -5.207 8.924 1.00 2.01 O ATOM 88 CB ASP A 7 -0.748 -6.620 8.927 1.00 1.53 C ATOM 89 CG ASP A 7 0.428 -6.624 7.949 1.00 1.92 C ATOM 90 OD1 ASP A 7 0.823 -5.551 7.524 1.00 2.36 O ATOM 91 OD2 ASP A 7 0.915 -7.701 7.643 1.00 2.57 O ATOM 0 H ASP A 7 -1.802 -4.400 9.300 1.00 1.27 H new ATOM 0 HA ASP A 7 -0.355 -6.367 11.057 1.00 1.35 H new ATOM 0 HB2 ASP A 7 -0.980 -7.639 9.237 1.00 1.53 H new ATOM 0 HB3 ASP A 7 -1.639 -6.225 8.439 1.00 1.53 H new ATOM 96 N HIS A 8 1.453 -4.433 10.980 1.00 1.21 N ATOM 97 CA HIS A 8 2.781 -3.748 10.884 1.00 1.11 C ATOM 98 C HIS A 8 2.747 -2.660 9.802 1.00 0.81 C ATOM 99 O HIS A 8 3.771 -2.134 9.409 1.00 0.87 O ATOM 100 CB HIS A 8 3.793 -4.840 10.519 1.00 1.32 C ATOM 101 CG HIS A 8 5.049 -4.644 11.324 1.00 1.61 C ATOM 102 ND1 HIS A 8 6.254 -4.290 10.738 1.00 2.30 N ATOM 103 CD2 HIS A 8 5.302 -4.748 12.669 1.00 2.02 C ATOM 104 CE1 HIS A 8 7.169 -4.194 11.720 1.00 2.53 C ATOM 105 NE2 HIS A 8 6.641 -4.464 12.917 1.00 2.33 N ATOM 0 H HIS A 8 0.977 -4.322 11.875 1.00 1.21 H new ATOM 0 HA HIS A 8 3.046 -3.257 11.820 1.00 1.11 H new ATOM 0 HB2 HIS A 8 3.370 -5.825 10.718 1.00 1.32 H new ATOM 0 HB3 HIS A 8 4.020 -4.800 9.454 1.00 1.32 H new ATOM 0 HD2 HIS A 8 4.572 -5.010 13.421 1.00 2.02 H new ATOM 0 HE1 HIS A 8 8.204 -3.931 11.560 1.00 2.53 H new ATOM 0 HE2 HIS A 8 7.117 -4.462 13.819 1.00 2.33 H new ATOM 113 N VAL A 9 1.582 -2.311 9.320 1.00 0.69 N ATOM 114 CA VAL A 9 1.485 -1.263 8.279 1.00 0.49 C ATOM 115 C VAL A 9 0.401 -0.255 8.661 1.00 0.41 C ATOM 116 O VAL A 9 -0.311 -0.434 9.628 1.00 0.54 O ATOM 117 CB VAL A 9 1.091 -2.015 7.015 1.00 0.68 C ATOM 118 CG1 VAL A 9 2.194 -3.006 6.639 1.00 0.89 C ATOM 119 CG2 VAL A 9 -0.218 -2.770 7.252 1.00 0.88 C ATOM 0 H VAL A 9 0.691 -2.714 9.610 1.00 0.69 H new ATOM 0 HA VAL A 9 2.413 -0.705 8.153 1.00 0.49 H new ATOM 0 HB VAL A 9 0.955 -1.302 6.202 1.00 0.68 H new ATOM 0 HG11 VAL A 9 1.908 -3.542 5.734 1.00 0.89 H new ATOM 0 HG12 VAL A 9 3.124 -2.466 6.462 1.00 0.89 H new ATOM 0 HG13 VAL A 9 2.337 -3.717 7.452 1.00 0.89 H new ATOM 0 HG21 VAL A 9 -0.497 -3.307 6.346 1.00 0.88 H new ATOM 0 HG22 VAL A 9 -0.086 -3.480 8.068 1.00 0.88 H new ATOM 0 HG23 VAL A 9 -1.005 -2.062 7.511 1.00 0.88 H new ATOM 129 N LEU A 10 0.270 0.799 7.910 1.00 0.41 N ATOM 130 CA LEU A 10 -0.769 1.814 8.232 1.00 0.54 C ATOM 131 C LEU A 10 -2.118 1.407 7.632 1.00 0.42 C ATOM 132 O LEU A 10 -2.189 0.888 6.536 1.00 0.59 O ATOM 133 CB LEU A 10 -0.270 3.105 7.588 1.00 0.83 C ATOM 134 CG LEU A 10 -0.229 4.217 8.635 1.00 0.96 C ATOM 135 CD1 LEU A 10 1.090 4.982 8.512 1.00 1.49 C ATOM 136 CD2 LEU A 10 -1.401 5.174 8.407 1.00 1.30 C ATOM 0 H LEU A 10 0.837 1.003 7.087 1.00 0.41 H new ATOM 0 HA LEU A 10 -0.920 1.921 9.306 1.00 0.54 H new ATOM 0 HB2 LEU A 10 0.723 2.952 7.166 1.00 0.83 H new ATOM 0 HB3 LEU A 10 -0.926 3.390 6.765 1.00 0.83 H new ATOM 0 HG LEU A 10 -0.305 3.783 9.632 1.00 0.96 H new ATOM 0 HD11 LEU A 10 1.121 5.776 9.258 1.00 1.49 H new ATOM 0 HD12 LEU A 10 1.923 4.299 8.674 1.00 1.49 H new ATOM 0 HD13 LEU A 10 1.167 5.417 7.516 1.00 1.49 H new ATOM 0 HD21 LEU A 10 -1.373 5.968 9.153 1.00 1.30 H new ATOM 0 HD22 LEU A 10 -1.326 5.610 7.411 1.00 1.30 H new ATOM 0 HD23 LEU A 10 -2.340 4.627 8.494 1.00 1.30 H new ATOM 148 N VAL A 11 -3.188 1.647 8.335 1.00 0.54 N ATOM 149 CA VAL A 11 -4.530 1.286 7.795 1.00 0.46 C ATOM 150 C VAL A 11 -5.192 2.533 7.202 1.00 0.43 C ATOM 151 O VAL A 11 -5.121 3.608 7.763 1.00 0.54 O ATOM 152 CB VAL A 11 -5.320 0.749 8.994 1.00 0.61 C ATOM 153 CG1 VAL A 11 -5.576 1.874 10.003 1.00 1.39 C ATOM 154 CG2 VAL A 11 -6.659 0.186 8.510 1.00 1.04 C ATOM 0 H VAL A 11 -3.193 2.077 9.260 1.00 0.54 H new ATOM 0 HA VAL A 11 -4.480 0.543 6.999 1.00 0.46 H new ATOM 0 HB VAL A 11 -4.742 -0.038 9.477 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -6.138 1.482 10.851 1.00 1.39 H new ATOM 0 HG12 VAL A 11 -4.624 2.273 10.352 1.00 1.39 H new ATOM 0 HG13 VAL A 11 -6.149 2.668 9.525 1.00 1.39 H new ATOM 0 HG21 VAL A 11 -7.222 -0.196 9.361 1.00 1.04 H new ATOM 0 HG22 VAL A 11 -7.231 0.975 8.022 1.00 1.04 H new ATOM 0 HG23 VAL A 11 -6.479 -0.623 7.802 1.00 1.04 H new ATOM 164 N LEU A 12 -5.819 2.407 6.067 1.00 0.40 N ATOM 165 CA LEU A 12 -6.460 3.599 5.442 1.00 0.45 C ATOM 166 C LEU A 12 -7.951 3.662 5.780 1.00 0.44 C ATOM 167 O LEU A 12 -8.524 2.728 6.303 1.00 0.58 O ATOM 168 CB LEU A 12 -6.266 3.408 3.938 1.00 0.63 C ATOM 169 CG LEU A 12 -4.964 4.082 3.497 1.00 0.76 C ATOM 170 CD1 LEU A 12 -5.034 5.579 3.795 1.00 0.82 C ATOM 171 CD2 LEU A 12 -3.785 3.472 4.256 1.00 1.16 C ATOM 0 H LEU A 12 -5.916 1.535 5.546 1.00 0.40 H new ATOM 0 HA LEU A 12 -6.021 4.529 5.804 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -6.237 2.345 3.697 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -7.110 3.835 3.395 1.00 0.63 H new ATOM 0 HG LEU A 12 -4.827 3.928 2.427 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -4.106 6.056 3.480 1.00 0.82 H new ATOM 0 HD12 LEU A 12 -5.871 6.019 3.253 1.00 0.82 H new ATOM 0 HD13 LEU A 12 -5.175 5.731 4.865 1.00 0.82 H new ATOM 0 HD21 LEU A 12 -2.860 3.954 3.940 1.00 1.16 H new ATOM 0 HD22 LEU A 12 -3.925 3.622 5.327 1.00 1.16 H new ATOM 0 HD23 LEU A 12 -3.729 2.404 4.044 1.00 1.16 H new ATOM 183 N ARG A 13 -8.578 4.764 5.473 1.00 0.47 N ATOM 184 CA ARG A 13 -10.034 4.913 5.758 1.00 0.55 C ATOM 185 C ARG A 13 -10.602 6.044 4.877 1.00 0.54 C ATOM 186 O ARG A 13 -9.870 6.738 4.198 1.00 0.73 O ATOM 187 CB ARG A 13 -10.104 5.210 7.280 1.00 0.69 C ATOM 188 CG ARG A 13 -11.110 6.327 7.609 1.00 1.19 C ATOM 189 CD ARG A 13 -11.105 6.591 9.117 1.00 1.28 C ATOM 190 NE ARG A 13 -10.114 7.687 9.310 1.00 1.86 N ATOM 191 CZ ARG A 13 -10.484 8.817 9.847 1.00 2.30 C ATOM 192 NH1 ARG A 13 -11.274 8.818 10.886 1.00 2.68 N ATOM 193 NH2 ARG A 13 -10.064 9.947 9.347 1.00 2.84 N ATOM 0 H ARG A 13 -8.141 5.574 5.034 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.634 4.033 5.525 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -10.385 4.302 7.813 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -9.115 5.497 7.638 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -10.849 7.237 7.069 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -12.109 6.039 7.283 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -12.093 6.885 9.470 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -10.820 5.698 9.674 1.00 1.28 H new ATOM 0 HE ARG A 13 -9.145 7.554 9.022 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -11.602 7.935 11.278 1.00 2.68 H new ATOM 0 HH12 ARG A 13 -11.563 9.701 11.306 1.00 2.68 H new ATOM 0 HH21 ARG A 13 -9.446 9.947 8.536 1.00 2.84 H new ATOM 0 HH22 ARG A 13 -10.354 10.830 9.768 1.00 2.84 H new ATOM 207 N LYS A 14 -11.898 6.215 4.876 1.00 0.58 N ATOM 208 CA LYS A 14 -12.528 7.283 4.033 1.00 0.63 C ATOM 209 C LYS A 14 -11.758 8.608 4.132 1.00 0.65 C ATOM 210 O LYS A 14 -11.403 9.203 3.135 1.00 0.83 O ATOM 211 CB LYS A 14 -13.940 7.448 4.600 1.00 0.74 C ATOM 212 CG LYS A 14 -14.968 7.073 3.529 1.00 1.26 C ATOM 213 CD LYS A 14 -16.312 7.723 3.863 1.00 1.92 C ATOM 214 CE LYS A 14 -17.450 6.773 3.478 1.00 2.26 C ATOM 215 NZ LYS A 14 -17.997 6.285 4.776 1.00 2.80 N ATOM 0 H LYS A 14 -12.554 5.659 5.425 1.00 0.58 H new ATOM 0 HA LYS A 14 -12.527 7.010 2.978 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -14.067 6.815 5.478 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -14.095 8.477 4.924 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -14.625 7.404 2.549 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -15.078 5.990 3.479 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -16.362 7.954 4.927 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -16.415 8.666 3.327 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -18.214 7.287 2.895 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -17.086 5.947 2.867 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -18.782 5.627 4.596 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -17.249 5.794 5.305 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -18.342 7.093 5.333 1.00 2.80 H new ATOM 229 N SER A 15 -11.508 9.079 5.323 1.00 0.68 N ATOM 230 CA SER A 15 -10.773 10.371 5.472 1.00 0.88 C ATOM 231 C SER A 15 -9.275 10.137 5.710 1.00 0.81 C ATOM 232 O SER A 15 -8.519 11.071 5.893 1.00 1.05 O ATOM 233 CB SER A 15 -11.405 11.041 6.692 1.00 1.10 C ATOM 234 OG SER A 15 -12.574 11.744 6.294 1.00 1.68 O ATOM 0 H SER A 15 -11.779 8.629 6.197 1.00 0.68 H new ATOM 0 HA SER A 15 -10.847 10.982 4.572 1.00 0.88 H new ATOM 0 HB2 SER A 15 -11.656 10.291 7.442 1.00 1.10 H new ATOM 0 HB3 SER A 15 -10.694 11.727 7.152 1.00 1.10 H new ATOM 0 HG SER A 15 -12.980 12.172 7.076 1.00 1.68 H new ATOM 240 N ASN A 16 -8.833 8.908 5.710 1.00 0.65 N ATOM 241 CA ASN A 16 -7.382 8.643 5.939 1.00 0.68 C ATOM 242 C ASN A 16 -6.625 8.630 4.611 1.00 0.55 C ATOM 243 O ASN A 16 -5.454 8.943 4.547 1.00 0.56 O ATOM 244 CB ASN A 16 -7.329 7.263 6.589 1.00 0.87 C ATOM 245 CG ASN A 16 -6.956 7.404 8.065 1.00 0.91 C ATOM 246 OD1 ASN A 16 -6.943 8.494 8.601 1.00 1.74 O ATOM 247 ND2 ASN A 16 -6.652 6.338 8.752 1.00 0.98 N ATOM 0 H ASN A 16 -9.410 8.080 5.562 1.00 0.65 H new ATOM 0 HA ASN A 16 -6.921 9.410 6.561 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -8.295 6.768 6.494 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -6.598 6.637 6.077 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -6.404 6.420 9.738 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -6.662 5.422 8.303 1.00 0.98 H new ATOM 254 N PHE A 17 -7.286 8.266 3.551 1.00 0.55 N ATOM 255 CA PHE A 17 -6.604 8.227 2.228 1.00 0.51 C ATOM 256 C PHE A 17 -5.939 9.575 1.931 1.00 0.46 C ATOM 257 O PHE A 17 -4.735 9.670 1.798 1.00 0.52 O ATOM 258 CB PHE A 17 -7.719 7.948 1.222 1.00 0.56 C ATOM 259 CG PHE A 17 -7.113 7.724 -0.139 1.00 0.62 C ATOM 260 CD1 PHE A 17 -6.763 8.817 -0.939 1.00 0.79 C ATOM 261 CD2 PHE A 17 -6.905 6.421 -0.604 1.00 0.78 C ATOM 262 CE1 PHE A 17 -6.204 8.608 -2.205 1.00 0.90 C ATOM 263 CE2 PHE A 17 -6.349 6.210 -1.869 1.00 0.89 C ATOM 264 CZ PHE A 17 -5.978 7.311 -2.664 1.00 0.87 C ATOM 0 H PHE A 17 -8.269 7.994 3.542 1.00 0.55 H new ATOM 0 HA PHE A 17 -5.818 7.473 2.190 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -8.290 7.071 1.528 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -8.415 8.787 1.190 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -6.924 9.823 -0.580 1.00 0.79 H new ATOM 0 HD2 PHE A 17 -7.174 5.578 0.015 1.00 0.78 H new ATOM 0 HE1 PHE A 17 -5.947 9.453 -2.827 1.00 0.90 H new ATOM 0 HE2 PHE A 17 -6.204 5.205 -2.236 1.00 0.89 H new ATOM 0 HZ PHE A 17 -5.519 7.151 -3.628 1.00 0.87 H new ATOM 274 N ALA A 18 -6.718 10.614 1.822 1.00 0.52 N ATOM 275 CA ALA A 18 -6.142 11.958 1.528 1.00 0.66 C ATOM 276 C ALA A 18 -5.032 12.298 2.527 1.00 0.59 C ATOM 277 O ALA A 18 -4.159 13.096 2.249 1.00 0.75 O ATOM 278 CB ALA A 18 -7.312 12.930 1.681 1.00 0.84 C ATOM 0 H ALA A 18 -7.733 10.592 1.924 1.00 0.52 H new ATOM 0 HA ALA A 18 -5.696 12.003 0.535 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -6.970 13.945 1.480 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -8.099 12.666 0.975 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -7.702 12.873 2.697 1.00 0.84 H new ATOM 284 N GLU A 19 -5.058 11.701 3.686 1.00 0.46 N ATOM 285 CA GLU A 19 -4.004 11.996 4.699 1.00 0.49 C ATOM 286 C GLU A 19 -2.708 11.267 4.341 1.00 0.48 C ATOM 287 O GLU A 19 -1.697 11.879 4.059 1.00 0.56 O ATOM 288 CB GLU A 19 -4.565 11.472 6.019 1.00 0.55 C ATOM 289 CG GLU A 19 -3.603 11.827 7.155 1.00 0.69 C ATOM 290 CD GLU A 19 -3.443 13.345 7.232 1.00 1.04 C ATOM 291 OE1 GLU A 19 -4.412 14.038 6.966 1.00 1.66 O ATOM 292 OE2 GLU A 19 -2.354 13.791 7.554 1.00 1.78 O ATOM 0 H GLU A 19 -5.762 11.022 3.976 1.00 0.46 H new ATOM 0 HA GLU A 19 -3.767 13.059 4.750 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -5.546 11.908 6.209 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -4.701 10.392 5.966 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -3.983 11.442 8.101 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -2.634 11.357 6.986 1.00 0.69 H new ATOM 299 N ALA A 20 -2.732 9.963 4.351 1.00 0.45 N ATOM 300 CA ALA A 20 -1.499 9.192 4.012 1.00 0.53 C ATOM 301 C ALA A 20 -0.932 9.668 2.673 1.00 0.57 C ATOM 302 O ALA A 20 0.265 9.690 2.463 1.00 0.71 O ATOM 303 CB ALA A 20 -1.954 7.737 3.914 1.00 0.57 C ATOM 0 H ALA A 20 -3.550 9.397 4.579 1.00 0.45 H new ATOM 0 HA ALA A 20 -0.713 9.323 4.756 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -1.101 7.105 3.667 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -2.374 7.422 4.869 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -2.712 7.644 3.136 1.00 0.57 H new ATOM 309 N LEU A 21 -1.785 10.054 1.766 1.00 0.55 N ATOM 310 CA LEU A 21 -1.302 10.534 0.441 1.00 0.69 C ATOM 311 C LEU A 21 -0.341 11.709 0.628 1.00 0.75 C ATOM 312 O LEU A 21 0.644 11.838 -0.072 1.00 0.92 O ATOM 313 CB LEU A 21 -2.564 10.983 -0.297 1.00 0.74 C ATOM 314 CG LEU A 21 -2.974 9.925 -1.327 1.00 0.84 C ATOM 315 CD1 LEU A 21 -1.896 9.818 -2.406 1.00 1.44 C ATOM 316 CD2 LEU A 21 -3.141 8.566 -0.642 1.00 0.90 C ATOM 0 H LEU A 21 -2.798 10.058 1.885 1.00 0.55 H new ATOM 0 HA LEU A 21 -0.760 9.765 -0.109 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -3.374 11.142 0.415 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -2.385 11.936 -0.794 1.00 0.74 H new ATOM 0 HG LEU A 21 -3.921 10.218 -1.781 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -2.188 9.065 -3.138 1.00 1.44 H new ATOM 0 HD12 LEU A 21 -1.781 10.782 -2.902 1.00 1.44 H new ATOM 0 HD13 LEU A 21 -0.950 9.530 -1.948 1.00 1.44 H new ATOM 0 HD21 LEU A 21 -3.432 7.820 -1.381 1.00 0.90 H new ATOM 0 HD22 LEU A 21 -2.198 8.272 -0.182 1.00 0.90 H new ATOM 0 HD23 LEU A 21 -3.912 8.638 0.125 1.00 0.90 H new ATOM 328 N ALA A 22 -0.621 12.567 1.567 1.00 0.71 N ATOM 329 CA ALA A 22 0.274 13.737 1.803 1.00 0.85 C ATOM 330 C ALA A 22 1.127 13.512 3.056 1.00 0.89 C ATOM 331 O ALA A 22 2.148 14.144 3.244 1.00 1.08 O ATOM 332 CB ALA A 22 -0.671 14.923 2.003 1.00 1.00 C ATOM 0 H ALA A 22 -1.432 12.510 2.183 1.00 0.71 H new ATOM 0 HA ALA A 22 0.966 13.900 0.976 1.00 0.85 H new ATOM 0 HB1 ALA A 22 -0.088 15.826 2.183 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -1.281 15.057 1.110 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -1.318 14.732 2.859 1.00 1.00 H new ATOM 338 N ALA A 23 0.717 12.617 3.914 1.00 0.86 N ATOM 339 CA ALA A 23 1.504 12.355 5.152 1.00 0.93 C ATOM 340 C ALA A 23 2.951 11.999 4.798 1.00 0.85 C ATOM 341 O ALA A 23 3.887 12.560 5.333 1.00 0.95 O ATOM 342 CB ALA A 23 0.806 11.170 5.820 1.00 1.05 C ATOM 0 H ALA A 23 -0.129 12.056 3.811 1.00 0.86 H new ATOM 0 HA ALA A 23 1.546 13.226 5.806 1.00 0.93 H new ATOM 0 HB1 ALA A 23 1.327 10.914 6.743 1.00 1.05 H new ATOM 0 HB2 ALA A 23 -0.226 11.437 6.048 1.00 1.05 H new ATOM 0 HB3 ALA A 23 0.819 10.313 5.146 1.00 1.05 H new ATOM 348 N HIS A 24 3.142 11.069 3.902 1.00 0.83 N ATOM 349 CA HIS A 24 4.529 10.678 3.519 1.00 0.84 C ATOM 350 C HIS A 24 4.687 10.706 1.996 1.00 0.82 C ATOM 351 O HIS A 24 3.753 10.452 1.261 1.00 1.30 O ATOM 352 CB HIS A 24 4.699 9.253 4.050 1.00 0.95 C ATOM 353 CG HIS A 24 5.906 9.191 4.946 1.00 1.22 C ATOM 354 ND1 HIS A 24 5.856 9.568 6.279 1.00 1.80 N ATOM 355 CD2 HIS A 24 7.200 8.796 4.717 1.00 1.84 C ATOM 356 CE1 HIS A 24 7.087 9.395 6.795 1.00 2.04 C ATOM 357 NE2 HIS A 24 7.944 8.926 5.885 1.00 2.00 N ATOM 0 H HIS A 24 2.399 10.564 3.419 1.00 0.83 H new ATOM 0 HA HIS A 24 5.277 11.358 3.927 1.00 0.84 H new ATOM 0 HB2 HIS A 24 3.808 8.950 4.601 1.00 0.95 H new ATOM 0 HB3 HIS A 24 4.813 8.556 3.220 1.00 0.95 H new ATOM 0 HD2 HIS A 24 7.583 8.438 3.773 1.00 1.84 H new ATOM 0 HE1 HIS A 24 7.350 9.609 7.820 1.00 2.04 H new ATOM 0 HE2 HIS A 24 8.932 8.710 6.018 1.00 2.00 H new ATOM 365 N LYS A 25 5.862 11.016 1.515 1.00 0.72 N ATOM 366 CA LYS A 25 6.077 11.060 0.040 1.00 0.69 C ATOM 367 C LYS A 25 5.628 9.741 -0.600 1.00 0.59 C ATOM 368 O LYS A 25 4.519 9.624 -1.081 1.00 0.68 O ATOM 369 CB LYS A 25 7.581 11.263 -0.136 1.00 0.81 C ATOM 370 CG LYS A 25 7.865 12.736 -0.440 1.00 1.20 C ATOM 371 CD LYS A 25 8.460 13.406 0.800 1.00 1.51 C ATOM 372 CE LYS A 25 9.936 13.723 0.551 1.00 2.06 C ATOM 373 NZ LYS A 25 9.972 15.185 0.275 1.00 2.47 N ATOM 0 H LYS A 25 6.681 11.240 2.080 1.00 0.72 H new ATOM 0 HA LYS A 25 5.503 11.854 -0.439 1.00 0.69 H new ATOM 0 HB2 LYS A 25 8.108 10.959 0.768 1.00 0.81 H new ATOM 0 HB3 LYS A 25 7.951 10.635 -0.947 1.00 0.81 H new ATOM 0 HG2 LYS A 25 8.556 12.819 -1.279 1.00 1.20 H new ATOM 0 HG3 LYS A 25 6.945 13.242 -0.734 1.00 1.20 H new ATOM 0 HD2 LYS A 25 7.914 14.321 1.029 1.00 1.51 H new ATOM 0 HD3 LYS A 25 8.359 12.750 1.665 1.00 1.51 H new ATOM 0 HE2 LYS A 25 10.546 13.469 1.418 1.00 2.06 H new ATOM 0 HE3 LYS A 25 10.326 13.152 -0.292 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 10.953 15.480 0.094 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 9.388 15.395 -0.559 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 9.601 15.703 1.097 1.00 2.47 H new ATOM 387 N TYR A 26 6.474 8.745 -0.604 1.00 0.52 N ATOM 388 CA TYR A 26 6.080 7.440 -1.208 1.00 0.48 C ATOM 389 C TYR A 26 5.105 6.717 -0.277 1.00 0.46 C ATOM 390 O TYR A 26 5.485 6.202 0.755 1.00 0.53 O ATOM 391 CB TYR A 26 7.383 6.649 -1.342 1.00 0.56 C ATOM 392 CG TYR A 26 8.378 7.450 -2.148 1.00 0.65 C ATOM 393 CD1 TYR A 26 7.989 8.041 -3.356 1.00 0.75 C ATOM 394 CD2 TYR A 26 9.692 7.601 -1.686 1.00 1.08 C ATOM 395 CE1 TYR A 26 8.912 8.785 -4.101 1.00 0.87 C ATOM 396 CE2 TYR A 26 10.615 8.345 -2.431 1.00 1.31 C ATOM 397 CZ TYR A 26 10.224 8.936 -3.638 1.00 1.08 C ATOM 398 OH TYR A 26 11.134 9.669 -4.372 1.00 1.33 O ATOM 0 H TYR A 26 7.417 8.779 -0.217 1.00 0.52 H new ATOM 0 HA TYR A 26 5.583 7.559 -2.171 1.00 0.48 H new ATOM 0 HB2 TYR A 26 7.791 6.430 -0.355 1.00 0.56 H new ATOM 0 HB3 TYR A 26 7.192 5.692 -1.828 1.00 0.56 H new ATOM 0 HD1 TYR A 26 6.977 7.923 -3.713 1.00 0.75 H new ATOM 0 HD2 TYR A 26 9.993 7.143 -0.755 1.00 1.08 H new ATOM 0 HE1 TYR A 26 8.612 9.242 -5.032 1.00 0.87 H new ATOM 0 HE2 TYR A 26 11.628 8.463 -2.075 1.00 1.31 H new ATOM 0 HH TYR A 26 11.998 9.676 -3.909 1.00 1.33 H new ATOM 408 N LEU A 27 3.849 6.683 -0.627 1.00 0.46 N ATOM 409 CA LEU A 27 2.856 6.002 0.250 1.00 0.45 C ATOM 410 C LEU A 27 2.283 4.764 -0.439 1.00 0.40 C ATOM 411 O LEU A 27 1.706 4.846 -1.505 1.00 0.50 O ATOM 412 CB LEU A 27 1.751 7.036 0.475 1.00 0.51 C ATOM 413 CG LEU A 27 1.168 6.878 1.884 1.00 0.77 C ATOM 414 CD1 LEU A 27 0.681 5.442 2.092 1.00 1.93 C ATOM 415 CD2 LEU A 27 2.246 7.206 2.921 1.00 0.66 C ATOM 0 H LEU A 27 3.468 7.095 -1.479 1.00 0.46 H new ATOM 0 HA LEU A 27 3.306 5.664 1.183 1.00 0.45 H new ATOM 0 HB2 LEU A 27 2.151 8.042 0.348 1.00 0.51 H new ATOM 0 HB3 LEU A 27 0.965 6.909 -0.270 1.00 0.51 H new ATOM 0 HG LEU A 27 0.326 7.560 2.001 1.00 0.77 H new ATOM 0 HD11 LEU A 27 0.269 5.339 3.096 1.00 1.93 H new ATOM 0 HD12 LEU A 27 -0.090 5.209 1.357 1.00 1.93 H new ATOM 0 HD13 LEU A 27 1.517 4.753 1.971 1.00 1.93 H new ATOM 0 HD21 LEU A 27 1.833 7.094 3.923 1.00 0.66 H new ATOM 0 HD22 LEU A 27 3.088 6.525 2.798 1.00 0.66 H new ATOM 0 HD23 LEU A 27 2.585 8.232 2.781 1.00 0.66 H new ATOM 427 N LEU A 28 2.420 3.618 0.168 1.00 0.33 N ATOM 428 CA LEU A 28 1.864 2.382 -0.448 1.00 0.32 C ATOM 429 C LEU A 28 0.490 2.093 0.156 1.00 0.29 C ATOM 430 O LEU A 28 0.280 2.246 1.342 1.00 0.35 O ATOM 431 CB LEU A 28 2.855 1.270 -0.098 1.00 0.40 C ATOM 432 CG LEU A 28 3.127 0.410 -1.335 1.00 0.53 C ATOM 433 CD1 LEU A 28 1.830 -0.266 -1.783 1.00 1.12 C ATOM 434 CD2 LEU A 28 3.662 1.290 -2.466 1.00 0.73 C ATOM 0 H LEU A 28 2.892 3.484 1.062 1.00 0.33 H new ATOM 0 HA LEU A 28 1.737 2.471 -1.527 1.00 0.32 H new ATOM 0 HB2 LEU A 28 3.786 1.702 0.268 1.00 0.40 H new ATOM 0 HB3 LEU A 28 2.453 0.652 0.705 1.00 0.40 H new ATOM 0 HG LEU A 28 3.867 -0.351 -1.089 1.00 0.53 H new ATOM 0 HD11 LEU A 28 2.024 -0.878 -2.664 1.00 1.12 H new ATOM 0 HD12 LEU A 28 1.452 -0.897 -0.979 1.00 1.12 H new ATOM 0 HD13 LEU A 28 1.088 0.495 -2.026 1.00 1.12 H new ATOM 0 HD21 LEU A 28 3.855 0.675 -3.345 1.00 0.73 H new ATOM 0 HD22 LEU A 28 2.925 2.054 -2.712 1.00 0.73 H new ATOM 0 HD23 LEU A 28 4.588 1.768 -2.148 1.00 0.73 H new ATOM 446 N VAL A 29 -0.450 1.689 -0.648 1.00 0.32 N ATOM 447 CA VAL A 29 -1.812 1.404 -0.111 1.00 0.32 C ATOM 448 C VAL A 29 -2.511 0.359 -0.985 1.00 0.34 C ATOM 449 O VAL A 29 -2.608 0.499 -2.188 1.00 0.47 O ATOM 450 CB VAL A 29 -2.549 2.752 -0.150 1.00 0.40 C ATOM 451 CG1 VAL A 29 -2.414 3.384 -1.537 1.00 0.77 C ATOM 452 CG2 VAL A 29 -4.031 2.544 0.170 1.00 0.37 C ATOM 0 H VAL A 29 -0.338 1.543 -1.651 1.00 0.32 H new ATOM 0 HA VAL A 29 -1.788 0.996 0.900 1.00 0.32 H new ATOM 0 HB VAL A 29 -2.106 3.415 0.593 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -2.940 4.339 -1.555 1.00 0.77 H new ATOM 0 HG12 VAL A 29 -1.360 3.546 -1.762 1.00 0.77 H new ATOM 0 HG13 VAL A 29 -2.846 2.718 -2.284 1.00 0.77 H new ATOM 0 HG21 VAL A 29 -4.548 3.503 0.141 1.00 0.37 H new ATOM 0 HG22 VAL A 29 -4.471 1.872 -0.567 1.00 0.37 H new ATOM 0 HG23 VAL A 29 -4.131 2.108 1.164 1.00 0.37 H new ATOM 462 N GLU A 30 -2.995 -0.693 -0.382 1.00 0.32 N ATOM 463 CA GLU A 30 -3.686 -1.755 -1.170 1.00 0.39 C ATOM 464 C GLU A 30 -5.144 -1.887 -0.717 1.00 0.36 C ATOM 465 O GLU A 30 -5.482 -1.586 0.409 1.00 0.42 O ATOM 466 CB GLU A 30 -2.905 -3.036 -0.866 1.00 0.52 C ATOM 467 CG GLU A 30 -3.602 -4.236 -1.513 1.00 0.64 C ATOM 468 CD GLU A 30 -3.043 -5.530 -0.918 1.00 0.89 C ATOM 469 OE1 GLU A 30 -1.902 -5.848 -1.209 1.00 1.60 O ATOM 470 OE2 GLU A 30 -3.766 -6.181 -0.182 1.00 1.48 O ATOM 0 H GLU A 30 -2.942 -0.863 0.622 1.00 0.32 H new ATOM 0 HA GLU A 30 -3.709 -1.535 -2.237 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -1.886 -2.949 -1.243 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -2.835 -3.183 0.212 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -4.677 -4.180 -1.345 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -3.447 -4.222 -2.592 1.00 0.64 H new ATOM 477 N PHE A 31 -6.010 -2.329 -1.589 1.00 0.35 N ATOM 478 CA PHE A 31 -7.442 -2.472 -1.212 1.00 0.36 C ATOM 479 C PHE A 31 -7.834 -3.951 -1.129 1.00 0.39 C ATOM 480 O PHE A 31 -7.720 -4.686 -2.089 1.00 0.49 O ATOM 481 CB PHE A 31 -8.200 -1.785 -2.345 1.00 0.41 C ATOM 482 CG PHE A 31 -7.775 -0.339 -2.432 1.00 0.38 C ATOM 483 CD1 PHE A 31 -6.609 0.008 -3.125 1.00 0.45 C ATOM 484 CD2 PHE A 31 -8.546 0.656 -1.820 1.00 0.53 C ATOM 485 CE1 PHE A 31 -6.214 1.349 -3.207 1.00 0.52 C ATOM 486 CE2 PHE A 31 -8.153 1.997 -1.901 1.00 0.59 C ATOM 487 CZ PHE A 31 -6.986 2.343 -2.596 1.00 0.53 C ATOM 0 H PHE A 31 -5.785 -2.597 -2.547 1.00 0.35 H new ATOM 0 HA PHE A 31 -7.660 -2.038 -0.236 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -8.000 -2.291 -3.290 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -9.274 -1.849 -2.170 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -6.013 -0.759 -3.597 1.00 0.45 H new ATOM 0 HD2 PHE A 31 -9.445 0.389 -1.285 1.00 0.53 H new ATOM 0 HE1 PHE A 31 -5.314 1.616 -3.741 1.00 0.52 H new ATOM 0 HE2 PHE A 31 -8.748 2.764 -1.428 1.00 0.59 H new ATOM 0 HZ PHE A 31 -6.683 3.378 -2.660 1.00 0.53 H new ATOM 497 N TYR A 32 -8.299 -4.392 0.009 1.00 0.37 N ATOM 498 CA TYR A 32 -8.702 -5.823 0.138 1.00 0.44 C ATOM 499 C TYR A 32 -9.913 -5.961 1.075 1.00 0.40 C ATOM 500 O TYR A 32 -10.324 -5.014 1.716 1.00 0.45 O ATOM 501 CB TYR A 32 -7.463 -6.535 0.705 1.00 0.54 C ATOM 502 CG TYR A 32 -7.284 -6.205 2.172 1.00 0.54 C ATOM 503 CD1 TYR A 32 -6.714 -4.986 2.554 1.00 0.58 C ATOM 504 CD2 TYR A 32 -7.693 -7.123 3.146 1.00 0.66 C ATOM 505 CE1 TYR A 32 -6.552 -4.684 3.911 1.00 0.67 C ATOM 506 CE2 TYR A 32 -7.532 -6.822 4.503 1.00 0.79 C ATOM 507 CZ TYR A 32 -6.961 -5.602 4.886 1.00 0.77 C ATOM 508 OH TYR A 32 -6.801 -5.306 6.224 1.00 0.94 O ATOM 0 H TYR A 32 -8.417 -3.828 0.850 1.00 0.37 H new ATOM 0 HA TYR A 32 -9.010 -6.256 -0.814 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -7.567 -7.613 0.579 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -6.576 -6.233 0.148 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -6.399 -4.278 1.802 1.00 0.58 H new ATOM 0 HD2 TYR A 32 -8.133 -8.064 2.850 1.00 0.66 H new ATOM 0 HE1 TYR A 32 -6.112 -3.743 4.206 1.00 0.67 H new ATOM 0 HE2 TYR A 32 -7.848 -7.530 5.255 1.00 0.79 H new ATOM 0 HH TYR A 32 -7.138 -6.050 6.766 1.00 0.94 H new ATOM 518 N ALA A 33 -10.484 -7.134 1.158 1.00 0.40 N ATOM 519 CA ALA A 33 -11.661 -7.326 2.052 1.00 0.44 C ATOM 520 C ALA A 33 -11.538 -8.651 2.816 1.00 0.53 C ATOM 521 O ALA A 33 -10.746 -9.500 2.458 1.00 0.56 O ATOM 522 CB ALA A 33 -12.865 -7.361 1.112 1.00 0.49 C ATOM 0 H ALA A 33 -10.186 -7.965 0.646 1.00 0.40 H new ATOM 0 HA ALA A 33 -11.746 -6.537 2.799 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -13.777 -7.500 1.693 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -12.925 -6.422 0.562 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -12.754 -8.186 0.409 1.00 0.49 H new ATOM 528 N PRO A 34 -12.336 -8.791 3.848 1.00 0.63 N ATOM 529 CA PRO A 34 -12.316 -10.032 4.662 1.00 0.78 C ATOM 530 C PRO A 34 -12.849 -11.213 3.846 1.00 0.82 C ATOM 531 O PRO A 34 -12.497 -12.351 4.084 1.00 0.96 O ATOM 532 CB PRO A 34 -13.244 -9.710 5.832 1.00 0.90 C ATOM 533 CG PRO A 34 -14.146 -8.638 5.313 1.00 0.81 C ATOM 534 CD PRO A 34 -13.328 -7.827 4.348 1.00 0.66 C ATOM 0 HA PRO A 34 -11.315 -10.317 4.988 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -13.810 -10.588 6.143 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -12.682 -9.369 6.702 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -15.017 -9.069 4.818 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -14.517 -8.015 6.127 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -13.940 -7.425 3.541 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -12.852 -6.978 4.839 1.00 0.66 H new ATOM 542 N TRP A 35 -13.689 -10.956 2.881 1.00 0.74 N ATOM 543 CA TRP A 35 -14.229 -12.074 2.055 1.00 0.83 C ATOM 544 C TRP A 35 -13.239 -12.432 0.940 1.00 0.78 C ATOM 545 O TRP A 35 -13.304 -13.499 0.363 1.00 0.92 O ATOM 546 CB TRP A 35 -15.547 -11.555 1.473 1.00 0.91 C ATOM 547 CG TRP A 35 -15.287 -10.390 0.571 1.00 0.87 C ATOM 548 CD1 TRP A 35 -15.470 -9.093 0.909 1.00 0.84 C ATOM 549 CD2 TRP A 35 -14.812 -10.391 -0.806 1.00 1.25 C ATOM 550 NE1 TRP A 35 -15.137 -8.298 -0.172 1.00 0.85 N ATOM 551 CE2 TRP A 35 -14.725 -9.051 -1.253 1.00 1.19 C ATOM 552 CE3 TRP A 35 -14.450 -11.414 -1.702 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -14.294 -8.738 -2.543 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -14.017 -11.101 -3.001 1.00 2.36 C ATOM 555 CH2 TRP A 35 -13.939 -9.766 -3.420 1.00 2.26 C ATOM 0 H TRP A 35 -14.024 -10.026 2.629 1.00 0.74 H new ATOM 0 HA TRP A 35 -14.385 -12.980 2.641 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -16.047 -12.350 0.919 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -16.218 -11.258 2.279 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -15.819 -8.737 1.867 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -15.189 -7.279 -0.171 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -14.505 -12.446 -1.389 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -14.235 -7.708 -2.861 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -13.743 -11.894 -3.681 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -13.605 -9.532 -4.420 1.00 2.26 H new ATOM 566 N CYS A 36 -12.318 -11.554 0.638 1.00 0.65 N ATOM 567 CA CYS A 36 -11.325 -11.858 -0.431 1.00 0.67 C ATOM 568 C CYS A 36 -10.527 -13.111 -0.057 1.00 0.84 C ATOM 569 O CYS A 36 -10.019 -13.229 1.041 1.00 1.63 O ATOM 570 CB CYS A 36 -10.419 -10.629 -0.477 1.00 0.58 C ATOM 571 SG CYS A 36 -9.239 -10.791 -1.837 1.00 1.07 S ATOM 0 H CYS A 36 -12.212 -10.643 1.084 1.00 0.65 H new ATOM 0 HA CYS A 36 -11.789 -12.056 -1.397 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -11.019 -9.728 -0.609 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -9.887 -10.522 0.468 1.00 0.58 H new ATOM 576 N GLY A 37 -10.418 -14.052 -0.955 1.00 0.96 N ATOM 577 CA GLY A 37 -9.662 -15.298 -0.639 1.00 1.08 C ATOM 578 C GLY A 37 -8.222 -15.182 -1.144 1.00 1.00 C ATOM 579 O GLY A 37 -7.324 -15.818 -0.628 1.00 1.83 O ATOM 0 H GLY A 37 -10.819 -14.012 -1.892 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -9.665 -15.472 0.437 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -10.150 -16.156 -1.102 1.00 1.08 H new ATOM 583 N HIS A 38 -7.991 -14.383 -2.148 1.00 0.89 N ATOM 584 CA HIS A 38 -6.603 -14.242 -2.679 1.00 0.97 C ATOM 585 C HIS A 38 -5.900 -13.032 -2.057 1.00 0.88 C ATOM 586 O HIS A 38 -4.845 -12.623 -2.501 1.00 1.13 O ATOM 587 CB HIS A 38 -6.778 -14.043 -4.183 1.00 1.32 C ATOM 588 CG HIS A 38 -5.575 -14.587 -4.904 1.00 1.72 C ATOM 589 ND1 HIS A 38 -4.360 -13.922 -4.918 1.00 2.39 N ATOM 590 CD2 HIS A 38 -5.386 -15.731 -5.639 1.00 2.35 C ATOM 591 CE1 HIS A 38 -3.500 -14.664 -5.639 1.00 2.85 C ATOM 592 NE2 HIS A 38 -4.075 -15.778 -6.102 1.00 2.87 N ATOM 0 H HIS A 38 -8.699 -13.823 -2.623 1.00 0.89 H new ATOM 0 HA HIS A 38 -5.988 -15.111 -2.445 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -7.680 -14.550 -4.525 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -6.902 -12.984 -4.409 1.00 1.32 H new ATOM 0 HD1 HIS A 38 -4.155 -13.032 -4.464 1.00 2.39 H new ATOM 0 HD2 HIS A 38 -6.140 -16.480 -5.829 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -2.471 -14.393 -5.821 1.00 2.85 H new ATOM 600 N CYS A 39 -6.465 -12.458 -1.030 1.00 0.79 N ATOM 601 CA CYS A 39 -5.812 -11.281 -0.388 1.00 0.88 C ATOM 602 C CYS A 39 -4.933 -11.732 0.785 1.00 0.82 C ATOM 603 O CYS A 39 -4.172 -10.956 1.332 1.00 1.00 O ATOM 604 CB CYS A 39 -6.965 -10.408 0.104 1.00 1.08 C ATOM 605 SG CYS A 39 -7.724 -9.574 -1.310 1.00 1.00 S ATOM 0 H CYS A 39 -7.347 -12.751 -0.609 1.00 0.79 H new ATOM 0 HA CYS A 39 -5.161 -10.743 -1.078 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -7.705 -11.019 0.621 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -6.600 -9.673 0.822 1.00 1.08 H new ATOM 610 N LYS A 40 -5.023 -12.975 1.177 1.00 0.78 N ATOM 611 CA LYS A 40 -4.187 -13.461 2.310 1.00 0.94 C ATOM 612 C LYS A 40 -2.862 -14.020 1.784 1.00 0.84 C ATOM 613 O LYS A 40 -1.883 -14.096 2.500 1.00 0.94 O ATOM 614 CB LYS A 40 -5.014 -14.568 2.965 1.00 1.21 C ATOM 615 CG LYS A 40 -6.299 -13.970 3.543 1.00 1.56 C ATOM 616 CD LYS A 40 -7.406 -15.028 3.532 1.00 2.11 C ATOM 617 CE LYS A 40 -7.867 -15.300 4.965 1.00 2.72 C ATOM 618 NZ LYS A 40 -7.094 -16.498 5.398 1.00 3.29 N ATOM 0 H LYS A 40 -5.639 -13.673 0.761 1.00 0.78 H new ATOM 0 HA LYS A 40 -3.940 -12.666 3.014 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -5.256 -15.338 2.232 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -4.437 -15.049 3.755 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -6.125 -13.622 4.561 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -6.604 -13.103 2.957 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -8.246 -14.685 2.928 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -7.040 -15.948 3.076 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -7.667 -14.446 5.613 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -8.940 -15.487 5.006 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -7.356 -16.746 6.373 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -7.309 -17.297 4.768 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -6.076 -16.288 5.356 1.00 3.29 H new ATOM 632 N ALA A 41 -2.821 -14.414 0.540 1.00 0.77 N ATOM 633 CA ALA A 41 -1.557 -14.969 -0.026 1.00 0.86 C ATOM 634 C ALA A 41 -0.404 -13.978 0.169 1.00 0.75 C ATOM 635 O ALA A 41 0.732 -14.365 0.365 1.00 0.90 O ATOM 636 CB ALA A 41 -1.843 -15.174 -1.514 1.00 0.93 C ATOM 0 H ALA A 41 -3.607 -14.376 -0.109 1.00 0.77 H new ATOM 0 HA ALA A 41 -1.261 -15.897 0.464 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -0.958 -15.581 -2.002 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -2.675 -15.869 -1.632 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -2.101 -14.218 -1.970 1.00 0.93 H new ATOM 642 N LEU A 42 -0.684 -12.704 0.114 1.00 0.65 N ATOM 643 CA LEU A 42 0.397 -11.692 0.295 1.00 0.67 C ATOM 644 C LEU A 42 0.061 -10.766 1.466 1.00 0.63 C ATOM 645 O LEU A 42 0.512 -9.640 1.531 1.00 0.70 O ATOM 646 CB LEU A 42 0.425 -10.905 -1.015 1.00 0.82 C ATOM 647 CG LEU A 42 1.824 -10.325 -1.234 1.00 0.86 C ATOM 648 CD1 LEU A 42 2.773 -11.436 -1.687 1.00 1.24 C ATOM 649 CD2 LEU A 42 1.760 -9.239 -2.311 1.00 1.37 C ATOM 0 H LEU A 42 -1.615 -12.320 -0.048 1.00 0.65 H new ATOM 0 HA LEU A 42 1.360 -12.151 0.517 1.00 0.67 H new ATOM 0 HB2 LEU A 42 0.155 -11.555 -1.847 1.00 0.82 H new ATOM 0 HB3 LEU A 42 -0.312 -10.103 -0.985 1.00 0.82 H new ATOM 0 HG LEU A 42 2.189 -9.894 -0.302 1.00 0.86 H new ATOM 0 HD11 LEU A 42 3.769 -11.022 -1.843 1.00 1.24 H new ATOM 0 HD12 LEU A 42 2.817 -12.211 -0.922 1.00 1.24 H new ATOM 0 HD13 LEU A 42 2.409 -11.867 -2.620 1.00 1.24 H new ATOM 0 HD21 LEU A 42 2.755 -8.824 -2.469 1.00 1.37 H new ATOM 0 HD22 LEU A 42 1.395 -9.672 -3.243 1.00 1.37 H new ATOM 0 HD23 LEU A 42 1.084 -8.447 -1.989 1.00 1.37 H new ATOM 661 N ALA A 43 -0.731 -11.234 2.392 1.00 0.71 N ATOM 662 CA ALA A 43 -1.102 -10.385 3.559 1.00 0.73 C ATOM 663 C ALA A 43 0.096 -10.200 4.499 1.00 0.67 C ATOM 664 O ALA A 43 0.456 -9.086 4.821 1.00 0.65 O ATOM 665 CB ALA A 43 -2.221 -11.149 4.265 1.00 0.88 C ATOM 0 H ALA A 43 -1.138 -12.169 2.390 1.00 0.71 H new ATOM 0 HA ALA A 43 -1.415 -9.387 3.252 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -2.550 -10.587 5.139 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -3.059 -11.281 3.581 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -1.853 -12.125 4.579 1.00 0.88 H new ATOM 671 N PRO A 44 0.673 -11.299 4.922 1.00 0.69 N ATOM 672 CA PRO A 44 1.828 -11.228 5.846 1.00 0.70 C ATOM 673 C PRO A 44 3.099 -10.799 5.108 1.00 0.59 C ATOM 674 O PRO A 44 4.033 -10.314 5.712 1.00 0.65 O ATOM 675 CB PRO A 44 1.967 -12.646 6.369 1.00 0.83 C ATOM 676 CG PRO A 44 1.352 -13.515 5.317 1.00 0.84 C ATOM 677 CD PRO A 44 0.308 -12.690 4.606 1.00 0.76 C ATOM 0 HA PRO A 44 1.680 -10.496 6.640 1.00 0.70 H new ATOM 0 HB2 PRO A 44 3.013 -12.905 6.531 1.00 0.83 H new ATOM 0 HB3 PRO A 44 1.457 -12.765 7.325 1.00 0.83 H new ATOM 0 HG2 PRO A 44 2.110 -13.863 4.615 1.00 0.84 H new ATOM 0 HG3 PRO A 44 0.902 -14.401 5.765 1.00 0.84 H new ATOM 0 HD2 PRO A 44 0.321 -12.871 3.531 1.00 0.76 H new ATOM 0 HD3 PRO A 44 -0.696 -12.928 4.958 1.00 0.76 H new ATOM 685 N GLU A 45 3.137 -10.935 3.809 1.00 0.53 N ATOM 686 CA GLU A 45 4.348 -10.488 3.068 1.00 0.46 C ATOM 687 C GLU A 45 4.365 -8.970 3.124 1.00 0.41 C ATOM 688 O GLU A 45 5.396 -8.333 3.205 1.00 0.47 O ATOM 689 CB GLU A 45 4.154 -10.986 1.634 1.00 0.48 C ATOM 690 CG GLU A 45 4.081 -12.514 1.624 1.00 0.61 C ATOM 691 CD GLU A 45 2.751 -12.960 1.011 1.00 1.12 C ATOM 692 OE1 GLU A 45 1.835 -12.155 0.980 1.00 1.90 O ATOM 693 OE2 GLU A 45 2.672 -14.100 0.582 1.00 1.83 O ATOM 0 H GLU A 45 2.391 -11.331 3.237 1.00 0.53 H new ATOM 0 HA GLU A 45 5.286 -10.865 3.474 1.00 0.46 H new ATOM 0 HB2 GLU A 45 3.240 -10.566 1.213 1.00 0.48 H new ATOM 0 HB3 GLU A 45 4.979 -10.648 1.007 1.00 0.48 H new ATOM 0 HG2 GLU A 45 4.913 -12.924 1.051 1.00 0.61 H new ATOM 0 HG3 GLU A 45 4.172 -12.899 2.640 1.00 0.61 H new ATOM 700 N TYR A 46 3.196 -8.405 3.114 1.00 0.43 N ATOM 701 CA TYR A 46 3.050 -6.934 3.200 1.00 0.48 C ATOM 702 C TYR A 46 3.720 -6.422 4.475 1.00 0.52 C ATOM 703 O TYR A 46 4.681 -5.680 4.441 1.00 0.69 O ATOM 704 CB TYR A 46 1.541 -6.730 3.296 1.00 0.64 C ATOM 705 CG TYR A 46 1.131 -5.617 2.393 1.00 0.72 C ATOM 706 CD1 TYR A 46 0.790 -5.889 1.070 1.00 1.02 C ATOM 707 CD2 TYR A 46 1.090 -4.317 2.885 1.00 1.03 C ATOM 708 CE1 TYR A 46 0.402 -4.844 0.223 1.00 1.38 C ATOM 709 CE2 TYR A 46 0.702 -3.265 2.045 1.00 1.39 C ATOM 710 CZ TYR A 46 0.358 -3.530 0.710 1.00 1.50 C ATOM 711 OH TYR A 46 -0.027 -2.497 -0.125 1.00 1.95 O ATOM 0 H TYR A 46 2.315 -8.915 3.048 1.00 0.43 H new ATOM 0 HA TYR A 46 3.503 -6.408 2.359 1.00 0.48 H new ATOM 0 HB2 TYR A 46 1.021 -7.647 3.019 1.00 0.64 H new ATOM 0 HB3 TYR A 46 1.259 -6.501 4.324 1.00 0.64 H new ATOM 0 HD1 TYR A 46 0.825 -6.903 0.699 1.00 1.02 H new ATOM 0 HD2 TYR A 46 1.357 -4.119 3.913 1.00 1.03 H new ATOM 0 HE1 TYR A 46 0.137 -5.050 -0.804 1.00 1.38 H new ATOM 0 HE2 TYR A 46 0.668 -2.254 2.423 1.00 1.39 H new ATOM 0 HH TYR A 46 -0.236 -1.704 0.411 1.00 1.95 H new ATOM 721 N ALA A 47 3.196 -6.821 5.599 1.00 0.53 N ATOM 722 CA ALA A 47 3.762 -6.377 6.904 1.00 0.62 C ATOM 723 C ALA A 47 5.270 -6.629 6.955 1.00 0.58 C ATOM 724 O ALA A 47 6.014 -5.879 7.555 1.00 0.68 O ATOM 725 CB ALA A 47 3.043 -7.233 7.947 1.00 0.73 C ATOM 0 H ALA A 47 2.391 -7.443 5.671 1.00 0.53 H new ATOM 0 HA ALA A 47 3.620 -5.309 7.071 1.00 0.62 H new ATOM 0 HB1 ALA A 47 3.401 -6.971 8.943 1.00 0.73 H new ATOM 0 HB2 ALA A 47 1.970 -7.053 7.888 1.00 0.73 H new ATOM 0 HB3 ALA A 47 3.245 -8.287 7.755 1.00 0.73 H new ATOM 731 N LYS A 48 5.727 -7.677 6.333 1.00 0.51 N ATOM 732 CA LYS A 48 7.183 -7.974 6.349 1.00 0.55 C ATOM 733 C LYS A 48 7.942 -6.946 5.510 1.00 0.53 C ATOM 734 O LYS A 48 9.147 -6.824 5.604 1.00 0.65 O ATOM 735 CB LYS A 48 7.304 -9.369 5.737 1.00 0.60 C ATOM 736 CG LYS A 48 6.841 -10.422 6.751 1.00 1.03 C ATOM 737 CD LYS A 48 7.665 -10.302 8.033 1.00 1.41 C ATOM 738 CE LYS A 48 7.990 -11.699 8.566 1.00 1.92 C ATOM 739 NZ LYS A 48 8.336 -11.494 10.000 1.00 2.47 N ATOM 0 H LYS A 48 5.154 -8.342 5.813 1.00 0.51 H new ATOM 0 HA LYS A 48 7.605 -7.932 7.353 1.00 0.55 H new ATOM 0 HB2 LYS A 48 6.701 -9.433 4.831 1.00 0.60 H new ATOM 0 HB3 LYS A 48 8.337 -9.560 5.446 1.00 0.60 H new ATOM 0 HG2 LYS A 48 5.783 -10.286 6.974 1.00 1.03 H new ATOM 0 HG3 LYS A 48 6.952 -11.421 6.329 1.00 1.03 H new ATOM 0 HD2 LYS A 48 8.586 -9.754 7.835 1.00 1.41 H new ATOM 0 HD3 LYS A 48 7.111 -9.736 8.782 1.00 1.41 H new ATOM 0 HE2 LYS A 48 7.138 -12.371 8.458 1.00 1.92 H new ATOM 0 HE3 LYS A 48 8.820 -12.146 8.020 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 8.571 -12.409 10.435 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 9.154 -10.856 10.072 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 7.525 -11.073 10.496 1.00 2.47 H new ATOM 753 N ALA A 49 7.250 -6.201 4.691 1.00 0.47 N ATOM 754 CA ALA A 49 7.945 -5.184 3.857 1.00 0.50 C ATOM 755 C ALA A 49 8.144 -3.896 4.660 1.00 0.53 C ATOM 756 O ALA A 49 9.087 -3.160 4.448 1.00 0.65 O ATOM 757 CB ALA A 49 7.019 -4.943 2.665 1.00 0.55 C ATOM 0 H ALA A 49 6.239 -6.253 4.565 1.00 0.47 H new ATOM 0 HA ALA A 49 8.933 -5.514 3.537 1.00 0.50 H new ATOM 0 HB1 ALA A 49 7.465 -4.202 2.002 1.00 0.55 H new ATOM 0 HB2 ALA A 49 6.875 -5.877 2.121 1.00 0.55 H new ATOM 0 HB3 ALA A 49 6.055 -4.578 3.021 1.00 0.55 H new ATOM 763 N ALA A 50 7.265 -3.625 5.585 1.00 0.54 N ATOM 764 CA ALA A 50 7.406 -2.389 6.407 1.00 0.65 C ATOM 765 C ALA A 50 8.479 -2.595 7.479 1.00 0.65 C ATOM 766 O ALA A 50 9.051 -1.653 7.989 1.00 0.77 O ATOM 767 CB ALA A 50 6.037 -2.183 7.055 1.00 0.76 C ATOM 0 H ALA A 50 6.456 -4.205 5.807 1.00 0.54 H new ATOM 0 HA ALA A 50 7.707 -1.527 5.811 1.00 0.65 H new ATOM 0 HB1 ALA A 50 6.060 -1.289 7.678 1.00 0.76 H new ATOM 0 HB2 ALA A 50 5.281 -2.064 6.279 1.00 0.76 H new ATOM 0 HB3 ALA A 50 5.792 -3.048 7.671 1.00 0.76 H new ATOM 773 N GLY A 51 8.756 -3.823 7.823 1.00 0.59 N ATOM 774 CA GLY A 51 9.792 -4.091 8.859 1.00 0.69 C ATOM 775 C GLY A 51 11.181 -3.924 8.241 1.00 0.78 C ATOM 776 O GLY A 51 12.136 -3.598 8.917 1.00 0.90 O ATOM 0 H GLY A 51 8.309 -4.652 7.431 1.00 0.59 H new ATOM 0 HA2 GLY A 51 9.670 -3.405 9.698 1.00 0.69 H new ATOM 0 HA3 GLY A 51 9.676 -5.101 9.253 1.00 0.69 H new ATOM 780 N LYS A 52 11.302 -4.146 6.960 1.00 0.80 N ATOM 781 CA LYS A 52 12.632 -3.999 6.303 1.00 1.01 C ATOM 782 C LYS A 52 13.108 -2.545 6.389 1.00 1.12 C ATOM 783 O LYS A 52 14.183 -2.262 6.880 1.00 1.31 O ATOM 784 CB LYS A 52 12.402 -4.404 4.848 1.00 1.15 C ATOM 785 CG LYS A 52 12.136 -5.909 4.776 1.00 1.49 C ATOM 786 CD LYS A 52 13.441 -6.640 4.459 1.00 1.97 C ATOM 787 CE LYS A 52 13.713 -6.574 2.954 1.00 2.64 C ATOM 788 NZ LYS A 52 14.284 -7.906 2.608 1.00 3.08 N ATOM 0 H LYS A 52 10.539 -4.422 6.342 1.00 0.80 H new ATOM 0 HA LYS A 52 13.398 -4.611 6.779 1.00 1.01 H new ATOM 0 HB2 LYS A 52 11.556 -3.854 4.435 1.00 1.15 H new ATOM 0 HB3 LYS A 52 13.274 -4.148 4.246 1.00 1.15 H new ATOM 0 HG2 LYS A 52 11.728 -6.263 5.723 1.00 1.49 H new ATOM 0 HG3 LYS A 52 11.391 -6.122 4.009 1.00 1.49 H new ATOM 0 HD2 LYS A 52 14.266 -6.187 5.008 1.00 1.97 H new ATOM 0 HD3 LYS A 52 13.376 -7.679 4.782 1.00 1.97 H new ATOM 0 HE2 LYS A 52 12.797 -6.380 2.395 1.00 2.64 H new ATOM 0 HE3 LYS A 52 14.410 -5.771 2.713 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 14.497 -7.939 1.591 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 15.158 -8.060 3.150 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 13.596 -8.650 2.842 1.00 3.08 H new ATOM 802 N LEU A 53 12.317 -1.621 5.915 1.00 1.12 N ATOM 803 CA LEU A 53 12.725 -0.187 5.972 1.00 1.33 C ATOM 804 C LEU A 53 12.877 0.266 7.428 1.00 1.30 C ATOM 805 O LEU A 53 13.521 1.254 7.716 1.00 1.50 O ATOM 806 CB LEU A 53 11.592 0.578 5.287 1.00 1.55 C ATOM 807 CG LEU A 53 10.293 0.373 6.066 1.00 1.47 C ATOM 808 CD1 LEU A 53 10.093 1.536 7.041 1.00 2.07 C ATOM 809 CD2 LEU A 53 9.115 0.321 5.090 1.00 1.82 C ATOM 0 H LEU A 53 11.406 -1.796 5.491 1.00 1.12 H new ATOM 0 HA LEU A 53 13.685 -0.014 5.485 1.00 1.33 H new ATOM 0 HB2 LEU A 53 11.834 1.640 5.237 1.00 1.55 H new ATOM 0 HB3 LEU A 53 11.472 0.229 4.261 1.00 1.55 H new ATOM 0 HG LEU A 53 10.348 -0.563 6.622 1.00 1.47 H new ATOM 0 HD11 LEU A 53 9.167 1.390 7.597 1.00 2.07 H new ATOM 0 HD12 LEU A 53 10.931 1.576 7.737 1.00 2.07 H new ATOM 0 HD13 LEU A 53 10.039 2.472 6.485 1.00 2.07 H new ATOM 0 HD21 LEU A 53 8.189 0.175 5.645 1.00 1.82 H new ATOM 0 HD22 LEU A 53 9.061 1.257 4.534 1.00 1.82 H new ATOM 0 HD23 LEU A 53 9.255 -0.506 4.394 1.00 1.82 H new ATOM 821 N LYS A 54 12.286 -0.449 8.347 1.00 1.20 N ATOM 822 CA LYS A 54 12.399 -0.055 9.781 1.00 1.35 C ATOM 823 C LYS A 54 13.870 0.007 10.199 1.00 1.40 C ATOM 824 O LYS A 54 14.282 0.892 10.924 1.00 1.67 O ATOM 825 CB LYS A 54 11.669 -1.157 10.550 1.00 1.46 C ATOM 826 CG LYS A 54 10.959 -0.549 11.761 1.00 1.91 C ATOM 827 CD LYS A 54 9.670 0.138 11.304 1.00 2.50 C ATOM 828 CE LYS A 54 8.825 0.500 12.527 1.00 2.87 C ATOM 829 NZ LYS A 54 8.168 1.789 12.170 1.00 3.88 N ATOM 0 H LYS A 54 11.732 -1.286 8.168 1.00 1.20 H new ATOM 0 HA LYS A 54 11.974 0.930 9.974 1.00 1.35 H new ATOM 0 HB2 LYS A 54 10.946 -1.650 9.901 1.00 1.46 H new ATOM 0 HB3 LYS A 54 12.377 -1.919 10.875 1.00 1.46 H new ATOM 0 HG2 LYS A 54 10.731 -1.326 12.490 1.00 1.91 H new ATOM 0 HG3 LYS A 54 11.612 0.170 12.255 1.00 1.91 H new ATOM 0 HD2 LYS A 54 9.906 1.036 10.733 1.00 2.50 H new ATOM 0 HD3 LYS A 54 9.108 -0.522 10.643 1.00 2.50 H new ATOM 0 HE2 LYS A 54 8.087 -0.274 12.741 1.00 2.87 H new ATOM 0 HE3 LYS A 54 9.444 0.605 13.418 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 7.570 2.104 12.960 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 8.895 2.508 11.978 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 7.580 1.656 11.322 1.00 3.88 H new ATOM 843 N ALA A 55 14.663 -0.924 9.748 1.00 1.63 N ATOM 844 CA ALA A 55 16.107 -0.920 10.121 1.00 2.20 C ATOM 845 C ALA A 55 16.903 -0.058 9.137 1.00 2.03 C ATOM 846 O ALA A 55 17.977 0.420 9.444 1.00 2.38 O ATOM 847 CB ALA A 55 16.540 -2.383 10.026 1.00 2.78 C ATOM 0 H ALA A 55 14.375 -1.688 9.137 1.00 1.63 H new ATOM 0 HA ALA A 55 16.279 -0.507 11.115 1.00 2.20 H new ATOM 0 HB1 ALA A 55 17.595 -2.468 10.286 1.00 2.78 H new ATOM 0 HB2 ALA A 55 15.947 -2.984 10.716 1.00 2.78 H new ATOM 0 HB3 ALA A 55 16.387 -2.742 9.008 1.00 2.78 H new ATOM 853 N GLU A 56 16.383 0.144 7.957 1.00 1.67 N ATOM 854 CA GLU A 56 17.109 0.976 6.955 1.00 1.70 C ATOM 855 C GLU A 56 16.759 2.453 7.141 1.00 1.53 C ATOM 856 O GLU A 56 17.546 3.331 6.846 1.00 1.98 O ATOM 857 CB GLU A 56 16.620 0.476 5.596 1.00 1.99 C ATOM 858 CG GLU A 56 17.619 -0.540 5.037 1.00 2.69 C ATOM 859 CD GLU A 56 17.677 -0.413 3.513 1.00 3.21 C ATOM 860 OE1 GLU A 56 18.032 0.654 3.041 1.00 3.64 O ATOM 861 OE2 GLU A 56 17.366 -1.385 2.845 1.00 3.63 O ATOM 0 H GLU A 56 15.488 -0.231 7.643 1.00 1.67 H new ATOM 0 HA GLU A 56 18.191 0.892 7.055 1.00 1.70 H new ATOM 0 HB2 GLU A 56 15.637 0.017 5.698 1.00 1.99 H new ATOM 0 HB3 GLU A 56 16.511 1.313 4.906 1.00 1.99 H new ATOM 0 HG2 GLU A 56 18.607 -0.368 5.465 1.00 2.69 H new ATOM 0 HG3 GLU A 56 17.322 -1.550 5.317 1.00 2.69 H new ATOM 868 N GLY A 57 15.583 2.734 7.630 1.00 1.58 N ATOM 869 CA GLY A 57 15.178 4.152 7.837 1.00 2.25 C ATOM 870 C GLY A 57 14.825 4.785 6.489 1.00 1.97 C ATOM 871 O GLY A 57 15.018 5.967 6.278 1.00 2.50 O ATOM 0 H GLY A 57 14.884 2.041 7.896 1.00 1.58 H new ATOM 0 HA2 GLY A 57 14.322 4.202 8.509 1.00 2.25 H new ATOM 0 HA3 GLY A 57 15.988 4.707 8.310 1.00 2.25 H new ATOM 875 N SER A 58 14.309 4.010 5.574 1.00 1.30 N ATOM 876 CA SER A 58 13.945 4.570 4.242 1.00 1.23 C ATOM 877 C SER A 58 12.779 5.553 4.383 1.00 1.03 C ATOM 878 O SER A 58 12.136 5.627 5.411 1.00 1.27 O ATOM 879 CB SER A 58 13.528 3.362 3.406 1.00 1.53 C ATOM 880 OG SER A 58 14.626 2.934 2.613 1.00 2.13 O ATOM 0 H SER A 58 14.124 3.014 5.692 1.00 1.30 H new ATOM 0 HA SER A 58 14.769 5.118 3.785 1.00 1.23 H new ATOM 0 HB2 SER A 58 13.198 2.552 4.057 1.00 1.53 H new ATOM 0 HB3 SER A 58 12.684 3.622 2.767 1.00 1.53 H new ATOM 0 HG SER A 58 14.360 2.158 2.077 1.00 2.13 H new ATOM 886 N GLU A 59 12.500 6.307 3.355 1.00 0.85 N ATOM 887 CA GLU A 59 11.376 7.284 3.430 1.00 0.87 C ATOM 888 C GLU A 59 10.138 6.724 2.725 1.00 0.76 C ATOM 889 O GLU A 59 9.311 7.461 2.225 1.00 1.06 O ATOM 890 CB GLU A 59 11.883 8.532 2.710 1.00 1.10 C ATOM 891 CG GLU A 59 12.270 8.172 1.273 1.00 1.05 C ATOM 892 CD GLU A 59 12.069 9.389 0.369 1.00 1.58 C ATOM 893 OE1 GLU A 59 10.952 9.593 -0.079 1.00 2.22 O ATOM 894 OE2 GLU A 59 13.035 10.098 0.139 1.00 2.13 O ATOM 0 H GLU A 59 13.001 6.289 2.467 1.00 0.85 H new ATOM 0 HA GLU A 59 11.086 7.498 4.459 1.00 0.87 H new ATOM 0 HB2 GLU A 59 11.112 9.302 2.708 1.00 1.10 H new ATOM 0 HB3 GLU A 59 12.743 8.944 3.237 1.00 1.10 H new ATOM 0 HG2 GLU A 59 13.310 7.846 1.236 1.00 1.05 H new ATOM 0 HG3 GLU A 59 11.662 7.339 0.919 1.00 1.05 H new ATOM 901 N ILE A 60 10.002 5.426 2.682 1.00 0.59 N ATOM 902 CA ILE A 60 8.814 4.823 2.010 1.00 0.57 C ATOM 903 C ILE A 60 7.852 4.247 3.055 1.00 0.52 C ATOM 904 O ILE A 60 8.259 3.567 3.977 1.00 0.63 O ATOM 905 CB ILE A 60 9.375 3.715 1.112 1.00 0.68 C ATOM 906 CG1 ILE A 60 9.995 2.606 1.975 1.00 1.46 C ATOM 907 CG2 ILE A 60 10.444 4.303 0.188 1.00 1.34 C ATOM 908 CD1 ILE A 60 10.594 1.527 1.072 1.00 1.60 C ATOM 0 H ILE A 60 10.661 4.758 3.082 1.00 0.59 H new ATOM 0 HA ILE A 60 8.250 5.556 1.434 1.00 0.57 H new ATOM 0 HB ILE A 60 8.567 3.292 0.515 1.00 0.68 H new ATOM 0 HG12 ILE A 60 10.767 3.023 2.621 1.00 1.46 H new ATOM 0 HG13 ILE A 60 9.236 2.170 2.625 1.00 1.46 H new ATOM 0 HG21 ILE A 60 10.845 3.517 -0.452 1.00 1.34 H new ATOM 0 HG22 ILE A 60 10.001 5.083 -0.431 1.00 1.34 H new ATOM 0 HG23 ILE A 60 11.249 4.728 0.787 1.00 1.34 H new ATOM 0 HD11 ILE A 60 11.033 0.741 1.686 1.00 1.60 H new ATOM 0 HD12 ILE A 60 9.811 1.102 0.444 1.00 1.60 H new ATOM 0 HD13 ILE A 60 11.365 1.968 0.441 1.00 1.60 H new ATOM 920 N ARG A 61 6.583 4.516 2.921 1.00 0.45 N ATOM 921 CA ARG A 61 5.603 3.985 3.911 1.00 0.45 C ATOM 922 C ARG A 61 4.702 2.929 3.263 1.00 0.41 C ATOM 923 O ARG A 61 4.573 2.861 2.057 1.00 0.55 O ATOM 924 CB ARG A 61 4.780 5.202 4.338 1.00 0.51 C ATOM 925 CG ARG A 61 5.172 5.612 5.757 1.00 0.75 C ATOM 926 CD ARG A 61 4.576 4.619 6.756 1.00 0.97 C ATOM 927 NE ARG A 61 5.751 3.948 7.378 1.00 1.30 N ATOM 928 CZ ARG A 61 5.762 3.707 8.660 1.00 1.66 C ATOM 929 NH1 ARG A 61 5.093 2.693 9.137 1.00 2.19 N ATOM 930 NH2 ARG A 61 6.442 4.478 9.463 1.00 2.21 N ATOM 0 H ARG A 61 6.182 5.079 2.171 1.00 0.45 H new ATOM 0 HA ARG A 61 6.093 3.501 4.756 1.00 0.45 H new ATOM 0 HB2 ARG A 61 4.951 6.029 3.649 1.00 0.51 H new ATOM 0 HB3 ARG A 61 3.716 4.967 4.297 1.00 0.51 H new ATOM 0 HG2 ARG A 61 6.257 5.635 5.854 1.00 0.75 H new ATOM 0 HG3 ARG A 61 4.812 6.619 5.969 1.00 0.75 H new ATOM 0 HD2 ARG A 61 3.970 5.128 7.505 1.00 0.97 H new ATOM 0 HD3 ARG A 61 3.928 3.898 6.258 1.00 0.97 H new ATOM 0 HE ARG A 61 6.547 3.677 6.801 1.00 1.30 H new ATOM 0 HH11 ARG A 61 4.563 2.090 8.508 1.00 2.19 H new ATOM 0 HH12 ARG A 61 5.101 2.503 10.139 1.00 2.19 H new ATOM 0 HH21 ARG A 61 6.965 5.269 9.089 1.00 2.21 H new ATOM 0 HH22 ARG A 61 6.450 4.289 10.465 1.00 2.21 H new ATOM 944 N LEU A 62 4.076 2.108 4.061 1.00 0.35 N ATOM 945 CA LEU A 62 3.176 1.057 3.502 1.00 0.36 C ATOM 946 C LEU A 62 1.802 1.144 4.171 1.00 0.32 C ATOM 947 O LEU A 62 1.698 1.421 5.349 1.00 0.38 O ATOM 948 CB LEU A 62 3.858 -0.271 3.839 1.00 0.48 C ATOM 949 CG LEU A 62 4.609 -0.786 2.611 1.00 0.73 C ATOM 950 CD1 LEU A 62 5.875 -1.521 3.059 1.00 1.22 C ATOM 951 CD2 LEU A 62 3.711 -1.748 1.830 1.00 1.59 C ATOM 0 H LEU A 62 4.149 2.119 5.078 1.00 0.35 H new ATOM 0 HA LEU A 62 3.019 1.168 2.429 1.00 0.36 H new ATOM 0 HB2 LEU A 62 4.549 -0.136 4.671 1.00 0.48 H new ATOM 0 HB3 LEU A 62 3.115 -1.003 4.157 1.00 0.48 H new ATOM 0 HG LEU A 62 4.882 0.055 1.973 1.00 0.73 H new ATOM 0 HD11 LEU A 62 6.411 -1.889 2.184 1.00 1.22 H new ATOM 0 HD12 LEU A 62 6.515 -0.837 3.616 1.00 1.22 H new ATOM 0 HD13 LEU A 62 5.601 -2.362 3.696 1.00 1.22 H new ATOM 0 HD21 LEU A 62 4.246 -2.115 0.954 1.00 1.59 H new ATOM 0 HD22 LEU A 62 3.437 -2.589 2.467 1.00 1.59 H new ATOM 0 HD23 LEU A 62 2.809 -1.226 1.511 1.00 1.59 H new ATOM 963 N ALA A 63 0.745 0.923 3.435 1.00 0.30 N ATOM 964 CA ALA A 63 -0.608 1.012 4.056 1.00 0.32 C ATOM 965 C ALA A 63 -1.590 0.045 3.387 1.00 0.31 C ATOM 966 O ALA A 63 -1.318 -0.522 2.345 1.00 0.37 O ATOM 967 CB ALA A 63 -1.048 2.459 3.834 1.00 0.37 C ATOM 0 H ALA A 63 0.759 0.688 2.443 1.00 0.30 H new ATOM 0 HA ALA A 63 -0.585 0.742 5.112 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -2.039 2.608 4.264 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.339 3.133 4.315 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -1.081 2.669 2.765 1.00 0.37 H new ATOM 973 N LYS A 64 -2.737 -0.140 3.982 1.00 0.30 N ATOM 974 CA LYS A 64 -3.746 -1.064 3.391 1.00 0.32 C ATOM 975 C LYS A 64 -5.149 -0.472 3.533 1.00 0.32 C ATOM 976 O LYS A 64 -5.376 0.430 4.315 1.00 0.40 O ATOM 977 CB LYS A 64 -3.620 -2.359 4.195 1.00 0.38 C ATOM 978 CG LYS A 64 -3.916 -2.078 5.670 1.00 1.39 C ATOM 979 CD LYS A 64 -4.250 -3.390 6.384 1.00 1.60 C ATOM 980 CE LYS A 64 -3.006 -4.280 6.427 1.00 2.04 C ATOM 981 NZ LYS A 64 -3.489 -5.630 6.018 1.00 2.26 N ATOM 0 H LYS A 64 -3.019 0.310 4.853 1.00 0.30 H new ATOM 0 HA LYS A 64 -3.580 -1.232 2.327 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -4.314 -3.107 3.810 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -2.616 -2.770 4.087 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -3.054 -1.605 6.141 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -4.750 -1.381 5.758 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -4.600 -3.187 7.396 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -5.059 -3.903 5.864 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -2.234 -3.914 5.750 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -2.570 -4.302 7.426 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -2.693 -6.299 6.022 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -4.218 -5.955 6.685 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -3.893 -5.579 5.061 1.00 2.26 H new ATOM 995 N VAL A 65 -6.092 -0.969 2.780 1.00 0.30 N ATOM 996 CA VAL A 65 -7.476 -0.428 2.870 1.00 0.32 C ATOM 997 C VAL A 65 -8.481 -1.570 3.011 1.00 0.31 C ATOM 998 O VAL A 65 -8.254 -2.673 2.555 1.00 0.36 O ATOM 999 CB VAL A 65 -7.697 0.313 1.549 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -9.149 0.801 1.464 1.00 0.45 C ATOM 1001 CG2 VAL A 65 -6.744 1.508 1.465 1.00 0.70 C ATOM 0 H VAL A 65 -5.963 -1.725 2.108 1.00 0.30 H new ATOM 0 HA VAL A 65 -7.608 0.223 3.734 1.00 0.32 H new ATOM 0 HB VAL A 65 -7.499 -0.365 0.719 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -9.301 1.328 0.522 1.00 0.45 H new ATOM 0 HG12 VAL A 65 -9.824 -0.054 1.515 1.00 0.45 H new ATOM 0 HG13 VAL A 65 -9.355 1.476 2.295 1.00 0.45 H new ATOM 0 HG21 VAL A 65 -6.903 2.034 0.524 1.00 0.70 H new ATOM 0 HG22 VAL A 65 -6.936 2.186 2.297 1.00 0.70 H new ATOM 0 HG23 VAL A 65 -5.714 1.156 1.514 1.00 0.70 H new ATOM 1011 N ASP A 66 -9.597 -1.308 3.627 1.00 0.35 N ATOM 1012 CA ASP A 66 -10.625 -2.369 3.784 1.00 0.39 C ATOM 1013 C ASP A 66 -11.771 -2.123 2.802 1.00 0.40 C ATOM 1014 O ASP A 66 -12.681 -1.370 3.075 1.00 0.44 O ATOM 1015 CB ASP A 66 -11.114 -2.242 5.227 1.00 0.47 C ATOM 1016 CG ASP A 66 -10.232 -3.096 6.141 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -9.068 -2.760 6.289 1.00 1.30 O ATOM 1018 OD2 ASP A 66 -10.733 -4.070 6.675 1.00 1.38 O ATOM 0 H ASP A 66 -9.842 -0.403 4.029 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.233 -3.365 3.580 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.082 -1.199 5.543 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -12.152 -2.565 5.300 1.00 0.47 H new ATOM 1023 N ALA A 67 -11.729 -2.749 1.653 1.00 0.40 N ATOM 1024 CA ALA A 67 -12.817 -2.551 0.646 1.00 0.46 C ATOM 1025 C ALA A 67 -14.191 -2.684 1.310 1.00 0.51 C ATOM 1026 O ALA A 67 -15.169 -2.122 0.859 1.00 0.57 O ATOM 1027 CB ALA A 67 -12.607 -3.661 -0.384 1.00 0.51 C ATOM 0 H ALA A 67 -10.988 -3.389 1.368 1.00 0.40 H new ATOM 0 HA ALA A 67 -12.783 -1.560 0.192 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -13.368 -3.586 -1.161 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -11.619 -3.559 -0.833 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -12.684 -4.632 0.106 1.00 0.51 H new ATOM 1033 N THR A 68 -14.268 -3.417 2.387 1.00 0.53 N ATOM 1034 CA THR A 68 -15.575 -3.579 3.089 1.00 0.62 C ATOM 1035 C THR A 68 -15.723 -2.512 4.179 1.00 0.64 C ATOM 1036 O THR A 68 -16.495 -2.659 5.106 1.00 0.86 O ATOM 1037 CB THR A 68 -15.528 -4.977 3.711 1.00 0.66 C ATOM 1038 OG1 THR A 68 -16.713 -5.197 4.463 1.00 1.29 O ATOM 1039 CG2 THR A 68 -14.311 -5.090 4.630 1.00 1.35 C ATOM 0 H THR A 68 -13.483 -3.911 2.812 1.00 0.53 H new ATOM 0 HA THR A 68 -16.422 -3.466 2.412 1.00 0.62 H new ATOM 0 HB THR A 68 -15.453 -5.724 2.921 1.00 0.66 H new ATOM 0 HG1 THR A 68 -17.075 -4.337 4.763 1.00 1.29 H new ATOM 0 HG21 THR A 68 -14.280 -6.086 5.072 1.00 1.35 H new ATOM 0 HG22 THR A 68 -13.402 -4.920 4.053 1.00 1.35 H new ATOM 0 HG23 THR A 68 -14.382 -4.344 5.422 1.00 1.35 H new ATOM 1047 N GLU A 69 -14.988 -1.437 4.074 1.00 0.57 N ATOM 1048 CA GLU A 69 -15.083 -0.360 5.098 1.00 0.61 C ATOM 1049 C GLU A 69 -15.029 1.011 4.418 1.00 0.57 C ATOM 1050 O GLU A 69 -15.882 1.850 4.629 1.00 0.66 O ATOM 1051 CB GLU A 69 -13.866 -0.562 6.002 1.00 0.63 C ATOM 1052 CG GLU A 69 -14.179 -0.035 7.405 1.00 0.83 C ATOM 1053 CD GLU A 69 -13.892 1.466 7.462 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -12.833 1.865 7.003 1.00 2.10 O ATOM 1055 OE2 GLU A 69 -14.733 2.193 7.965 1.00 2.22 O ATOM 0 H GLU A 69 -14.324 -1.259 3.320 1.00 0.57 H new ATOM 0 HA GLU A 69 -16.015 -0.402 5.661 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -13.606 -1.619 6.049 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -13.003 -0.039 5.590 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -15.223 -0.226 7.652 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -13.575 -0.560 8.145 1.00 0.83 H new ATOM 1062 N GLU A 70 -14.037 1.246 3.598 1.00 0.52 N ATOM 1063 CA GLU A 70 -13.944 2.563 2.908 1.00 0.57 C ATOM 1064 C GLU A 70 -13.899 2.363 1.390 1.00 0.72 C ATOM 1065 O GLU A 70 -13.106 2.967 0.695 1.00 1.34 O ATOM 1066 CB GLU A 70 -12.644 3.186 3.420 1.00 0.71 C ATOM 1067 CG GLU A 70 -11.456 2.321 2.992 1.00 1.05 C ATOM 1068 CD GLU A 70 -11.967 0.993 2.432 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -12.861 0.422 3.033 1.00 1.89 O ATOM 1070 OE2 GLU A 70 -11.454 0.568 1.409 1.00 1.97 O ATOM 0 H GLU A 70 -13.292 0.585 3.378 1.00 0.52 H new ATOM 0 HA GLU A 70 -14.803 3.202 3.111 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -12.533 4.196 3.025 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -12.673 3.270 4.506 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -10.866 2.842 2.238 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -10.799 2.140 3.843 1.00 1.05 H new ATOM 1077 N SER A 71 -14.753 1.521 0.869 1.00 0.55 N ATOM 1078 CA SER A 71 -14.768 1.282 -0.605 1.00 0.66 C ATOM 1079 C SER A 71 -15.046 2.590 -1.355 1.00 0.70 C ATOM 1080 O SER A 71 -14.805 2.696 -2.542 1.00 0.94 O ATOM 1081 CB SER A 71 -15.901 0.277 -0.830 1.00 0.79 C ATOM 1082 OG SER A 71 -16.476 0.486 -2.113 1.00 1.48 O ATOM 0 H SER A 71 -15.441 0.988 1.401 1.00 0.55 H new ATOM 0 HA SER A 71 -13.813 0.908 -0.973 1.00 0.66 H new ATOM 0 HB2 SER A 71 -15.518 -0.741 -0.753 1.00 0.79 H new ATOM 0 HB3 SER A 71 -16.661 0.391 -0.057 1.00 0.79 H new ATOM 0 HG SER A 71 -17.200 -0.159 -2.256 1.00 1.48 H new ATOM 1088 N ASP A 72 -15.552 3.586 -0.678 1.00 0.67 N ATOM 1089 CA ASP A 72 -15.844 4.881 -1.356 1.00 0.71 C ATOM 1090 C ASP A 72 -14.619 5.371 -2.136 1.00 0.68 C ATOM 1091 O ASP A 72 -14.735 6.148 -3.064 1.00 0.77 O ATOM 1092 CB ASP A 72 -16.182 5.853 -0.227 1.00 0.78 C ATOM 1093 CG ASP A 72 -17.607 6.378 -0.418 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -17.797 7.217 -1.284 1.00 1.83 O ATOM 1095 OD2 ASP A 72 -18.483 5.933 0.304 1.00 1.57 O ATOM 0 H ASP A 72 -15.776 3.558 0.317 1.00 0.67 H new ATOM 0 HA ASP A 72 -16.657 4.789 -2.076 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -16.093 5.353 0.737 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -15.475 6.682 -0.222 1.00 0.78 H new ATOM 1100 N LEU A 73 -13.446 4.928 -1.772 1.00 0.63 N ATOM 1101 CA LEU A 73 -12.225 5.378 -2.501 1.00 0.68 C ATOM 1102 C LEU A 73 -11.823 4.328 -3.533 1.00 0.60 C ATOM 1103 O LEU A 73 -11.440 4.642 -4.643 1.00 0.64 O ATOM 1104 CB LEU A 73 -11.139 5.520 -1.430 1.00 0.83 C ATOM 1105 CG LEU A 73 -11.656 6.387 -0.276 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -11.764 5.537 0.993 1.00 1.22 C ATOM 1107 CD2 LEU A 73 -10.689 7.547 -0.032 1.00 0.97 C ATOM 0 H LEU A 73 -13.280 4.277 -1.005 1.00 0.63 H new ATOM 0 HA LEU A 73 -12.386 6.314 -3.035 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -10.852 4.537 -1.058 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -10.246 5.970 -1.863 1.00 0.83 H new ATOM 0 HG LEU A 73 -12.638 6.783 -0.533 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -12.132 6.153 1.814 1.00 1.22 H new ATOM 0 HD12 LEU A 73 -12.455 4.712 0.821 1.00 1.22 H new ATOM 0 HD13 LEU A 73 -10.782 5.140 1.249 1.00 1.22 H new ATOM 0 HD21 LEU A 73 -11.058 8.162 0.789 1.00 0.97 H new ATOM 0 HD22 LEU A 73 -9.705 7.153 0.224 1.00 0.97 H new ATOM 0 HD23 LEU A 73 -10.613 8.154 -0.934 1.00 0.97 H new ATOM 1119 N ALA A 74 -11.916 3.081 -3.175 1.00 0.57 N ATOM 1120 CA ALA A 74 -11.549 2.002 -4.132 1.00 0.56 C ATOM 1121 C ALA A 74 -12.502 2.027 -5.327 1.00 0.59 C ATOM 1122 O ALA A 74 -12.086 2.139 -6.463 1.00 0.65 O ATOM 1123 CB ALA A 74 -11.708 0.705 -3.338 1.00 0.60 C ATOM 0 H ALA A 74 -12.231 2.760 -2.259 1.00 0.57 H new ATOM 0 HA ALA A 74 -10.539 2.113 -4.527 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -11.456 -0.144 -3.973 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -11.042 0.723 -2.475 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -12.740 0.610 -2.999 1.00 0.60 H new ATOM 1129 N GLN A 75 -13.779 1.936 -5.080 1.00 0.64 N ATOM 1130 CA GLN A 75 -14.755 1.968 -6.204 1.00 0.76 C ATOM 1131 C GLN A 75 -14.559 3.249 -7.015 1.00 0.78 C ATOM 1132 O GLN A 75 -14.857 3.303 -8.192 1.00 0.86 O ATOM 1133 CB GLN A 75 -16.133 1.953 -5.540 1.00 0.87 C ATOM 1134 CG GLN A 75 -17.218 1.849 -6.613 1.00 1.42 C ATOM 1135 CD GLN A 75 -17.364 0.391 -7.055 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -16.436 -0.192 -7.580 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -18.497 -0.227 -6.862 1.00 2.40 N ATOM 0 H GLN A 75 -14.188 1.841 -4.150 1.00 0.64 H new ATOM 0 HA GLN A 75 -14.633 1.129 -6.889 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -16.207 1.112 -4.851 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -16.274 2.860 -4.952 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -18.166 2.218 -6.223 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -16.960 2.475 -7.467 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -19.276 0.262 -6.421 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -18.603 -1.199 -7.152 1.00 2.40 H new ATOM 1146 N GLN A 76 -14.051 4.282 -6.395 1.00 0.76 N ATOM 1147 CA GLN A 76 -13.827 5.555 -7.136 1.00 0.84 C ATOM 1148 C GLN A 76 -12.807 5.327 -8.249 1.00 0.83 C ATOM 1149 O GLN A 76 -12.958 5.803 -9.357 1.00 0.94 O ATOM 1150 CB GLN A 76 -13.275 6.530 -6.097 1.00 0.89 C ATOM 1151 CG GLN A 76 -13.619 7.961 -6.510 1.00 1.14 C ATOM 1152 CD GLN A 76 -12.645 8.935 -5.843 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -12.603 9.036 -4.633 1.00 2.20 O ATOM 1154 NE2 GLN A 76 -11.856 9.660 -6.587 1.00 1.97 N ATOM 0 H GLN A 76 -13.783 4.298 -5.411 1.00 0.76 H new ATOM 0 HA GLN A 76 -14.737 5.934 -7.600 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -13.698 6.311 -5.116 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -12.195 6.414 -6.011 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -13.564 8.061 -7.594 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -14.643 8.198 -6.220 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -11.892 9.574 -7.603 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -11.203 10.312 -6.153 1.00 1.97 H new ATOM 1163 N TYR A 77 -11.768 4.598 -7.958 1.00 0.74 N ATOM 1164 CA TYR A 77 -10.731 4.327 -8.993 1.00 0.81 C ATOM 1165 C TYR A 77 -11.274 3.351 -10.036 1.00 0.83 C ATOM 1166 O TYR A 77 -11.225 3.603 -11.223 1.00 1.00 O ATOM 1167 CB TYR A 77 -9.563 3.710 -8.224 1.00 0.80 C ATOM 1168 CG TYR A 77 -8.902 4.777 -7.384 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -8.245 5.847 -8.004 1.00 1.42 C ATOM 1170 CD2 TYR A 77 -8.951 4.701 -5.987 1.00 1.18 C ATOM 1171 CE1 TYR A 77 -7.634 6.839 -7.227 1.00 1.56 C ATOM 1172 CE2 TYR A 77 -8.341 5.694 -5.210 1.00 1.19 C ATOM 1173 CZ TYR A 77 -7.684 6.763 -5.831 1.00 1.05 C ATOM 1174 OH TYR A 77 -7.085 7.742 -5.065 1.00 1.22 O ATOM 0 H TYR A 77 -11.591 4.177 -7.046 1.00 0.74 H new ATOM 0 HA TYR A 77 -10.431 5.226 -9.531 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -9.918 2.899 -7.589 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -8.842 3.279 -8.919 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -8.209 5.907 -9.082 1.00 1.42 H new ATOM 0 HD2 TYR A 77 -9.459 3.877 -5.508 1.00 1.18 H new ATOM 0 HE1 TYR A 77 -7.124 7.662 -7.705 1.00 1.56 H new ATOM 0 HE2 TYR A 77 -8.377 5.635 -4.132 1.00 1.19 H new ATOM 0 HH TYR A 77 -7.142 7.497 -4.118 1.00 1.22 H new ATOM 1184 N GLY A 78 -11.792 2.237 -9.600 1.00 0.78 N ATOM 1185 CA GLY A 78 -12.340 1.244 -10.565 1.00 0.87 C ATOM 1186 C GLY A 78 -11.716 -0.122 -10.289 1.00 0.88 C ATOM 1187 O GLY A 78 -11.244 -0.794 -11.185 1.00 1.52 O ATOM 0 H GLY A 78 -11.860 1.971 -8.618 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -13.424 1.187 -10.470 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -12.125 1.555 -11.587 1.00 0.87 H new ATOM 1191 N VAL A 79 -11.703 -0.534 -9.053 1.00 0.80 N ATOM 1192 CA VAL A 79 -11.102 -1.855 -8.716 1.00 0.79 C ATOM 1193 C VAL A 79 -12.163 -2.788 -8.123 1.00 1.13 C ATOM 1194 O VAL A 79 -12.863 -2.443 -7.192 1.00 1.54 O ATOM 1195 CB VAL A 79 -10.009 -1.541 -7.689 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -10.599 -0.759 -6.514 1.00 0.72 C ATOM 1197 CG2 VAL A 79 -9.402 -2.844 -7.173 1.00 1.30 C ATOM 0 H VAL A 79 -12.082 -0.014 -8.262 1.00 0.80 H new ATOM 0 HA VAL A 79 -10.699 -2.364 -9.592 1.00 0.79 H new ATOM 0 HB VAL A 79 -9.237 -0.939 -8.168 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -9.813 -0.541 -5.791 1.00 0.72 H new ATOM 0 HG12 VAL A 79 -11.027 0.175 -6.877 1.00 0.72 H new ATOM 0 HG13 VAL A 79 -11.378 -1.353 -6.036 1.00 0.72 H new ATOM 0 HG21 VAL A 79 -8.625 -2.619 -6.443 1.00 1.30 H new ATOM 0 HG22 VAL A 79 -10.179 -3.446 -6.702 1.00 1.30 H new ATOM 0 HG23 VAL A 79 -8.968 -3.398 -8.005 1.00 1.30 H new ATOM 1207 N ARG A 80 -12.286 -3.971 -8.659 1.00 1.27 N ATOM 1208 CA ARG A 80 -13.297 -4.929 -8.131 1.00 1.72 C ATOM 1209 C ARG A 80 -12.668 -6.315 -7.940 1.00 1.38 C ATOM 1210 O ARG A 80 -13.359 -7.310 -7.845 1.00 1.87 O ATOM 1211 CB ARG A 80 -14.382 -4.979 -9.206 1.00 2.38 C ATOM 1212 CG ARG A 80 -15.510 -4.011 -8.841 1.00 2.85 C ATOM 1213 CD ARG A 80 -16.788 -4.412 -9.583 1.00 3.49 C ATOM 1214 NE ARG A 80 -17.395 -3.128 -10.030 1.00 4.06 N ATOM 1215 CZ ARG A 80 -17.648 -2.929 -11.294 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -16.714 -3.127 -12.186 1.00 5.25 N ATOM 1217 NH2 ARG A 80 -18.833 -2.533 -11.670 1.00 5.09 N ATOM 0 H ARG A 80 -11.729 -4.316 -9.441 1.00 1.27 H new ATOM 0 HA ARG A 80 -13.691 -4.624 -7.161 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -13.960 -4.713 -10.175 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -14.773 -5.992 -9.295 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -15.682 -4.026 -7.765 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -15.228 -2.992 -9.105 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -16.565 -5.059 -10.431 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -17.466 -4.963 -8.931 1.00 3.49 H new ATOM 0 HE ARG A 80 -17.613 -2.403 -9.347 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -15.787 -3.437 -11.894 1.00 5.25 H new ATOM 0 HH12 ARG A 80 -16.912 -2.971 -13.175 1.00 5.25 H new ATOM 0 HH21 ARG A 80 -19.563 -2.378 -10.975 1.00 5.09 H new ATOM 0 HH22 ARG A 80 -19.029 -2.378 -12.659 1.00 5.09 H new ATOM 1231 N GLY A 81 -11.364 -6.389 -7.885 1.00 0.87 N ATOM 1232 CA GLY A 81 -10.703 -7.712 -7.703 1.00 0.81 C ATOM 1233 C GLY A 81 -9.494 -7.564 -6.776 1.00 0.74 C ATOM 1234 O GLY A 81 -8.387 -7.320 -7.215 1.00 1.17 O ATOM 0 H GLY A 81 -10.731 -5.592 -7.958 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -11.410 -8.427 -7.283 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -10.386 -8.107 -8.668 1.00 0.81 H new ATOM 1238 N TYR A 82 -9.697 -7.714 -5.495 1.00 0.61 N ATOM 1239 CA TYR A 82 -8.562 -7.586 -4.534 1.00 0.52 C ATOM 1240 C TYR A 82 -7.699 -8.860 -4.579 1.00 0.54 C ATOM 1241 O TYR A 82 -8.157 -9.881 -5.054 1.00 0.61 O ATOM 1242 CB TYR A 82 -9.224 -7.423 -3.157 1.00 0.59 C ATOM 1243 CG TYR A 82 -10.238 -6.303 -3.207 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -9.906 -5.082 -3.806 1.00 0.64 C ATOM 1245 CD2 TYR A 82 -11.513 -6.489 -2.656 1.00 0.97 C ATOM 1246 CE1 TYR A 82 -10.848 -4.048 -3.857 1.00 0.68 C ATOM 1247 CE2 TYR A 82 -12.455 -5.454 -2.706 1.00 1.04 C ATOM 1248 CZ TYR A 82 -12.122 -4.233 -3.305 1.00 0.75 C ATOM 1249 OH TYR A 82 -13.051 -3.214 -3.356 1.00 0.85 O ATOM 0 H TYR A 82 -10.601 -7.920 -5.071 1.00 0.61 H new ATOM 0 HA TYR A 82 -7.906 -6.747 -4.766 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -9.710 -8.354 -2.864 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -8.467 -7.208 -2.402 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -8.923 -4.938 -4.229 1.00 0.64 H new ATOM 0 HD2 TYR A 82 -11.769 -7.430 -2.193 1.00 0.97 H new ATOM 0 HE1 TYR A 82 -10.593 -3.107 -4.322 1.00 0.68 H new ATOM 0 HE2 TYR A 82 -13.438 -5.598 -2.283 1.00 1.04 H new ATOM 0 HH TYR A 82 -13.941 -3.572 -3.154 1.00 0.85 H new ATOM 1259 N PRO A 83 -6.470 -8.781 -4.096 1.00 0.54 N ATOM 1260 CA PRO A 83 -5.910 -7.529 -3.515 1.00 0.51 C ATOM 1261 C PRO A 83 -5.375 -6.608 -4.615 1.00 0.51 C ATOM 1262 O PRO A 83 -4.436 -6.941 -5.309 1.00 0.63 O ATOM 1263 CB PRO A 83 -4.759 -8.024 -2.648 1.00 0.59 C ATOM 1264 CG PRO A 83 -4.336 -9.328 -3.252 1.00 0.66 C ATOM 1265 CD PRO A 83 -5.497 -9.879 -4.045 1.00 0.64 C ATOM 0 HA PRO A 83 -6.654 -6.953 -2.964 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -3.936 -7.309 -2.642 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -5.075 -8.155 -1.613 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -3.469 -9.185 -3.897 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -4.041 -10.030 -2.472 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -5.186 -10.179 -5.046 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -5.921 -10.761 -3.565 1.00 0.64 H new ATOM 1273 N THR A 84 -5.950 -5.448 -4.769 1.00 0.45 N ATOM 1274 CA THR A 84 -5.450 -4.509 -5.813 1.00 0.45 C ATOM 1275 C THR A 84 -4.482 -3.508 -5.180 1.00 0.43 C ATOM 1276 O THR A 84 -4.882 -2.493 -4.645 1.00 0.52 O ATOM 1277 CB THR A 84 -6.695 -3.803 -6.345 1.00 0.48 C ATOM 1278 OG1 THR A 84 -7.597 -4.775 -6.855 1.00 0.67 O ATOM 1279 CG2 THR A 84 -6.298 -2.835 -7.461 1.00 0.56 C ATOM 0 H THR A 84 -6.741 -5.110 -4.220 1.00 0.45 H new ATOM 0 HA THR A 84 -4.910 -5.017 -6.612 1.00 0.45 H new ATOM 0 HB THR A 84 -7.173 -3.245 -5.540 1.00 0.48 H new ATOM 0 HG1 THR A 84 -7.157 -5.651 -6.875 1.00 0.67 H new ATOM 0 HG21 THR A 84 -7.188 -2.332 -7.840 1.00 0.56 H new ATOM 0 HG22 THR A 84 -5.601 -2.094 -7.069 1.00 0.56 H new ATOM 0 HG23 THR A 84 -5.822 -3.388 -8.270 1.00 0.56 H new ATOM 1287 N ILE A 85 -3.210 -3.797 -5.224 1.00 0.41 N ATOM 1288 CA ILE A 85 -2.209 -2.878 -4.613 1.00 0.41 C ATOM 1289 C ILE A 85 -2.059 -1.604 -5.449 1.00 0.41 C ATOM 1290 O ILE A 85 -2.268 -1.604 -6.647 1.00 0.54 O ATOM 1291 CB ILE A 85 -0.903 -3.671 -4.608 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -1.105 -4.980 -3.841 1.00 0.89 C ATOM 1293 CG2 ILE A 85 0.194 -2.848 -3.930 1.00 0.80 C ATOM 1294 CD1 ILE A 85 -0.467 -6.132 -4.619 1.00 1.27 C ATOM 0 H ILE A 85 -2.820 -4.633 -5.659 1.00 0.41 H new ATOM 0 HA ILE A 85 -2.504 -2.559 -3.613 1.00 0.41 H new ATOM 0 HB ILE A 85 -0.609 -3.891 -5.634 1.00 0.50 H new ATOM 0 HG12 ILE A 85 -0.658 -4.905 -2.850 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -2.169 -5.169 -3.698 1.00 0.89 H new ATOM 0 HG21 ILE A 85 1.125 -3.415 -3.927 1.00 0.80 H new ATOM 0 HG22 ILE A 85 0.339 -1.915 -4.475 1.00 0.80 H new ATOM 0 HG23 ILE A 85 -0.099 -2.627 -2.904 1.00 0.80 H new ATOM 0 HD11 ILE A 85 -0.611 -7.064 -4.072 1.00 1.27 H new ATOM 0 HD12 ILE A 85 -0.934 -6.211 -5.601 1.00 1.27 H new ATOM 0 HD13 ILE A 85 0.600 -5.943 -4.739 1.00 1.27 H new ATOM 1306 N LYS A 86 -1.692 -0.520 -4.823 1.00 0.37 N ATOM 1307 CA LYS A 86 -1.517 0.759 -5.571 1.00 0.40 C ATOM 1308 C LYS A 86 -0.443 1.616 -4.894 1.00 0.38 C ATOM 1309 O LYS A 86 -0.317 1.626 -3.685 1.00 0.49 O ATOM 1310 CB LYS A 86 -2.880 1.452 -5.503 1.00 0.48 C ATOM 1311 CG LYS A 86 -3.340 1.813 -6.918 1.00 0.94 C ATOM 1312 CD LYS A 86 -4.354 0.776 -7.405 1.00 1.03 C ATOM 1313 CE LYS A 86 -4.375 0.759 -8.934 1.00 1.37 C ATOM 1314 NZ LYS A 86 -5.724 1.273 -9.304 1.00 1.73 N ATOM 0 H LYS A 86 -1.505 -0.464 -3.822 1.00 0.37 H new ATOM 0 HA LYS A 86 -1.197 0.597 -6.600 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -3.610 0.797 -5.028 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -2.813 2.351 -4.890 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -3.789 2.806 -6.924 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -2.485 1.846 -7.593 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -4.092 -0.211 -7.024 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -5.346 1.013 -7.020 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -3.586 1.387 -9.347 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -4.216 -0.248 -9.320 1.00 1.37 H new ATOM 0 HZ1 LYS A 86 -5.816 1.292 -10.340 1.00 1.73 H new ATOM 0 HZ2 LYS A 86 -6.455 0.651 -8.902 1.00 1.73 H new ATOM 0 HZ3 LYS A 86 -5.844 2.235 -8.928 1.00 1.73 H new ATOM 1328 N PHE A 87 0.337 2.330 -5.659 1.00 0.37 N ATOM 1329 CA PHE A 87 1.403 3.176 -5.049 1.00 0.36 C ATOM 1330 C PHE A 87 1.179 4.651 -5.396 1.00 0.33 C ATOM 1331 O PHE A 87 0.925 5.001 -6.532 1.00 0.37 O ATOM 1332 CB PHE A 87 2.710 2.669 -5.663 1.00 0.42 C ATOM 1333 CG PHE A 87 3.863 3.536 -5.207 1.00 0.46 C ATOM 1334 CD1 PHE A 87 3.954 3.929 -3.867 1.00 0.44 C ATOM 1335 CD2 PHE A 87 4.840 3.947 -6.123 1.00 0.81 C ATOM 1336 CE1 PHE A 87 5.019 4.731 -3.442 1.00 0.46 C ATOM 1337 CE2 PHE A 87 5.905 4.750 -5.699 1.00 0.97 C ATOM 1338 CZ PHE A 87 5.998 5.141 -4.366 1.00 0.72 C ATOM 0 H PHE A 87 0.283 2.365 -6.677 1.00 0.37 H new ATOM 0 HA PHE A 87 1.410 3.108 -3.961 1.00 0.36 H new ATOM 0 HB2 PHE A 87 2.883 1.634 -5.368 1.00 0.42 H new ATOM 0 HB3 PHE A 87 2.641 2.683 -6.751 1.00 0.42 H new ATOM 0 HD1 PHE A 87 3.201 3.613 -3.160 1.00 0.44 H new ATOM 0 HD2 PHE A 87 4.771 3.644 -7.157 1.00 0.81 H new ATOM 0 HE1 PHE A 87 5.089 5.034 -2.408 1.00 0.46 H new ATOM 0 HE2 PHE A 87 6.656 5.067 -6.407 1.00 0.97 H new ATOM 0 HZ PHE A 87 6.822 5.759 -4.041 1.00 0.72 H new ATOM 1348 N PHE A 88 1.274 5.518 -4.425 1.00 0.33 N ATOM 1349 CA PHE A 88 1.071 6.968 -4.695 1.00 0.35 C ATOM 1350 C PHE A 88 2.368 7.741 -4.438 1.00 0.42 C ATOM 1351 O PHE A 88 3.255 7.272 -3.751 1.00 0.61 O ATOM 1352 CB PHE A 88 -0.013 7.397 -3.710 1.00 0.39 C ATOM 1353 CG PHE A 88 -1.369 7.046 -4.270 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -1.876 5.751 -4.114 1.00 0.63 C ATOM 1355 CD2 PHE A 88 -2.120 8.015 -4.946 1.00 0.54 C ATOM 1356 CE1 PHE A 88 -3.134 5.425 -4.634 1.00 0.73 C ATOM 1357 CE2 PHE A 88 -3.378 7.690 -5.466 1.00 0.62 C ATOM 1358 CZ PHE A 88 -3.885 6.394 -5.310 1.00 0.62 C ATOM 0 H PHE A 88 1.484 5.283 -3.455 1.00 0.33 H new ATOM 0 HA PHE A 88 0.787 7.164 -5.729 1.00 0.35 H new ATOM 0 HB2 PHE A 88 0.136 6.901 -2.751 1.00 0.39 H new ATOM 0 HB3 PHE A 88 0.050 8.470 -3.528 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -1.297 5.003 -3.593 1.00 0.63 H new ATOM 0 HD2 PHE A 88 -1.728 9.014 -5.066 1.00 0.54 H new ATOM 0 HE1 PHE A 88 -3.525 4.426 -4.514 1.00 0.73 H new ATOM 0 HE2 PHE A 88 -3.957 8.438 -5.987 1.00 0.62 H new ATOM 0 HZ PHE A 88 -4.856 6.142 -5.711 1.00 0.62 H new ATOM 1368 N ARG A 89 2.487 8.922 -4.984 1.00 0.47 N ATOM 1369 CA ARG A 89 3.729 9.719 -4.771 1.00 0.55 C ATOM 1370 C ARG A 89 3.386 11.136 -4.300 1.00 0.64 C ATOM 1371 O ARG A 89 2.965 11.974 -5.074 1.00 1.05 O ATOM 1372 CB ARG A 89 4.409 9.762 -6.139 1.00 0.73 C ATOM 1373 CG ARG A 89 5.745 10.500 -6.024 1.00 1.15 C ATOM 1374 CD ARG A 89 6.397 10.593 -7.405 1.00 1.42 C ATOM 1375 NE ARG A 89 5.445 11.393 -8.225 1.00 1.73 N ATOM 1376 CZ ARG A 89 5.618 11.492 -9.515 1.00 2.07 C ATOM 1377 NH1 ARG A 89 5.917 10.432 -10.216 1.00 2.56 N ATOM 1378 NH2 ARG A 89 5.493 12.649 -10.104 1.00 2.43 N ATOM 0 H ARG A 89 1.779 9.368 -5.567 1.00 0.47 H new ATOM 0 HA ARG A 89 4.370 9.281 -4.006 1.00 0.55 H new ATOM 0 HB2 ARG A 89 4.572 8.749 -6.508 1.00 0.73 H new ATOM 0 HB3 ARG A 89 3.765 10.264 -6.861 1.00 0.73 H new ATOM 0 HG2 ARG A 89 5.587 11.499 -5.617 1.00 1.15 H new ATOM 0 HG3 ARG A 89 6.405 9.975 -5.333 1.00 1.15 H new ATOM 0 HD2 ARG A 89 7.373 11.075 -7.350 1.00 1.42 H new ATOM 0 HD3 ARG A 89 6.554 9.604 -7.835 1.00 1.42 H new ATOM 0 HE ARG A 89 4.658 11.863 -7.778 1.00 1.73 H new ATOM 0 HH11 ARG A 89 6.015 9.527 -9.756 1.00 2.56 H new ATOM 0 HH12 ARG A 89 6.052 10.509 -11.224 1.00 2.56 H new ATOM 0 HH21 ARG A 89 5.260 13.477 -9.557 1.00 2.43 H new ATOM 0 HH22 ARG A 89 5.628 12.725 -11.112 1.00 2.43 H new ATOM 1392 N ASN A 90 3.571 11.412 -3.037 1.00 0.57 N ATOM 1393 CA ASN A 90 3.268 12.775 -2.509 1.00 0.68 C ATOM 1394 C ASN A 90 1.874 13.235 -2.951 1.00 0.69 C ATOM 1395 O ASN A 90 1.733 14.173 -3.711 1.00 0.98 O ATOM 1396 CB ASN A 90 4.345 13.675 -3.113 1.00 0.87 C ATOM 1397 CG ASN A 90 4.285 15.058 -2.460 1.00 1.10 C ATOM 1398 OD1 ASN A 90 4.419 15.182 -1.259 1.00 1.65 O ATOM 1399 ND2 ASN A 90 4.087 16.108 -3.207 1.00 1.74 N ATOM 0 H ASN A 90 3.921 10.749 -2.345 1.00 0.57 H new ATOM 0 HA ASN A 90 3.270 12.800 -1.419 1.00 0.68 H new ATOM 0 HB2 ASN A 90 5.330 13.233 -2.961 1.00 0.87 H new ATOM 0 HB3 ASN A 90 4.198 13.763 -4.189 1.00 0.87 H new ATOM 0 HD21 ASN A 90 4.044 17.035 -2.783 1.00 1.74 H new ATOM 0 HD22 ASN A 90 3.975 16.003 -4.215 1.00 1.74 H new ATOM 1406 N GLY A 91 0.845 12.586 -2.478 1.00 0.65 N ATOM 1407 CA GLY A 91 -0.539 12.990 -2.865 1.00 0.75 C ATOM 1408 C GLY A 91 -0.653 13.074 -4.389 1.00 0.79 C ATOM 1409 O GLY A 91 -0.498 14.126 -4.975 1.00 1.19 O ATOM 0 H GLY A 91 0.902 11.793 -1.840 1.00 0.65 H new ATOM 0 HA2 GLY A 91 -1.259 12.269 -2.477 1.00 0.75 H new ATOM 0 HA3 GLY A 91 -0.783 13.955 -2.420 1.00 0.75 H new ATOM 1413 N ASP A 92 -0.928 11.975 -5.033 1.00 0.90 N ATOM 1414 CA ASP A 92 -1.058 11.994 -6.517 1.00 1.27 C ATOM 1415 C ASP A 92 -2.523 12.199 -6.911 1.00 1.14 C ATOM 1416 O ASP A 92 -2.871 13.160 -7.567 1.00 1.70 O ATOM 1417 CB ASP A 92 -0.565 10.623 -6.979 1.00 1.93 C ATOM 1418 CG ASP A 92 0.286 10.785 -8.240 1.00 2.15 C ATOM 1419 OD1 ASP A 92 1.445 11.139 -8.108 1.00 2.41 O ATOM 1420 OD2 ASP A 92 -0.237 10.550 -9.318 1.00 2.68 O ATOM 0 H ASP A 92 -1.068 11.064 -4.596 1.00 0.90 H new ATOM 0 HA ASP A 92 -0.487 12.803 -6.972 1.00 1.27 H new ATOM 0 HB2 ASP A 92 0.021 10.151 -6.190 1.00 1.93 H new ATOM 0 HB3 ASP A 92 -1.413 9.969 -7.181 1.00 1.93 H new ATOM 1425 N THR A 93 -3.384 11.302 -6.510 1.00 0.96 N ATOM 1426 CA THR A 93 -4.834 11.438 -6.853 1.00 1.33 C ATOM 1427 C THR A 93 -5.005 11.744 -8.346 1.00 1.26 C ATOM 1428 O THR A 93 -5.693 12.670 -8.723 1.00 1.90 O ATOM 1429 CB THR A 93 -5.361 12.605 -6.004 1.00 1.74 C ATOM 1430 OG1 THR A 93 -4.421 12.946 -4.991 1.00 2.10 O ATOM 1431 CG2 THR A 93 -6.680 12.193 -5.352 1.00 1.92 C ATOM 0 H THR A 93 -3.147 10.478 -5.958 1.00 0.96 H new ATOM 0 HA THR A 93 -5.380 10.517 -6.650 1.00 1.33 H new ATOM 0 HB THR A 93 -5.515 13.472 -6.647 1.00 1.74 H new ATOM 0 HG1 THR A 93 -4.769 13.692 -4.459 1.00 2.10 H new ATOM 0 HG21 THR A 93 -7.060 13.017 -4.748 1.00 1.92 H new ATOM 0 HG22 THR A 93 -7.407 11.945 -6.126 1.00 1.92 H new ATOM 0 HG23 THR A 93 -6.516 11.323 -4.717 1.00 1.92 H new ATOM 1439 N ALA A 94 -4.381 10.974 -9.194 1.00 1.18 N ATOM 1440 CA ALA A 94 -4.508 11.224 -10.658 1.00 1.18 C ATOM 1441 C ALA A 94 -3.861 10.084 -11.447 1.00 1.14 C ATOM 1442 O ALA A 94 -4.526 9.334 -12.134 1.00 1.48 O ATOM 1443 CB ALA A 94 -3.761 12.537 -10.899 1.00 1.24 C ATOM 0 H ALA A 94 -3.789 10.184 -8.937 1.00 1.18 H new ATOM 0 HA ALA A 94 -5.548 11.281 -10.980 1.00 1.18 H new ATOM 0 HB1 ALA A 94 -3.807 12.793 -11.957 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -4.223 13.331 -10.313 1.00 1.24 H new ATOM 0 HB3 ALA A 94 -2.719 12.423 -10.598 1.00 1.24 H new ATOM 1449 N SER A 95 -2.570 9.950 -11.353 1.00 1.20 N ATOM 1450 CA SER A 95 -1.875 8.859 -12.095 1.00 1.22 C ATOM 1451 C SER A 95 -0.983 8.054 -11.141 1.00 0.98 C ATOM 1452 O SER A 95 0.225 8.173 -11.179 1.00 0.98 O ATOM 1453 CB SER A 95 -1.029 9.574 -13.149 1.00 1.48 C ATOM 1454 OG SER A 95 -1.163 8.906 -14.395 1.00 2.01 O ATOM 0 H SER A 95 -1.963 10.549 -10.794 1.00 1.20 H new ATOM 0 HA SER A 95 -2.574 8.154 -12.545 1.00 1.22 H new ATOM 0 HB2 SER A 95 -1.348 10.612 -13.244 1.00 1.48 H new ATOM 0 HB3 SER A 95 0.017 9.589 -12.843 1.00 1.48 H new ATOM 0 HG SER A 95 -0.622 9.364 -15.072 1.00 2.01 H new ATOM 1460 N PRO A 96 -1.608 7.255 -10.310 1.00 0.87 N ATOM 1461 CA PRO A 96 -0.847 6.426 -9.341 1.00 0.72 C ATOM 1462 C PRO A 96 -0.129 5.283 -10.063 1.00 0.65 C ATOM 1463 O PRO A 96 -0.428 4.966 -11.196 1.00 0.79 O ATOM 1464 CB PRO A 96 -1.924 5.885 -8.405 1.00 0.79 C ATOM 1465 CG PRO A 96 -3.182 5.905 -9.214 1.00 0.97 C ATOM 1466 CD PRO A 96 -3.060 7.045 -10.190 1.00 1.02 C ATOM 0 HA PRO A 96 -0.074 6.986 -8.814 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -1.686 4.876 -8.070 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -2.018 6.503 -7.512 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -3.317 4.960 -9.740 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -4.052 6.039 -8.571 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -3.509 6.797 -11.152 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -3.564 7.940 -9.824 1.00 1.02 H new ATOM 1474 N LYS A 97 0.817 4.661 -9.414 1.00 0.55 N ATOM 1475 CA LYS A 97 1.551 3.539 -10.064 1.00 0.57 C ATOM 1476 C LYS A 97 0.942 2.198 -9.648 1.00 0.53 C ATOM 1477 O LYS A 97 0.176 2.118 -8.707 1.00 0.89 O ATOM 1478 CB LYS A 97 2.988 3.656 -9.555 1.00 0.68 C ATOM 1479 CG LYS A 97 3.850 4.341 -10.617 1.00 0.85 C ATOM 1480 CD LYS A 97 4.427 3.288 -11.565 1.00 1.63 C ATOM 1481 CE LYS A 97 4.573 3.886 -12.966 1.00 2.05 C ATOM 1482 NZ LYS A 97 5.971 4.397 -13.021 1.00 2.61 N ATOM 0 H LYS A 97 1.113 4.881 -8.463 1.00 0.55 H new ATOM 0 HA LYS A 97 1.499 3.588 -11.152 1.00 0.57 H new ATOM 0 HB2 LYS A 97 3.011 4.228 -8.628 1.00 0.68 H new ATOM 0 HB3 LYS A 97 3.387 2.667 -9.330 1.00 0.68 H new ATOM 0 HG2 LYS A 97 3.252 5.061 -11.177 1.00 0.85 H new ATOM 0 HG3 LYS A 97 4.657 4.898 -10.141 1.00 0.85 H new ATOM 0 HD2 LYS A 97 5.396 2.948 -11.201 1.00 1.63 H new ATOM 0 HD3 LYS A 97 3.774 2.416 -11.597 1.00 1.63 H new ATOM 0 HE2 LYS A 97 4.396 3.135 -13.736 1.00 2.05 H new ATOM 0 HE3 LYS A 97 3.853 4.687 -13.131 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 6.149 4.823 -13.953 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 6.108 5.115 -12.281 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 6.634 3.611 -12.868 1.00 2.61 H new ATOM 1496 N GLU A 98 1.276 1.145 -10.340 1.00 0.51 N ATOM 1497 CA GLU A 98 0.715 -0.190 -9.985 1.00 0.48 C ATOM 1498 C GLU A 98 1.847 -1.183 -9.707 1.00 0.45 C ATOM 1499 O GLU A 98 2.867 -1.178 -10.367 1.00 0.61 O ATOM 1500 CB GLU A 98 -0.089 -0.621 -11.213 1.00 0.61 C ATOM 1501 CG GLU A 98 0.823 -0.635 -12.442 1.00 1.33 C ATOM 1502 CD GLU A 98 0.355 0.429 -13.436 1.00 2.10 C ATOM 1503 OE1 GLU A 98 0.755 1.571 -13.282 1.00 2.79 O ATOM 1504 OE2 GLU A 98 -0.393 0.084 -14.336 1.00 2.61 O ATOM 0 H GLU A 98 1.913 1.150 -11.136 1.00 0.51 H new ATOM 0 HA GLU A 98 0.098 -0.154 -9.087 1.00 0.48 H new ATOM 0 HB2 GLU A 98 -0.515 -1.611 -11.052 1.00 0.61 H new ATOM 0 HB3 GLU A 98 -0.922 0.063 -11.373 1.00 0.61 H new ATOM 0 HG2 GLU A 98 1.854 -0.442 -12.145 1.00 1.33 H new ATOM 0 HG3 GLU A 98 0.805 -1.619 -12.911 1.00 1.33 H new ATOM 1511 N TYR A 99 1.678 -2.032 -8.731 1.00 0.45 N ATOM 1512 CA TYR A 99 2.747 -3.021 -8.410 1.00 0.46 C ATOM 1513 C TYR A 99 2.841 -4.081 -9.510 1.00 0.53 C ATOM 1514 O TYR A 99 1.859 -4.437 -10.131 1.00 0.67 O ATOM 1515 CB TYR A 99 2.315 -3.660 -7.090 1.00 0.52 C ATOM 1516 CG TYR A 99 3.345 -3.361 -6.025 1.00 0.64 C ATOM 1517 CD1 TYR A 99 4.514 -4.128 -5.946 1.00 1.20 C ATOM 1518 CD2 TYR A 99 3.128 -2.319 -5.117 1.00 1.58 C ATOM 1519 CE1 TYR A 99 5.466 -3.851 -4.957 1.00 1.49 C ATOM 1520 CE2 TYR A 99 4.080 -2.042 -4.129 1.00 2.05 C ATOM 1521 CZ TYR A 99 5.249 -2.809 -4.049 1.00 1.70 C ATOM 1522 OH TYR A 99 6.187 -2.536 -3.075 1.00 2.27 O ATOM 0 H TYR A 99 0.847 -2.084 -8.142 1.00 0.45 H new ATOM 0 HA TYR A 99 3.729 -2.553 -8.336 1.00 0.46 H new ATOM 0 HB2 TYR A 99 1.341 -3.274 -6.788 1.00 0.52 H new ATOM 0 HB3 TYR A 99 2.206 -4.737 -7.214 1.00 0.52 H new ATOM 0 HD1 TYR A 99 4.681 -4.932 -6.647 1.00 1.20 H new ATOM 0 HD2 TYR A 99 2.226 -1.728 -5.178 1.00 1.58 H new ATOM 0 HE1 TYR A 99 6.368 -4.442 -4.895 1.00 1.49 H new ATOM 0 HE2 TYR A 99 3.913 -1.237 -3.429 1.00 2.05 H new ATOM 0 HH TYR A 99 7.070 -2.834 -3.378 1.00 2.27 H new ATOM 1532 N THR A 100 4.018 -4.591 -9.753 1.00 0.60 N ATOM 1533 CA THR A 100 4.179 -5.631 -10.808 1.00 0.72 C ATOM 1534 C THR A 100 4.724 -6.921 -10.189 1.00 0.83 C ATOM 1535 O THR A 100 5.493 -7.637 -10.799 1.00 1.71 O ATOM 1536 CB THR A 100 5.185 -5.042 -11.797 1.00 0.93 C ATOM 1537 OG1 THR A 100 6.356 -4.644 -11.098 1.00 1.36 O ATOM 1538 CG2 THR A 100 4.567 -3.830 -12.495 1.00 1.13 C ATOM 0 H THR A 100 4.876 -4.332 -9.266 1.00 0.60 H new ATOM 0 HA THR A 100 3.235 -5.882 -11.293 1.00 0.72 H new ATOM 0 HB THR A 100 5.445 -5.793 -12.543 1.00 0.93 H new ATOM 0 HG1 THR A 100 6.207 -3.770 -10.681 1.00 1.36 H new ATOM 0 HG21 THR A 100 5.285 -3.411 -13.200 1.00 1.13 H new ATOM 0 HG22 THR A 100 3.669 -4.138 -13.031 1.00 1.13 H new ATOM 0 HG23 THR A 100 4.306 -3.076 -11.752 1.00 1.13 H new ATOM 1546 N ALA A 101 4.331 -7.220 -8.982 1.00 0.83 N ATOM 1547 CA ALA A 101 4.826 -8.462 -8.320 1.00 1.01 C ATOM 1548 C ALA A 101 3.737 -9.048 -7.418 1.00 1.36 C ATOM 1549 O ALA A 101 2.558 -8.898 -7.676 1.00 1.98 O ATOM 1550 CB ALA A 101 6.030 -8.017 -7.490 1.00 0.87 C ATOM 0 H ALA A 101 3.688 -6.658 -8.424 1.00 0.83 H new ATOM 0 HA ALA A 101 5.093 -9.236 -9.039 1.00 1.01 H new ATOM 0 HB1 ALA A 101 6.452 -8.877 -6.970 1.00 0.87 H new ATOM 0 HB2 ALA A 101 6.785 -7.584 -8.147 1.00 0.87 H new ATOM 0 HB3 ALA A 101 5.713 -7.272 -6.760 1.00 0.87 H new ATOM 1556 N GLY A 102 4.119 -9.715 -6.363 1.00 1.17 N ATOM 1557 CA GLY A 102 3.099 -10.307 -5.450 1.00 1.71 C ATOM 1558 C GLY A 102 3.505 -11.736 -5.089 1.00 1.08 C ATOM 1559 O GLY A 102 2.815 -12.685 -5.400 1.00 1.27 O ATOM 0 H GLY A 102 5.090 -9.875 -6.094 1.00 1.17 H new ATOM 0 HA2 GLY A 102 3.010 -9.704 -4.547 1.00 1.71 H new ATOM 0 HA3 GLY A 102 2.121 -10.306 -5.931 1.00 1.71 H new ATOM 1563 N ARG A 103 4.619 -11.894 -4.430 1.00 0.90 N ATOM 1564 CA ARG A 103 5.070 -13.260 -4.044 1.00 1.11 C ATOM 1565 C ARG A 103 5.570 -13.261 -2.597 1.00 0.94 C ATOM 1566 O ARG A 103 5.306 -14.173 -1.839 1.00 1.04 O ATOM 1567 CB ARG A 103 6.210 -13.593 -5.008 1.00 1.71 C ATOM 1568 CG ARG A 103 5.669 -14.437 -6.167 1.00 2.44 C ATOM 1569 CD ARG A 103 6.836 -14.989 -6.988 1.00 3.16 C ATOM 1570 NE ARG A 103 6.946 -14.077 -8.160 1.00 3.73 N ATOM 1571 CZ ARG A 103 7.492 -12.900 -8.022 1.00 4.34 C ATOM 1572 NH1 ARG A 103 8.775 -12.797 -7.810 1.00 4.84 N ATOM 1573 NH2 ARG A 103 6.755 -11.827 -8.098 1.00 4.81 N ATOM 0 H ARG A 103 5.237 -11.135 -4.142 1.00 0.90 H new ATOM 0 HA ARG A 103 4.264 -13.992 -4.102 1.00 1.11 H new ATOM 0 HB2 ARG A 103 6.657 -12.675 -5.390 1.00 1.71 H new ATOM 0 HB3 ARG A 103 6.996 -14.137 -4.484 1.00 1.71 H new ATOM 0 HG2 ARG A 103 5.063 -15.257 -5.781 1.00 2.44 H new ATOM 0 HG3 ARG A 103 5.020 -13.831 -6.800 1.00 2.44 H new ATOM 0 HD2 ARG A 103 7.758 -14.998 -6.407 1.00 3.16 H new ATOM 0 HD3 ARG A 103 6.647 -16.015 -7.303 1.00 3.16 H new ATOM 0 HE ARG A 103 6.594 -14.372 -9.071 1.00 3.73 H new ATOM 0 HH11 ARG A 103 9.351 -13.637 -7.752 1.00 4.84 H new ATOM 0 HH12 ARG A 103 9.202 -11.877 -7.702 1.00 4.84 H new ATOM 0 HH21 ARG A 103 5.752 -11.908 -8.265 1.00 4.81 H new ATOM 0 HH22 ARG A 103 7.181 -10.907 -7.990 1.00 4.81 H new ATOM 1587 N GLU A 104 6.285 -12.243 -2.210 1.00 0.75 N ATOM 1588 CA GLU A 104 6.798 -12.182 -0.811 1.00 0.66 C ATOM 1589 C GLU A 104 7.174 -10.744 -0.445 1.00 0.56 C ATOM 1590 O GLU A 104 7.390 -9.911 -1.303 1.00 0.57 O ATOM 1591 CB GLU A 104 8.037 -13.078 -0.802 1.00 0.79 C ATOM 1592 CG GLU A 104 9.080 -12.524 -1.773 1.00 1.59 C ATOM 1593 CD GLU A 104 10.008 -13.654 -2.231 1.00 1.87 C ATOM 1594 OE1 GLU A 104 10.001 -14.697 -1.596 1.00 2.04 O ATOM 1595 OE2 GLU A 104 10.708 -13.458 -3.210 1.00 2.51 O ATOM 0 H GLU A 104 6.537 -11.450 -2.800 1.00 0.75 H new ATOM 0 HA GLU A 104 6.053 -12.509 -0.086 1.00 0.66 H new ATOM 0 HB2 GLU A 104 8.453 -13.129 0.204 1.00 0.79 H new ATOM 0 HB3 GLU A 104 7.765 -14.094 -1.086 1.00 0.79 H new ATOM 0 HG2 GLU A 104 8.587 -12.074 -2.634 1.00 1.59 H new ATOM 0 HG3 GLU A 104 9.659 -11.737 -1.290 1.00 1.59 H new ATOM 1602 N ALA A 105 7.246 -10.447 0.828 1.00 0.50 N ATOM 1603 CA ALA A 105 7.603 -9.062 1.266 1.00 0.44 C ATOM 1604 C ALA A 105 8.814 -8.538 0.485 1.00 0.45 C ATOM 1605 O ALA A 105 8.972 -7.348 0.293 1.00 0.47 O ATOM 1606 CB ALA A 105 7.944 -9.198 2.751 1.00 0.47 C ATOM 0 H ALA A 105 7.072 -11.107 1.586 1.00 0.50 H new ATOM 0 HA ALA A 105 6.791 -8.356 1.089 1.00 0.44 H new ATOM 0 HB1 ALA A 105 8.218 -8.222 3.152 1.00 0.47 H new ATOM 0 HB2 ALA A 105 7.077 -9.581 3.290 1.00 0.47 H new ATOM 0 HB3 ALA A 105 8.780 -9.887 2.871 1.00 0.47 H new ATOM 1612 N ASP A 106 9.667 -9.414 0.030 1.00 0.51 N ATOM 1613 CA ASP A 106 10.859 -8.958 -0.740 1.00 0.56 C ATOM 1614 C ASP A 106 10.413 -8.277 -2.034 1.00 0.54 C ATOM 1615 O ASP A 106 10.974 -7.282 -2.450 1.00 0.64 O ATOM 1616 CB ASP A 106 11.648 -10.232 -1.045 1.00 0.67 C ATOM 1617 CG ASP A 106 10.678 -11.397 -1.246 1.00 1.18 C ATOM 1618 OD1 ASP A 106 10.014 -11.761 -0.290 1.00 1.82 O ATOM 1619 OD2 ASP A 106 10.615 -11.905 -2.353 1.00 2.02 O ATOM 0 H ASP A 106 9.591 -10.423 0.157 1.00 0.51 H new ATOM 0 HA ASP A 106 11.459 -8.235 -0.188 1.00 0.56 H new ATOM 0 HB2 ASP A 106 12.254 -10.091 -1.940 1.00 0.67 H new ATOM 0 HB3 ASP A 106 12.333 -10.453 -0.227 1.00 0.67 H new ATOM 1624 N ASP A 107 9.400 -8.799 -2.667 1.00 0.50 N ATOM 1625 CA ASP A 107 8.909 -8.175 -3.928 1.00 0.52 C ATOM 1626 C ASP A 107 8.347 -6.782 -3.629 1.00 0.51 C ATOM 1627 O ASP A 107 8.285 -5.928 -4.491 1.00 0.63 O ATOM 1628 CB ASP A 107 7.805 -9.106 -4.435 1.00 0.55 C ATOM 1629 CG ASP A 107 8.270 -9.797 -5.718 1.00 0.76 C ATOM 1630 OD1 ASP A 107 8.939 -9.150 -6.507 1.00 1.39 O ATOM 1631 OD2 ASP A 107 7.951 -10.962 -5.890 1.00 1.41 O ATOM 0 H ASP A 107 8.891 -9.630 -2.366 1.00 0.50 H new ATOM 0 HA ASP A 107 9.700 -8.053 -4.668 1.00 0.52 H new ATOM 0 HB2 ASP A 107 7.564 -9.850 -3.675 1.00 0.55 H new ATOM 0 HB3 ASP A 107 6.894 -8.538 -4.625 1.00 0.55 H new ATOM 1636 N ILE A 108 7.945 -6.548 -2.409 1.00 0.46 N ATOM 1637 CA ILE A 108 7.393 -5.210 -2.046 1.00 0.52 C ATOM 1638 C ILE A 108 8.528 -4.190 -1.928 1.00 0.50 C ATOM 1639 O ILE A 108 8.486 -3.127 -2.516 1.00 0.52 O ATOM 1640 CB ILE A 108 6.718 -5.415 -0.688 1.00 0.60 C ATOM 1641 CG1 ILE A 108 5.645 -6.506 -0.806 1.00 0.73 C ATOM 1642 CG2 ILE A 108 6.076 -4.101 -0.233 1.00 0.67 C ATOM 1643 CD1 ILE A 108 4.516 -6.036 -1.728 1.00 0.68 C ATOM 0 H ILE A 108 7.975 -7.226 -1.647 1.00 0.46 H new ATOM 0 HA ILE A 108 6.697 -4.832 -2.795 1.00 0.52 H new ATOM 0 HB ILE A 108 7.463 -5.724 0.046 1.00 0.60 H new ATOM 0 HG12 ILE A 108 6.088 -7.422 -1.198 1.00 0.73 H new ATOM 0 HG13 ILE A 108 5.245 -6.742 0.180 1.00 0.73 H new ATOM 0 HG21 ILE A 108 5.595 -4.247 0.734 1.00 0.67 H new ATOM 0 HG22 ILE A 108 6.844 -3.332 -0.144 1.00 0.67 H new ATOM 0 HG23 ILE A 108 5.331 -3.787 -0.965 1.00 0.67 H new ATOM 0 HD11 ILE A 108 3.760 -6.817 -1.805 1.00 0.68 H new ATOM 0 HD12 ILE A 108 4.064 -5.133 -1.318 1.00 0.68 H new ATOM 0 HD13 ILE A 108 4.920 -5.823 -2.718 1.00 0.68 H new ATOM 1655 N VAL A 109 9.545 -4.506 -1.172 1.00 0.51 N ATOM 1656 CA VAL A 109 10.682 -3.554 -1.015 1.00 0.56 C ATOM 1657 C VAL A 109 11.407 -3.369 -2.350 1.00 0.51 C ATOM 1658 O VAL A 109 11.759 -2.270 -2.727 1.00 0.55 O ATOM 1659 CB VAL A 109 11.607 -4.210 0.010 1.00 0.67 C ATOM 1660 CG1 VAL A 109 12.812 -3.303 0.264 1.00 0.81 C ATOM 1661 CG2 VAL A 109 10.846 -4.425 1.320 1.00 0.86 C ATOM 0 H VAL A 109 9.637 -5.381 -0.657 1.00 0.51 H new ATOM 0 HA VAL A 109 10.352 -2.566 -0.695 1.00 0.56 H new ATOM 0 HB VAL A 109 11.950 -5.171 -0.373 1.00 0.67 H new ATOM 0 HG11 VAL A 109 13.472 -3.771 0.995 1.00 0.81 H new ATOM 0 HG12 VAL A 109 13.355 -3.149 -0.669 1.00 0.81 H new ATOM 0 HG13 VAL A 109 12.470 -2.342 0.647 1.00 0.81 H new ATOM 0 HG21 VAL A 109 11.505 -4.893 2.051 1.00 0.86 H new ATOM 0 HG22 VAL A 109 10.503 -3.464 1.703 1.00 0.86 H new ATOM 0 HG23 VAL A 109 9.987 -5.072 1.140 1.00 0.86 H new ATOM 1671 N ASN A 110 11.636 -4.437 -3.065 1.00 0.50 N ATOM 1672 CA ASN A 110 12.340 -4.319 -4.374 1.00 0.52 C ATOM 1673 C ASN A 110 11.624 -3.307 -5.268 1.00 0.50 C ATOM 1674 O ASN A 110 12.223 -2.384 -5.783 1.00 0.59 O ATOM 1675 CB ASN A 110 12.278 -5.718 -4.988 1.00 0.59 C ATOM 1676 CG ASN A 110 13.648 -6.388 -4.862 1.00 0.98 C ATOM 1677 OD1 ASN A 110 14.664 -5.724 -4.864 1.00 1.65 O ATOM 1678 ND2 ASN A 110 13.718 -7.687 -4.755 1.00 1.29 N ATOM 0 H ASN A 110 11.367 -5.384 -2.800 1.00 0.50 H new ATOM 0 HA ASN A 110 13.367 -3.972 -4.260 1.00 0.52 H new ATOM 0 HB2 ASN A 110 11.520 -6.316 -4.482 1.00 0.59 H new ATOM 0 HB3 ASN A 110 11.987 -5.655 -6.036 1.00 0.59 H new ATOM 0 HD21 ASN A 110 14.626 -8.144 -4.673 1.00 1.29 H new ATOM 0 HD22 ASN A 110 12.864 -8.245 -4.753 1.00 1.29 H new ATOM 1685 N TRP A 111 10.347 -3.472 -5.451 1.00 0.46 N ATOM 1686 CA TRP A 111 9.587 -2.519 -6.308 1.00 0.51 C ATOM 1687 C TRP A 111 9.573 -1.132 -5.661 1.00 0.55 C ATOM 1688 O TRP A 111 9.391 -0.129 -6.322 1.00 0.66 O ATOM 1689 CB TRP A 111 8.173 -3.095 -6.380 1.00 0.55 C ATOM 1690 CG TRP A 111 7.393 -2.370 -7.429 1.00 0.58 C ATOM 1691 CD1 TRP A 111 7.363 -2.696 -8.741 1.00 0.73 C ATOM 1692 CD2 TRP A 111 6.531 -1.204 -7.277 1.00 0.69 C ATOM 1693 NE1 TRP A 111 6.540 -1.804 -9.405 1.00 0.84 N ATOM 1694 CE2 TRP A 111 6.004 -0.866 -8.546 1.00 0.83 C ATOM 1695 CE3 TRP A 111 6.162 -0.415 -6.173 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 5.140 0.217 -8.713 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 5.292 0.676 -6.338 1.00 1.07 C ATOM 1698 CH2 TRP A 111 4.783 0.991 -7.606 1.00 1.14 C ATOM 0 H TRP A 111 9.794 -4.226 -5.044 1.00 0.46 H new ATOM 0 HA TRP A 111 10.029 -2.404 -7.298 1.00 0.51 H new ATOM 0 HB2 TRP A 111 8.214 -4.159 -6.612 1.00 0.55 H new ATOM 0 HB3 TRP A 111 7.680 -2.998 -5.413 1.00 0.55 H new ATOM 0 HD1 TRP A 111 7.895 -3.518 -9.196 1.00 0.73 H new ATOM 0 HE1 TRP A 111 6.352 -1.836 -10.407 1.00 0.84 H new ATOM 0 HE3 TRP A 111 6.550 -0.649 -5.192 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 4.750 0.455 -9.691 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 5.014 1.275 -5.484 1.00 1.07 H new ATOM 0 HH2 TRP A 111 4.115 1.831 -7.727 1.00 1.14 H new ATOM 1709 N LEU A 112 9.767 -1.069 -4.371 1.00 0.55 N ATOM 1710 CA LEU A 112 9.766 0.252 -3.679 1.00 0.65 C ATOM 1711 C LEU A 112 11.147 0.909 -3.781 1.00 0.65 C ATOM 1712 O LEU A 112 11.262 2.108 -3.940 1.00 0.75 O ATOM 1713 CB LEU A 112 9.432 -0.070 -2.221 1.00 0.74 C ATOM 1714 CG LEU A 112 8.141 0.648 -1.818 1.00 0.86 C ATOM 1715 CD1 LEU A 112 8.345 2.160 -1.928 1.00 1.10 C ATOM 1716 CD2 LEU A 112 7.001 0.217 -2.745 1.00 1.49 C ATOM 0 H LEU A 112 9.926 -1.875 -3.767 1.00 0.55 H new ATOM 0 HA LEU A 112 9.053 0.949 -4.120 1.00 0.65 H new ATOM 0 HB2 LEU A 112 9.316 -1.146 -2.093 1.00 0.74 H new ATOM 0 HB3 LEU A 112 10.251 0.242 -1.573 1.00 0.74 H new ATOM 0 HG LEU A 112 7.888 0.388 -0.790 1.00 0.86 H new ATOM 0 HD11 LEU A 112 7.427 2.673 -1.641 1.00 1.10 H new ATOM 0 HD12 LEU A 112 9.154 2.467 -1.265 1.00 1.10 H new ATOM 0 HD13 LEU A 112 8.600 2.419 -2.956 1.00 1.10 H new ATOM 0 HD21 LEU A 112 6.083 0.729 -2.456 1.00 1.49 H new ATOM 0 HD22 LEU A 112 7.252 0.475 -3.774 1.00 1.49 H new ATOM 0 HD23 LEU A 112 6.855 -0.860 -2.666 1.00 1.49 H new ATOM 1728 N LYS A 113 12.193 0.135 -3.688 1.00 0.62 N ATOM 1729 CA LYS A 113 13.564 0.720 -3.776 1.00 0.70 C ATOM 1730 C LYS A 113 14.028 0.797 -5.238 1.00 0.75 C ATOM 1731 O LYS A 113 14.992 1.464 -5.555 1.00 1.01 O ATOM 1732 CB LYS A 113 14.459 -0.230 -2.966 1.00 0.79 C ATOM 1733 CG LYS A 113 14.581 -1.581 -3.681 1.00 1.42 C ATOM 1734 CD LYS A 113 15.370 -2.554 -2.803 1.00 1.84 C ATOM 1735 CE LYS A 113 16.864 -2.238 -2.905 1.00 2.39 C ATOM 1736 NZ LYS A 113 17.330 -2.978 -4.110 1.00 2.86 N ATOM 0 H LYS A 113 12.160 -0.876 -3.555 1.00 0.62 H new ATOM 0 HA LYS A 113 13.599 1.738 -3.388 1.00 0.70 H new ATOM 0 HB2 LYS A 113 15.447 0.212 -2.836 1.00 0.79 H new ATOM 0 HB3 LYS A 113 14.041 -0.374 -1.970 1.00 0.79 H new ATOM 0 HG2 LYS A 113 13.590 -1.985 -3.890 1.00 1.42 H new ATOM 0 HG3 LYS A 113 15.082 -1.453 -4.641 1.00 1.42 H new ATOM 0 HD2 LYS A 113 15.041 -2.474 -1.767 1.00 1.84 H new ATOM 0 HD3 LYS A 113 15.182 -3.580 -3.119 1.00 1.84 H new ATOM 0 HE2 LYS A 113 17.035 -1.167 -3.009 1.00 2.39 H new ATOM 0 HE3 LYS A 113 17.398 -2.561 -2.012 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 18.135 -2.476 -4.536 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 17.626 -3.937 -3.836 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 16.555 -3.039 -4.801 1.00 2.86 H new ATOM 1750 N LYS A 114 13.355 0.119 -6.128 1.00 0.71 N ATOM 1751 CA LYS A 114 13.768 0.154 -7.561 1.00 0.89 C ATOM 1752 C LYS A 114 13.684 1.582 -8.112 1.00 1.07 C ATOM 1753 O LYS A 114 14.310 1.913 -9.099 1.00 1.31 O ATOM 1754 CB LYS A 114 12.772 -0.756 -8.281 1.00 0.92 C ATOM 1755 CG LYS A 114 13.115 -0.812 -9.770 1.00 1.45 C ATOM 1756 CD LYS A 114 14.426 -1.575 -9.965 1.00 1.77 C ATOM 1757 CE LYS A 114 14.136 -2.933 -10.610 1.00 2.49 C ATOM 1758 NZ LYS A 114 14.061 -3.890 -9.470 1.00 3.00 N ATOM 0 H LYS A 114 12.538 -0.457 -5.925 1.00 0.71 H new ATOM 0 HA LYS A 114 14.798 -0.174 -7.698 1.00 0.89 H new ATOM 0 HB2 LYS A 114 12.803 -1.758 -7.852 1.00 0.92 H new ATOM 0 HB3 LYS A 114 11.757 -0.382 -8.145 1.00 0.92 H new ATOM 0 HG2 LYS A 114 12.312 -1.302 -10.321 1.00 1.45 H new ATOM 0 HG3 LYS A 114 13.207 0.197 -10.171 1.00 1.45 H new ATOM 0 HD2 LYS A 114 15.104 -0.999 -10.595 1.00 1.77 H new ATOM 0 HD3 LYS A 114 14.924 -1.715 -9.005 1.00 1.77 H new ATOM 0 HE2 LYS A 114 13.202 -2.913 -11.171 1.00 2.49 H new ATOM 0 HE3 LYS A 114 14.922 -3.214 -11.311 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 13.915 -4.853 -9.834 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 14.948 -3.855 -8.929 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 13.267 -3.630 -8.850 1.00 3.00 H new ATOM 1772 N ARG A 115 12.915 2.432 -7.486 1.00 1.09 N ATOM 1773 CA ARG A 115 12.797 3.834 -7.985 1.00 1.40 C ATOM 1774 C ARG A 115 13.899 4.711 -7.385 1.00 1.25 C ATOM 1775 O ARG A 115 14.315 5.689 -7.973 1.00 1.55 O ATOM 1776 CB ARG A 115 11.421 4.308 -7.515 1.00 1.86 C ATOM 1777 CG ARG A 115 10.750 5.114 -8.631 1.00 2.43 C ATOM 1778 CD ARG A 115 9.662 4.264 -9.291 1.00 2.92 C ATOM 1779 NE ARG A 115 10.396 3.174 -9.991 1.00 3.45 N ATOM 1780 CZ ARG A 115 9.974 2.741 -11.146 1.00 3.99 C ATOM 1781 NH1 ARG A 115 9.935 3.547 -12.171 1.00 4.34 N ATOM 1782 NH2 ARG A 115 9.591 1.500 -11.276 1.00 4.52 N ATOM 0 H ARG A 115 12.365 2.218 -6.654 1.00 1.09 H new ATOM 0 HA ARG A 115 12.903 3.893 -9.068 1.00 1.40 H new ATOM 0 HB2 ARG A 115 10.802 3.452 -7.247 1.00 1.86 H new ATOM 0 HB3 ARG A 115 11.522 4.921 -6.619 1.00 1.86 H new ATOM 0 HG2 ARG A 115 10.316 6.027 -8.224 1.00 2.43 H new ATOM 0 HG3 ARG A 115 11.490 5.416 -9.372 1.00 2.43 H new ATOM 0 HD2 ARG A 115 8.971 3.862 -8.550 1.00 2.92 H new ATOM 0 HD3 ARG A 115 9.070 4.854 -9.991 1.00 2.92 H new ATOM 0 HE ARG A 115 11.229 2.766 -9.567 1.00 3.45 H new ATOM 0 HH11 ARG A 115 10.235 4.517 -12.069 1.00 4.34 H new ATOM 0 HH12 ARG A 115 9.605 3.208 -13.074 1.00 4.34 H new ATOM 0 HH21 ARG A 115 9.622 0.870 -10.474 1.00 4.52 H new ATOM 0 HH22 ARG A 115 9.261 1.160 -12.179 1.00 4.52 H new