USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 760 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 HIS : no HD1:sc= 0.205 K(o=0.84,f=0.14) USER MOD Set 1.2: A 103 THR OG1 : rot -100:sc= 0.636 USER MOD Set 2.1: A 102 MET CE :methyl 134:sc= -0.298 (180deg=-1.24!) USER MOD Set 2.2: A 106 GLN : amide:sc= 0.1 X(o=-0.2,f=-0.41) USER MOD Single : A 4 SER OG : rot -19:sc= 0.742 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN :FLIP amide:sc= -2.29! C(o=-2.9!,f=-2.3!) USER MOD Single : A 23 SER OG : rot 104:sc= 1.08 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -42:sc= 1.98 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0282 USER MOD Single : A 36 LYS NZ :NH3+ 167:sc= 1.24 (180deg=1.04) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 43 SER OG : rot -92:sc= -2.04! USER MOD Single : A 44 THR OG1 : rot -17:sc= 0.978 USER MOD Single : A 47 LYS NZ :NH3+ -177:sc= 0.762 (180deg=0.68) USER MOD Single : A 49 GLN : amide:sc= -2.9! C(o=-2.9!,f=-5.3!) USER MOD Single : A 51 THR OG1 : rot -54:sc= -0.507 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 150:sc= 0.0831 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -117:sc= 0 (180deg=-1.47) USER MOD Single : A 65 LYS NZ :NH3+ 171:sc= 2.44 (180deg=2.38) USER MOD Single : A 85 GLN : amide:sc= -1.38 X(o=-1.4,f=-1.8) USER MOD Single : A 87 HIS :FLIP no HD1:sc=-0.00731 F(o=-0.68,f=-0.0073) USER MOD Single : A 88 MET CE :methyl -171:sc= -3.88! (180deg=-4.29) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc=-0.00932 K(o=-0.0093,f=-0.98) USER MOD Single : A 93 ASN : amide:sc= -0.0779 K(o=-0.078,f=-11!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -162:sc= -1.68 (180deg=-3.9!) USER MOD Single : A 99 ASN :FLIP amide:sc= -0.785 F(o=-2!,f=-0.78) USER MOD Single : A 101 LYS NZ :NH3+ -119:sc= 1.26 (180deg=-0.26) USER MOD Single : A 105 GLN : amide:sc= -3.76! C(o=-3.8!,f=-8.9!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 14.625 -2.666 2.832 1.00 0.35 N ATOM 29 CA HIS A 3 13.919 -1.471 2.372 1.00 0.24 C ATOM 30 C HIS A 3 13.845 -1.420 0.848 1.00 0.16 C ATOM 31 O HIS A 3 13.696 -0.354 0.261 1.00 0.19 O ATOM 32 CB HIS A 3 14.627 -0.210 2.885 1.00 0.32 C ATOM 33 CG HIS A 3 14.507 0.022 4.362 1.00 0.71 C ATOM 34 ND1 HIS A 3 14.240 -0.978 5.274 1.00 1.12 N ATOM 35 CD2 HIS A 3 14.616 1.162 5.085 1.00 1.43 C ATOM 36 CE1 HIS A 3 14.191 -0.463 6.489 1.00 1.64 C ATOM 37 NE2 HIS A 3 14.416 0.833 6.403 1.00 1.85 N ATOM 0 HA HIS A 3 12.904 -1.514 2.768 1.00 0.24 H new ATOM 0 HB2 HIS A 3 15.684 -0.273 2.626 1.00 0.32 H new ATOM 0 HB3 HIS A 3 14.222 0.656 2.361 1.00 0.32 H new ATOM 0 HD2 HIS A 3 14.822 2.148 4.696 1.00 1.43 H new ATOM 0 HE1 HIS A 3 13.999 -1.011 7.400 1.00 1.64 H new ATOM 0 HE2 HIS A 3 14.438 1.485 7.187 1.00 1.85 H new ATOM 46 N SER A 4 13.945 -2.570 0.214 1.00 0.14 N ATOM 47 CA SER A 4 13.922 -2.665 -1.244 1.00 0.13 C ATOM 48 C SER A 4 13.578 -4.093 -1.653 1.00 0.15 C ATOM 49 O SER A 4 13.882 -5.042 -0.929 1.00 0.24 O ATOM 50 CB SER A 4 15.270 -2.255 -1.850 1.00 0.17 C ATOM 51 OG SER A 4 15.644 -0.947 -1.444 1.00 0.95 O ATOM 0 H SER A 4 14.045 -3.468 0.687 1.00 0.14 H new ATOM 0 HA SER A 4 13.164 -1.980 -1.623 1.00 0.13 H new ATOM 0 HB2 SER A 4 16.039 -2.966 -1.546 1.00 0.17 H new ATOM 0 HB3 SER A 4 15.210 -2.297 -2.938 1.00 0.17 H new ATOM 0 HG SER A 4 14.852 -0.463 -1.129 1.00 0.95 H new ATOM 57 N GLY A 5 12.927 -4.236 -2.792 1.00 0.14 N ATOM 58 CA GLY A 5 12.532 -5.538 -3.279 1.00 0.15 C ATOM 59 C GLY A 5 11.707 -5.406 -4.534 1.00 0.15 C ATOM 60 O GLY A 5 11.018 -4.409 -4.708 1.00 0.16 O ATOM 0 H GLY A 5 12.661 -3.460 -3.398 1.00 0.14 H new ATOM 0 HA2 GLY A 5 13.417 -6.141 -3.481 1.00 0.15 H new ATOM 0 HA3 GLY A 5 11.958 -6.060 -2.513 1.00 0.15 H new ATOM 64 N ALA A 6 11.772 -6.388 -5.411 1.00 0.16 N ATOM 65 CA ALA A 6 11.088 -6.294 -6.692 1.00 0.17 C ATOM 66 C ALA A 6 9.580 -6.535 -6.541 1.00 0.21 C ATOM 67 O ALA A 6 9.158 -7.418 -5.792 1.00 0.43 O ATOM 68 CB ALA A 6 11.685 -7.272 -7.690 1.00 0.21 C ATOM 0 H ALA A 6 12.287 -7.256 -5.265 1.00 0.16 H new ATOM 0 HA ALA A 6 11.228 -5.281 -7.069 1.00 0.17 H new ATOM 0 HB1 ALA A 6 11.160 -7.187 -8.642 1.00 0.21 H new ATOM 0 HB2 ALA A 6 12.741 -7.044 -7.836 1.00 0.21 H new ATOM 0 HB3 ALA A 6 11.583 -8.288 -7.309 1.00 0.21 H new ATOM 74 N ALA A 7 8.775 -5.748 -7.258 1.00 0.11 N ATOM 75 CA ALA A 7 7.318 -5.886 -7.224 1.00 0.12 C ATOM 76 C ALA A 7 6.704 -5.567 -8.583 1.00 0.12 C ATOM 77 O ALA A 7 7.295 -4.869 -9.399 1.00 0.13 O ATOM 78 CB ALA A 7 6.702 -4.977 -6.168 1.00 0.12 C ATOM 0 H ALA A 7 9.110 -5.005 -7.872 1.00 0.11 H new ATOM 0 HA ALA A 7 7.101 -6.923 -6.969 1.00 0.12 H new ATOM 0 HB1 ALA A 7 5.619 -5.102 -6.167 1.00 0.12 H new ATOM 0 HB2 ALA A 7 7.098 -5.238 -5.187 1.00 0.12 H new ATOM 0 HB3 ALA A 7 6.947 -3.939 -6.394 1.00 0.12 H new ATOM 84 N ILE A 8 5.508 -6.073 -8.805 1.00 0.15 N ATOM 85 CA ILE A 8 4.776 -5.840 -10.041 1.00 0.19 C ATOM 86 C ILE A 8 3.753 -4.743 -9.818 1.00 0.22 C ATOM 87 O ILE A 8 2.989 -4.785 -8.854 1.00 0.26 O ATOM 88 CB ILE A 8 4.047 -7.120 -10.534 1.00 0.23 C ATOM 89 CG1 ILE A 8 5.025 -8.185 -11.056 1.00 0.26 C ATOM 90 CG2 ILE A 8 3.039 -6.769 -11.612 1.00 0.29 C ATOM 91 CD1 ILE A 8 5.916 -8.799 -9.996 1.00 0.25 C ATOM 0 H ILE A 8 5.012 -6.659 -8.134 1.00 0.15 H new ATOM 0 HA ILE A 8 5.497 -5.547 -10.804 1.00 0.19 H new ATOM 0 HB ILE A 8 3.530 -7.545 -9.674 1.00 0.23 H new ATOM 0 HG12 ILE A 8 4.454 -8.980 -11.536 1.00 0.26 H new ATOM 0 HG13 ILE A 8 5.654 -7.736 -11.825 1.00 0.26 H new ATOM 0 HG21 ILE A 8 2.536 -7.675 -11.948 1.00 0.29 H new ATOM 0 HG22 ILE A 8 2.303 -6.073 -11.209 1.00 0.29 H new ATOM 0 HG23 ILE A 8 3.553 -6.306 -12.454 1.00 0.29 H new ATOM 0 HD11 ILE A 8 6.572 -9.539 -10.456 1.00 0.25 H new ATOM 0 HD12 ILE A 8 6.519 -8.019 -9.531 1.00 0.25 H new ATOM 0 HD13 ILE A 8 5.300 -9.282 -9.238 1.00 0.25 H new ATOM 103 N PHE A 9 3.750 -3.762 -10.696 1.00 0.28 N ATOM 104 CA PHE A 9 2.815 -2.664 -10.589 1.00 0.34 C ATOM 105 C PHE A 9 2.276 -2.307 -11.963 1.00 0.46 C ATOM 106 O PHE A 9 3.031 -1.897 -12.832 1.00 0.52 O ATOM 107 CB PHE A 9 3.499 -1.463 -9.938 1.00 0.35 C ATOM 108 CG PHE A 9 2.678 -0.207 -9.894 1.00 0.40 C ATOM 109 CD1 PHE A 9 1.658 -0.056 -8.968 1.00 0.40 C ATOM 110 CD2 PHE A 9 2.946 0.835 -10.764 1.00 0.50 C ATOM 111 CE1 PHE A 9 0.920 1.110 -8.918 1.00 0.45 C ATOM 112 CE2 PHE A 9 2.210 2.000 -10.719 1.00 0.56 C ATOM 113 CZ PHE A 9 1.195 2.138 -9.795 1.00 0.52 C ATOM 0 H PHE A 9 4.385 -3.703 -11.492 1.00 0.28 H new ATOM 0 HA PHE A 9 1.975 -2.962 -9.961 1.00 0.34 H new ATOM 0 HB2 PHE A 9 3.778 -1.732 -8.919 1.00 0.35 H new ATOM 0 HB3 PHE A 9 4.423 -1.255 -10.477 1.00 0.35 H new ATOM 0 HD1 PHE A 9 1.438 -0.858 -8.279 1.00 0.40 H new ATOM 0 HD2 PHE A 9 3.742 0.735 -11.487 1.00 0.50 H new ATOM 0 HE1 PHE A 9 0.127 1.217 -8.192 1.00 0.45 H new ATOM 0 HE2 PHE A 9 2.428 2.804 -11.407 1.00 0.56 H new ATOM 0 HZ PHE A 9 0.617 3.049 -9.759 1.00 0.52 H new ATOM 123 N GLU A 10 0.973 -2.489 -12.145 1.00 0.58 N ATOM 124 CA GLU A 10 0.309 -2.246 -13.425 1.00 0.73 C ATOM 125 C GLU A 10 0.762 -3.255 -14.466 1.00 0.64 C ATOM 126 O GLU A 10 1.027 -2.913 -15.620 1.00 0.67 O ATOM 127 CB GLU A 10 0.546 -0.821 -13.924 1.00 0.87 C ATOM 128 CG GLU A 10 0.028 0.243 -12.977 1.00 0.98 C ATOM 129 CD GLU A 10 0.060 1.631 -13.587 1.00 1.21 C ATOM 130 OE1 GLU A 10 1.141 2.256 -13.610 1.00 1.25 O ATOM 131 OE2 GLU A 10 -0.999 2.106 -14.051 1.00 1.46 O ATOM 0 H GLU A 10 0.344 -2.810 -11.409 1.00 0.58 H new ATOM 0 HA GLU A 10 -0.762 -2.366 -13.264 1.00 0.73 H new ATOM 0 HB2 GLU A 10 1.615 -0.671 -14.078 1.00 0.87 H new ATOM 0 HB3 GLU A 10 0.064 -0.699 -14.894 1.00 0.87 H new ATOM 0 HG2 GLU A 10 -0.995 0.000 -12.688 1.00 0.98 H new ATOM 0 HG3 GLU A 10 0.627 0.236 -12.066 1.00 0.98 H new ATOM 138 N LYS A 11 0.848 -4.499 -14.019 1.00 0.58 N ATOM 139 CA LYS A 11 1.123 -5.655 -14.878 1.00 0.55 C ATOM 140 C LYS A 11 2.551 -5.650 -15.426 1.00 0.49 C ATOM 141 O LYS A 11 2.887 -6.430 -16.319 1.00 0.56 O ATOM 142 CB LYS A 11 0.108 -5.734 -16.014 1.00 0.65 C ATOM 143 CG LYS A 11 -1.307 -5.542 -15.519 1.00 0.74 C ATOM 144 CD LYS A 11 -1.754 -6.643 -14.596 1.00 1.29 C ATOM 145 CE LYS A 11 -2.900 -6.180 -13.726 1.00 1.32 C ATOM 146 NZ LYS A 11 -3.322 -7.226 -12.758 1.00 1.91 N ATOM 0 H LYS A 11 0.728 -4.744 -13.036 1.00 0.58 H new ATOM 0 HA LYS A 11 1.026 -6.545 -14.256 1.00 0.55 H new ATOM 0 HB2 LYS A 11 0.338 -4.973 -16.760 1.00 0.65 H new ATOM 0 HB3 LYS A 11 0.191 -6.702 -16.509 1.00 0.65 H new ATOM 0 HG2 LYS A 11 -1.379 -4.586 -15.000 1.00 0.74 H new ATOM 0 HG3 LYS A 11 -1.983 -5.493 -16.373 1.00 0.74 H new ATOM 0 HD2 LYS A 11 -2.062 -7.511 -15.180 1.00 1.29 H new ATOM 0 HD3 LYS A 11 -0.920 -6.960 -13.969 1.00 1.29 H new ATOM 0 HE2 LYS A 11 -2.604 -5.282 -13.183 1.00 1.32 H new ATOM 0 HE3 LYS A 11 -3.746 -5.907 -14.356 1.00 1.32 H new ATOM 0 HZ1 LYS A 11 -4.110 -6.868 -12.181 1.00 1.91 H new ATOM 0 HZ2 LYS A 11 -3.629 -8.074 -13.275 1.00 1.91 H new ATOM 0 HZ3 LYS A 11 -2.522 -7.469 -12.139 1.00 1.91 H new ATOM 160 N VAL A 12 3.386 -4.767 -14.903 1.00 0.44 N ATOM 161 CA VAL A 12 4.802 -4.768 -15.241 1.00 0.42 C ATOM 162 C VAL A 12 5.636 -5.137 -14.022 1.00 0.35 C ATOM 163 O VAL A 12 5.423 -4.615 -12.925 1.00 0.30 O ATOM 164 CB VAL A 12 5.275 -3.407 -15.825 1.00 0.47 C ATOM 165 CG1 VAL A 12 4.472 -2.254 -15.260 1.00 0.47 C ATOM 166 CG2 VAL A 12 6.756 -3.185 -15.552 1.00 0.46 C ATOM 0 H VAL A 12 3.109 -4.040 -14.243 1.00 0.44 H new ATOM 0 HA VAL A 12 4.945 -5.518 -16.019 1.00 0.42 H new ATOM 0 HB VAL A 12 5.114 -3.444 -16.902 1.00 0.47 H new ATOM 0 HG11 VAL A 12 4.828 -1.318 -15.689 1.00 0.47 H new ATOM 0 HG12 VAL A 12 3.419 -2.389 -15.507 1.00 0.47 H new ATOM 0 HG13 VAL A 12 4.590 -2.225 -14.177 1.00 0.47 H new ATOM 0 HG21 VAL A 12 7.063 -2.226 -15.970 1.00 0.46 H new ATOM 0 HG22 VAL A 12 6.932 -3.185 -14.476 1.00 0.46 H new ATOM 0 HG23 VAL A 12 7.335 -3.985 -16.014 1.00 0.46 H new ATOM 176 N SER A 13 6.566 -6.057 -14.217 1.00 0.35 N ATOM 177 CA SER A 13 7.461 -6.468 -13.158 1.00 0.30 C ATOM 178 C SER A 13 8.552 -5.426 -12.967 1.00 0.28 C ATOM 179 O SER A 13 9.340 -5.152 -13.877 1.00 0.40 O ATOM 180 CB SER A 13 8.069 -7.837 -13.478 1.00 0.34 C ATOM 181 OG SER A 13 8.879 -8.309 -12.413 1.00 1.02 O ATOM 0 H SER A 13 6.718 -6.534 -15.106 1.00 0.35 H new ATOM 0 HA SER A 13 6.897 -6.554 -12.229 1.00 0.30 H new ATOM 0 HB2 SER A 13 7.271 -8.553 -13.675 1.00 0.34 H new ATOM 0 HB3 SER A 13 8.666 -7.767 -14.387 1.00 0.34 H new ATOM 0 HG SER A 13 9.250 -9.185 -12.648 1.00 1.02 H new ATOM 187 N GLY A 14 8.582 -4.836 -11.788 1.00 0.16 N ATOM 188 CA GLY A 14 9.557 -3.823 -11.494 1.00 0.14 C ATOM 189 C GLY A 14 10.147 -3.986 -10.121 1.00 0.12 C ATOM 190 O GLY A 14 10.135 -5.079 -9.562 1.00 0.14 O ATOM 0 H GLY A 14 7.940 -5.045 -11.024 1.00 0.16 H new ATOM 0 HA2 GLY A 14 10.354 -3.861 -12.237 1.00 0.14 H new ATOM 0 HA3 GLY A 14 9.093 -2.840 -11.574 1.00 0.14 H new ATOM 194 N ILE A 15 10.673 -2.907 -9.580 1.00 0.11 N ATOM 195 CA ILE A 15 11.336 -2.942 -8.297 1.00 0.12 C ATOM 196 C ILE A 15 10.758 -1.897 -7.364 1.00 0.10 C ATOM 197 O ILE A 15 10.239 -0.891 -7.802 1.00 0.08 O ATOM 198 CB ILE A 15 12.846 -2.697 -8.435 1.00 0.15 C ATOM 199 CG1 ILE A 15 13.418 -3.481 -9.615 1.00 0.17 C ATOM 200 CG2 ILE A 15 13.580 -3.068 -7.158 1.00 0.17 C ATOM 201 CD1 ILE A 15 13.456 -4.979 -9.450 1.00 0.19 C ATOM 0 H ILE A 15 10.652 -1.985 -10.017 1.00 0.11 H new ATOM 0 HA ILE A 15 11.173 -3.938 -7.884 1.00 0.12 H new ATOM 0 HB ILE A 15 12.992 -1.633 -8.619 1.00 0.15 H new ATOM 0 HG12 ILE A 15 12.830 -3.247 -10.502 1.00 0.17 H new ATOM 0 HG13 ILE A 15 14.432 -3.129 -9.803 1.00 0.17 H new ATOM 0 HG21 ILE A 15 14.647 -2.884 -7.285 1.00 0.17 H new ATOM 0 HG22 ILE A 15 13.203 -2.463 -6.333 1.00 0.17 H new ATOM 0 HG23 ILE A 15 13.417 -4.123 -6.938 1.00 0.17 H new ATOM 0 HD11 ILE A 15 13.880 -5.433 -10.346 1.00 0.19 H new ATOM 0 HD12 ILE A 15 14.072 -5.235 -8.588 1.00 0.19 H new ATOM 0 HD13 ILE A 15 12.444 -5.354 -9.297 1.00 0.19 H new ATOM 213 N ILE A 16 10.856 -2.156 -6.086 1.00 0.13 N ATOM 214 CA ILE A 16 10.371 -1.248 -5.064 1.00 0.11 C ATOM 215 C ILE A 16 11.502 -0.901 -4.109 1.00 0.12 C ATOM 216 O ILE A 16 12.258 -1.772 -3.683 1.00 0.15 O ATOM 217 CB ILE A 16 9.180 -1.869 -4.297 1.00 0.12 C ATOM 218 CG1 ILE A 16 7.915 -1.082 -4.597 1.00 0.12 C ATOM 219 CG2 ILE A 16 9.421 -1.912 -2.792 1.00 0.13 C ATOM 220 CD1 ILE A 16 6.673 -1.686 -3.986 1.00 0.16 C ATOM 0 H ILE A 16 11.277 -3.008 -5.716 1.00 0.13 H new ATOM 0 HA ILE A 16 10.019 -0.335 -5.543 1.00 0.11 H new ATOM 0 HB ILE A 16 9.069 -2.899 -4.636 1.00 0.12 H new ATOM 0 HG12 ILE A 16 8.034 -0.063 -4.228 1.00 0.12 H new ATOM 0 HG13 ILE A 16 7.784 -1.017 -5.677 1.00 0.12 H new ATOM 0 HG21 ILE A 16 8.557 -2.356 -2.298 1.00 0.13 H new ATOM 0 HG22 ILE A 16 10.307 -2.511 -2.582 1.00 0.13 H new ATOM 0 HG23 ILE A 16 9.572 -0.899 -2.419 1.00 0.13 H new ATOM 0 HD11 ILE A 16 5.808 -1.074 -4.240 1.00 0.16 H new ATOM 0 HD12 ILE A 16 6.530 -2.695 -4.374 1.00 0.16 H new ATOM 0 HD13 ILE A 16 6.783 -1.726 -2.902 1.00 0.16 H new ATOM 232 N ALA A 17 11.652 0.374 -3.821 1.00 0.10 N ATOM 233 CA ALA A 17 12.679 0.811 -2.895 1.00 0.10 C ATOM 234 C ALA A 17 12.166 1.869 -1.928 1.00 0.08 C ATOM 235 O ALA A 17 11.907 3.002 -2.316 1.00 0.08 O ATOM 236 CB ALA A 17 13.884 1.318 -3.663 1.00 0.12 C ATOM 0 H ALA A 17 11.081 1.124 -4.211 1.00 0.10 H new ATOM 0 HA ALA A 17 12.975 -0.048 -2.293 1.00 0.10 H new ATOM 0 HB1 ALA A 17 14.652 1.645 -2.961 1.00 0.12 H new ATOM 0 HB2 ALA A 17 14.280 0.518 -4.288 1.00 0.12 H new ATOM 0 HB3 ALA A 17 13.588 2.157 -4.293 1.00 0.12 H new ATOM 242 N ILE A 18 12.022 1.491 -0.670 1.00 0.08 N ATOM 243 CA ILE A 18 11.708 2.435 0.385 1.00 0.08 C ATOM 244 C ILE A 18 12.993 3.055 0.890 1.00 0.09 C ATOM 245 O ILE A 18 13.741 2.429 1.639 1.00 0.18 O ATOM 246 CB ILE A 18 11.041 1.806 1.610 1.00 0.10 C ATOM 247 CG1 ILE A 18 9.862 0.915 1.216 1.00 0.12 C ATOM 248 CG2 ILE A 18 10.609 2.918 2.566 1.00 0.13 C ATOM 249 CD1 ILE A 18 10.251 -0.516 0.941 1.00 0.12 C ATOM 0 H ILE A 18 12.119 0.526 -0.353 1.00 0.08 H new ATOM 0 HA ILE A 18 11.017 3.151 -0.061 1.00 0.08 H new ATOM 0 HB ILE A 18 11.759 1.159 2.114 1.00 0.10 H new ATOM 0 HG12 ILE A 18 9.121 0.934 2.015 1.00 0.12 H new ATOM 0 HG13 ILE A 18 9.385 1.330 0.328 1.00 0.12 H new ATOM 0 HG21 ILE A 18 10.132 2.479 3.443 1.00 0.13 H new ATOM 0 HG22 ILE A 18 11.483 3.491 2.877 1.00 0.13 H new ATOM 0 HG23 ILE A 18 9.903 3.578 2.061 1.00 0.13 H new ATOM 0 HD11 ILE A 18 9.364 -1.088 0.668 1.00 0.12 H new ATOM 0 HD12 ILE A 18 10.969 -0.547 0.122 1.00 0.12 H new ATOM 0 HD13 ILE A 18 10.701 -0.949 1.834 1.00 0.12 H new ATOM 261 N ASN A 19 13.252 4.267 0.495 1.00 0.13 N ATOM 262 CA ASN A 19 14.463 4.934 0.908 1.00 0.18 C ATOM 263 C ASN A 19 14.142 6.049 1.857 1.00 0.20 C ATOM 264 O ASN A 19 13.266 6.866 1.576 1.00 0.21 O ATOM 265 CB ASN A 19 15.213 5.461 -0.325 1.00 0.22 C ATOM 266 CG ASN A 19 16.050 6.696 -0.039 1.00 0.43 C ATOM 267 OD1 ASN A 19 15.470 7.866 -0.279 1.00 1.12 O flip ATOM 268 ND2 ASN A 19 17.203 6.602 0.379 1.00 0.29 N flip ATOM 0 H ASN A 19 12.645 4.818 -0.112 1.00 0.13 H new ATOM 0 HA ASN A 19 15.106 4.223 1.427 1.00 0.18 H new ATOM 0 HB2 ASN A 19 15.860 4.674 -0.711 1.00 0.22 H new ATOM 0 HB3 ASN A 19 14.491 5.693 -1.108 1.00 0.22 H new ATOM 0 HD21 ASN A 19 17.610 5.683 0.550 1.00 0.29 H new ATOM 0 HD22 ASN A 19 17.752 7.444 0.555 1.00 0.29 H new ATOM 275 N GLU A 20 14.815 6.100 2.998 1.00 0.24 N ATOM 276 CA GLU A 20 14.749 7.323 3.730 1.00 0.28 C ATOM 277 C GLU A 20 16.107 8.006 3.598 1.00 0.34 C ATOM 278 O GLU A 20 16.985 7.858 4.451 1.00 0.40 O ATOM 279 CB GLU A 20 14.496 7.046 5.212 1.00 0.33 C ATOM 280 CG GLU A 20 13.268 6.214 5.499 1.00 0.33 C ATOM 281 CD GLU A 20 13.017 6.074 6.984 1.00 0.55 C ATOM 282 OE1 GLU A 20 13.011 7.108 7.685 1.00 0.70 O ATOM 283 OE2 GLU A 20 12.847 4.933 7.466 1.00 0.74 O ATOM 0 H GLU A 20 15.376 5.351 3.405 1.00 0.24 H new ATOM 0 HA GLU A 20 13.941 7.943 3.342 1.00 0.28 H new ATOM 0 HB2 GLU A 20 15.367 6.538 5.626 1.00 0.33 H new ATOM 0 HB3 GLU A 20 14.403 7.998 5.735 1.00 0.33 H new ATOM 0 HG2 GLU A 20 12.400 6.673 5.026 1.00 0.33 H new ATOM 0 HG3 GLU A 20 13.388 5.225 5.056 1.00 0.33 H new ATOM 290 N ASP A 21 16.272 8.727 2.512 1.00 0.35 N ATOM 291 CA ASP A 21 17.215 9.824 2.382 1.00 0.41 C ATOM 292 C ASP A 21 16.407 11.045 2.016 1.00 0.41 C ATOM 293 O ASP A 21 16.861 12.188 2.046 1.00 0.46 O ATOM 294 CB ASP A 21 18.272 9.510 1.319 1.00 0.44 C ATOM 295 CG ASP A 21 19.154 10.700 0.992 1.00 0.51 C ATOM 296 OD1 ASP A 21 20.076 10.997 1.780 1.00 0.59 O ATOM 297 OD2 ASP A 21 18.930 11.340 -0.056 1.00 0.53 O ATOM 0 H ASP A 21 15.735 8.562 1.661 1.00 0.35 H new ATOM 0 HA ASP A 21 17.758 9.990 3.312 1.00 0.41 H new ATOM 0 HB2 ASP A 21 18.896 8.687 1.667 1.00 0.44 H new ATOM 0 HB3 ASP A 21 17.776 9.172 0.410 1.00 0.44 H new ATOM 302 N VAL A 22 15.163 10.737 1.701 1.00 0.35 N ATOM 303 CA VAL A 22 14.312 11.573 0.881 1.00 0.33 C ATOM 304 C VAL A 22 13.322 12.363 1.738 1.00 0.31 C ATOM 305 O VAL A 22 13.333 12.260 2.969 1.00 0.30 O ATOM 306 CB VAL A 22 13.560 10.615 -0.095 1.00 0.30 C ATOM 307 CG1 VAL A 22 12.634 9.691 0.676 1.00 0.25 C ATOM 308 CG2 VAL A 22 12.795 11.330 -1.196 1.00 0.32 C ATOM 0 H VAL A 22 14.708 9.880 2.016 1.00 0.35 H new ATOM 0 HA VAL A 22 14.902 12.309 0.334 1.00 0.33 H new ATOM 0 HB VAL A 22 14.333 10.032 -0.595 1.00 0.30 H new ATOM 0 HG11 VAL A 22 12.118 9.030 -0.020 1.00 0.25 H new ATOM 0 HG12 VAL A 22 13.217 9.095 1.378 1.00 0.25 H new ATOM 0 HG13 VAL A 22 11.902 10.284 1.224 1.00 0.25 H new ATOM 0 HG21 VAL A 22 12.300 10.595 -1.831 1.00 0.32 H new ATOM 0 HG22 VAL A 22 12.048 11.988 -0.752 1.00 0.32 H new ATOM 0 HG23 VAL A 22 13.488 11.921 -1.796 1.00 0.32 H new ATOM 318 N SER A 23 12.503 13.173 1.075 1.00 0.32 N ATOM 319 CA SER A 23 11.339 13.808 1.678 1.00 0.28 C ATOM 320 C SER A 23 10.493 12.725 2.347 1.00 0.18 C ATOM 321 O SER A 23 10.731 11.553 2.067 1.00 0.16 O ATOM 322 CB SER A 23 10.567 14.540 0.582 1.00 0.35 C ATOM 323 OG SER A 23 11.062 14.170 -0.697 1.00 1.31 O ATOM 0 H SER A 23 12.632 13.409 0.091 1.00 0.32 H new ATOM 0 HA SER A 23 11.623 14.536 2.438 1.00 0.28 H new ATOM 0 HB2 SER A 23 9.506 14.301 0.653 1.00 0.35 H new ATOM 0 HB3 SER A 23 10.661 15.617 0.719 1.00 0.35 H new ATOM 0 HG SER A 23 10.435 13.549 -1.123 1.00 1.31 H new ATOM 329 N PRO A 24 9.492 13.047 3.201 1.00 0.16 N ATOM 330 CA PRO A 24 9.018 12.098 4.225 1.00 0.16 C ATOM 331 C PRO A 24 8.854 10.701 3.656 1.00 0.15 C ATOM 332 O PRO A 24 8.126 10.527 2.680 1.00 0.22 O ATOM 333 CB PRO A 24 7.649 12.675 4.610 1.00 0.21 C ATOM 334 CG PRO A 24 7.325 13.612 3.499 1.00 0.19 C ATOM 335 CD PRO A 24 8.641 14.238 3.172 1.00 0.17 C ATOM 0 HA PRO A 24 9.711 11.997 5.061 1.00 0.16 H new ATOM 0 HB2 PRO A 24 6.897 11.891 4.702 1.00 0.21 H new ATOM 0 HB3 PRO A 24 7.690 13.192 5.569 1.00 0.21 H new ATOM 0 HG2 PRO A 24 6.907 13.086 2.641 1.00 0.19 H new ATOM 0 HG3 PRO A 24 6.591 14.358 3.805 1.00 0.19 H new ATOM 0 HD2 PRO A 24 8.641 14.728 2.199 1.00 0.17 H new ATOM 0 HD3 PRO A 24 8.943 14.986 3.906 1.00 0.17 H new ATOM 343 N ALA A 25 9.499 9.731 4.315 1.00 0.15 N ATOM 344 CA ALA A 25 9.986 8.501 3.664 1.00 0.14 C ATOM 345 C ALA A 25 9.226 8.102 2.409 1.00 0.14 C ATOM 346 O ALA A 25 8.001 8.035 2.381 1.00 0.18 O ATOM 347 CB ALA A 25 10.033 7.345 4.631 1.00 0.20 C ATOM 0 H ALA A 25 9.700 9.773 5.314 1.00 0.15 H new ATOM 0 HA ALA A 25 10.997 8.747 3.338 1.00 0.14 H new ATOM 0 HB1 ALA A 25 10.396 6.455 4.117 1.00 0.20 H new ATOM 0 HB2 ALA A 25 10.704 7.587 5.455 1.00 0.20 H new ATOM 0 HB3 ALA A 25 9.033 7.156 5.021 1.00 0.20 H new ATOM 353 N GLU A 26 9.975 7.786 1.379 1.00 0.14 N ATOM 354 CA GLU A 26 9.392 7.539 0.088 1.00 0.15 C ATOM 355 C GLU A 26 9.802 6.173 -0.441 1.00 0.11 C ATOM 356 O GLU A 26 10.945 5.739 -0.294 1.00 0.13 O ATOM 357 CB GLU A 26 9.727 8.654 -0.928 1.00 0.27 C ATOM 358 CG GLU A 26 8.938 9.939 -0.696 1.00 0.66 C ATOM 359 CD GLU A 26 9.154 10.984 -1.777 1.00 0.71 C ATOM 360 OE1 GLU A 26 8.754 10.747 -2.936 1.00 1.14 O ATOM 361 OE2 GLU A 26 9.754 12.042 -1.486 1.00 1.26 O ATOM 0 H GLU A 26 10.990 7.695 1.413 1.00 0.14 H new ATOM 0 HA GLU A 26 8.310 7.545 0.218 1.00 0.15 H new ATOM 0 HB2 GLU A 26 10.793 8.876 -0.875 1.00 0.27 H new ATOM 0 HB3 GLU A 26 9.527 8.290 -1.936 1.00 0.27 H new ATOM 0 HG2 GLU A 26 7.876 9.699 -0.640 1.00 0.66 H new ATOM 0 HG3 GLU A 26 9.221 10.361 0.268 1.00 0.66 H new ATOM 368 N LEU A 27 8.838 5.508 -1.043 1.00 0.10 N ATOM 369 CA LEU A 27 9.040 4.236 -1.706 1.00 0.09 C ATOM 370 C LEU A 27 9.115 4.520 -3.177 1.00 0.09 C ATOM 371 O LEU A 27 8.398 5.371 -3.673 1.00 0.13 O ATOM 372 CB LEU A 27 7.853 3.303 -1.404 1.00 0.11 C ATOM 373 CG LEU A 27 7.679 2.059 -2.303 1.00 0.10 C ATOM 374 CD1 LEU A 27 6.731 1.101 -1.635 1.00 0.15 C ATOM 375 CD2 LEU A 27 7.114 2.408 -3.681 1.00 0.11 C ATOM 0 H LEU A 27 7.875 5.842 -1.086 1.00 0.10 H new ATOM 0 HA LEU A 27 9.951 3.747 -1.360 1.00 0.09 H new ATOM 0 HB2 LEU A 27 7.946 2.963 -0.373 1.00 0.11 H new ATOM 0 HB3 LEU A 27 6.938 3.892 -1.464 1.00 0.11 H new ATOM 0 HG LEU A 27 8.666 1.618 -2.442 1.00 0.10 H new ATOM 0 HD11 LEU A 27 6.602 0.219 -2.263 1.00 0.15 H new ATOM 0 HD12 LEU A 27 7.137 0.802 -0.669 1.00 0.15 H new ATOM 0 HD13 LEU A 27 5.766 1.586 -1.489 1.00 0.15 H new ATOM 0 HD21 LEU A 27 7.011 1.499 -4.273 1.00 0.11 H new ATOM 0 HD22 LEU A 27 6.137 2.878 -3.565 1.00 0.11 H new ATOM 0 HD23 LEU A 27 7.790 3.096 -4.188 1.00 0.11 H new ATOM 387 N THR A 28 9.947 3.816 -3.882 1.00 0.08 N ATOM 388 CA THR A 28 10.086 4.076 -5.284 1.00 0.09 C ATOM 389 C THR A 28 9.977 2.791 -6.075 1.00 0.08 C ATOM 390 O THR A 28 10.859 1.936 -6.013 1.00 0.10 O ATOM 391 CB THR A 28 11.422 4.767 -5.588 1.00 0.14 C ATOM 392 OG1 THR A 28 11.661 5.813 -4.637 1.00 0.21 O ATOM 393 CG2 THR A 28 11.399 5.349 -6.985 1.00 0.14 C ATOM 0 H THR A 28 10.534 3.066 -3.517 1.00 0.08 H new ATOM 0 HA THR A 28 9.278 4.745 -5.581 1.00 0.09 H new ATOM 0 HB THR A 28 12.221 4.029 -5.520 1.00 0.14 H new ATOM 0 HG1 THR A 28 12.516 6.248 -4.837 1.00 0.21 H new ATOM 0 HG21 THR A 28 12.351 5.837 -7.191 1.00 0.14 H new ATOM 0 HG22 THR A 28 11.236 4.551 -7.709 1.00 0.14 H new ATOM 0 HG23 THR A 28 10.593 6.079 -7.062 1.00 0.14 H new ATOM 401 N TRP A 29 8.876 2.640 -6.790 1.00 0.08 N ATOM 402 CA TRP A 29 8.727 1.513 -7.681 1.00 0.08 C ATOM 403 C TRP A 29 9.333 1.851 -9.025 1.00 0.08 C ATOM 404 O TRP A 29 8.855 2.718 -9.740 1.00 0.12 O ATOM 405 CB TRP A 29 7.267 1.102 -7.850 1.00 0.11 C ATOM 406 CG TRP A 29 7.095 -0.071 -8.774 1.00 0.11 C ATOM 407 CD1 TRP A 29 7.196 -1.397 -8.455 1.00 0.13 C ATOM 408 CD2 TRP A 29 6.801 -0.019 -10.173 1.00 0.14 C ATOM 409 NE1 TRP A 29 6.982 -2.169 -9.573 1.00 0.14 N ATOM 410 CE2 TRP A 29 6.742 -1.346 -10.639 1.00 0.14 C ATOM 411 CE3 TRP A 29 6.582 1.020 -11.077 1.00 0.19 C ATOM 412 CZ2 TRP A 29 6.476 -1.656 -11.967 1.00 0.19 C ATOM 413 CZ3 TRP A 29 6.316 0.711 -12.392 1.00 0.24 C ATOM 414 CH2 TRP A 29 6.267 -0.616 -12.828 1.00 0.24 C ATOM 0 H TRP A 29 8.081 3.279 -6.769 1.00 0.08 H new ATOM 0 HA TRP A 29 9.250 0.665 -7.239 1.00 0.08 H new ATOM 0 HB2 TRP A 29 6.849 0.854 -6.874 1.00 0.11 H new ATOM 0 HB3 TRP A 29 6.698 1.948 -8.235 1.00 0.11 H new ATOM 0 HD1 TRP A 29 7.412 -1.782 -7.469 1.00 0.13 H new ATOM 0 HE1 TRP A 29 6.999 -3.188 -9.602 1.00 0.14 H new ATOM 0 HE3 TRP A 29 6.620 2.049 -10.751 1.00 0.19 H new ATOM 0 HZ2 TRP A 29 6.436 -2.681 -12.306 1.00 0.19 H new ATOM 0 HZ3 TRP A 29 6.142 1.508 -13.099 1.00 0.24 H new ATOM 0 HH2 TRP A 29 6.060 -0.824 -13.867 1.00 0.24 H new ATOM 425 N ARG A 30 10.395 1.168 -9.341 1.00 0.10 N ATOM 426 CA ARG A 30 11.113 1.381 -10.568 1.00 0.12 C ATOM 427 C ARG A 30 11.125 0.092 -11.368 1.00 0.13 C ATOM 428 O ARG A 30 11.620 -0.918 -10.889 1.00 0.15 O ATOM 429 CB ARG A 30 12.535 1.827 -10.234 1.00 0.15 C ATOM 430 CG ARG A 30 13.447 1.892 -11.436 1.00 0.21 C ATOM 431 CD ARG A 30 14.423 0.725 -11.444 1.00 0.32 C ATOM 432 NE ARG A 30 15.184 0.644 -12.691 1.00 0.33 N ATOM 433 CZ ARG A 30 15.994 -0.369 -13.008 1.00 0.47 C ATOM 434 NH1 ARG A 30 16.192 -1.364 -12.153 1.00 0.87 N ATOM 435 NH2 ARG A 30 16.627 -0.377 -14.173 1.00 0.51 N ATOM 0 H ARG A 30 10.793 0.439 -8.749 1.00 0.10 H new ATOM 0 HA ARG A 30 10.631 2.155 -11.166 1.00 0.12 H new ATOM 0 HB2 ARG A 30 12.497 2.810 -9.763 1.00 0.15 H new ATOM 0 HB3 ARG A 30 12.960 1.139 -9.503 1.00 0.15 H new ATOM 0 HG2 ARG A 30 12.852 1.879 -12.349 1.00 0.21 H new ATOM 0 HG3 ARG A 30 13.999 2.832 -11.428 1.00 0.21 H new ATOM 0 HD2 ARG A 30 15.113 0.826 -10.606 1.00 0.32 H new ATOM 0 HD3 ARG A 30 13.875 -0.205 -11.295 1.00 0.32 H new ATOM 0 HE ARG A 30 15.090 1.409 -13.359 1.00 0.33 H new ATOM 0 HH11 ARG A 30 15.724 -1.358 -11.247 1.00 0.87 H new ATOM 0 HH12 ARG A 30 16.812 -2.135 -12.402 1.00 0.87 H new ATOM 0 HH21 ARG A 30 16.496 0.392 -14.830 1.00 0.51 H new ATOM 0 HH22 ARG A 30 17.245 -1.152 -14.412 1.00 0.51 H new ATOM 449 N SER A 31 10.585 0.122 -12.582 1.00 0.16 N ATOM 450 CA SER A 31 10.508 -1.073 -13.405 1.00 0.18 C ATOM 451 C SER A 31 11.894 -1.666 -13.580 1.00 0.20 C ATOM 452 O SER A 31 12.872 -0.942 -13.723 1.00 0.24 O ATOM 453 CB SER A 31 9.920 -0.734 -14.772 1.00 0.28 C ATOM 454 OG SER A 31 8.676 -0.077 -14.649 1.00 0.75 O ATOM 0 H SER A 31 10.196 0.960 -13.014 1.00 0.16 H new ATOM 0 HA SER A 31 9.863 -1.799 -12.911 1.00 0.18 H new ATOM 0 HB2 SER A 31 10.615 -0.100 -15.322 1.00 0.28 H new ATOM 0 HB3 SER A 31 9.795 -1.648 -15.353 1.00 0.28 H new ATOM 0 HG SER A 31 8.144 -0.512 -13.950 1.00 0.75 H new ATOM 460 N THR A 32 11.951 -2.989 -13.556 1.00 0.20 N ATOM 461 CA THR A 32 13.209 -3.724 -13.655 1.00 0.26 C ATOM 462 C THR A 32 13.996 -3.302 -14.902 1.00 0.30 C ATOM 463 O THR A 32 15.225 -3.302 -14.903 1.00 0.38 O ATOM 464 CB THR A 32 12.946 -5.241 -13.701 1.00 0.31 C ATOM 465 OG1 THR A 32 12.114 -5.618 -12.596 1.00 0.31 O ATOM 466 CG2 THR A 32 14.247 -6.028 -13.644 1.00 0.39 C ATOM 0 H THR A 32 11.129 -3.586 -13.467 1.00 0.20 H new ATOM 0 HA THR A 32 13.801 -3.489 -12.771 1.00 0.26 H new ATOM 0 HB THR A 32 12.446 -5.471 -14.642 1.00 0.31 H new ATOM 0 HG1 THR A 32 11.946 -6.583 -12.627 1.00 0.31 H new ATOM 0 HG21 THR A 32 14.028 -7.095 -13.678 1.00 0.39 H new ATOM 0 HG22 THR A 32 14.873 -5.758 -14.495 1.00 0.39 H new ATOM 0 HG23 THR A 32 14.773 -5.795 -12.718 1.00 0.39 H new ATOM 474 N ASP A 33 13.273 -2.935 -15.958 1.00 0.32 N ATOM 475 CA ASP A 33 13.879 -2.500 -17.200 1.00 0.39 C ATOM 476 C ASP A 33 14.120 -0.992 -17.210 1.00 0.37 C ATOM 477 O ASP A 33 14.779 -0.464 -18.102 1.00 0.44 O ATOM 478 CB ASP A 33 12.963 -2.878 -18.355 1.00 0.52 C ATOM 479 CG ASP A 33 12.820 -4.374 -18.523 1.00 1.60 C ATOM 480 OD1 ASP A 33 13.712 -4.994 -19.143 1.00 2.07 O ATOM 481 OD2 ASP A 33 11.813 -4.937 -18.048 1.00 2.33 O ATOM 0 H ASP A 33 12.253 -2.933 -15.970 1.00 0.32 H new ATOM 0 HA ASP A 33 14.846 -2.992 -17.303 1.00 0.39 H new ATOM 0 HB2 ASP A 33 11.979 -2.440 -18.191 1.00 0.52 H new ATOM 0 HB3 ASP A 33 13.353 -2.449 -19.278 1.00 0.52 H new ATOM 486 N GLY A 34 13.586 -0.302 -16.210 1.00 0.36 N ATOM 487 CA GLY A 34 13.725 1.141 -16.140 1.00 0.37 C ATOM 488 C GLY A 34 12.638 1.868 -16.908 1.00 0.42 C ATOM 489 O GLY A 34 12.787 3.046 -17.239 1.00 0.55 O ATOM 0 H GLY A 34 13.057 -0.717 -15.443 1.00 0.36 H new ATOM 0 HA2 GLY A 34 13.700 1.455 -15.096 1.00 0.37 H new ATOM 0 HA3 GLY A 34 14.699 1.428 -16.536 1.00 0.37 H new ATOM 493 N ASP A 35 11.546 1.166 -17.186 1.00 0.45 N ATOM 494 CA ASP A 35 10.440 1.731 -17.954 1.00 0.55 C ATOM 495 C ASP A 35 9.656 2.754 -17.137 1.00 0.46 C ATOM 496 O ASP A 35 9.693 3.949 -17.422 1.00 0.74 O ATOM 497 CB ASP A 35 9.509 0.623 -18.439 1.00 0.73 C ATOM 498 CG ASP A 35 8.400 1.137 -19.339 1.00 0.89 C ATOM 499 OD1 ASP A 35 8.668 1.419 -20.525 1.00 1.13 O ATOM 500 OD2 ASP A 35 7.257 1.280 -18.858 1.00 0.92 O ATOM 0 H ASP A 35 11.401 0.201 -16.890 1.00 0.45 H new ATOM 0 HA ASP A 35 10.865 2.244 -18.817 1.00 0.55 H new ATOM 0 HB2 ASP A 35 10.091 -0.124 -18.978 1.00 0.73 H new ATOM 0 HB3 ASP A 35 9.068 0.122 -17.577 1.00 0.73 H new ATOM 505 N LYS A 36 8.960 2.282 -16.120 1.00 0.34 N ATOM 506 CA LYS A 36 8.136 3.147 -15.287 1.00 0.34 C ATOM 507 C LYS A 36 8.722 3.308 -13.897 1.00 0.27 C ATOM 508 O LYS A 36 9.428 2.431 -13.396 1.00 0.34 O ATOM 509 CB LYS A 36 6.717 2.593 -15.183 1.00 0.55 C ATOM 510 CG LYS A 36 5.872 2.863 -16.406 1.00 0.92 C ATOM 511 CD LYS A 36 4.867 1.745 -16.650 1.00 0.90 C ATOM 512 CE LYS A 36 3.834 1.641 -15.537 1.00 1.25 C ATOM 513 NZ LYS A 36 2.938 2.827 -15.488 1.00 2.03 N ATOM 0 H LYS A 36 8.947 1.299 -15.847 1.00 0.34 H new ATOM 0 HA LYS A 36 8.110 4.128 -15.762 1.00 0.34 H new ATOM 0 HB2 LYS A 36 6.767 1.517 -15.016 1.00 0.55 H new ATOM 0 HB3 LYS A 36 6.229 3.028 -14.311 1.00 0.55 H new ATOM 0 HG2 LYS A 36 5.343 3.808 -16.282 1.00 0.92 H new ATOM 0 HG3 LYS A 36 6.517 2.970 -17.278 1.00 0.92 H new ATOM 0 HD2 LYS A 36 4.359 1.917 -17.599 1.00 0.90 H new ATOM 0 HD3 LYS A 36 5.397 0.797 -16.740 1.00 0.90 H new ATOM 0 HE2 LYS A 36 3.236 0.742 -15.682 1.00 1.25 H new ATOM 0 HE3 LYS A 36 4.344 1.533 -14.580 1.00 1.25 H new ATOM 0 HZ1 LYS A 36 2.124 2.622 -14.874 1.00 2.03 H new ATOM 0 HZ2 LYS A 36 3.461 3.642 -15.109 1.00 2.03 H new ATOM 0 HZ3 LYS A 36 2.601 3.047 -16.447 1.00 2.03 H new ATOM 527 N VAL A 37 8.424 4.438 -13.288 1.00 0.22 N ATOM 528 CA VAL A 37 8.852 4.725 -11.923 1.00 0.21 C ATOM 529 C VAL A 37 7.712 5.384 -11.149 1.00 0.22 C ATOM 530 O VAL A 37 7.242 6.465 -11.511 1.00 0.32 O ATOM 531 CB VAL A 37 10.100 5.641 -11.879 1.00 0.22 C ATOM 532 CG1 VAL A 37 10.479 5.965 -10.441 1.00 0.54 C ATOM 533 CG2 VAL A 37 11.278 4.995 -12.596 1.00 0.55 C ATOM 0 H VAL A 37 7.880 5.185 -13.719 1.00 0.22 H new ATOM 0 HA VAL A 37 9.121 3.774 -11.462 1.00 0.21 H new ATOM 0 HB VAL A 37 9.850 6.569 -12.394 1.00 0.22 H new ATOM 0 HG11 VAL A 37 11.358 6.609 -10.433 1.00 0.54 H new ATOM 0 HG12 VAL A 37 9.650 6.476 -9.953 1.00 0.54 H new ATOM 0 HG13 VAL A 37 10.701 5.041 -9.906 1.00 0.54 H new ATOM 0 HG21 VAL A 37 12.141 5.659 -12.550 1.00 0.55 H new ATOM 0 HG22 VAL A 37 11.523 4.049 -12.114 1.00 0.55 H new ATOM 0 HG23 VAL A 37 11.015 4.814 -13.638 1.00 0.55 H new ATOM 543 N HIS A 38 7.258 4.719 -10.099 1.00 0.17 N ATOM 544 CA HIS A 38 6.152 5.202 -9.295 1.00 0.19 C ATOM 545 C HIS A 38 6.576 5.321 -7.837 1.00 0.17 C ATOM 546 O HIS A 38 6.842 4.320 -7.179 1.00 0.17 O ATOM 547 CB HIS A 38 4.982 4.240 -9.410 1.00 0.25 C ATOM 548 CG HIS A 38 3.660 4.850 -9.052 1.00 0.41 C ATOM 549 ND1 HIS A 38 2.795 5.365 -9.990 1.00 0.52 N ATOM 550 CD2 HIS A 38 3.055 5.021 -7.855 1.00 0.56 C ATOM 551 CE1 HIS A 38 1.718 5.827 -9.388 1.00 0.67 C ATOM 552 NE2 HIS A 38 1.848 5.633 -8.091 1.00 0.69 N ATOM 0 H HIS A 38 7.647 3.831 -9.782 1.00 0.17 H new ATOM 0 HA HIS A 38 5.852 6.185 -9.657 1.00 0.19 H new ATOM 0 HB2 HIS A 38 4.933 3.863 -10.431 1.00 0.25 H new ATOM 0 HB3 HIS A 38 5.163 3.383 -8.762 1.00 0.25 H new ATOM 0 HD2 HIS A 38 3.448 4.730 -6.892 1.00 0.56 H new ATOM 0 HE1 HIS A 38 0.871 6.287 -9.875 1.00 0.67 H new ATOM 0 HE2 HIS A 38 1.165 5.894 -7.380 1.00 0.69 H new ATOM 561 N THR A 39 6.625 6.537 -7.333 1.00 0.18 N ATOM 562 CA THR A 39 7.100 6.774 -5.982 1.00 0.17 C ATOM 563 C THR A 39 5.923 6.976 -5.010 1.00 0.19 C ATOM 564 O THR A 39 4.898 7.545 -5.382 1.00 0.30 O ATOM 565 CB THR A 39 8.012 8.013 -5.950 1.00 0.22 C ATOM 566 OG1 THR A 39 8.995 7.916 -6.991 1.00 0.23 O ATOM 567 CG2 THR A 39 8.707 8.140 -4.607 1.00 0.23 C ATOM 0 H THR A 39 6.342 7.377 -7.837 1.00 0.18 H new ATOM 0 HA THR A 39 7.666 5.897 -5.666 1.00 0.17 H new ATOM 0 HB THR A 39 7.395 8.898 -6.106 1.00 0.22 H new ATOM 0 HG1 THR A 39 9.573 8.707 -6.970 1.00 0.23 H new ATOM 0 HG21 THR A 39 9.346 9.023 -4.610 1.00 0.23 H new ATOM 0 HG22 THR A 39 7.960 8.235 -3.818 1.00 0.23 H new ATOM 0 HG23 THR A 39 9.315 7.253 -4.427 1.00 0.23 H new ATOM 575 N VAL A 40 6.061 6.485 -3.781 1.00 0.13 N ATOM 576 CA VAL A 40 5.042 6.663 -2.748 1.00 0.18 C ATOM 577 C VAL A 40 5.576 7.463 -1.553 1.00 0.11 C ATOM 578 O VAL A 40 6.618 7.123 -1.000 1.00 0.11 O ATOM 579 CB VAL A 40 4.548 5.294 -2.236 1.00 0.30 C ATOM 580 CG1 VAL A 40 3.733 5.457 -0.974 1.00 0.47 C ATOM 581 CG2 VAL A 40 3.731 4.575 -3.290 1.00 0.66 C ATOM 0 H VAL A 40 6.877 5.956 -3.474 1.00 0.13 H new ATOM 0 HA VAL A 40 4.221 7.215 -3.206 1.00 0.18 H new ATOM 0 HB VAL A 40 5.428 4.690 -2.013 1.00 0.30 H new ATOM 0 HG11 VAL A 40 3.395 4.479 -0.630 1.00 0.47 H new ATOM 0 HG12 VAL A 40 4.347 5.921 -0.202 1.00 0.47 H new ATOM 0 HG13 VAL A 40 2.869 6.089 -1.178 1.00 0.47 H new ATOM 0 HG21 VAL A 40 3.398 3.614 -2.899 1.00 0.66 H new ATOM 0 HG22 VAL A 40 2.864 5.180 -3.553 1.00 0.66 H new ATOM 0 HG23 VAL A 40 4.343 4.413 -4.177 1.00 0.66 H new ATOM 591 N VAL A 41 4.858 8.519 -1.154 1.00 0.10 N ATOM 592 CA VAL A 41 5.197 9.260 0.059 1.00 0.10 C ATOM 593 C VAL A 41 4.457 8.664 1.244 1.00 0.08 C ATOM 594 O VAL A 41 3.245 8.826 1.388 1.00 0.09 O ATOM 595 CB VAL A 41 4.864 10.767 -0.043 1.00 0.13 C ATOM 596 CG1 VAL A 41 5.370 11.519 1.190 1.00 0.14 C ATOM 597 CG2 VAL A 41 5.452 11.362 -1.314 1.00 0.18 C ATOM 0 H VAL A 41 4.043 8.876 -1.653 1.00 0.10 H new ATOM 0 HA VAL A 41 6.275 9.174 0.193 1.00 0.10 H new ATOM 0 HB VAL A 41 3.780 10.874 -0.085 1.00 0.13 H new ATOM 0 HG11 VAL A 41 5.125 12.577 1.097 1.00 0.14 H new ATOM 0 HG12 VAL A 41 4.895 11.114 2.084 1.00 0.14 H new ATOM 0 HG13 VAL A 41 6.451 11.403 1.269 1.00 0.14 H new ATOM 0 HG21 VAL A 41 5.206 12.423 -1.367 1.00 0.18 H new ATOM 0 HG22 VAL A 41 6.535 11.240 -1.305 1.00 0.18 H new ATOM 0 HG23 VAL A 41 5.036 10.850 -2.182 1.00 0.18 H new ATOM 607 N LEU A 42 5.212 7.991 2.084 1.00 0.08 N ATOM 608 CA LEU A 42 4.695 7.292 3.261 1.00 0.09 C ATOM 609 C LEU A 42 3.875 8.204 4.171 1.00 0.10 C ATOM 610 O LEU A 42 2.957 7.747 4.846 1.00 0.12 O ATOM 611 CB LEU A 42 5.848 6.680 4.059 1.00 0.10 C ATOM 612 CG LEU A 42 6.404 5.346 3.541 1.00 0.10 C ATOM 613 CD1 LEU A 42 5.502 4.214 3.990 1.00 0.12 C ATOM 614 CD2 LEU A 42 6.547 5.333 2.024 1.00 0.10 C ATOM 0 H LEU A 42 6.223 7.907 1.974 1.00 0.08 H new ATOM 0 HA LEU A 42 4.032 6.507 2.897 1.00 0.09 H new ATOM 0 HB2 LEU A 42 6.664 7.402 4.088 1.00 0.10 H new ATOM 0 HB3 LEU A 42 5.513 6.535 5.086 1.00 0.10 H new ATOM 0 HG LEU A 42 7.402 5.215 3.959 1.00 0.10 H new ATOM 0 HD11 LEU A 42 5.896 3.267 3.622 1.00 0.12 H new ATOM 0 HD12 LEU A 42 5.461 4.192 5.079 1.00 0.12 H new ATOM 0 HD13 LEU A 42 4.499 4.368 3.592 1.00 0.12 H new ATOM 0 HD21 LEU A 42 6.944 4.369 1.704 1.00 0.10 H new ATOM 0 HD22 LEU A 42 5.571 5.494 1.565 1.00 0.10 H new ATOM 0 HD23 LEU A 42 7.228 6.126 1.716 1.00 0.10 H new ATOM 626 N SER A 43 4.199 9.489 4.191 1.00 0.12 N ATOM 627 CA SER A 43 3.471 10.423 5.042 1.00 0.15 C ATOM 628 C SER A 43 2.090 10.733 4.476 1.00 0.14 C ATOM 629 O SER A 43 1.130 10.919 5.225 1.00 0.17 O ATOM 630 CB SER A 43 4.264 11.702 5.236 1.00 0.20 C ATOM 631 OG SER A 43 5.439 11.443 5.973 1.00 1.06 O ATOM 0 H SER A 43 4.948 9.905 3.638 1.00 0.12 H new ATOM 0 HA SER A 43 3.335 9.947 6.013 1.00 0.15 H new ATOM 0 HB2 SER A 43 4.521 12.129 4.267 1.00 0.20 H new ATOM 0 HB3 SER A 43 3.655 12.440 5.758 1.00 0.20 H new ATOM 0 HG SER A 43 5.265 11.584 6.927 1.00 1.06 H new ATOM 637 N THR A 44 1.983 10.781 3.153 1.00 0.13 N ATOM 638 CA THR A 44 0.684 10.955 2.518 1.00 0.14 C ATOM 639 C THR A 44 -0.102 9.651 2.603 1.00 0.13 C ATOM 640 O THR A 44 -1.315 9.620 2.415 1.00 0.18 O ATOM 641 CB THR A 44 0.811 11.399 1.044 1.00 0.16 C ATOM 642 OG1 THR A 44 1.467 10.389 0.263 1.00 0.17 O ATOM 643 CG2 THR A 44 1.587 12.701 0.937 1.00 0.20 C ATOM 0 H THR A 44 2.769 10.703 2.508 1.00 0.13 H new ATOM 0 HA THR A 44 0.156 11.746 3.050 1.00 0.14 H new ATOM 0 HB THR A 44 -0.197 11.552 0.657 1.00 0.16 H new ATOM 0 HG1 THR A 44 1.936 9.768 0.859 1.00 0.17 H new ATOM 0 HG21 THR A 44 1.664 12.994 -0.110 1.00 0.20 H new ATOM 0 HG22 THR A 44 1.068 13.481 1.495 1.00 0.20 H new ATOM 0 HG23 THR A 44 2.587 12.564 1.349 1.00 0.20 H new ATOM 651 N ILE A 45 0.619 8.576 2.891 1.00 0.11 N ATOM 652 CA ILE A 45 0.032 7.269 3.096 1.00 0.12 C ATOM 653 C ILE A 45 -0.653 7.169 4.457 1.00 0.16 C ATOM 654 O ILE A 45 -0.026 7.340 5.502 1.00 0.23 O ATOM 655 CB ILE A 45 1.108 6.178 2.990 1.00 0.12 C ATOM 656 CG1 ILE A 45 1.702 6.149 1.580 1.00 0.10 C ATOM 657 CG2 ILE A 45 0.540 4.826 3.360 1.00 0.16 C ATOM 658 CD1 ILE A 45 0.698 5.825 0.483 1.00 0.10 C ATOM 0 H ILE A 45 1.634 8.592 2.989 1.00 0.11 H new ATOM 0 HA ILE A 45 -0.719 7.124 2.319 1.00 0.12 H new ATOM 0 HB ILE A 45 1.906 6.413 3.695 1.00 0.12 H new ATOM 0 HG12 ILE A 45 2.153 7.119 1.369 1.00 0.10 H new ATOM 0 HG13 ILE A 45 2.504 5.411 1.552 1.00 0.10 H new ATOM 0 HG21 ILE A 45 1.320 4.069 3.278 1.00 0.16 H new ATOM 0 HG22 ILE A 45 0.169 4.855 4.385 1.00 0.16 H new ATOM 0 HG23 ILE A 45 -0.279 4.578 2.685 1.00 0.16 H new ATOM 0 HD11 ILE A 45 1.202 5.825 -0.483 1.00 0.10 H new ATOM 0 HD12 ILE A 45 0.264 4.842 0.666 1.00 0.10 H new ATOM 0 HD13 ILE A 45 -0.092 6.576 0.480 1.00 0.10 H new ATOM 670 N ASP A 46 -1.951 6.934 4.422 1.00 0.16 N ATOM 671 CA ASP A 46 -2.740 6.687 5.617 1.00 0.22 C ATOM 672 C ASP A 46 -2.486 5.284 6.168 1.00 0.22 C ATOM 673 O ASP A 46 -2.215 5.116 7.356 1.00 0.28 O ATOM 674 CB ASP A 46 -4.219 6.865 5.284 1.00 0.28 C ATOM 675 CG ASP A 46 -5.138 6.423 6.402 1.00 0.46 C ATOM 676 OD1 ASP A 46 -4.900 6.809 7.564 1.00 0.70 O ATOM 677 OD2 ASP A 46 -6.103 5.683 6.125 1.00 0.61 O ATOM 0 H ASP A 46 -2.493 6.909 3.558 1.00 0.16 H new ATOM 0 HA ASP A 46 -2.446 7.401 6.386 1.00 0.22 H new ATOM 0 HB2 ASP A 46 -4.410 7.914 5.058 1.00 0.28 H new ATOM 0 HB3 ASP A 46 -4.453 6.297 4.384 1.00 0.28 H new ATOM 682 N LYS A 47 -2.561 4.278 5.302 1.00 0.21 N ATOM 683 CA LYS A 47 -2.394 2.885 5.721 1.00 0.27 C ATOM 684 C LYS A 47 -1.464 2.150 4.772 1.00 0.18 C ATOM 685 O LYS A 47 -1.392 2.478 3.598 1.00 0.20 O ATOM 686 CB LYS A 47 -3.737 2.136 5.716 1.00 0.41 C ATOM 687 CG LYS A 47 -4.830 2.763 6.567 1.00 1.07 C ATOM 688 CD LYS A 47 -4.508 2.678 8.046 1.00 1.01 C ATOM 689 CE LYS A 47 -5.685 3.112 8.903 1.00 1.60 C ATOM 690 NZ LYS A 47 -6.094 4.515 8.633 1.00 1.95 N ATOM 0 H LYS A 47 -2.736 4.399 4.304 1.00 0.21 H new ATOM 0 HA LYS A 47 -1.981 2.907 6.729 1.00 0.27 H new ATOM 0 HB2 LYS A 47 -4.093 2.068 4.688 1.00 0.41 H new ATOM 0 HB3 LYS A 47 -3.568 1.117 6.063 1.00 0.41 H new ATOM 0 HG2 LYS A 47 -4.959 3.807 6.282 1.00 1.07 H new ATOM 0 HG3 LYS A 47 -5.777 2.260 6.371 1.00 1.07 H new ATOM 0 HD2 LYS A 47 -4.231 1.655 8.300 1.00 1.01 H new ATOM 0 HD3 LYS A 47 -3.645 3.306 8.267 1.00 1.01 H new ATOM 0 HE2 LYS A 47 -6.530 2.448 8.719 1.00 1.60 H new ATOM 0 HE3 LYS A 47 -5.422 3.009 9.956 1.00 1.60 H new ATOM 0 HZ1 LYS A 47 -6.866 4.781 9.277 1.00 1.95 H new ATOM 0 HZ2 LYS A 47 -5.283 5.148 8.785 1.00 1.95 H new ATOM 0 HZ3 LYS A 47 -6.419 4.598 7.649 1.00 1.95 H new ATOM 704 N LEU A 48 -0.761 1.155 5.270 1.00 0.14 N ATOM 705 CA LEU A 48 -0.112 0.202 4.397 1.00 0.10 C ATOM 706 C LEU A 48 -0.723 -1.161 4.617 1.00 0.11 C ATOM 707 O LEU A 48 -1.056 -1.538 5.738 1.00 0.14 O ATOM 708 CB LEU A 48 1.391 0.121 4.620 1.00 0.10 C ATOM 709 CG LEU A 48 2.028 -1.158 4.082 1.00 0.11 C ATOM 710 CD1 LEU A 48 2.085 -1.150 2.573 1.00 0.12 C ATOM 711 CD2 LEU A 48 3.407 -1.345 4.644 1.00 0.13 C ATOM 0 H LEU A 48 -0.625 0.986 6.267 1.00 0.14 H new ATOM 0 HA LEU A 48 -0.266 0.542 3.373 1.00 0.10 H new ATOM 0 HB2 LEU A 48 1.866 0.979 4.145 1.00 0.10 H new ATOM 0 HB3 LEU A 48 1.594 0.195 5.688 1.00 0.10 H new ATOM 0 HG LEU A 48 1.402 -1.992 4.398 1.00 0.11 H new ATOM 0 HD11 LEU A 48 2.544 -2.074 2.221 1.00 0.12 H new ATOM 0 HD12 LEU A 48 1.075 -1.071 2.171 1.00 0.12 H new ATOM 0 HD13 LEU A 48 2.678 -0.300 2.236 1.00 0.12 H new ATOM 0 HD21 LEU A 48 3.841 -2.263 4.246 1.00 0.13 H new ATOM 0 HD22 LEU A 48 4.032 -0.497 4.364 1.00 0.13 H new ATOM 0 HD23 LEU A 48 3.351 -1.411 5.731 1.00 0.13 H new ATOM 723 N GLN A 49 -0.846 -1.890 3.546 1.00 0.10 N ATOM 724 CA GLN A 49 -1.444 -3.198 3.572 1.00 0.11 C ATOM 725 C GLN A 49 -0.477 -4.210 2.996 1.00 0.10 C ATOM 726 O GLN A 49 0.371 -3.876 2.175 1.00 0.12 O ATOM 727 CB GLN A 49 -2.743 -3.209 2.778 1.00 0.15 C ATOM 728 CG GLN A 49 -3.697 -2.082 3.158 1.00 0.27 C ATOM 729 CD GLN A 49 -5.133 -2.326 2.720 1.00 0.86 C ATOM 730 OE1 GLN A 49 -5.867 -1.389 2.427 1.00 1.49 O ATOM 731 NE2 GLN A 49 -5.561 -3.576 2.707 1.00 1.03 N ATOM 0 H GLN A 49 -0.533 -1.593 2.622 1.00 0.10 H new ATOM 0 HA GLN A 49 -1.670 -3.460 4.606 1.00 0.11 H new ATOM 0 HB2 GLN A 49 -2.511 -3.135 1.716 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -3.244 -4.165 2.929 1.00 0.15 H new ATOM 0 HG2 GLN A 49 -3.674 -1.947 4.239 1.00 0.27 H new ATOM 0 HG3 GLN A 49 -3.343 -1.152 2.713 1.00 0.27 H new ATOM 0 HE21 GLN A 49 -4.927 -4.335 2.956 1.00 1.03 H new ATOM 0 HE22 GLN A 49 -6.526 -3.782 2.448 1.00 1.03 H new ATOM 740 N ALA A 50 -0.608 -5.432 3.447 1.00 0.11 N ATOM 741 CA ALA A 50 0.232 -6.529 3.000 1.00 0.13 C ATOM 742 C ALA A 50 -0.448 -7.842 3.357 1.00 0.18 C ATOM 743 O ALA A 50 -1.111 -7.926 4.393 1.00 0.25 O ATOM 744 CB ALA A 50 1.610 -6.434 3.645 1.00 0.16 C ATOM 0 H ALA A 50 -1.305 -5.702 4.141 1.00 0.11 H new ATOM 0 HA ALA A 50 0.368 -6.478 1.920 1.00 0.13 H new ATOM 0 HB1 ALA A 50 2.230 -7.262 3.302 1.00 0.16 H new ATOM 0 HB2 ALA A 50 2.078 -5.490 3.366 1.00 0.16 H new ATOM 0 HB3 ALA A 50 1.508 -6.482 4.729 1.00 0.16 H new ATOM 750 N THR A 51 -0.321 -8.838 2.484 1.00 0.17 N ATOM 751 CA THR A 51 -0.930 -10.153 2.696 1.00 0.22 C ATOM 752 C THR A 51 -0.653 -10.664 4.109 1.00 0.33 C ATOM 753 O THR A 51 0.484 -10.665 4.583 1.00 0.37 O ATOM 754 CB THR A 51 -0.410 -11.176 1.663 1.00 0.21 C ATOM 755 OG1 THR A 51 1.014 -11.223 1.669 1.00 0.25 O ATOM 756 CG2 THR A 51 -0.891 -10.841 0.262 1.00 0.20 C ATOM 0 H THR A 51 0.204 -8.760 1.613 1.00 0.17 H new ATOM 0 HA THR A 51 -2.006 -10.039 2.568 1.00 0.22 H new ATOM 0 HB THR A 51 -0.806 -12.150 1.949 1.00 0.21 H new ATOM 0 HG1 THR A 51 1.372 -10.320 1.538 1.00 0.25 H new ATOM 0 HG21 THR A 51 -0.507 -11.580 -0.441 1.00 0.20 H new ATOM 0 HG22 THR A 51 -1.981 -10.850 0.240 1.00 0.20 H new ATOM 0 HG23 THR A 51 -0.531 -9.852 -0.020 1.00 0.20 H new ATOM 764 N PRO A 52 -1.721 -11.039 4.808 1.00 0.41 N ATOM 765 CA PRO A 52 -1.664 -11.594 6.164 1.00 0.54 C ATOM 766 C PRO A 52 -1.066 -12.993 6.183 1.00 0.61 C ATOM 767 O PRO A 52 -0.911 -13.615 5.134 1.00 0.58 O ATOM 768 CB PRO A 52 -3.137 -11.646 6.572 1.00 0.64 C ATOM 769 CG PRO A 52 -3.857 -11.785 5.289 1.00 0.60 C ATOM 770 CD PRO A 52 -3.103 -10.942 4.321 1.00 0.45 C ATOM 0 HA PRO A 52 -1.036 -11.001 6.829 1.00 0.54 H new ATOM 0 HB2 PRO A 52 -3.338 -12.487 7.236 1.00 0.64 H new ATOM 0 HB3 PRO A 52 -3.437 -10.742 7.102 1.00 0.64 H new ATOM 0 HG2 PRO A 52 -3.886 -12.825 4.965 1.00 0.60 H new ATOM 0 HG3 PRO A 52 -4.890 -11.451 5.380 1.00 0.60 H new ATOM 0 HD2 PRO A 52 -3.199 -11.314 3.301 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -3.459 -9.912 4.319 1.00 0.45 H new ATOM 778 N ALA A 53 -0.717 -13.479 7.364 1.00 0.73 N ATOM 779 CA ALA A 53 -0.223 -14.842 7.515 1.00 0.86 C ATOM 780 C ALA A 53 -1.226 -15.852 6.951 1.00 0.91 C ATOM 781 O ALA A 53 -0.846 -16.920 6.472 1.00 1.00 O ATOM 782 CB ALA A 53 0.068 -15.141 8.978 1.00 1.02 C ATOM 0 H ALA A 53 -0.766 -12.950 8.235 1.00 0.73 H new ATOM 0 HA ALA A 53 0.704 -14.933 6.949 1.00 0.86 H new ATOM 0 HB1 ALA A 53 0.436 -16.162 9.074 1.00 1.02 H new ATOM 0 HB2 ALA A 53 0.823 -14.447 9.348 1.00 1.02 H new ATOM 0 HB3 ALA A 53 -0.846 -15.028 9.561 1.00 1.02 H new ATOM 788 N SER A 54 -2.507 -15.492 7.002 1.00 0.89 N ATOM 789 CA SER A 54 -3.576 -16.330 6.467 1.00 0.98 C ATOM 790 C SER A 54 -3.523 -16.384 4.939 1.00 0.88 C ATOM 791 O SER A 54 -3.980 -17.345 4.322 1.00 0.97 O ATOM 792 CB SER A 54 -4.930 -15.781 6.912 1.00 1.07 C ATOM 793 OG SER A 54 -5.013 -15.710 8.326 1.00 1.58 O ATOM 0 H SER A 54 -2.831 -14.616 7.413 1.00 0.89 H new ATOM 0 HA SER A 54 -3.441 -17.341 6.851 1.00 0.98 H new ATOM 0 HB2 SER A 54 -5.082 -14.789 6.486 1.00 1.07 H new ATOM 0 HB3 SER A 54 -5.728 -16.418 6.529 1.00 1.07 H new ATOM 0 HG SER A 54 -5.889 -15.354 8.585 1.00 1.58 H new ATOM 799 N SER A 55 -2.955 -15.349 4.342 1.00 0.71 N ATOM 800 CA SER A 55 -2.822 -15.273 2.898 1.00 0.61 C ATOM 801 C SER A 55 -1.712 -16.210 2.423 1.00 0.63 C ATOM 802 O SER A 55 -0.651 -16.295 3.044 1.00 0.71 O ATOM 803 CB SER A 55 -2.500 -13.835 2.465 1.00 0.55 C ATOM 804 OG SER A 55 -2.413 -13.731 1.053 1.00 0.54 O ATOM 0 H SER A 55 -2.576 -14.544 4.841 1.00 0.71 H new ATOM 0 HA SER A 55 -3.767 -15.576 2.448 1.00 0.61 H new ATOM 0 HB2 SER A 55 -3.272 -13.160 2.835 1.00 0.55 H new ATOM 0 HB3 SER A 55 -1.558 -13.520 2.914 1.00 0.55 H new ATOM 0 HG SER A 55 -2.685 -12.832 0.774 1.00 0.54 H new ATOM 810 N GLU A 56 -1.965 -16.923 1.334 1.00 0.61 N ATOM 811 CA GLU A 56 -0.954 -17.778 0.725 1.00 0.69 C ATOM 812 C GLU A 56 -0.194 -16.995 -0.330 1.00 0.60 C ATOM 813 O GLU A 56 0.704 -17.512 -0.998 1.00 0.70 O ATOM 814 CB GLU A 56 -1.590 -18.997 0.082 1.00 0.80 C ATOM 815 CG GLU A 56 -2.681 -19.630 0.920 1.00 1.19 C ATOM 816 CD GLU A 56 -4.059 -19.101 0.571 1.00 2.20 C ATOM 817 OE1 GLU A 56 -4.464 -18.056 1.123 1.00 2.66 O ATOM 818 OE2 GLU A 56 -4.741 -19.726 -0.265 1.00 2.89 O ATOM 0 H GLU A 56 -2.864 -16.926 0.853 1.00 0.61 H new ATOM 0 HA GLU A 56 -0.272 -18.112 1.507 1.00 0.69 H new ATOM 0 HB2 GLU A 56 -2.006 -18.711 -0.884 1.00 0.80 H new ATOM 0 HB3 GLU A 56 -0.816 -19.740 -0.111 1.00 0.80 H new ATOM 0 HG2 GLU A 56 -2.663 -20.711 0.778 1.00 1.19 H new ATOM 0 HG3 GLU A 56 -2.480 -19.443 1.975 1.00 1.19 H new ATOM 825 N LYS A 57 -0.584 -15.744 -0.483 1.00 0.46 N ATOM 826 CA LYS A 57 -0.010 -14.869 -1.485 1.00 0.39 C ATOM 827 C LYS A 57 0.870 -13.830 -0.822 1.00 0.32 C ATOM 828 O LYS A 57 0.974 -13.776 0.407 1.00 0.39 O ATOM 829 CB LYS A 57 -1.121 -14.179 -2.274 1.00 0.41 C ATOM 830 CG LYS A 57 -2.337 -15.060 -2.539 1.00 0.56 C ATOM 831 CD LYS A 57 -2.006 -16.274 -3.385 1.00 0.89 C ATOM 832 CE LYS A 57 -1.443 -15.886 -4.738 1.00 1.84 C ATOM 833 NZ LYS A 57 -1.165 -17.071 -5.590 1.00 2.59 N ATOM 0 H LYS A 57 -1.309 -15.306 0.085 1.00 0.46 H new ATOM 0 HA LYS A 57 0.595 -15.465 -2.169 1.00 0.39 H new ATOM 0 HB2 LYS A 57 -1.441 -13.291 -1.729 1.00 0.41 H new ATOM 0 HB3 LYS A 57 -0.717 -13.839 -3.228 1.00 0.41 H new ATOM 0 HG2 LYS A 57 -2.757 -15.388 -1.588 1.00 0.56 H new ATOM 0 HG3 LYS A 57 -3.105 -14.471 -3.040 1.00 0.56 H new ATOM 0 HD2 LYS A 57 -1.285 -16.898 -2.857 1.00 0.89 H new ATOM 0 HD3 LYS A 57 -2.905 -16.875 -3.525 1.00 0.89 H new ATOM 0 HE2 LYS A 57 -2.148 -15.231 -5.249 1.00 1.84 H new ATOM 0 HE3 LYS A 57 -0.524 -15.317 -4.598 1.00 1.84 H new ATOM 0 HZ1 LYS A 57 -0.782 -16.759 -6.505 1.00 2.59 H new ATOM 0 HZ2 LYS A 57 -0.472 -17.685 -5.116 1.00 2.59 H new ATOM 0 HZ3 LYS A 57 -2.046 -17.600 -5.747 1.00 2.59 H new ATOM 847 N MET A 58 1.509 -13.014 -1.636 1.00 0.27 N ATOM 848 CA MET A 58 2.414 -11.999 -1.137 1.00 0.25 C ATOM 849 C MET A 58 2.179 -10.707 -1.897 1.00 0.23 C ATOM 850 O MET A 58 2.516 -10.607 -3.068 1.00 0.29 O ATOM 851 CB MET A 58 3.864 -12.448 -1.347 1.00 0.29 C ATOM 852 CG MET A 58 4.001 -13.846 -1.946 1.00 0.42 C ATOM 853 SD MET A 58 3.820 -15.162 -0.723 1.00 1.78 S ATOM 854 CE MET A 58 4.114 -16.608 -1.738 1.00 1.53 C ATOM 0 H MET A 58 1.417 -13.035 -2.652 1.00 0.27 H new ATOM 0 HA MET A 58 2.234 -11.845 -0.073 1.00 0.25 H new ATOM 0 HB2 MET A 58 4.364 -11.733 -2.001 1.00 0.29 H new ATOM 0 HB3 MET A 58 4.384 -12.422 -0.389 1.00 0.29 H new ATOM 0 HG2 MET A 58 3.250 -13.976 -2.725 1.00 0.42 H new ATOM 0 HG3 MET A 58 4.976 -13.935 -2.425 1.00 0.42 H new ATOM 0 HE1 MET A 58 4.037 -17.505 -1.124 1.00 1.53 H new ATOM 0 HE2 MET A 58 3.373 -16.649 -2.536 1.00 1.53 H new ATOM 0 HE3 MET A 58 5.112 -16.551 -2.173 1.00 1.53 H new ATOM 864 N MET A 59 1.612 -9.720 -1.236 1.00 0.20 N ATOM 865 CA MET A 59 1.248 -8.474 -1.900 1.00 0.21 C ATOM 866 C MET A 59 1.149 -7.329 -0.901 1.00 0.18 C ATOM 867 O MET A 59 0.668 -7.515 0.215 1.00 0.26 O ATOM 868 CB MET A 59 -0.073 -8.619 -2.676 1.00 0.27 C ATOM 869 CG MET A 59 0.052 -9.360 -4.001 1.00 0.64 C ATOM 870 SD MET A 59 -1.507 -9.509 -4.898 1.00 1.30 S ATOM 871 CE MET A 59 -2.281 -10.859 -4.014 1.00 0.62 C ATOM 0 H MET A 59 1.391 -9.750 -0.241 1.00 0.20 H new ATOM 0 HA MET A 59 2.039 -8.243 -2.613 1.00 0.21 H new ATOM 0 HB2 MET A 59 -0.793 -9.143 -2.048 1.00 0.27 H new ATOM 0 HB3 MET A 59 -0.479 -7.626 -2.866 1.00 0.27 H new ATOM 0 HG2 MET A 59 0.775 -8.841 -4.630 1.00 0.64 H new ATOM 0 HG3 MET A 59 0.450 -10.357 -3.813 1.00 0.64 H new ATOM 0 HE1 MET A 59 -2.422 -11.703 -4.689 1.00 0.62 H new ATOM 0 HE2 MET A 59 -1.644 -11.162 -3.183 1.00 0.62 H new ATOM 0 HE3 MET A 59 -3.249 -10.536 -3.631 1.00 0.62 H new ATOM 881 N LEU A 60 1.616 -6.158 -1.305 1.00 0.12 N ATOM 882 CA LEU A 60 1.478 -4.940 -0.497 1.00 0.10 C ATOM 883 C LEU A 60 0.487 -3.963 -1.138 1.00 0.10 C ATOM 884 O LEU A 60 0.212 -4.036 -2.335 1.00 0.13 O ATOM 885 CB LEU A 60 2.815 -4.216 -0.364 1.00 0.13 C ATOM 886 CG LEU A 60 3.550 -4.382 0.960 1.00 0.11 C ATOM 887 CD1 LEU A 60 4.342 -5.670 1.007 1.00 0.12 C ATOM 888 CD2 LEU A 60 4.473 -3.215 1.175 1.00 0.14 C ATOM 0 H LEU A 60 2.098 -6.017 -2.193 1.00 0.12 H new ATOM 0 HA LEU A 60 1.119 -5.254 0.483 1.00 0.10 H new ATOM 0 HB2 LEU A 60 3.471 -4.561 -1.164 1.00 0.13 H new ATOM 0 HB3 LEU A 60 2.644 -3.152 -0.528 1.00 0.13 H new ATOM 0 HG LEU A 60 2.803 -4.421 1.753 1.00 0.11 H new ATOM 0 HD11 LEU A 60 4.851 -5.749 1.968 1.00 0.12 H new ATOM 0 HD12 LEU A 60 3.667 -6.517 0.883 1.00 0.12 H new ATOM 0 HD13 LEU A 60 5.080 -5.673 0.204 1.00 0.12 H new ATOM 0 HD21 LEU A 60 4.998 -3.336 2.123 1.00 0.14 H new ATOM 0 HD22 LEU A 60 5.198 -3.170 0.362 1.00 0.14 H new ATOM 0 HD23 LEU A 60 3.894 -2.292 1.196 1.00 0.14 H new ATOM 900 N ARG A 61 -0.032 -3.039 -0.336 1.00 0.10 N ATOM 901 CA ARG A 61 -0.810 -1.912 -0.844 1.00 0.11 C ATOM 902 C ARG A 61 -0.732 -0.709 0.097 1.00 0.11 C ATOM 903 O ARG A 61 -1.210 -0.752 1.220 1.00 0.11 O ATOM 904 CB ARG A 61 -2.275 -2.271 -1.119 1.00 0.16 C ATOM 905 CG ARG A 61 -3.010 -1.129 -1.807 1.00 0.32 C ATOM 906 CD ARG A 61 -4.385 -1.528 -2.308 1.00 0.56 C ATOM 907 NE ARG A 61 -4.729 -0.810 -3.539 1.00 1.35 N ATOM 908 CZ ARG A 61 -5.883 -0.941 -4.196 1.00 1.67 C ATOM 909 NH1 ARG A 61 -6.839 -1.734 -3.733 1.00 1.46 N ATOM 910 NH2 ARG A 61 -6.077 -0.270 -5.323 1.00 2.72 N ATOM 0 H ARG A 61 0.073 -3.049 0.679 1.00 0.10 H new ATOM 0 HA ARG A 61 -0.357 -1.645 -1.799 1.00 0.11 H new ATOM 0 HB2 ARG A 61 -2.321 -3.163 -1.744 1.00 0.16 H new ATOM 0 HB3 ARG A 61 -2.774 -2.513 -0.180 1.00 0.16 H new ATOM 0 HG2 ARG A 61 -3.110 -0.296 -1.111 1.00 0.32 H new ATOM 0 HG3 ARG A 61 -2.413 -0.773 -2.646 1.00 0.32 H new ATOM 0 HD2 ARG A 61 -4.411 -2.602 -2.491 1.00 0.56 H new ATOM 0 HD3 ARG A 61 -5.130 -1.317 -1.541 1.00 0.56 H new ATOM 0 HE ARG A 61 -4.037 -0.165 -3.920 1.00 1.35 H new ATOM 0 HH11 ARG A 61 -6.697 -2.252 -2.866 1.00 1.46 H new ATOM 0 HH12 ARG A 61 -7.717 -1.826 -4.244 1.00 1.46 H new ATOM 0 HH21 ARG A 61 -5.346 0.343 -5.684 1.00 2.72 H new ATOM 0 HH22 ARG A 61 -6.957 -0.367 -5.829 1.00 2.72 H new ATOM 924 N LEU A 62 -0.131 0.365 -0.388 1.00 0.11 N ATOM 925 CA LEU A 62 0.031 1.596 0.378 1.00 0.11 C ATOM 926 C LEU A 62 -1.128 2.561 0.109 1.00 0.15 C ATOM 927 O LEU A 62 -1.245 3.117 -0.977 1.00 0.19 O ATOM 928 CB LEU A 62 1.383 2.230 0.024 1.00 0.12 C ATOM 929 CG LEU A 62 2.544 1.721 0.881 1.00 0.20 C ATOM 930 CD1 LEU A 62 3.886 1.935 0.208 1.00 0.90 C ATOM 931 CD2 LEU A 62 2.543 2.401 2.231 1.00 0.86 C ATOM 0 H LEU A 62 0.261 0.411 -1.328 1.00 0.11 H new ATOM 0 HA LEU A 62 0.016 1.368 1.444 1.00 0.11 H new ATOM 0 HB2 LEU A 62 1.603 2.032 -1.025 1.00 0.12 H new ATOM 0 HB3 LEU A 62 1.307 3.312 0.136 1.00 0.12 H new ATOM 0 HG LEU A 62 2.398 0.648 1.010 1.00 0.20 H new ATOM 0 HD11 LEU A 62 4.680 1.559 0.853 1.00 0.90 H new ATOM 0 HD12 LEU A 62 3.906 1.401 -0.742 1.00 0.90 H new ATOM 0 HD13 LEU A 62 4.038 2.999 0.029 1.00 0.90 H new ATOM 0 HD21 LEU A 62 3.375 2.027 2.827 1.00 0.86 H new ATOM 0 HD22 LEU A 62 2.648 3.478 2.096 1.00 0.86 H new ATOM 0 HD23 LEU A 62 1.605 2.189 2.744 1.00 0.86 H new ATOM 943 N ILE A 63 -1.976 2.750 1.112 1.00 0.17 N ATOM 944 CA ILE A 63 -3.173 3.578 0.999 1.00 0.23 C ATOM 945 C ILE A 63 -2.848 5.027 1.317 1.00 0.21 C ATOM 946 O ILE A 63 -2.312 5.317 2.376 1.00 0.25 O ATOM 947 CB ILE A 63 -4.255 3.138 2.013 1.00 0.30 C ATOM 948 CG1 ILE A 63 -4.218 1.626 2.240 1.00 0.30 C ATOM 949 CG2 ILE A 63 -5.641 3.583 1.557 1.00 0.40 C ATOM 950 CD1 ILE A 63 -4.496 0.819 1.005 1.00 0.33 C ATOM 0 H ILE A 63 -1.853 2.331 2.034 1.00 0.17 H new ATOM 0 HA ILE A 63 -3.536 3.467 -0.023 1.00 0.23 H new ATOM 0 HB ILE A 63 -4.037 3.624 2.964 1.00 0.30 H new ATOM 0 HG12 ILE A 63 -3.238 1.351 2.629 1.00 0.30 H new ATOM 0 HG13 ILE A 63 -4.949 1.365 3.005 1.00 0.30 H new ATOM 0 HG21 ILE A 63 -6.385 3.262 2.286 1.00 0.40 H new ATOM 0 HG22 ILE A 63 -5.664 4.669 1.470 1.00 0.40 H new ATOM 0 HG23 ILE A 63 -5.866 3.136 0.589 1.00 0.40 H new ATOM 0 HD11 ILE A 63 -4.452 -0.243 1.247 1.00 0.33 H new ATOM 0 HD12 ILE A 63 -5.488 1.064 0.626 1.00 0.33 H new ATOM 0 HD13 ILE A 63 -3.750 1.049 0.244 1.00 0.33 H new ATOM 962 N GLY A 64 -3.187 5.934 0.420 1.00 0.27 N ATOM 963 CA GLY A 64 -2.986 7.339 0.691 1.00 0.30 C ATOM 964 C GLY A 64 -4.177 7.928 1.409 1.00 0.35 C ATOM 965 O GLY A 64 -5.292 7.429 1.263 1.00 0.48 O ATOM 0 H GLY A 64 -3.597 5.724 -0.490 1.00 0.27 H new ATOM 0 HA2 GLY A 64 -2.090 7.471 1.297 1.00 0.30 H new ATOM 0 HA3 GLY A 64 -2.820 7.873 -0.244 1.00 0.30 H new ATOM 969 N LYS A 65 -3.950 8.970 2.198 1.00 0.30 N ATOM 970 CA LYS A 65 -5.038 9.632 2.902 1.00 0.33 C ATOM 971 C LYS A 65 -6.068 10.154 1.914 1.00 0.38 C ATOM 972 O LYS A 65 -5.720 10.724 0.877 1.00 0.41 O ATOM 973 CB LYS A 65 -4.533 10.797 3.758 1.00 0.34 C ATOM 974 CG LYS A 65 -4.100 10.413 5.170 1.00 0.36 C ATOM 975 CD LYS A 65 -2.681 9.887 5.237 1.00 0.40 C ATOM 976 CE LYS A 65 -2.119 10.041 6.643 1.00 0.43 C ATOM 977 NZ LYS A 65 -0.695 9.627 6.744 1.00 1.15 N ATOM 0 H LYS A 65 -3.028 9.372 2.365 1.00 0.30 H new ATOM 0 HA LYS A 65 -5.494 8.891 3.558 1.00 0.33 H new ATOM 0 HB2 LYS A 65 -3.690 11.265 3.249 1.00 0.34 H new ATOM 0 HB3 LYS A 65 -5.321 11.548 3.826 1.00 0.34 H new ATOM 0 HG2 LYS A 65 -4.189 11.284 5.820 1.00 0.36 H new ATOM 0 HG3 LYS A 65 -4.780 9.655 5.558 1.00 0.36 H new ATOM 0 HD2 LYS A 65 -2.662 8.837 4.945 1.00 0.40 H new ATOM 0 HD3 LYS A 65 -2.053 10.426 4.527 1.00 0.40 H new ATOM 0 HE2 LYS A 65 -2.213 11.081 6.955 1.00 0.43 H new ATOM 0 HE3 LYS A 65 -2.715 9.446 7.335 1.00 0.43 H new ATOM 0 HZ1 LYS A 65 -0.321 9.893 7.677 1.00 1.15 H new ATOM 0 HZ2 LYS A 65 -0.624 8.596 6.624 1.00 1.15 H new ATOM 0 HZ3 LYS A 65 -0.142 10.101 6.002 1.00 1.15 H new ATOM 991 N VAL A 66 -7.331 9.941 2.235 1.00 0.42 N ATOM 992 CA VAL A 66 -8.419 10.425 1.405 1.00 0.51 C ATOM 993 C VAL A 66 -8.533 11.937 1.537 1.00 0.57 C ATOM 994 O VAL A 66 -8.080 12.516 2.528 1.00 0.61 O ATOM 995 CB VAL A 66 -9.755 9.744 1.781 1.00 0.57 C ATOM 996 CG1 VAL A 66 -10.130 10.027 3.229 1.00 0.58 C ATOM 997 CG2 VAL A 66 -10.883 10.156 0.842 1.00 0.69 C ATOM 0 H VAL A 66 -7.629 9.434 3.068 1.00 0.42 H new ATOM 0 HA VAL A 66 -8.201 10.172 0.367 1.00 0.51 H new ATOM 0 HB VAL A 66 -9.609 8.670 1.671 1.00 0.57 H new ATOM 0 HG11 VAL A 66 -11.074 9.535 3.463 1.00 0.58 H new ATOM 0 HG12 VAL A 66 -9.349 9.647 3.888 1.00 0.58 H new ATOM 0 HG13 VAL A 66 -10.236 11.102 3.374 1.00 0.58 H new ATOM 0 HG21 VAL A 66 -11.805 9.656 1.139 1.00 0.69 H new ATOM 0 HG22 VAL A 66 -11.023 11.236 0.893 1.00 0.69 H new ATOM 0 HG23 VAL A 66 -10.629 9.871 -0.179 1.00 0.69 H new ATOM 1294 N GLN A 85 -7.551 6.691 -2.076 1.00 0.51 N ATOM 1295 CA GLN A 85 -6.785 6.105 -3.157 1.00 0.52 C ATOM 1296 C GLN A 85 -5.546 5.455 -2.581 1.00 0.43 C ATOM 1297 O GLN A 85 -5.071 5.824 -1.510 1.00 0.54 O ATOM 1298 CB GLN A 85 -6.436 7.154 -4.225 1.00 0.62 C ATOM 1299 CG GLN A 85 -5.184 7.953 -3.927 1.00 0.85 C ATOM 1300 CD GLN A 85 -5.268 8.735 -2.633 1.00 0.87 C ATOM 1301 OE1 GLN A 85 -6.339 9.189 -2.225 1.00 1.78 O ATOM 1302 NE2 GLN A 85 -4.138 8.881 -1.976 1.00 0.97 N ATOM 0 HA GLN A 85 -7.384 5.344 -3.657 1.00 0.52 H new ATOM 0 HB2 GLN A 85 -6.313 6.652 -5.184 1.00 0.62 H new ATOM 0 HB3 GLN A 85 -7.275 7.841 -4.331 1.00 0.62 H new ATOM 0 HG2 GLN A 85 -4.331 7.276 -3.880 1.00 0.85 H new ATOM 0 HG3 GLN A 85 -4.997 8.643 -4.750 1.00 0.85 H new ATOM 0 HE21 GLN A 85 -3.275 8.488 -2.352 1.00 0.97 H new ATOM 0 HE22 GLN A 85 -4.125 9.387 -1.091 1.00 0.97 H new ATOM 1311 N ARG A 86 -5.029 4.485 -3.286 1.00 0.31 N ATOM 1312 CA ARG A 86 -4.035 3.605 -2.718 1.00 0.27 C ATOM 1313 C ARG A 86 -3.176 2.958 -3.795 1.00 0.26 C ATOM 1314 O ARG A 86 -3.564 2.890 -4.960 1.00 0.40 O ATOM 1315 CB ARG A 86 -4.744 2.559 -1.862 1.00 0.36 C ATOM 1316 CG ARG A 86 -5.991 2.017 -2.529 1.00 0.72 C ATOM 1317 CD ARG A 86 -6.911 1.320 -1.561 1.00 0.54 C ATOM 1318 NE ARG A 86 -8.242 1.158 -2.138 1.00 1.21 N ATOM 1319 CZ ARG A 86 -9.077 0.156 -1.873 1.00 1.48 C ATOM 1320 NH1 ARG A 86 -8.728 -0.823 -1.048 1.00 1.48 N ATOM 1321 NH2 ARG A 86 -10.271 0.136 -2.450 1.00 2.29 N ATOM 0 H ARG A 86 -5.277 4.281 -4.254 1.00 0.31 H new ATOM 0 HA ARG A 86 -3.355 4.184 -2.094 1.00 0.27 H new ATOM 0 HB2 ARG A 86 -4.059 1.737 -1.656 1.00 0.36 H new ATOM 0 HB3 ARG A 86 -5.011 3.000 -0.902 1.00 0.36 H new ATOM 0 HG2 ARG A 86 -6.527 2.836 -3.008 1.00 0.72 H new ATOM 0 HG3 ARG A 86 -5.703 1.320 -3.317 1.00 0.72 H new ATOM 0 HD2 ARG A 86 -6.501 0.344 -1.301 1.00 0.54 H new ATOM 0 HD3 ARG A 86 -6.977 1.895 -0.637 1.00 0.54 H new ATOM 0 HE ARG A 86 -8.557 1.870 -2.797 1.00 1.21 H new ATOM 0 HH11 ARG A 86 -7.808 -0.815 -0.607 1.00 1.48 H new ATOM 0 HH12 ARG A 86 -9.379 -1.584 -0.855 1.00 1.48 H new ATOM 0 HH21 ARG A 86 -10.541 0.883 -3.089 1.00 2.29 H new ATOM 0 HH22 ARG A 86 -10.919 -0.627 -2.254 1.00 2.29 H new ATOM 1335 N HIS A 87 -2.012 2.480 -3.387 1.00 0.19 N ATOM 1336 CA HIS A 87 -1.008 1.977 -4.312 1.00 0.18 C ATOM 1337 C HIS A 87 -0.703 0.512 -4.008 1.00 0.15 C ATOM 1338 O HIS A 87 -0.109 0.203 -2.983 1.00 0.14 O ATOM 1339 CB HIS A 87 0.268 2.819 -4.155 1.00 0.21 C ATOM 1340 CG HIS A 87 0.008 4.297 -4.104 1.00 0.28 C ATOM 1341 ND1 HIS A 87 0.205 5.193 -3.109 1.00 0.41 N flip ATOM 1342 CD2 HIS A 87 -0.565 5.003 -5.138 1.00 0.36 C flip ATOM 1343 CE1 HIS A 87 -0.252 6.406 -3.553 1.00 0.50 C flip ATOM 1344 NE2 HIS A 87 -0.712 6.265 -4.780 1.00 0.47 N flip ATOM 0 H HIS A 87 -1.736 2.429 -2.406 1.00 0.19 H new ATOM 0 HA HIS A 87 -1.379 2.049 -5.334 1.00 0.18 H new ATOM 0 HB2 HIS A 87 0.783 2.517 -3.243 1.00 0.21 H new ATOM 0 HB3 HIS A 87 0.940 2.605 -4.986 1.00 0.21 H new ATOM 0 HD2 HIS A 87 -0.850 4.589 -6.094 1.00 0.36 H new ATOM 0 HE1 HIS A 87 -0.238 7.327 -2.990 1.00 0.50 H new ATOM 0 HE2 HIS A 87 -1.113 7.005 -5.355 1.00 0.47 H new ATOM 1353 N MET A 88 -1.090 -0.383 -4.903 1.00 0.16 N ATOM 1354 CA MET A 88 -0.908 -1.817 -4.675 1.00 0.15 C ATOM 1355 C MET A 88 0.196 -2.369 -5.555 1.00 0.20 C ATOM 1356 O MET A 88 0.170 -2.183 -6.773 1.00 0.30 O ATOM 1357 CB MET A 88 -2.202 -2.588 -4.962 1.00 0.20 C ATOM 1358 CG MET A 88 -2.081 -4.084 -4.701 1.00 0.23 C ATOM 1359 SD MET A 88 -3.516 -5.028 -5.263 1.00 0.32 S ATOM 1360 CE MET A 88 -4.813 -4.356 -4.227 1.00 0.42 C ATOM 0 H MET A 88 -1.531 -0.148 -5.792 1.00 0.16 H new ATOM 0 HA MET A 88 -0.636 -1.945 -3.627 1.00 0.15 H new ATOM 0 HB2 MET A 88 -3.003 -2.182 -4.345 1.00 0.20 H new ATOM 0 HB3 MET A 88 -2.489 -2.429 -6.002 1.00 0.20 H new ATOM 0 HG2 MET A 88 -1.189 -4.462 -5.200 1.00 0.23 H new ATOM 0 HG3 MET A 88 -1.942 -4.249 -3.633 1.00 0.23 H new ATOM 0 HE1 MET A 88 -5.719 -4.950 -4.347 1.00 0.42 H new ATOM 0 HE2 MET A 88 -4.497 -4.383 -3.184 1.00 0.42 H new ATOM 0 HE3 MET A 88 -5.014 -3.325 -4.518 1.00 0.42 H new ATOM 1370 N PHE A 89 1.165 -3.047 -4.952 1.00 0.18 N ATOM 1371 CA PHE A 89 2.189 -3.701 -5.721 1.00 0.28 C ATOM 1372 C PHE A 89 2.086 -5.200 -5.492 1.00 0.31 C ATOM 1373 O PHE A 89 1.736 -5.640 -4.395 1.00 0.43 O ATOM 1374 CB PHE A 89 3.562 -3.162 -5.327 1.00 0.34 C ATOM 1375 CG PHE A 89 3.670 -1.668 -5.471 1.00 0.57 C ATOM 1376 CD1 PHE A 89 3.155 -0.826 -4.500 1.00 0.93 C ATOM 1377 CD2 PHE A 89 4.284 -1.110 -6.573 1.00 0.81 C ATOM 1378 CE1 PHE A 89 3.249 0.549 -4.632 1.00 1.26 C ATOM 1379 CE2 PHE A 89 4.381 0.262 -6.710 1.00 1.17 C ATOM 1380 CZ PHE A 89 3.862 1.092 -5.739 1.00 1.33 C ATOM 0 H PHE A 89 1.254 -3.152 -3.941 1.00 0.18 H new ATOM 0 HA PHE A 89 2.054 -3.500 -6.784 1.00 0.28 H new ATOM 0 HB2 PHE A 89 3.772 -3.438 -4.294 1.00 0.34 H new ATOM 0 HB3 PHE A 89 4.324 -3.637 -5.945 1.00 0.34 H new ATOM 0 HD1 PHE A 89 2.674 -1.247 -3.629 1.00 0.93 H new ATOM 0 HD2 PHE A 89 4.694 -1.753 -7.338 1.00 0.81 H new ATOM 0 HE1 PHE A 89 2.842 1.195 -3.868 1.00 1.26 H new ATOM 0 HE2 PHE A 89 4.864 0.684 -7.579 1.00 1.17 H new ATOM 0 HZ PHE A 89 3.936 2.164 -5.846 1.00 1.33 H new ATOM 1390 N SER A 90 2.341 -5.981 -6.520 1.00 0.26 N ATOM 1391 CA SER A 90 2.255 -7.421 -6.399 1.00 0.26 C ATOM 1392 C SER A 90 3.639 -8.014 -6.198 1.00 0.23 C ATOM 1393 O SER A 90 4.545 -7.790 -6.997 1.00 0.24 O ATOM 1394 CB SER A 90 1.590 -8.025 -7.632 1.00 0.28 C ATOM 1395 OG SER A 90 0.364 -7.375 -7.923 1.00 0.94 O ATOM 0 H SER A 90 2.608 -5.645 -7.445 1.00 0.26 H new ATOM 0 HA SER A 90 1.643 -7.660 -5.529 1.00 0.26 H new ATOM 0 HB2 SER A 90 2.261 -7.942 -8.487 1.00 0.28 H new ATOM 0 HB3 SER A 90 1.411 -9.088 -7.468 1.00 0.28 H new ATOM 0 HG SER A 90 -0.040 -7.780 -8.718 1.00 0.94 H new ATOM 1401 N PHE A 91 3.801 -8.754 -5.119 1.00 0.21 N ATOM 1402 CA PHE A 91 5.094 -9.318 -4.767 1.00 0.21 C ATOM 1403 C PHE A 91 5.090 -10.828 -4.990 1.00 0.23 C ATOM 1404 O PHE A 91 4.036 -11.458 -5.032 1.00 0.28 O ATOM 1405 CB PHE A 91 5.418 -8.970 -3.306 1.00 0.30 C ATOM 1406 CG PHE A 91 5.429 -7.482 -3.048 1.00 0.63 C ATOM 1407 CD1 PHE A 91 4.273 -6.728 -3.106 1.00 0.99 C ATOM 1408 CD2 PHE A 91 6.607 -6.843 -2.722 1.00 0.91 C ATOM 1409 CE1 PHE A 91 4.304 -5.368 -2.843 1.00 1.29 C ATOM 1410 CE2 PHE A 91 6.638 -5.495 -2.463 1.00 1.20 C ATOM 1411 CZ PHE A 91 5.412 -4.737 -2.624 1.00 1.33 C ATOM 0 H PHE A 91 3.051 -8.981 -4.466 1.00 0.21 H new ATOM 0 HA PHE A 91 5.868 -8.892 -5.406 1.00 0.21 H new ATOM 0 HB2 PHE A 91 4.684 -9.442 -2.653 1.00 0.30 H new ATOM 0 HB3 PHE A 91 6.391 -9.387 -3.045 1.00 0.30 H new ATOM 0 HD1 PHE A 91 3.337 -7.203 -3.359 1.00 0.99 H new ATOM 0 HD2 PHE A 91 7.522 -7.414 -2.669 1.00 0.91 H new ATOM 0 HE1 PHE A 91 3.375 -4.818 -2.820 1.00 1.29 H new ATOM 0 HE2 PHE A 91 7.551 -5.012 -2.148 1.00 1.20 H new ATOM 0 HZ PHE A 91 5.424 -3.659 -2.562 1.00 1.33 H new ATOM 1421 N ASN A 92 6.266 -11.402 -5.167 1.00 0.31 N ATOM 1422 CA ASN A 92 6.373 -12.820 -5.487 1.00 0.39 C ATOM 1423 C ASN A 92 7.032 -13.590 -4.358 1.00 0.35 C ATOM 1424 O ASN A 92 7.111 -14.817 -4.392 1.00 0.42 O ATOM 1425 CB ASN A 92 7.164 -13.013 -6.782 1.00 0.51 C ATOM 1426 CG ASN A 92 6.385 -12.588 -8.011 1.00 0.80 C ATOM 1427 OD1 ASN A 92 5.161 -12.700 -8.055 1.00 1.53 O ATOM 1428 ND2 ASN A 92 7.083 -12.090 -9.019 1.00 1.27 N ATOM 0 H ASN A 92 7.159 -10.914 -5.096 1.00 0.31 H new ATOM 0 HA ASN A 92 5.364 -13.210 -5.622 1.00 0.39 H new ATOM 0 HB2 ASN A 92 8.089 -12.440 -6.727 1.00 0.51 H new ATOM 0 HB3 ASN A 92 7.444 -14.062 -6.879 1.00 0.51 H new ATOM 0 HD21 ASN A 92 6.606 -11.784 -9.867 1.00 1.27 H new ATOM 0 HD22 ASN A 92 8.097 -12.012 -8.947 1.00 1.27 H new ATOM 1435 N ASN A 93 7.510 -12.871 -3.358 1.00 0.30 N ATOM 1436 CA ASN A 93 8.176 -13.500 -2.232 1.00 0.32 C ATOM 1437 C ASN A 93 7.562 -13.019 -0.924 1.00 0.28 C ATOM 1438 O ASN A 93 7.491 -11.816 -0.655 1.00 0.23 O ATOM 1439 CB ASN A 93 9.674 -13.184 -2.272 1.00 0.37 C ATOM 1440 CG ASN A 93 10.486 -13.983 -1.262 1.00 0.44 C ATOM 1441 OD1 ASN A 93 9.998 -14.351 -0.196 1.00 0.71 O ATOM 1442 ND2 ASN A 93 11.739 -14.244 -1.588 1.00 0.83 N ATOM 0 H ASN A 93 7.450 -11.854 -3.303 1.00 0.30 H new ATOM 0 HA ASN A 93 8.045 -14.580 -2.297 1.00 0.32 H new ATOM 0 HB2 ASN A 93 10.054 -13.385 -3.274 1.00 0.37 H new ATOM 0 HB3 ASN A 93 9.819 -12.120 -2.084 1.00 0.37 H new ATOM 0 HD21 ASN A 93 12.335 -14.767 -0.946 1.00 0.83 H new ATOM 0 HD22 ASN A 93 12.111 -13.923 -2.482 1.00 0.83 H new ATOM 1449 N ARG A 94 7.114 -13.984 -0.126 1.00 0.34 N ATOM 1450 CA ARG A 94 6.502 -13.723 1.172 1.00 0.37 C ATOM 1451 C ARG A 94 7.441 -12.940 2.074 1.00 0.30 C ATOM 1452 O ARG A 94 7.014 -12.069 2.823 1.00 0.27 O ATOM 1453 CB ARG A 94 6.135 -15.052 1.837 1.00 0.57 C ATOM 1454 CG ARG A 94 5.636 -14.920 3.259 1.00 0.90 C ATOM 1455 CD ARG A 94 4.318 -14.199 3.290 1.00 0.71 C ATOM 1456 NE ARG A 94 3.804 -14.037 4.644 1.00 0.99 N ATOM 1457 CZ ARG A 94 2.933 -13.099 4.991 1.00 1.35 C ATOM 1458 NH1 ARG A 94 2.519 -12.221 4.089 1.00 2.16 N ATOM 1459 NH2 ARG A 94 2.489 -13.028 6.238 1.00 1.70 N ATOM 0 H ARG A 94 7.166 -14.975 -0.364 1.00 0.34 H new ATOM 0 HA ARG A 94 5.604 -13.125 1.016 1.00 0.37 H new ATOM 0 HB2 ARG A 94 5.368 -15.544 1.239 1.00 0.57 H new ATOM 0 HB3 ARG A 94 7.010 -15.702 1.830 1.00 0.57 H new ATOM 0 HG2 ARG A 94 5.527 -15.908 3.706 1.00 0.90 H new ATOM 0 HG3 ARG A 94 6.368 -14.378 3.858 1.00 0.90 H new ATOM 0 HD2 ARG A 94 4.433 -13.218 2.828 1.00 0.71 H new ATOM 0 HD3 ARG A 94 3.592 -14.750 2.692 1.00 0.71 H new ATOM 0 HE ARG A 94 4.132 -14.680 5.364 1.00 0.99 H new ATOM 0 HH11 ARG A 94 2.870 -12.268 3.133 1.00 2.16 H new ATOM 0 HH12 ARG A 94 1.849 -11.498 4.351 1.00 2.16 H new ATOM 0 HH21 ARG A 94 2.817 -13.696 6.935 1.00 1.70 H new ATOM 0 HH22 ARG A 94 1.819 -12.305 6.500 1.00 1.70 H new ATOM 1473 N THR A 95 8.719 -13.247 1.973 1.00 0.30 N ATOM 1474 CA THR A 95 9.722 -12.642 2.819 1.00 0.27 C ATOM 1475 C THR A 95 9.989 -11.201 2.398 1.00 0.21 C ATOM 1476 O THR A 95 9.880 -10.286 3.205 1.00 0.18 O ATOM 1477 CB THR A 95 11.026 -13.451 2.771 1.00 0.32 C ATOM 1478 OG1 THR A 95 10.778 -14.801 3.195 1.00 0.40 O ATOM 1479 CG2 THR A 95 12.077 -12.812 3.655 1.00 0.32 C ATOM 0 H THR A 95 9.088 -13.922 1.303 1.00 0.30 H new ATOM 0 HA THR A 95 9.344 -12.641 3.841 1.00 0.27 H new ATOM 0 HB THR A 95 11.396 -13.461 1.746 1.00 0.32 H new ATOM 0 HG1 THR A 95 11.613 -15.313 3.161 1.00 0.40 H new ATOM 0 HG21 THR A 95 12.995 -13.398 3.610 1.00 0.32 H new ATOM 0 HG22 THR A 95 12.276 -11.798 3.309 1.00 0.32 H new ATOM 0 HG23 THR A 95 11.717 -12.780 4.683 1.00 0.32 H new ATOM 1487 N VAL A 96 10.337 -11.017 1.128 1.00 0.23 N ATOM 1488 CA VAL A 96 10.531 -9.687 0.549 1.00 0.21 C ATOM 1489 C VAL A 96 9.401 -8.749 0.929 1.00 0.19 C ATOM 1490 O VAL A 96 9.637 -7.683 1.484 1.00 0.19 O ATOM 1491 CB VAL A 96 10.594 -9.745 -0.989 1.00 0.25 C ATOM 1492 CG1 VAL A 96 10.727 -8.346 -1.574 1.00 0.28 C ATOM 1493 CG2 VAL A 96 11.746 -10.623 -1.445 1.00 0.29 C ATOM 0 H VAL A 96 10.493 -11.782 0.471 1.00 0.23 H new ATOM 0 HA VAL A 96 11.476 -9.316 0.947 1.00 0.21 H new ATOM 0 HB VAL A 96 9.664 -10.182 -1.352 1.00 0.25 H new ATOM 0 HG11 VAL A 96 10.770 -8.409 -2.661 1.00 0.28 H new ATOM 0 HG12 VAL A 96 9.867 -7.745 -1.279 1.00 0.28 H new ATOM 0 HG13 VAL A 96 11.640 -7.881 -1.201 1.00 0.28 H new ATOM 0 HG21 VAL A 96 11.773 -10.651 -2.534 1.00 0.29 H new ATOM 0 HG22 VAL A 96 12.685 -10.216 -1.069 1.00 0.29 H new ATOM 0 HG23 VAL A 96 11.608 -11.633 -1.060 1.00 0.29 H new ATOM 1503 N MET A 97 8.174 -9.152 0.638 1.00 0.19 N ATOM 1504 CA MET A 97 7.029 -8.306 0.909 1.00 0.19 C ATOM 1505 C MET A 97 6.832 -8.126 2.409 1.00 0.17 C ATOM 1506 O MET A 97 6.336 -7.096 2.853 1.00 0.19 O ATOM 1507 CB MET A 97 5.782 -8.878 0.239 1.00 0.21 C ATOM 1508 CG MET A 97 5.180 -10.100 0.916 1.00 0.22 C ATOM 1509 SD MET A 97 3.538 -9.798 1.595 1.00 0.29 S ATOM 1510 CE MET A 97 3.920 -9.237 3.245 1.00 0.17 C ATOM 0 H MET A 97 7.949 -10.054 0.217 1.00 0.19 H new ATOM 0 HA MET A 97 7.212 -7.318 0.487 1.00 0.19 H new ATOM 0 HB2 MET A 97 5.023 -8.097 0.195 1.00 0.21 H new ATOM 0 HB3 MET A 97 6.030 -9.139 -0.790 1.00 0.21 H new ATOM 0 HG2 MET A 97 5.124 -10.916 0.195 1.00 0.22 H new ATOM 0 HG3 MET A 97 5.843 -10.427 1.717 1.00 0.22 H new ATOM 0 HE1 MET A 97 3.032 -9.320 3.872 1.00 0.17 H new ATOM 0 HE2 MET A 97 4.718 -9.851 3.663 1.00 0.17 H new ATOM 0 HE3 MET A 97 4.244 -8.197 3.210 1.00 0.17 H new ATOM 1520 N ASP A 98 7.253 -9.115 3.193 1.00 0.16 N ATOM 1521 CA ASP A 98 7.171 -9.014 4.647 1.00 0.16 C ATOM 1522 C ASP A 98 8.162 -7.968 5.128 1.00 0.15 C ATOM 1523 O ASP A 98 7.917 -7.244 6.091 1.00 0.22 O ATOM 1524 CB ASP A 98 7.464 -10.369 5.293 1.00 0.21 C ATOM 1525 CG ASP A 98 7.418 -10.327 6.805 1.00 0.30 C ATOM 1526 OD1 ASP A 98 6.351 -10.001 7.365 1.00 0.38 O ATOM 1527 OD2 ASP A 98 8.444 -10.642 7.442 1.00 0.39 O ATOM 0 H ASP A 98 7.651 -9.989 2.849 1.00 0.16 H new ATOM 0 HA ASP A 98 6.163 -8.715 4.935 1.00 0.16 H new ATOM 0 HB2 ASP A 98 6.740 -11.101 4.933 1.00 0.21 H new ATOM 0 HB3 ASP A 98 8.449 -10.712 4.975 1.00 0.21 H new ATOM 1532 N ASN A 99 9.257 -7.870 4.394 1.00 0.12 N ATOM 1533 CA ASN A 99 10.321 -6.919 4.681 1.00 0.13 C ATOM 1534 C ASN A 99 9.912 -5.535 4.210 1.00 0.15 C ATOM 1535 O ASN A 99 10.051 -4.547 4.926 1.00 0.24 O ATOM 1536 CB ASN A 99 11.600 -7.348 3.957 1.00 0.22 C ATOM 1537 CG ASN A 99 12.192 -8.626 4.506 1.00 0.71 C ATOM 1538 OD1 ASN A 99 12.663 -9.487 3.616 1.00 1.55 O flip ATOM 1539 ND2 ASN A 99 12.189 -8.862 5.717 1.00 0.50 N flip ATOM 0 H ASN A 99 9.436 -8.452 3.576 1.00 0.12 H new ATOM 0 HA ASN A 99 10.502 -6.895 5.756 1.00 0.13 H new ATOM 0 HB2 ASN A 99 11.383 -7.481 2.897 1.00 0.22 H new ATOM 0 HB3 ASN A 99 12.339 -6.550 4.034 1.00 0.22 H new ATOM 0 HD21 ASN A 99 11.817 -8.172 6.370 1.00 0.50 H new ATOM 0 HD22 ASN A 99 12.558 -9.747 6.065 1.00 0.50 H new ATOM 1546 N ILE A 100 9.391 -5.487 2.997 1.00 0.12 N ATOM 1547 CA ILE A 100 8.907 -4.251 2.403 1.00 0.12 C ATOM 1548 C ILE A 100 7.816 -3.639 3.268 1.00 0.11 C ATOM 1549 O ILE A 100 7.886 -2.465 3.636 1.00 0.13 O ATOM 1550 CB ILE A 100 8.352 -4.510 0.986 1.00 0.11 C ATOM 1551 CG1 ILE A 100 9.475 -4.938 0.050 1.00 0.13 C ATOM 1552 CG2 ILE A 100 7.672 -3.271 0.434 1.00 0.12 C ATOM 1553 CD1 ILE A 100 10.523 -3.869 -0.130 1.00 0.11 C ATOM 0 H ILE A 100 9.291 -6.304 2.394 1.00 0.12 H new ATOM 0 HA ILE A 100 9.745 -3.558 2.336 1.00 0.12 H new ATOM 0 HB ILE A 100 7.615 -5.310 1.055 1.00 0.11 H new ATOM 0 HG12 ILE A 100 9.945 -5.840 0.442 1.00 0.13 H new ATOM 0 HG13 ILE A 100 9.054 -5.195 -0.922 1.00 0.13 H new ATOM 0 HG21 ILE A 100 7.290 -3.480 -0.565 1.00 0.12 H new ATOM 0 HG22 ILE A 100 6.846 -2.988 1.086 1.00 0.12 H new ATOM 0 HG23 ILE A 100 8.391 -2.453 0.384 1.00 0.12 H new ATOM 0 HD11 ILE A 100 11.298 -4.229 -0.807 1.00 0.11 H new ATOM 0 HD12 ILE A 100 10.062 -2.975 -0.550 1.00 0.11 H new ATOM 0 HD13 ILE A 100 10.968 -3.629 0.836 1.00 0.11 H new ATOM 1565 N LYS A 101 6.819 -4.450 3.604 1.00 0.11 N ATOM 1566 CA LYS A 101 5.733 -4.010 4.459 1.00 0.12 C ATOM 1567 C LYS A 101 6.277 -3.500 5.792 1.00 0.11 C ATOM 1568 O LYS A 101 5.971 -2.386 6.200 1.00 0.14 O ATOM 1569 CB LYS A 101 4.733 -5.154 4.693 1.00 0.18 C ATOM 1570 CG LYS A 101 3.852 -4.979 5.923 1.00 0.89 C ATOM 1571 CD LYS A 101 3.705 -6.282 6.703 1.00 0.75 C ATOM 1572 CE LYS A 101 4.968 -6.611 7.492 1.00 0.42 C ATOM 1573 NZ LYS A 101 4.863 -7.910 8.209 1.00 1.11 N ATOM 0 H LYS A 101 6.744 -5.419 3.294 1.00 0.11 H new ATOM 0 HA LYS A 101 5.212 -3.193 3.960 1.00 0.12 H new ATOM 0 HB2 LYS A 101 4.095 -5.247 3.814 1.00 0.18 H new ATOM 0 HB3 LYS A 101 5.285 -6.089 4.787 1.00 0.18 H new ATOM 0 HG2 LYS A 101 4.280 -4.214 6.571 1.00 0.89 H new ATOM 0 HG3 LYS A 101 2.867 -4.625 5.618 1.00 0.89 H new ATOM 0 HD2 LYS A 101 2.859 -6.204 7.386 1.00 0.75 H new ATOM 0 HD3 LYS A 101 3.484 -7.096 6.013 1.00 0.75 H new ATOM 0 HE2 LYS A 101 5.820 -6.641 6.813 1.00 0.42 H new ATOM 0 HE3 LYS A 101 5.162 -5.816 8.212 1.00 0.42 H new ATOM 0 HZ1 LYS A 101 4.955 -7.750 9.232 1.00 1.11 H new ATOM 0 HZ2 LYS A 101 3.939 -8.344 8.008 1.00 1.11 H new ATOM 0 HZ3 LYS A 101 5.621 -8.546 7.888 1.00 1.11 H new ATOM 1587 N MET A 102 7.116 -4.305 6.446 1.00 0.09 N ATOM 1588 CA MET A 102 7.618 -3.964 7.777 1.00 0.09 C ATOM 1589 C MET A 102 8.489 -2.713 7.721 1.00 0.09 C ATOM 1590 O MET A 102 8.622 -1.992 8.707 1.00 0.12 O ATOM 1591 CB MET A 102 8.385 -5.148 8.391 1.00 0.10 C ATOM 1592 CG MET A 102 9.786 -5.367 7.839 1.00 0.16 C ATOM 1593 SD MET A 102 11.040 -4.353 8.645 1.00 0.88 S ATOM 1594 CE MET A 102 10.926 -4.969 10.321 1.00 1.17 C ATOM 0 H MET A 102 7.460 -5.192 6.078 1.00 0.09 H new ATOM 0 HA MET A 102 6.765 -3.750 8.420 1.00 0.09 H new ATOM 0 HB2 MET A 102 8.456 -4.995 9.468 1.00 0.10 H new ATOM 0 HB3 MET A 102 7.804 -6.057 8.235 1.00 0.10 H new ATOM 0 HG2 MET A 102 10.052 -6.418 7.951 1.00 0.16 H new ATOM 0 HG3 MET A 102 9.786 -5.150 6.771 1.00 0.16 H new ATOM 0 HE1 MET A 102 11.928 -5.152 10.710 1.00 1.17 H new ATOM 0 HE2 MET A 102 10.423 -4.232 10.946 1.00 1.17 H new ATOM 0 HE3 MET A 102 10.358 -5.899 10.329 1.00 1.17 H new ATOM 1604 N THR A 103 9.068 -2.457 6.557 1.00 0.08 N ATOM 1605 CA THR A 103 9.836 -1.252 6.330 1.00 0.08 C ATOM 1606 C THR A 103 8.929 -0.035 6.390 1.00 0.08 C ATOM 1607 O THR A 103 9.187 0.924 7.120 1.00 0.09 O ATOM 1608 CB THR A 103 10.516 -1.298 4.951 1.00 0.10 C ATOM 1609 OG1 THR A 103 11.522 -2.318 4.924 1.00 0.15 O ATOM 1610 CG2 THR A 103 11.130 0.035 4.601 1.00 0.11 C ATOM 0 H THR A 103 9.016 -3.078 5.750 1.00 0.08 H new ATOM 0 HA THR A 103 10.597 -1.184 7.107 1.00 0.08 H new ATOM 0 HB THR A 103 9.751 -1.529 4.210 1.00 0.10 H new ATOM 0 HG1 THR A 103 12.404 -1.911 5.050 1.00 0.15 H new ATOM 0 HG21 THR A 103 11.603 -0.028 3.621 1.00 0.11 H new ATOM 0 HG22 THR A 103 10.353 0.799 4.580 1.00 0.11 H new ATOM 0 HG23 THR A 103 11.878 0.299 5.349 1.00 0.11 H new ATOM 1618 N LEU A 104 7.855 -0.104 5.624 1.00 0.08 N ATOM 1619 CA LEU A 104 6.936 1.006 5.493 1.00 0.09 C ATOM 1620 C LEU A 104 6.159 1.219 6.775 1.00 0.11 C ATOM 1621 O LEU A 104 6.160 2.311 7.316 1.00 0.13 O ATOM 1622 CB LEU A 104 5.970 0.745 4.341 1.00 0.09 C ATOM 1623 CG LEU A 104 6.607 0.484 2.976 1.00 0.09 C ATOM 1624 CD1 LEU A 104 5.708 -0.380 2.127 1.00 0.11 C ATOM 1625 CD2 LEU A 104 6.877 1.774 2.256 1.00 0.11 C ATOM 0 H LEU A 104 7.599 -0.927 5.079 1.00 0.08 H new ATOM 0 HA LEU A 104 7.514 1.907 5.287 1.00 0.09 H new ATOM 0 HB2 LEU A 104 5.350 -0.113 4.600 1.00 0.09 H new ATOM 0 HB3 LEU A 104 5.304 1.603 4.251 1.00 0.09 H new ATOM 0 HG LEU A 104 7.551 -0.034 3.145 1.00 0.09 H new ATOM 0 HD11 LEU A 104 6.179 -0.554 1.160 1.00 0.11 H new ATOM 0 HD12 LEU A 104 5.542 -1.334 2.627 1.00 0.11 H new ATOM 0 HD13 LEU A 104 4.752 0.123 1.980 1.00 0.11 H new ATOM 0 HD21 LEU A 104 7.330 1.562 1.288 1.00 0.11 H new ATOM 0 HD22 LEU A 104 5.940 2.311 2.109 1.00 0.11 H new ATOM 0 HD23 LEU A 104 7.557 2.386 2.849 1.00 0.11 H new ATOM 1637 N GLN A 105 5.483 0.175 7.229 1.00 0.12 N ATOM 1638 CA GLN A 105 4.717 0.200 8.487 1.00 0.18 C ATOM 1639 C GLN A 105 5.467 0.896 9.618 1.00 0.18 C ATOM 1640 O GLN A 105 4.862 1.591 10.434 1.00 0.22 O ATOM 1641 CB GLN A 105 4.374 -1.203 8.935 1.00 0.28 C ATOM 1642 CG GLN A 105 3.603 -1.979 7.901 1.00 0.39 C ATOM 1643 CD GLN A 105 2.187 -1.490 7.671 1.00 0.64 C ATOM 1644 OE1 GLN A 105 1.857 -0.328 7.898 1.00 1.45 O ATOM 1645 NE2 GLN A 105 1.353 -2.382 7.155 1.00 0.99 N ATOM 0 H GLN A 105 5.444 -0.720 6.742 1.00 0.12 H new ATOM 0 HA GLN A 105 3.809 0.765 8.274 1.00 0.18 H new ATOM 0 HB2 GLN A 105 5.294 -1.738 9.171 1.00 0.28 H new ATOM 0 HB3 GLN A 105 3.790 -1.152 9.854 1.00 0.28 H new ATOM 0 HG2 GLN A 105 4.145 -1.938 6.956 1.00 0.39 H new ATOM 0 HG3 GLN A 105 3.567 -3.026 8.203 1.00 0.39 H new ATOM 0 HE21 GLN A 105 1.669 -3.336 6.983 1.00 0.99 H new ATOM 0 HE22 GLN A 105 0.395 -2.114 6.930 1.00 0.99 H new ATOM 1654 N GLN A 106 6.787 0.721 9.656 1.00 0.17 N ATOM 1655 CA GLN A 106 7.606 1.309 10.701 1.00 0.20 C ATOM 1656 C GLN A 106 7.571 2.819 10.587 1.00 0.20 C ATOM 1657 O GLN A 106 7.624 3.546 11.575 1.00 0.36 O ATOM 1658 CB GLN A 106 9.033 0.815 10.574 1.00 0.25 C ATOM 1659 CG GLN A 106 9.320 -0.478 11.312 1.00 0.30 C ATOM 1660 CD GLN A 106 10.776 -0.881 11.205 1.00 0.38 C ATOM 1661 OE1 GLN A 106 11.603 -0.499 12.033 1.00 0.65 O ATOM 1662 NE2 GLN A 106 11.103 -1.652 10.182 1.00 0.47 N ATOM 0 H GLN A 106 7.308 0.174 8.971 1.00 0.17 H new ATOM 0 HA GLN A 106 7.213 1.014 11.674 1.00 0.20 H new ATOM 0 HB2 GLN A 106 9.262 0.674 9.518 1.00 0.25 H new ATOM 0 HB3 GLN A 106 9.706 1.588 10.946 1.00 0.25 H new ATOM 0 HG2 GLN A 106 9.052 -0.363 12.362 1.00 0.30 H new ATOM 0 HG3 GLN A 106 8.693 -1.273 10.908 1.00 0.30 H new ATOM 0 HE21 GLN A 106 10.388 -1.948 9.517 1.00 0.47 H new ATOM 0 HE22 GLN A 106 12.070 -1.951 10.058 1.00 0.47 H new ATOM 1671 N ILE A 107 7.466 3.261 9.354 1.00 0.13 N ATOM 1672 CA ILE A 107 7.372 4.661 9.010 1.00 0.13 C ATOM 1673 C ILE A 107 5.951 5.159 9.227 1.00 0.14 C ATOM 1674 O ILE A 107 5.724 6.254 9.727 1.00 0.17 O ATOM 1675 CB ILE A 107 7.718 4.852 7.519 1.00 0.13 C ATOM 1676 CG1 ILE A 107 9.104 4.276 7.200 1.00 0.13 C ATOM 1677 CG2 ILE A 107 7.615 6.315 7.140 1.00 0.16 C ATOM 1678 CD1 ILE A 107 9.336 4.001 5.730 1.00 0.14 C ATOM 0 H ILE A 107 7.443 2.642 8.544 1.00 0.13 H new ATOM 0 HA ILE A 107 8.065 5.218 9.640 1.00 0.13 H new ATOM 0 HB ILE A 107 6.996 4.300 6.918 1.00 0.13 H new ATOM 0 HG12 ILE A 107 9.865 4.972 7.553 1.00 0.13 H new ATOM 0 HG13 ILE A 107 9.237 3.349 7.757 1.00 0.13 H new ATOM 0 HG21 ILE A 107 7.862 6.436 6.085 1.00 0.16 H new ATOM 0 HG22 ILE A 107 6.598 6.666 7.317 1.00 0.16 H new ATOM 0 HG23 ILE A 107 8.311 6.897 7.744 1.00 0.16 H new ATOM 0 HD11 ILE A 107 10.338 3.596 5.589 1.00 0.14 H new ATOM 0 HD12 ILE A 107 8.600 3.280 5.374 1.00 0.14 H new ATOM 0 HD13 ILE A 107 9.237 4.929 5.166 1.00 0.14 H new ATOM 1690 N ILE A 108 5.000 4.336 8.831 1.00 0.13 N ATOM 1691 CA ILE A 108 3.596 4.697 8.904 1.00 0.17 C ATOM 1692 C ILE A 108 3.146 4.831 10.349 1.00 0.23 C ATOM 1693 O ILE A 108 2.581 5.847 10.733 1.00 0.29 O ATOM 1694 CB ILE A 108 2.735 3.652 8.177 1.00 0.19 C ATOM 1695 CG1 ILE A 108 3.461 3.232 6.894 1.00 0.18 C ATOM 1696 CG2 ILE A 108 1.345 4.206 7.895 1.00 0.26 C ATOM 1697 CD1 ILE A 108 2.591 3.110 5.671 1.00 0.15 C ATOM 0 H ILE A 108 5.175 3.405 8.452 1.00 0.13 H new ATOM 0 HA ILE A 108 3.469 5.662 8.413 1.00 0.17 H new ATOM 0 HB ILE A 108 2.597 2.772 8.805 1.00 0.19 H new ATOM 0 HG12 ILE A 108 4.249 3.957 6.688 1.00 0.18 H new ATOM 0 HG13 ILE A 108 3.948 2.273 7.070 1.00 0.18 H new ATOM 0 HG21 ILE A 108 0.750 3.452 7.380 1.00 0.26 H new ATOM 0 HG22 ILE A 108 0.861 4.470 8.835 1.00 0.26 H new ATOM 0 HG23 ILE A 108 1.427 5.094 7.268 1.00 0.26 H new ATOM 0 HD11 ILE A 108 3.201 2.808 4.819 1.00 0.15 H new ATOM 0 HD12 ILE A 108 1.818 2.362 5.847 1.00 0.15 H new ATOM 0 HD13 ILE A 108 2.123 4.072 5.460 1.00 0.15 H new ATOM 1709 N SER A 109 3.425 3.812 11.152 1.00 0.28 N ATOM 1710 CA SER A 109 3.127 3.849 12.582 1.00 0.37 C ATOM 1711 C SER A 109 3.868 5.017 13.227 1.00 0.37 C ATOM 1712 O SER A 109 3.401 5.617 14.194 1.00 0.43 O ATOM 1713 CB SER A 109 3.526 2.525 13.244 1.00 0.45 C ATOM 1714 OG SER A 109 3.034 2.444 14.568 1.00 1.22 O ATOM 0 H SER A 109 3.859 2.945 10.837 1.00 0.28 H new ATOM 0 HA SER A 109 2.055 3.989 12.722 1.00 0.37 H new ATOM 0 HB2 SER A 109 3.138 1.692 12.658 1.00 0.45 H new ATOM 0 HB3 SER A 109 4.612 2.432 13.251 1.00 0.45 H new ATOM 0 HG SER A 109 3.302 1.589 14.965 1.00 1.22 H new ATOM 1720 N ARG A 110 5.005 5.356 12.635 1.00 0.33 N ATOM 1721 CA ARG A 110 5.812 6.478 13.062 1.00 0.35 C ATOM 1722 C ARG A 110 5.062 7.782 12.815 1.00 0.38 C ATOM 1723 O ARG A 110 5.160 8.728 13.594 1.00 0.48 O ATOM 1724 CB ARG A 110 7.133 6.442 12.289 1.00 0.34 C ATOM 1725 CG ARG A 110 7.670 7.779 11.868 1.00 1.27 C ATOM 1726 CD ARG A 110 8.945 7.583 11.084 1.00 1.25 C ATOM 1727 NE ARG A 110 9.502 8.827 10.564 1.00 2.39 N ATOM 1728 CZ ARG A 110 10.500 8.862 9.683 1.00 2.70 C ATOM 1729 NH1 ARG A 110 11.077 7.729 9.302 1.00 1.97 N ATOM 1730 NH2 ARG A 110 10.929 10.017 9.197 1.00 3.79 N ATOM 0 H ARG A 110 5.392 4.851 11.838 1.00 0.33 H new ATOM 0 HA ARG A 110 6.020 6.416 14.130 1.00 0.35 H new ATOM 0 HB2 ARG A 110 7.882 5.947 12.907 1.00 0.34 H new ATOM 0 HB3 ARG A 110 6.997 5.828 11.399 1.00 0.34 H new ATOM 0 HG2 ARG A 110 6.933 8.304 11.260 1.00 1.27 H new ATOM 0 HG3 ARG A 110 7.860 8.399 12.744 1.00 1.27 H new ATOM 0 HD2 ARG A 110 9.685 7.101 11.723 1.00 1.25 H new ATOM 0 HD3 ARG A 110 8.751 6.905 10.253 1.00 1.25 H new ATOM 0 HE ARG A 110 9.109 9.710 10.890 1.00 2.39 H new ATOM 0 HH11 ARG A 110 10.755 6.839 9.684 1.00 1.97 H new ATOM 0 HH12 ARG A 110 11.842 7.748 8.628 1.00 1.97 H new ATOM 0 HH21 ARG A 110 10.494 10.890 9.497 1.00 3.79 H new ATOM 0 HH22 ARG A 110 11.694 10.034 8.523 1.00 3.79 H new ATOM 1744 N TYR A 111 4.283 7.812 11.740 1.00 0.34 N ATOM 1745 CA TYR A 111 3.559 9.008 11.371 1.00 0.41 C ATOM 1746 C TYR A 111 2.136 8.991 11.920 1.00 0.49 C ATOM 1747 O TYR A 111 1.464 10.017 11.951 1.00 0.60 O ATOM 1748 CB TYR A 111 3.572 9.198 9.856 1.00 0.37 C ATOM 1749 CG TYR A 111 4.809 9.930 9.383 1.00 0.38 C ATOM 1750 CD1 TYR A 111 4.920 11.308 9.518 1.00 0.48 C ATOM 1751 CD2 TYR A 111 5.872 9.240 8.828 1.00 0.34 C ATOM 1752 CE1 TYR A 111 6.058 11.977 9.106 1.00 0.53 C ATOM 1753 CE2 TYR A 111 7.018 9.898 8.417 1.00 0.40 C ATOM 1754 CZ TYR A 111 7.105 11.267 8.557 1.00 0.48 C ATOM 1755 OH TYR A 111 8.245 11.930 8.156 1.00 0.55 O ATOM 0 H TYR A 111 4.141 7.020 11.114 1.00 0.34 H new ATOM 0 HA TYR A 111 4.066 9.861 11.822 1.00 0.41 H new ATOM 0 HB2 TYR A 111 3.519 8.224 9.369 1.00 0.37 H new ATOM 0 HB3 TYR A 111 2.685 9.754 9.554 1.00 0.37 H new ATOM 0 HD1 TYR A 111 4.104 11.866 9.952 1.00 0.48 H new ATOM 0 HD2 TYR A 111 5.806 8.168 8.713 1.00 0.34 H new ATOM 0 HE1 TYR A 111 6.126 13.049 9.214 1.00 0.53 H new ATOM 0 HE2 TYR A 111 7.839 9.342 7.989 1.00 0.40 H new ATOM 0 HH TYR A 111 8.887 11.286 7.792 1.00 0.55 H new ATOM 2059 N PHE B 261 -5.253 -7.858 2.069 1.00 0.48 N ATOM 2060 CA PHE B 261 -4.021 -7.484 2.747 1.00 0.48 C ATOM 2061 C PHE B 261 -4.356 -6.690 4.007 1.00 0.66 C ATOM 2062 O PHE B 261 -5.359 -5.981 4.041 1.00 0.95 O ATOM 2063 CB PHE B 261 -3.150 -6.623 1.822 1.00 0.50 C ATOM 2064 CG PHE B 261 -3.163 -7.030 0.376 1.00 0.46 C ATOM 2065 CD1 PHE B 261 -3.187 -8.362 0.005 1.00 0.44 C ATOM 2066 CD2 PHE B 261 -3.165 -6.067 -0.617 1.00 0.67 C ATOM 2067 CE1 PHE B 261 -3.215 -8.727 -1.322 1.00 0.51 C ATOM 2068 CE2 PHE B 261 -3.192 -6.426 -1.948 1.00 0.75 C ATOM 2069 CZ PHE B 261 -3.218 -7.756 -2.302 1.00 0.62 C ATOM 0 HA PHE B 261 -3.474 -8.388 3.014 1.00 0.48 H new ATOM 0 HB2 PHE B 261 -3.482 -5.587 1.895 1.00 0.50 H new ATOM 0 HB3 PHE B 261 -2.122 -6.654 2.183 1.00 0.50 H new ATOM 0 HD1 PHE B 261 -3.184 -9.127 0.767 1.00 0.44 H new ATOM 0 HD2 PHE B 261 -3.145 -5.022 -0.347 1.00 0.67 H new ATOM 0 HE1 PHE B 261 -3.235 -9.772 -1.595 1.00 0.51 H new ATOM 0 HE2 PHE B 261 -3.193 -5.664 -2.713 1.00 0.75 H new ATOM 0 HZ PHE B 261 -3.241 -8.039 -3.344 1.00 0.62 H new ATOM 2079 N VAL B 262 -3.517 -6.785 5.030 1.00 0.55 N ATOM 2080 CA VAL B 262 -3.789 -6.108 6.297 1.00 0.67 C ATOM 2081 C VAL B 262 -2.656 -5.162 6.690 1.00 0.54 C ATOM 2082 O VAL B 262 -1.540 -5.261 6.172 1.00 0.50 O ATOM 2083 CB VAL B 262 -4.009 -7.124 7.440 1.00 0.84 C ATOM 2084 CG1 VAL B 262 -5.231 -7.984 7.159 1.00 1.37 C ATOM 2085 CG2 VAL B 262 -2.775 -7.993 7.642 1.00 1.14 C ATOM 0 H VAL B 262 -2.648 -7.319 5.011 1.00 0.55 H new ATOM 0 HA VAL B 262 -4.699 -5.527 6.146 1.00 0.67 H new ATOM 0 HB VAL B 262 -4.182 -6.567 8.361 1.00 0.84 H new ATOM 0 HG11 VAL B 262 -5.371 -8.694 7.974 1.00 1.37 H new ATOM 0 HG12 VAL B 262 -6.112 -7.348 7.076 1.00 1.37 H new ATOM 0 HG13 VAL B 262 -5.087 -8.527 6.225 1.00 1.37 H new ATOM 0 HG21 VAL B 262 -2.956 -8.699 8.452 1.00 1.14 H new ATOM 0 HG22 VAL B 262 -2.561 -8.541 6.724 1.00 1.14 H new ATOM 0 HG23 VAL B 262 -1.923 -7.362 7.895 1.00 1.14 H new ATOM 2095 N GLU B 263 -2.961 -4.238 7.599 1.00 0.57 N ATOM 2096 CA GLU B 263 -1.968 -3.320 8.144 1.00 0.55 C ATOM 2097 C GLU B 263 -1.335 -3.935 9.385 1.00 0.56 C ATOM 2098 O GLU B 263 -2.040 -4.318 10.319 1.00 0.62 O ATOM 2099 CB GLU B 263 -2.616 -1.979 8.516 1.00 0.73 C ATOM 2100 CG GLU B 263 -1.627 -0.937 9.029 1.00 1.21 C ATOM 2101 CD GLU B 263 -2.288 0.148 9.861 1.00 1.73 C ATOM 2102 OE1 GLU B 263 -3.002 -0.183 10.830 1.00 2.24 O ATOM 2103 OE2 GLU B 263 -2.093 1.343 9.548 1.00 2.20 O ATOM 0 H GLU B 263 -3.900 -4.106 7.976 1.00 0.57 H new ATOM 0 HA GLU B 263 -1.205 -3.143 7.386 1.00 0.55 H new ATOM 0 HB2 GLU B 263 -3.129 -1.579 7.641 1.00 0.73 H new ATOM 0 HB3 GLU B 263 -3.375 -2.152 9.279 1.00 0.73 H new ATOM 0 HG2 GLU B 263 -0.863 -1.433 9.629 1.00 1.21 H new ATOM 0 HG3 GLU B 263 -1.118 -0.478 8.181 1.00 1.21 H new