USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=24 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 102 MET CE :methyl 154:sc= -0.219 (180deg=-0.916) USER MOD Set 1.2: A 106 GLN : amide:sc= 0.453 X(o=0.23,f=-0.23) USER MOD Single : A 3 HIS : no HD1:sc= 0.944 K(o=0.94,f=-5.7!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 40:sc= 0.016 USER MOD Single : A 19 ASN : amide:sc= -2.75! C(o=-2.7!,f=-2.7!) USER MOD Single : A 23 SER OG : rot 180:sc= 0.0281 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -65:sc= 0.489 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0209 USER MOD Single : A 36 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0459) 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= -0.105 USER MOD Single : A 43 SER OG : rot -94:sc= -1.19! USER MOD Single : A 44 THR OG1 : rot -15:sc= 0.27 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.15! C(o=-2.1!,f=-3.6!) USER MOD Single : A 51 THR OG1 : rot -18:sc= -1.76! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 150:sc= 0.241 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 -159:sc= -0.196 (180deg=-0.852) USER MOD Single : A 65 LYS NZ :NH3+ -172:sc= -2.72! (180deg=-3.06!) USER MOD Single : A 85 GLN : amide:sc= -0.461 X(o=-0.46,f=-0.13) USER MOD Single : A 87 HIS : no HD1:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 88 MET CE :methyl -117:sc= -3.42! (180deg=-4.41!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.101 K(o=-0.1,f=-0.94) USER MOD Single : A 93 ASN : amide:sc= -0.519 K(o=-0.52,f=-11!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -162:sc= -2.61 (180deg=-4.76!) USER MOD Single : A 99 ASN : amide:sc= -5.83! C(o=-5.8!,f=-7.3!) USER MOD Single : A 101 LYS NZ :NH3+ -138:sc= 1.29 (180deg=0.43) USER MOD Single : A 103 THR OG1 : rot 82:sc= 1.23 USER MOD Single : A 105 GLN : amide:sc= -0.422 K(o=-0.42,f=-1.3) USER MOD Single : A 109 SER OG : rot 82:sc= 0.137 USER MOD Single : A 111 TYR OH : rot 165:sc= -0.463 USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 14.450 -2.461 2.883 1.00 0.35 N ATOM 29 CA HIS A 3 13.997 -1.217 2.269 1.00 0.24 C ATOM 30 C HIS A 3 13.977 -1.303 0.747 1.00 0.16 C ATOM 31 O HIS A 3 13.951 -0.282 0.069 1.00 0.19 O ATOM 32 CB HIS A 3 14.904 -0.051 2.682 1.00 0.32 C ATOM 33 CG HIS A 3 14.619 0.540 4.030 1.00 0.71 C ATOM 34 ND1 HIS A 3 14.934 -0.082 5.217 1.00 1.12 N ATOM 35 CD2 HIS A 3 14.059 1.727 4.369 1.00 1.43 C ATOM 36 CE1 HIS A 3 14.579 0.694 6.225 1.00 1.64 C ATOM 37 NE2 HIS A 3 14.046 1.798 5.738 1.00 1.85 N ATOM 0 HA HIS A 3 12.980 -1.047 2.622 1.00 0.24 H new ATOM 0 HB2 HIS A 3 15.938 -0.394 2.666 1.00 0.32 H new ATOM 0 HB3 HIS A 3 14.818 0.737 1.933 1.00 0.32 H new ATOM 0 HD2 HIS A 3 13.691 2.478 3.686 1.00 1.43 H new ATOM 0 HE1 HIS A 3 14.704 0.463 7.273 1.00 1.64 H new ATOM 0 HE2 HIS A 3 13.684 2.576 6.289 1.00 1.85 H new ATOM 46 N SER A 4 13.994 -2.503 0.212 1.00 0.14 N ATOM 47 CA SER A 4 13.957 -2.680 -1.230 1.00 0.13 C ATOM 48 C SER A 4 13.571 -4.111 -1.588 1.00 0.15 C ATOM 49 O SER A 4 13.842 -5.047 -0.832 1.00 0.24 O ATOM 50 CB SER A 4 15.306 -2.313 -1.847 1.00 0.17 C ATOM 51 OG SER A 4 16.337 -3.162 -1.358 1.00 0.95 O ATOM 0 H SER A 4 14.033 -3.370 0.747 1.00 0.14 H new ATOM 0 HA SER A 4 13.199 -2.013 -1.639 1.00 0.13 H new ATOM 0 HB2 SER A 4 15.248 -2.394 -2.932 1.00 0.17 H new ATOM 0 HB3 SER A 4 15.545 -1.275 -1.617 1.00 0.17 H new ATOM 0 HG SER A 4 17.191 -2.910 -1.768 1.00 0.95 H new ATOM 57 N GLY A 5 12.921 -4.265 -2.727 1.00 0.14 N ATOM 58 CA GLY A 5 12.499 -5.565 -3.197 1.00 0.15 C ATOM 59 C GLY A 5 11.692 -5.432 -4.465 1.00 0.15 C ATOM 60 O GLY A 5 10.997 -4.439 -4.647 1.00 0.16 O ATOM 0 H GLY A 5 12.673 -3.494 -3.347 1.00 0.14 H new ATOM 0 HA2 GLY A 5 13.371 -6.193 -3.378 1.00 0.15 H new ATOM 0 HA3 GLY A 5 11.903 -6.060 -2.430 1.00 0.15 H new ATOM 64 N ALA A 6 11.781 -6.404 -5.352 1.00 0.16 N ATOM 65 CA ALA A 6 11.113 -6.299 -6.641 1.00 0.17 C ATOM 66 C ALA A 6 9.603 -6.531 -6.506 1.00 0.21 C ATOM 67 O ALA A 6 9.171 -7.447 -5.802 1.00 0.43 O ATOM 68 CB ALA A 6 11.716 -7.273 -7.640 1.00 0.21 C ATOM 0 H ALA A 6 12.303 -7.269 -5.209 1.00 0.16 H new ATOM 0 HA ALA A 6 11.264 -5.285 -7.012 1.00 0.17 H new ATOM 0 HB1 ALA A 6 11.202 -7.178 -8.597 1.00 0.21 H new ATOM 0 HB2 ALA A 6 12.774 -7.049 -7.773 1.00 0.21 H new ATOM 0 HB3 ALA A 6 11.605 -8.291 -7.268 1.00 0.21 H new ATOM 74 N ALA A 7 8.805 -5.705 -7.184 1.00 0.11 N ATOM 75 CA ALA A 7 7.347 -5.828 -7.139 1.00 0.12 C ATOM 76 C ALA A 7 6.726 -5.557 -8.503 1.00 0.12 C ATOM 77 O ALA A 7 7.329 -4.927 -9.362 1.00 0.13 O ATOM 78 CB ALA A 7 6.744 -4.876 -6.115 1.00 0.12 C ATOM 0 H ALA A 7 9.144 -4.943 -7.771 1.00 0.11 H new ATOM 0 HA ALA A 7 7.125 -6.854 -6.845 1.00 0.12 H new ATOM 0 HB1 ALA A 7 5.660 -4.991 -6.105 1.00 0.12 H new ATOM 0 HB2 ALA A 7 7.142 -5.105 -5.127 1.00 0.12 H new ATOM 0 HB3 ALA A 7 6.997 -3.849 -6.379 1.00 0.12 H new ATOM 84 N ILE A 8 5.509 -6.026 -8.677 1.00 0.15 N ATOM 85 CA ILE A 8 4.766 -5.867 -9.914 1.00 0.19 C ATOM 86 C ILE A 8 3.690 -4.816 -9.717 1.00 0.22 C ATOM 87 O ILE A 8 2.890 -4.907 -8.791 1.00 0.26 O ATOM 88 CB ILE A 8 4.097 -7.200 -10.352 1.00 0.23 C ATOM 89 CG1 ILE A 8 5.125 -8.264 -10.774 1.00 0.26 C ATOM 90 CG2 ILE A 8 3.122 -6.951 -11.485 1.00 0.29 C ATOM 91 CD1 ILE A 8 5.954 -8.830 -9.640 1.00 0.25 C ATOM 0 H ILE A 8 4.999 -6.535 -7.955 1.00 0.15 H new ATOM 0 HA ILE A 8 5.465 -5.562 -10.693 1.00 0.19 H new ATOM 0 HB ILE A 8 3.563 -7.587 -9.484 1.00 0.23 H new ATOM 0 HG12 ILE A 8 4.599 -9.083 -11.265 1.00 0.26 H new ATOM 0 HG13 ILE A 8 5.796 -7.827 -11.514 1.00 0.26 H new ATOM 0 HG21 ILE A 8 2.661 -7.893 -11.782 1.00 0.29 H new ATOM 0 HG22 ILE A 8 2.349 -6.257 -11.154 1.00 0.29 H new ATOM 0 HG23 ILE A 8 3.654 -6.524 -12.335 1.00 0.29 H new ATOM 0 HD11 ILE A 8 6.650 -9.571 -10.033 1.00 0.25 H new ATOM 0 HD12 ILE A 8 6.513 -8.026 -9.161 1.00 0.25 H new ATOM 0 HD13 ILE A 8 5.297 -9.301 -8.909 1.00 0.25 H new ATOM 103 N PHE A 9 3.668 -3.821 -10.576 1.00 0.28 N ATOM 104 CA PHE A 9 2.700 -2.756 -10.447 1.00 0.34 C ATOM 105 C PHE A 9 1.778 -2.733 -11.655 1.00 0.46 C ATOM 106 O PHE A 9 2.155 -2.254 -12.714 1.00 0.52 O ATOM 107 CB PHE A 9 3.421 -1.417 -10.288 1.00 0.35 C ATOM 108 CG PHE A 9 2.514 -0.225 -10.164 1.00 0.40 C ATOM 109 CD1 PHE A 9 1.844 0.036 -8.981 1.00 0.40 C ATOM 110 CD2 PHE A 9 2.345 0.644 -11.230 1.00 0.50 C ATOM 111 CE1 PHE A 9 1.024 1.140 -8.863 1.00 0.45 C ATOM 112 CE2 PHE A 9 1.523 1.748 -11.118 1.00 0.56 C ATOM 113 CZ PHE A 9 0.862 1.996 -9.932 1.00 0.52 C ATOM 0 H PHE A 9 4.306 -3.728 -11.367 1.00 0.28 H new ATOM 0 HA PHE A 9 2.092 -2.931 -9.560 1.00 0.34 H new ATOM 0 HB2 PHE A 9 4.057 -1.465 -9.404 1.00 0.35 H new ATOM 0 HB3 PHE A 9 4.077 -1.269 -11.146 1.00 0.35 H new ATOM 0 HD1 PHE A 9 1.964 -0.632 -8.141 1.00 0.40 H new ATOM 0 HD2 PHE A 9 2.862 0.456 -12.159 1.00 0.50 H new ATOM 0 HE1 PHE A 9 0.509 1.333 -7.933 1.00 0.45 H new ATOM 0 HE2 PHE A 9 1.398 2.416 -11.957 1.00 0.56 H new ATOM 0 HZ PHE A 9 0.219 2.859 -9.841 1.00 0.52 H new ATOM 123 N GLU A 10 0.573 -3.262 -11.487 1.00 0.58 N ATOM 124 CA GLU A 10 -0.409 -3.320 -12.568 1.00 0.73 C ATOM 125 C GLU A 10 0.123 -4.140 -13.733 1.00 0.64 C ATOM 126 O GLU A 10 0.164 -3.676 -14.874 1.00 0.67 O ATOM 127 CB GLU A 10 -0.785 -1.922 -13.045 1.00 0.87 C ATOM 128 CG GLU A 10 -1.291 -1.024 -11.935 1.00 0.98 C ATOM 129 CD GLU A 10 -1.914 0.253 -12.460 1.00 1.21 C ATOM 130 OE1 GLU A 10 -1.199 1.055 -13.097 1.00 1.25 O ATOM 131 OE2 GLU A 10 -3.128 0.458 -12.237 1.00 1.46 O ATOM 0 H GLU A 10 0.248 -3.661 -10.606 1.00 0.58 H new ATOM 0 HA GLU A 10 -1.304 -3.802 -12.176 1.00 0.73 H new ATOM 0 HB2 GLU A 10 0.085 -1.458 -13.509 1.00 0.87 H new ATOM 0 HB3 GLU A 10 -1.552 -2.003 -13.815 1.00 0.87 H new ATOM 0 HG2 GLU A 10 -2.027 -1.566 -11.341 1.00 0.98 H new ATOM 0 HG3 GLU A 10 -0.465 -0.774 -11.269 1.00 0.98 H new ATOM 138 N LYS A 11 0.553 -5.349 -13.404 1.00 0.58 N ATOM 139 CA LYS A 11 0.931 -6.378 -14.381 1.00 0.55 C ATOM 140 C LYS A 11 2.328 -6.168 -14.972 1.00 0.49 C ATOM 141 O LYS A 11 2.833 -7.035 -15.686 1.00 0.56 O ATOM 142 CB LYS A 11 -0.114 -6.496 -15.490 1.00 0.65 C ATOM 143 CG LYS A 11 -1.520 -6.629 -14.941 1.00 0.74 C ATOM 144 CD LYS A 11 -1.713 -7.890 -14.143 1.00 1.29 C ATOM 145 CE LYS A 11 -2.893 -7.757 -13.204 1.00 1.32 C ATOM 146 NZ LYS A 11 -3.043 -8.941 -12.316 1.00 1.91 N ATOM 0 H LYS A 11 0.653 -5.655 -12.436 1.00 0.58 H new ATOM 0 HA LYS A 11 0.967 -7.318 -13.830 1.00 0.55 H new ATOM 0 HB2 LYS A 11 -0.059 -5.618 -16.134 1.00 0.65 H new ATOM 0 HB3 LYS A 11 0.115 -7.362 -16.112 1.00 0.65 H new ATOM 0 HG2 LYS A 11 -1.743 -5.767 -14.312 1.00 0.74 H new ATOM 0 HG3 LYS A 11 -2.231 -6.614 -15.767 1.00 0.74 H new ATOM 0 HD2 LYS A 11 -1.872 -8.732 -14.817 1.00 1.29 H new ATOM 0 HD3 LYS A 11 -0.810 -8.106 -13.571 1.00 1.29 H new ATOM 0 HE2 LYS A 11 -2.771 -6.862 -12.595 1.00 1.32 H new ATOM 0 HE3 LYS A 11 -3.805 -7.624 -13.786 1.00 1.32 H new ATOM 0 HZ1 LYS A 11 -3.863 -8.805 -11.691 1.00 1.91 H new ATOM 0 HZ2 LYS A 11 -3.186 -9.793 -12.895 1.00 1.91 H new ATOM 0 HZ3 LYS A 11 -2.184 -9.054 -11.740 1.00 1.91 H new ATOM 160 N VAL A 12 2.961 -5.034 -14.690 1.00 0.44 N ATOM 161 CA VAL A 12 4.359 -4.857 -15.076 1.00 0.42 C ATOM 162 C VAL A 12 5.283 -5.150 -13.902 1.00 0.35 C ATOM 163 O VAL A 12 5.114 -4.611 -12.807 1.00 0.30 O ATOM 164 CB VAL A 12 4.678 -3.450 -15.650 1.00 0.47 C ATOM 165 CG1 VAL A 12 3.946 -2.358 -14.901 1.00 0.47 C ATOM 166 CG2 VAL A 12 6.177 -3.192 -15.598 1.00 0.46 C ATOM 0 H VAL A 12 2.542 -4.240 -14.207 1.00 0.44 H new ATOM 0 HA VAL A 12 4.533 -5.572 -15.880 1.00 0.42 H new ATOM 0 HB VAL A 12 4.337 -3.433 -16.685 1.00 0.47 H new ATOM 0 HG11 VAL A 12 4.196 -1.389 -15.334 1.00 0.47 H new ATOM 0 HG12 VAL A 12 2.871 -2.522 -14.977 1.00 0.47 H new ATOM 0 HG13 VAL A 12 4.242 -2.374 -13.852 1.00 0.47 H new ATOM 0 HG21 VAL A 12 6.390 -2.203 -16.003 1.00 0.46 H new ATOM 0 HG22 VAL A 12 6.519 -3.243 -14.564 1.00 0.46 H new ATOM 0 HG23 VAL A 12 6.697 -3.946 -16.190 1.00 0.46 H new ATOM 176 N SER A 13 6.249 -6.020 -14.140 1.00 0.35 N ATOM 177 CA SER A 13 7.218 -6.380 -13.125 1.00 0.30 C ATOM 178 C SER A 13 8.295 -5.309 -12.990 1.00 0.28 C ATOM 179 O SER A 13 8.928 -4.905 -13.970 1.00 0.40 O ATOM 180 CB SER A 13 7.835 -7.745 -13.443 1.00 0.34 C ATOM 181 OG SER A 13 8.214 -7.832 -14.807 1.00 1.02 O ATOM 0 H SER A 13 6.382 -6.492 -15.034 1.00 0.35 H new ATOM 0 HA SER A 13 6.703 -6.450 -12.167 1.00 0.30 H new ATOM 0 HB2 SER A 13 8.707 -7.909 -12.810 1.00 0.34 H new ATOM 0 HB3 SER A 13 7.119 -8.533 -13.211 1.00 0.34 H new ATOM 0 HG SER A 13 8.612 -6.983 -15.091 1.00 1.02 H new ATOM 187 N GLY A 14 8.478 -4.838 -11.769 1.00 0.16 N ATOM 188 CA GLY A 14 9.468 -3.831 -11.499 1.00 0.14 C ATOM 189 C GLY A 14 10.105 -4.011 -10.146 1.00 0.12 C ATOM 190 O GLY A 14 10.139 -5.121 -9.618 1.00 0.14 O ATOM 0 H GLY A 14 7.948 -5.143 -10.952 1.00 0.16 H new ATOM 0 HA2 GLY A 14 10.238 -3.865 -12.269 1.00 0.14 H new ATOM 0 HA3 GLY A 14 9.006 -2.845 -11.553 1.00 0.14 H new ATOM 194 N ILE A 15 10.623 -2.932 -9.589 1.00 0.11 N ATOM 195 CA ILE A 15 11.295 -2.983 -8.309 1.00 0.12 C ATOM 196 C ILE A 15 10.738 -1.933 -7.367 1.00 0.10 C ATOM 197 O ILE A 15 10.221 -0.922 -7.799 1.00 0.08 O ATOM 198 CB ILE A 15 12.812 -2.761 -8.449 1.00 0.15 C ATOM 199 CG1 ILE A 15 13.363 -3.509 -9.660 1.00 0.17 C ATOM 200 CG2 ILE A 15 13.543 -3.196 -7.188 1.00 0.17 C ATOM 201 CD1 ILE A 15 13.431 -5.009 -9.537 1.00 0.19 C ATOM 0 H ILE A 15 10.589 -2.003 -10.009 1.00 0.11 H new ATOM 0 HA ILE A 15 11.119 -3.979 -7.904 1.00 0.12 H new ATOM 0 HB ILE A 15 12.979 -1.694 -8.596 1.00 0.15 H new ATOM 0 HG12 ILE A 15 12.747 -3.263 -10.525 1.00 0.17 H new ATOM 0 HG13 ILE A 15 14.366 -3.136 -9.867 1.00 0.17 H new ATOM 0 HG21 ILE A 15 14.613 -3.029 -7.312 1.00 0.17 H new ATOM 0 HG22 ILE A 15 13.181 -2.616 -6.339 1.00 0.17 H new ATOM 0 HG23 ILE A 15 13.359 -4.255 -7.008 1.00 0.17 H new ATOM 0 HD11 ILE A 15 13.838 -5.431 -10.456 1.00 0.19 H new ATOM 0 HD12 ILE A 15 14.074 -5.277 -8.699 1.00 0.19 H new ATOM 0 HD13 ILE A 15 12.430 -5.406 -9.367 1.00 0.19 H new ATOM 213 N ILE A 16 10.845 -2.192 -6.087 1.00 0.13 N ATOM 214 CA ILE A 16 10.377 -1.278 -5.064 1.00 0.11 C ATOM 215 C ILE A 16 11.517 -0.948 -4.113 1.00 0.12 C ATOM 216 O ILE A 16 12.256 -1.831 -3.680 1.00 0.15 O ATOM 217 CB ILE A 16 9.175 -1.877 -4.299 1.00 0.12 C ATOM 218 CG1 ILE A 16 7.921 -1.077 -4.615 1.00 0.12 C ATOM 219 CG2 ILE A 16 9.410 -1.907 -2.792 1.00 0.13 C ATOM 220 CD1 ILE A 16 6.663 -1.673 -4.028 1.00 0.16 C ATOM 0 H ILE A 16 11.261 -3.047 -5.719 1.00 0.13 H new ATOM 0 HA ILE A 16 10.038 -0.358 -5.540 1.00 0.11 H new ATOM 0 HB ILE A 16 9.051 -2.909 -4.628 1.00 0.12 H new ATOM 0 HG12 ILE A 16 8.043 -0.061 -4.238 1.00 0.12 H new ATOM 0 HG13 ILE A 16 7.809 -1.004 -5.697 1.00 0.12 H new ATOM 0 HG21 ILE A 16 8.539 -2.336 -2.296 1.00 0.13 H new ATOM 0 HG22 ILE A 16 10.288 -2.515 -2.573 1.00 0.13 H new ATOM 0 HG23 ILE A 16 9.571 -0.892 -2.429 1.00 0.13 H new ATOM 0 HD11 ILE A 16 5.808 -1.051 -4.293 1.00 0.16 H new ATOM 0 HD12 ILE A 16 6.517 -2.678 -4.424 1.00 0.16 H new ATOM 0 HD13 ILE A 16 6.755 -1.721 -2.943 1.00 0.16 H new ATOM 232 N ALA A 17 11.697 0.326 -3.842 1.00 0.10 N ATOM 233 CA ALA A 17 12.726 0.755 -2.917 1.00 0.10 C ATOM 234 C ALA A 17 12.217 1.832 -1.972 1.00 0.08 C ATOM 235 O ALA A 17 11.926 2.947 -2.390 1.00 0.08 O ATOM 236 CB ALA A 17 13.945 1.238 -3.679 1.00 0.12 C ATOM 0 H ALA A 17 11.146 1.083 -4.247 1.00 0.10 H new ATOM 0 HA ALA A 17 13.009 -0.103 -2.307 1.00 0.10 H new ATOM 0 HB1 ALA A 17 14.712 1.558 -2.974 1.00 0.12 H new ATOM 0 HB2 ALA A 17 14.334 0.427 -4.295 1.00 0.12 H new ATOM 0 HB3 ALA A 17 13.666 2.077 -4.317 1.00 0.12 H new ATOM 242 N ILE A 18 12.109 1.489 -0.705 1.00 0.08 N ATOM 243 CA ILE A 18 11.805 2.456 0.331 1.00 0.08 C ATOM 244 C ILE A 18 13.102 3.110 0.766 1.00 0.09 C ATOM 245 O ILE A 18 14.022 2.432 1.217 1.00 0.18 O ATOM 246 CB ILE A 18 11.181 1.834 1.591 1.00 0.10 C ATOM 247 CG1 ILE A 18 10.012 0.917 1.241 1.00 0.12 C ATOM 248 CG2 ILE A 18 10.737 2.939 2.547 1.00 0.13 C ATOM 249 CD1 ILE A 18 10.416 -0.517 1.022 1.00 0.12 C ATOM 0 H ILE A 18 12.229 0.535 -0.364 1.00 0.08 H new ATOM 0 HA ILE A 18 11.086 3.155 -0.096 1.00 0.08 H new ATOM 0 HB ILE A 18 11.937 1.221 2.082 1.00 0.10 H new ATOM 0 HG12 ILE A 18 9.275 0.960 2.043 1.00 0.12 H new ATOM 0 HG13 ILE A 18 9.525 1.290 0.340 1.00 0.12 H new ATOM 0 HG21 ILE A 18 10.295 2.493 3.438 1.00 0.13 H new ATOM 0 HG22 ILE A 18 11.599 3.542 2.832 1.00 0.13 H new ATOM 0 HG23 ILE A 18 9.999 3.572 2.054 1.00 0.13 H new ATOM 0 HD11 ILE A 18 9.535 -1.110 0.777 1.00 0.12 H new ATOM 0 HD12 ILE A 18 11.130 -0.572 0.200 1.00 0.12 H new ATOM 0 HD13 ILE A 18 10.876 -0.908 1.930 1.00 0.12 H new ATOM 261 N ASN A 19 13.190 4.403 0.633 1.00 0.13 N ATOM 262 CA ASN A 19 14.390 5.111 1.011 1.00 0.18 C ATOM 263 C ASN A 19 14.062 6.175 2.012 1.00 0.20 C ATOM 264 O ASN A 19 13.190 7.007 1.767 1.00 0.21 O ATOM 265 CB ASN A 19 15.057 5.716 -0.233 1.00 0.22 C ATOM 266 CG ASN A 19 15.921 6.921 0.087 1.00 0.43 C ATOM 267 OD1 ASN A 19 17.094 6.792 0.426 1.00 1.12 O ATOM 268 ND2 ASN A 19 15.340 8.108 -0.034 1.00 0.29 N ATOM 0 H ASN A 19 12.445 4.994 0.265 1.00 0.13 H new ATOM 0 HA ASN A 19 15.090 4.413 1.469 1.00 0.18 H new ATOM 0 HB2 ASN A 19 15.669 4.955 -0.717 1.00 0.22 H new ATOM 0 HB3 ASN A 19 14.286 6.007 -0.947 1.00 0.22 H new ATOM 0 HD21 ASN A 19 15.871 8.958 0.157 1.00 0.29 H new ATOM 0 HD22 ASN A 19 14.362 8.171 -0.318 1.00 0.29 H new ATOM 275 N GLU A 20 14.720 6.160 3.162 1.00 0.24 N ATOM 276 CA GLU A 20 14.644 7.336 3.966 1.00 0.28 C ATOM 277 C GLU A 20 16.008 8.016 3.907 1.00 0.34 C ATOM 278 O GLU A 20 16.854 7.850 4.789 1.00 0.40 O ATOM 279 CB GLU A 20 14.340 6.948 5.417 1.00 0.33 C ATOM 280 CG GLU A 20 13.226 5.931 5.567 1.00 0.33 C ATOM 281 CD GLU A 20 13.262 5.232 6.908 1.00 0.55 C ATOM 282 OE1 GLU A 20 12.791 5.825 7.902 1.00 0.70 O ATOM 283 OE2 GLU A 20 13.749 4.087 6.977 1.00 0.74 O ATOM 0 H GLU A 20 15.277 5.389 3.530 1.00 0.24 H new ATOM 0 HA GLU A 20 13.858 7.999 3.604 1.00 0.28 H new ATOM 0 HB2 GLU A 20 15.246 6.548 5.872 1.00 0.33 H new ATOM 0 HB3 GLU A 20 14.074 7.847 5.974 1.00 0.33 H new ATOM 0 HG2 GLU A 20 12.264 6.429 5.445 1.00 0.33 H new ATOM 0 HG3 GLU A 20 13.304 5.190 4.772 1.00 0.33 H new ATOM 290 N ASP A 21 16.196 8.781 2.854 1.00 0.35 N ATOM 291 CA ASP A 21 17.175 9.850 2.762 1.00 0.41 C ATOM 292 C ASP A 21 16.406 11.116 2.467 1.00 0.41 C ATOM 293 O ASP A 21 16.889 12.241 2.584 1.00 0.46 O ATOM 294 CB ASP A 21 18.197 9.543 1.662 1.00 0.44 C ATOM 295 CG ASP A 21 19.163 10.682 1.409 1.00 0.51 C ATOM 296 OD1 ASP A 21 20.168 10.784 2.139 1.00 0.59 O ATOM 297 OD2 ASP A 21 18.925 11.474 0.472 1.00 0.53 O ATOM 0 H ASP A 21 15.649 8.673 2.000 1.00 0.35 H new ATOM 0 HA ASP A 21 17.738 9.957 3.689 1.00 0.41 H new ATOM 0 HB2 ASP A 21 18.761 8.652 1.938 1.00 0.44 H new ATOM 0 HB3 ASP A 21 17.668 9.312 0.738 1.00 0.44 H new ATOM 302 N VAL A 22 15.155 10.862 2.123 1.00 0.35 N ATOM 303 CA VAL A 22 14.335 11.758 1.332 1.00 0.33 C ATOM 304 C VAL A 22 13.346 12.543 2.201 1.00 0.31 C ATOM 305 O VAL A 22 13.308 12.372 3.427 1.00 0.30 O ATOM 306 CB VAL A 22 13.573 10.857 0.308 1.00 0.30 C ATOM 307 CG1 VAL A 22 12.640 9.901 1.033 1.00 0.25 C ATOM 308 CG2 VAL A 22 12.800 11.633 -0.744 1.00 0.32 C ATOM 0 H VAL A 22 14.671 10.006 2.394 1.00 0.35 H new ATOM 0 HA VAL A 22 14.954 12.503 0.833 1.00 0.33 H new ATOM 0 HB VAL A 22 14.344 10.301 -0.225 1.00 0.30 H new ATOM 0 HG11 VAL A 22 12.117 9.281 0.305 1.00 0.25 H new ATOM 0 HG12 VAL A 22 13.219 9.265 1.702 1.00 0.25 H new ATOM 0 HG13 VAL A 22 11.914 10.471 1.612 1.00 0.25 H new ATOM 0 HG21 VAL A 22 12.299 10.936 -1.416 1.00 0.32 H new ATOM 0 HG22 VAL A 22 12.057 12.265 -0.257 1.00 0.32 H new ATOM 0 HG23 VAL A 22 13.488 12.256 -1.315 1.00 0.32 H new ATOM 318 N SER A 23 12.586 13.420 1.554 1.00 0.32 N ATOM 319 CA SER A 23 11.395 14.034 2.126 1.00 0.28 C ATOM 320 C SER A 23 10.494 12.902 2.615 1.00 0.18 C ATOM 321 O SER A 23 10.759 11.768 2.236 1.00 0.16 O ATOM 322 CB SER A 23 10.715 14.880 1.054 1.00 0.35 C ATOM 323 OG SER A 23 11.671 15.650 0.342 1.00 1.31 O ATOM 0 H SER A 23 12.784 13.729 0.602 1.00 0.32 H new ATOM 0 HA SER A 23 11.631 14.691 2.963 1.00 0.28 H new ATOM 0 HB2 SER A 23 10.173 14.234 0.363 1.00 0.35 H new ATOM 0 HB3 SER A 23 9.980 15.540 1.516 1.00 0.35 H new ATOM 0 HG SER A 23 11.216 16.185 -0.342 1.00 1.31 H new ATOM 329 N PRO A 24 9.414 13.133 3.404 1.00 0.16 N ATOM 330 CA PRO A 24 8.867 12.085 4.289 1.00 0.16 C ATOM 331 C PRO A 24 8.824 10.743 3.579 1.00 0.15 C ATOM 332 O PRO A 24 8.263 10.634 2.485 1.00 0.22 O ATOM 333 CB PRO A 24 7.444 12.588 4.566 1.00 0.21 C ATOM 334 CG PRO A 24 7.209 13.633 3.534 1.00 0.19 C ATOM 335 CD PRO A 24 8.538 14.307 3.396 1.00 0.17 C ATOM 0 HA PRO A 24 9.461 11.929 5.189 1.00 0.16 H new ATOM 0 HB2 PRO A 24 6.716 11.781 4.486 1.00 0.21 H new ATOM 0 HB3 PRO A 24 7.357 12.998 5.572 1.00 0.21 H new ATOM 0 HG2 PRO A 24 6.882 13.196 2.590 1.00 0.19 H new ATOM 0 HG3 PRO A 24 6.435 14.335 3.845 1.00 0.19 H new ATOM 0 HD2 PRO A 24 8.620 14.883 2.475 1.00 0.17 H new ATOM 0 HD3 PRO A 24 8.747 14.990 4.219 1.00 0.17 H new ATOM 343 N ALA A 25 9.403 9.740 4.258 1.00 0.15 N ATOM 344 CA ALA A 25 9.964 8.544 3.616 1.00 0.14 C ATOM 345 C ALA A 25 9.222 8.111 2.378 1.00 0.14 C ATOM 346 O ALA A 25 7.995 8.023 2.357 1.00 0.18 O ATOM 347 CB ALA A 25 10.067 7.388 4.579 1.00 0.20 C ATOM 0 H ALA A 25 9.495 9.738 5.274 1.00 0.15 H new ATOM 0 HA ALA A 25 10.964 8.841 3.301 1.00 0.14 H new ATOM 0 HB1 ALA A 25 10.486 6.523 4.065 1.00 0.20 H new ATOM 0 HB2 ALA A 25 10.714 7.665 5.412 1.00 0.20 H new ATOM 0 HB3 ALA A 25 9.075 7.140 4.957 1.00 0.20 H new ATOM 353 N GLU A 26 9.991 7.782 1.368 1.00 0.14 N ATOM 354 CA GLU A 26 9.449 7.535 0.063 1.00 0.15 C ATOM 355 C GLU A 26 9.824 6.148 -0.434 1.00 0.11 C ATOM 356 O GLU A 26 10.946 5.677 -0.248 1.00 0.13 O ATOM 357 CB GLU A 26 9.870 8.624 -0.948 1.00 0.27 C ATOM 358 CG GLU A 26 8.973 9.853 -0.912 1.00 0.66 C ATOM 359 CD GLU A 26 9.403 10.936 -1.883 1.00 0.71 C ATOM 360 OE1 GLU A 26 9.507 10.657 -3.095 1.00 1.26 O ATOM 361 OE2 GLU A 26 9.612 12.085 -1.447 1.00 1.14 O ATOM 0 H GLU A 26 11.004 7.680 1.431 1.00 0.14 H new ATOM 0 HA GLU A 26 8.363 7.577 0.150 1.00 0.15 H new ATOM 0 HB2 GLU A 26 10.897 8.925 -0.741 1.00 0.27 H new ATOM 0 HB3 GLU A 26 9.858 8.202 -1.953 1.00 0.27 H new ATOM 0 HG2 GLU A 26 7.950 9.555 -1.141 1.00 0.66 H new ATOM 0 HG3 GLU A 26 8.968 10.261 0.099 1.00 0.66 H new ATOM 368 N LEU A 27 8.855 5.505 -1.046 1.00 0.10 N ATOM 369 CA LEU A 27 9.042 4.232 -1.711 1.00 0.09 C ATOM 370 C LEU A 27 9.126 4.525 -3.180 1.00 0.09 C ATOM 371 O LEU A 27 8.421 5.388 -3.671 1.00 0.13 O ATOM 372 CB LEU A 27 7.842 3.315 -1.424 1.00 0.11 C ATOM 373 CG LEU A 27 7.679 2.063 -2.310 1.00 0.10 C ATOM 374 CD1 LEU A 27 6.720 1.111 -1.649 1.00 0.15 C ATOM 375 CD2 LEU A 27 7.140 2.399 -3.703 1.00 0.11 C ATOM 0 H LEU A 27 7.899 5.856 -1.097 1.00 0.10 H new ATOM 0 HA LEU A 27 9.942 3.728 -1.359 1.00 0.09 H new ATOM 0 HB2 LEU A 27 7.909 2.987 -0.387 1.00 0.11 H new ATOM 0 HB3 LEU A 27 6.934 3.911 -1.512 1.00 0.11 H new ATOM 0 HG LEU A 27 8.667 1.618 -2.426 1.00 0.10 H new ATOM 0 HD11 LEU A 27 6.601 0.224 -2.271 1.00 0.15 H new ATOM 0 HD12 LEU A 27 7.110 0.820 -0.674 1.00 0.15 H new ATOM 0 HD13 LEU A 27 5.753 1.598 -1.523 1.00 0.15 H new ATOM 0 HD21 LEU A 27 7.044 1.483 -4.287 1.00 0.11 H new ATOM 0 HD22 LEU A 27 6.164 2.875 -3.610 1.00 0.11 H new ATOM 0 HD23 LEU A 27 7.828 3.079 -4.205 1.00 0.11 H new ATOM 387 N THR A 28 9.954 3.816 -3.885 1.00 0.08 N ATOM 388 CA THR A 28 10.097 4.072 -5.288 1.00 0.09 C ATOM 389 C THR A 28 10.002 2.787 -6.077 1.00 0.08 C ATOM 390 O THR A 28 10.887 1.933 -6.002 1.00 0.10 O ATOM 391 CB THR A 28 11.420 4.781 -5.596 1.00 0.14 C ATOM 392 OG1 THR A 28 11.601 5.894 -4.709 1.00 0.21 O ATOM 393 CG2 THR A 28 11.418 5.268 -7.027 1.00 0.14 C ATOM 0 H THR A 28 10.536 3.063 -3.518 1.00 0.08 H new ATOM 0 HA THR A 28 9.281 4.731 -5.585 1.00 0.09 H new ATOM 0 HB THR A 28 12.239 4.076 -5.455 1.00 0.14 H new ATOM 0 HG1 THR A 28 12.450 6.340 -4.912 1.00 0.21 H new ATOM 0 HG21 THR A 28 12.361 5.771 -7.241 1.00 0.14 H new ATOM 0 HG22 THR A 28 11.299 4.419 -7.700 1.00 0.14 H new ATOM 0 HG23 THR A 28 10.593 5.965 -7.173 1.00 0.14 H new ATOM 401 N TRP A 29 8.913 2.638 -6.807 1.00 0.08 N ATOM 402 CA TRP A 29 8.765 1.503 -7.690 1.00 0.08 C ATOM 403 C TRP A 29 9.410 1.817 -9.021 1.00 0.08 C ATOM 404 O TRP A 29 8.897 2.588 -9.816 1.00 0.12 O ATOM 405 CB TRP A 29 7.302 1.125 -7.899 1.00 0.11 C ATOM 406 CG TRP A 29 7.125 -0.069 -8.796 1.00 0.11 C ATOM 407 CD1 TRP A 29 7.220 -1.385 -8.443 1.00 0.13 C ATOM 408 CD2 TRP A 29 6.829 -0.053 -10.197 1.00 0.14 C ATOM 409 NE1 TRP A 29 7.005 -2.185 -9.538 1.00 0.14 N ATOM 410 CE2 TRP A 29 6.763 -1.391 -10.626 1.00 0.14 C ATOM 411 CE3 TRP A 29 6.611 0.963 -11.129 1.00 0.19 C ATOM 412 CZ2 TRP A 29 6.492 -1.737 -11.945 1.00 0.19 C ATOM 413 CZ3 TRP A 29 6.341 0.618 -12.437 1.00 0.24 C ATOM 414 CH2 TRP A 29 6.284 -0.720 -12.835 1.00 0.24 C ATOM 0 H TRP A 29 8.124 3.285 -6.805 1.00 0.08 H new ATOM 0 HA TRP A 29 9.258 0.650 -7.224 1.00 0.08 H new ATOM 0 HB2 TRP A 29 6.845 0.917 -6.932 1.00 0.11 H new ATOM 0 HB3 TRP A 29 6.770 1.975 -8.326 1.00 0.11 H new ATOM 0 HD1 TRP A 29 7.433 -1.744 -7.447 1.00 0.13 H new ATOM 0 HE1 TRP A 29 7.023 -3.205 -9.540 1.00 0.14 H new ATOM 0 HE3 TRP A 29 6.653 2.000 -10.831 1.00 0.19 H new ATOM 0 HZ2 TRP A 29 6.447 -2.771 -12.255 1.00 0.19 H new ATOM 0 HZ3 TRP A 29 6.171 1.396 -13.166 1.00 0.24 H new ATOM 0 HH2 TRP A 29 6.071 -0.956 -13.867 1.00 0.24 H new ATOM 425 N ARG A 30 10.543 1.216 -9.240 1.00 0.10 N ATOM 426 CA ARG A 30 11.283 1.399 -10.457 1.00 0.12 C ATOM 427 C ARG A 30 11.246 0.107 -11.249 1.00 0.13 C ATOM 428 O ARG A 30 11.763 -0.907 -10.798 1.00 0.15 O ATOM 429 CB ARG A 30 12.718 1.804 -10.118 1.00 0.15 C ATOM 430 CG ARG A 30 13.652 1.823 -11.309 1.00 0.21 C ATOM 431 CD ARG A 30 14.531 0.584 -11.324 1.00 0.32 C ATOM 432 NE ARG A 30 15.382 0.512 -12.514 1.00 0.33 N ATOM 433 CZ ARG A 30 15.992 -0.598 -12.927 1.00 0.47 C ATOM 434 NH1 ARG A 30 15.817 -1.736 -12.265 1.00 0.87 N ATOM 435 NH2 ARG A 30 16.775 -0.574 -13.999 1.00 0.51 N ATOM 0 H ARG A 30 10.984 0.580 -8.575 1.00 0.10 H new ATOM 0 HA ARG A 30 10.841 2.191 -11.062 1.00 0.12 H new ATOM 0 HB2 ARG A 30 12.707 2.794 -9.663 1.00 0.15 H new ATOM 0 HB3 ARG A 30 13.112 1.114 -9.372 1.00 0.15 H new ATOM 0 HG2 ARG A 30 13.072 1.875 -12.231 1.00 0.21 H new ATOM 0 HG3 ARG A 30 14.275 2.716 -11.274 1.00 0.21 H new ATOM 0 HD2 ARG A 30 15.158 0.577 -10.432 1.00 0.32 H new ATOM 0 HD3 ARG A 30 13.901 -0.304 -11.278 1.00 0.32 H new ATOM 0 HE ARG A 30 15.516 1.363 -13.060 1.00 0.33 H new ATOM 0 HH11 ARG A 30 15.216 -1.760 -11.441 1.00 0.87 H new ATOM 0 HH12 ARG A 30 16.284 -2.586 -12.580 1.00 0.87 H new ATOM 0 HH21 ARG A 30 16.912 0.297 -14.511 1.00 0.51 H new ATOM 0 HH22 ARG A 30 17.239 -1.427 -14.310 1.00 0.51 H new ATOM 449 N SER A 31 10.620 0.141 -12.416 1.00 0.16 N ATOM 450 CA SER A 31 10.470 -1.050 -13.231 1.00 0.18 C ATOM 451 C SER A 31 11.832 -1.656 -13.524 1.00 0.20 C ATOM 452 O SER A 31 12.818 -0.944 -13.691 1.00 0.24 O ATOM 453 CB SER A 31 9.752 -0.709 -14.536 1.00 0.28 C ATOM 454 OG SER A 31 10.442 0.306 -15.240 1.00 0.75 O ATOM 0 H SER A 31 10.208 0.983 -12.818 1.00 0.16 H new ATOM 0 HA SER A 31 9.872 -1.778 -12.683 1.00 0.18 H new ATOM 0 HB2 SER A 31 9.675 -1.601 -15.158 1.00 0.28 H new ATOM 0 HB3 SER A 31 8.735 -0.382 -14.322 1.00 0.28 H new ATOM 0 HG SER A 31 10.420 1.137 -14.721 1.00 0.75 H new ATOM 460 N THR A 32 11.863 -2.980 -13.564 1.00 0.20 N ATOM 461 CA THR A 32 13.094 -3.734 -13.768 1.00 0.26 C ATOM 462 C THR A 32 13.785 -3.305 -15.069 1.00 0.30 C ATOM 463 O THR A 32 14.999 -3.434 -15.217 1.00 0.38 O ATOM 464 CB THR A 32 12.794 -5.244 -13.805 1.00 0.31 C ATOM 465 OG1 THR A 32 12.024 -5.602 -12.649 1.00 0.31 O ATOM 466 CG2 THR A 32 14.079 -6.059 -13.825 1.00 0.39 C ATOM 0 H THR A 32 11.034 -3.564 -13.456 1.00 0.20 H new ATOM 0 HA THR A 32 13.764 -3.525 -12.934 1.00 0.26 H new ATOM 0 HB THR A 32 12.234 -5.462 -14.715 1.00 0.31 H new ATOM 0 HG1 THR A 32 11.830 -6.562 -12.670 1.00 0.31 H new ATOM 0 HG21 THR A 32 13.836 -7.121 -13.851 1.00 0.39 H new ATOM 0 HG22 THR A 32 14.661 -5.798 -14.709 1.00 0.39 H new ATOM 0 HG23 THR A 32 14.661 -5.842 -12.930 1.00 0.39 H new ATOM 474 N ASP A 33 12.993 -2.781 -16.003 1.00 0.32 N ATOM 475 CA ASP A 33 13.495 -2.294 -17.268 1.00 0.39 C ATOM 476 C ASP A 33 14.176 -0.940 -17.109 1.00 0.37 C ATOM 477 O ASP A 33 15.083 -0.599 -17.865 1.00 0.44 O ATOM 478 CB ASP A 33 12.336 -2.153 -18.249 1.00 0.52 C ATOM 479 CG ASP A 33 11.560 -3.437 -18.438 1.00 1.60 C ATOM 480 OD1 ASP A 33 11.921 -4.222 -19.338 1.00 2.07 O ATOM 481 OD2 ASP A 33 10.595 -3.673 -17.677 1.00 2.33 O ATOM 0 H ASP A 33 11.983 -2.686 -15.895 1.00 0.32 H new ATOM 0 HA ASP A 33 14.228 -3.009 -17.641 1.00 0.39 H new ATOM 0 HB2 ASP A 33 11.660 -1.376 -17.894 1.00 0.52 H new ATOM 0 HB3 ASP A 33 12.722 -1.823 -19.214 1.00 0.52 H new ATOM 486 N GLY A 34 13.741 -0.180 -16.111 1.00 0.36 N ATOM 487 CA GLY A 34 14.233 1.170 -15.928 1.00 0.37 C ATOM 488 C GLY A 34 13.337 2.189 -16.602 1.00 0.42 C ATOM 489 O GLY A 34 13.661 3.371 -16.668 1.00 0.55 O ATOM 0 H GLY A 34 13.051 -0.479 -15.421 1.00 0.36 H new ATOM 0 HA2 GLY A 34 14.299 1.392 -14.863 1.00 0.37 H new ATOM 0 HA3 GLY A 34 15.242 1.248 -16.333 1.00 0.37 H new ATOM 493 N ASP A 35 12.196 1.721 -17.089 1.00 0.45 N ATOM 494 CA ASP A 35 11.271 2.564 -17.836 1.00 0.55 C ATOM 495 C ASP A 35 10.341 3.331 -16.904 1.00 0.46 C ATOM 496 O ASP A 35 10.482 4.539 -16.720 1.00 0.74 O ATOM 497 CB ASP A 35 10.459 1.715 -18.807 1.00 0.73 C ATOM 498 CG ASP A 35 9.407 2.518 -19.541 1.00 0.89 C ATOM 499 OD1 ASP A 35 9.763 3.251 -20.488 1.00 1.13 O ATOM 500 OD2 ASP A 35 8.221 2.425 -19.170 1.00 0.92 O ATOM 0 H ASP A 35 11.887 0.755 -16.979 1.00 0.45 H new ATOM 0 HA ASP A 35 11.857 3.292 -18.397 1.00 0.55 H new ATOM 0 HB2 ASP A 35 11.131 1.255 -19.531 1.00 0.73 H new ATOM 0 HB3 ASP A 35 9.977 0.905 -18.260 1.00 0.73 H new ATOM 505 N LYS A 36 9.398 2.621 -16.310 1.00 0.34 N ATOM 506 CA LYS A 36 8.433 3.233 -15.411 1.00 0.34 C ATOM 507 C LYS A 36 8.973 3.328 -13.999 1.00 0.27 C ATOM 508 O LYS A 36 9.652 2.422 -13.513 1.00 0.34 O ATOM 509 CB LYS A 36 7.123 2.453 -15.403 1.00 0.55 C ATOM 510 CG LYS A 36 6.213 2.800 -16.556 1.00 0.92 C ATOM 511 CD LYS A 36 5.231 1.676 -16.848 1.00 0.90 C ATOM 512 CE LYS A 36 4.240 1.471 -15.708 1.00 1.25 C ATOM 513 NZ LYS A 36 3.276 2.598 -15.586 1.00 2.03 N ATOM 0 H LYS A 36 9.279 1.616 -16.434 1.00 0.34 H new ATOM 0 HA LYS A 36 8.246 4.241 -15.781 1.00 0.34 H new ATOM 0 HB2 LYS A 36 7.344 1.386 -15.432 1.00 0.55 H new ATOM 0 HB3 LYS A 36 6.600 2.645 -14.466 1.00 0.55 H new ATOM 0 HG2 LYS A 36 5.664 3.713 -16.326 1.00 0.92 H new ATOM 0 HG3 LYS A 36 6.811 3.002 -17.445 1.00 0.92 H new ATOM 0 HD2 LYS A 36 4.687 1.900 -17.765 1.00 0.90 H new ATOM 0 HD3 LYS A 36 5.781 0.751 -17.021 1.00 0.90 H new ATOM 0 HE2 LYS A 36 3.692 0.543 -15.869 1.00 1.25 H new ATOM 0 HE3 LYS A 36 4.786 1.360 -14.771 1.00 1.25 H new ATOM 0 HZ1 LYS A 36 2.552 2.360 -14.878 1.00 2.03 H new ATOM 0 HZ2 LYS A 36 3.782 3.457 -15.289 1.00 2.03 H new ATOM 0 HZ3 LYS A 36 2.820 2.766 -16.505 1.00 2.03 H new ATOM 527 N VAL A 37 8.660 4.437 -13.363 1.00 0.22 N ATOM 528 CA VAL A 37 9.037 4.684 -11.974 1.00 0.21 C ATOM 529 C VAL A 37 7.858 5.318 -11.231 1.00 0.22 C ATOM 530 O VAL A 37 7.312 6.330 -11.669 1.00 0.32 O ATOM 531 CB VAL A 37 10.272 5.610 -11.866 1.00 0.22 C ATOM 532 CG1 VAL A 37 10.591 5.909 -10.411 1.00 0.54 C ATOM 533 CG2 VAL A 37 11.482 4.986 -12.548 1.00 0.55 C ATOM 0 H VAL A 37 8.135 5.200 -13.790 1.00 0.22 H new ATOM 0 HA VAL A 37 9.298 3.726 -11.524 1.00 0.21 H new ATOM 0 HB VAL A 37 10.034 6.545 -12.373 1.00 0.22 H new ATOM 0 HG11 VAL A 37 11.462 6.561 -10.356 1.00 0.54 H new ATOM 0 HG12 VAL A 37 9.738 6.403 -9.946 1.00 0.54 H new ATOM 0 HG13 VAL A 37 10.802 4.977 -9.886 1.00 0.54 H new ATOM 0 HG21 VAL A 37 12.337 5.657 -12.458 1.00 0.55 H new ATOM 0 HG22 VAL A 37 11.717 4.034 -12.073 1.00 0.55 H new ATOM 0 HG23 VAL A 37 11.260 4.821 -13.602 1.00 0.55 H new ATOM 543 N HIS A 38 7.464 4.713 -10.122 1.00 0.17 N ATOM 544 CA HIS A 38 6.302 5.159 -9.365 1.00 0.19 C ATOM 545 C HIS A 38 6.657 5.304 -7.888 1.00 0.17 C ATOM 546 O HIS A 38 6.884 4.310 -7.203 1.00 0.17 O ATOM 547 CB HIS A 38 5.178 4.143 -9.525 1.00 0.25 C ATOM 548 CG HIS A 38 3.816 4.685 -9.218 1.00 0.41 C ATOM 549 ND1 HIS A 38 2.921 5.057 -10.194 1.00 0.52 N ATOM 550 CD2 HIS A 38 3.198 4.915 -8.039 1.00 0.56 C ATOM 551 CE1 HIS A 38 1.813 5.495 -9.630 1.00 0.67 C ATOM 552 NE2 HIS A 38 1.951 5.421 -8.318 1.00 0.69 N ATOM 0 H HIS A 38 7.937 3.903 -9.721 1.00 0.17 H new ATOM 0 HA HIS A 38 5.979 6.129 -9.744 1.00 0.19 H new ATOM 0 HB2 HIS A 38 5.186 3.767 -10.548 1.00 0.25 H new ATOM 0 HB3 HIS A 38 5.375 3.293 -8.871 1.00 0.25 H new ATOM 0 HD2 HIS A 38 3.609 4.734 -7.057 1.00 0.56 H new ATOM 0 HE1 HIS A 38 0.939 5.854 -10.153 1.00 0.67 H new ATOM 0 HE2 HIS A 38 1.250 5.693 -7.629 1.00 0.69 H new ATOM 561 N THR A 39 6.686 6.527 -7.393 1.00 0.18 N ATOM 562 CA THR A 39 7.126 6.774 -6.027 1.00 0.17 C ATOM 563 C THR A 39 5.934 6.984 -5.068 1.00 0.19 C ATOM 564 O THR A 39 4.925 7.589 -5.441 1.00 0.30 O ATOM 565 CB THR A 39 8.043 8.012 -5.978 1.00 0.22 C ATOM 566 OG1 THR A 39 9.074 7.896 -6.971 1.00 0.23 O ATOM 567 CG2 THR A 39 8.673 8.163 -4.606 1.00 0.23 C ATOM 0 H THR A 39 6.412 7.362 -7.910 1.00 0.18 H new ATOM 0 HA THR A 39 7.676 5.891 -5.700 1.00 0.17 H new ATOM 0 HB THR A 39 7.437 8.895 -6.182 1.00 0.22 H new ATOM 0 HG1 THR A 39 9.652 8.686 -6.936 1.00 0.23 H new ATOM 0 HG21 THR A 39 9.316 9.043 -4.596 1.00 0.23 H new ATOM 0 HG22 THR A 39 7.890 8.277 -3.857 1.00 0.23 H new ATOM 0 HG23 THR A 39 9.267 7.278 -4.379 1.00 0.23 H new ATOM 575 N VAL A 40 6.048 6.462 -3.842 1.00 0.13 N ATOM 576 CA VAL A 40 5.027 6.647 -2.806 1.00 0.18 C ATOM 577 C VAL A 40 5.571 7.440 -1.608 1.00 0.11 C ATOM 578 O VAL A 40 6.624 7.105 -1.072 1.00 0.11 O ATOM 579 CB VAL A 40 4.522 5.282 -2.290 1.00 0.30 C ATOM 580 CG1 VAL A 40 3.707 5.456 -1.026 1.00 0.47 C ATOM 581 CG2 VAL A 40 3.696 4.566 -3.337 1.00 0.66 C ATOM 0 H VAL A 40 6.846 5.902 -3.541 1.00 0.13 H new ATOM 0 HA VAL A 40 4.211 7.204 -3.266 1.00 0.18 H new ATOM 0 HB VAL A 40 5.399 4.673 -2.069 1.00 0.30 H new ATOM 0 HG11 VAL A 40 3.361 4.482 -0.679 1.00 0.47 H new ATOM 0 HG12 VAL A 40 4.325 5.917 -0.255 1.00 0.47 H new ATOM 0 HG13 VAL A 40 2.848 6.094 -1.232 1.00 0.47 H new ATOM 0 HG21 VAL A 40 3.357 3.609 -2.941 1.00 0.66 H new ATOM 0 HG22 VAL A 40 2.832 5.177 -3.599 1.00 0.66 H new ATOM 0 HG23 VAL A 40 4.303 4.396 -4.226 1.00 0.66 H new ATOM 591 N VAL A 41 4.848 8.481 -1.191 1.00 0.10 N ATOM 592 CA VAL A 41 5.174 9.207 0.032 1.00 0.10 C ATOM 593 C VAL A 41 4.425 8.593 1.204 1.00 0.08 C ATOM 594 O VAL A 41 3.210 8.732 1.328 1.00 0.09 O ATOM 595 CB VAL A 41 4.833 10.714 -0.056 1.00 0.13 C ATOM 596 CG1 VAL A 41 5.229 11.438 1.232 1.00 0.14 C ATOM 597 CG2 VAL A 41 5.516 11.343 -1.259 1.00 0.18 C ATOM 0 H VAL A 41 4.031 8.839 -1.686 1.00 0.10 H new ATOM 0 HA VAL A 41 6.251 9.124 0.175 1.00 0.10 H new ATOM 0 HB VAL A 41 3.755 10.814 -0.181 1.00 0.13 H new ATOM 0 HG11 VAL A 41 4.980 12.496 1.146 1.00 0.14 H new ATOM 0 HG12 VAL A 41 4.689 11.005 2.074 1.00 0.14 H new ATOM 0 HG13 VAL A 41 6.301 11.330 1.395 1.00 0.14 H new ATOM 0 HG21 VAL A 41 5.266 12.403 -1.306 1.00 0.18 H new ATOM 0 HG22 VAL A 41 6.596 11.229 -1.165 1.00 0.18 H new ATOM 0 HG23 VAL A 41 5.177 10.849 -2.170 1.00 0.18 H new ATOM 607 N LEU A 42 5.174 7.921 2.047 1.00 0.08 N ATOM 608 CA LEU A 42 4.652 7.227 3.225 1.00 0.09 C ATOM 609 C LEU A 42 3.806 8.137 4.114 1.00 0.10 C ATOM 610 O LEU A 42 2.895 7.670 4.789 1.00 0.12 O ATOM 611 CB LEU A 42 5.802 6.648 4.047 1.00 0.10 C ATOM 612 CG LEU A 42 6.411 5.335 3.535 1.00 0.10 C ATOM 613 CD1 LEU A 42 5.548 4.174 3.975 1.00 0.12 C ATOM 614 CD2 LEU A 42 6.570 5.321 2.018 1.00 0.10 C ATOM 0 H LEU A 42 6.185 7.833 1.940 1.00 0.08 H new ATOM 0 HA LEU A 42 4.008 6.427 2.860 1.00 0.09 H new ATOM 0 HB2 LEU A 42 6.594 7.395 4.100 1.00 0.10 H new ATOM 0 HB3 LEU A 42 5.447 6.487 5.065 1.00 0.10 H new ATOM 0 HG LEU A 42 7.409 5.245 3.963 1.00 0.10 H new ATOM 0 HD11 LEU A 42 5.980 3.241 3.612 1.00 0.12 H new ATOM 0 HD12 LEU A 42 5.497 4.151 5.064 1.00 0.12 H new ATOM 0 HD13 LEU A 42 4.544 4.292 3.567 1.00 0.12 H new ATOM 0 HD21 LEU A 42 7.005 4.371 1.706 1.00 0.10 H new ATOM 0 HD22 LEU A 42 5.594 5.445 1.549 1.00 0.10 H new ATOM 0 HD23 LEU A 42 7.225 6.137 1.713 1.00 0.10 H new ATOM 626 N SER A 43 4.104 9.429 4.121 1.00 0.12 N ATOM 627 CA SER A 43 3.345 10.362 4.947 1.00 0.15 C ATOM 628 C SER A 43 1.990 10.687 4.326 1.00 0.14 C ATOM 629 O SER A 43 1.010 10.904 5.039 1.00 0.17 O ATOM 630 CB SER A 43 4.129 11.638 5.186 1.00 0.20 C ATOM 631 OG SER A 43 5.262 11.375 5.984 1.00 1.06 O ATOM 0 H SER A 43 4.854 9.852 3.574 1.00 0.12 H new ATOM 0 HA SER A 43 3.170 9.874 5.906 1.00 0.15 H new ATOM 0 HB2 SER A 43 4.439 12.066 4.233 1.00 0.20 H new ATOM 0 HB3 SER A 43 3.494 12.376 5.676 1.00 0.20 H new ATOM 0 HG SER A 43 5.045 11.543 6.925 1.00 1.06 H new ATOM 637 N THR A 44 1.932 10.727 2.997 1.00 0.13 N ATOM 638 CA THR A 44 0.659 10.907 2.310 1.00 0.14 C ATOM 639 C THR A 44 -0.143 9.615 2.386 1.00 0.13 C ATOM 640 O THR A 44 -1.325 9.573 2.059 1.00 0.18 O ATOM 641 CB THR A 44 0.840 11.332 0.833 1.00 0.16 C ATOM 642 OG1 THR A 44 1.589 10.348 0.108 1.00 0.17 O ATOM 643 CG2 THR A 44 1.547 12.676 0.738 1.00 0.20 C ATOM 0 H THR A 44 2.741 10.638 2.382 1.00 0.13 H new ATOM 0 HA THR A 44 0.123 11.713 2.811 1.00 0.14 H new ATOM 0 HB THR A 44 -0.153 11.421 0.392 1.00 0.16 H new ATOM 0 HG1 THR A 44 2.032 9.743 0.739 1.00 0.17 H new ATOM 0 HG21 THR A 44 1.663 12.953 -0.310 1.00 0.20 H new ATOM 0 HG22 THR A 44 0.956 13.435 1.251 1.00 0.20 H new ATOM 0 HG23 THR A 44 2.529 12.604 1.205 1.00 0.20 H new ATOM 651 N ILE A 45 0.538 8.564 2.814 1.00 0.11 N ATOM 652 CA ILE A 45 -0.070 7.281 3.078 1.00 0.12 C ATOM 653 C ILE A 45 -0.706 7.251 4.472 1.00 0.16 C ATOM 654 O ILE A 45 -0.119 7.699 5.456 1.00 0.23 O ATOM 655 CB ILE A 45 0.986 6.168 2.971 1.00 0.12 C ATOM 656 CG1 ILE A 45 1.606 6.141 1.568 1.00 0.10 C ATOM 657 CG2 ILE A 45 0.385 4.824 3.312 1.00 0.16 C ATOM 658 CD1 ILE A 45 0.620 5.824 0.452 1.00 0.10 C ATOM 0 H ILE A 45 1.543 8.584 2.989 1.00 0.11 H new ATOM 0 HA ILE A 45 -0.852 7.117 2.336 1.00 0.12 H new ATOM 0 HB ILE A 45 1.776 6.381 3.691 1.00 0.12 H new ATOM 0 HG12 ILE A 45 2.064 7.110 1.368 1.00 0.10 H new ATOM 0 HG13 ILE A 45 2.406 5.400 1.551 1.00 0.10 H new ATOM 0 HG21 ILE A 45 1.150 4.052 3.230 1.00 0.16 H new ATOM 0 HG22 ILE A 45 -0.000 4.846 4.331 1.00 0.16 H new ATOM 0 HG23 ILE A 45 -0.429 4.604 2.621 1.00 0.16 H new ATOM 0 HD11 ILE A 45 1.141 5.825 -0.505 1.00 0.10 H new ATOM 0 HD12 ILE A 45 0.179 4.842 0.624 1.00 0.10 H new ATOM 0 HD13 ILE A 45 -0.167 6.578 0.437 1.00 0.10 H new ATOM 670 N ASP A 46 -1.931 6.758 4.527 1.00 0.16 N ATOM 671 CA ASP A 46 -2.635 6.544 5.778 1.00 0.22 C ATOM 672 C ASP A 46 -2.286 5.184 6.373 1.00 0.22 C ATOM 673 O ASP A 46 -1.926 5.082 7.544 1.00 0.28 O ATOM 674 CB ASP A 46 -4.144 6.631 5.555 1.00 0.28 C ATOM 675 CG ASP A 46 -4.903 6.643 6.861 1.00 0.46 C ATOM 676 OD1 ASP A 46 -4.682 7.579 7.659 1.00 0.70 O ATOM 677 OD2 ASP A 46 -5.709 5.723 7.102 1.00 0.61 O ATOM 0 H ASP A 46 -2.467 6.494 3.701 1.00 0.16 H new ATOM 0 HA ASP A 46 -2.325 7.321 6.477 1.00 0.22 H new ATOM 0 HB2 ASP A 46 -4.377 7.534 4.991 1.00 0.28 H new ATOM 0 HB3 ASP A 46 -4.472 5.785 4.952 1.00 0.28 H new ATOM 682 N LYS A 47 -2.386 4.144 5.557 1.00 0.21 N ATOM 683 CA LYS A 47 -2.138 2.779 6.010 1.00 0.27 C ATOM 684 C LYS A 47 -1.308 2.030 4.981 1.00 0.18 C ATOM 685 O LYS A 47 -1.303 2.383 3.810 1.00 0.20 O ATOM 686 CB LYS A 47 -3.458 2.014 6.201 1.00 0.41 C ATOM 687 CG LYS A 47 -4.436 2.648 7.181 1.00 1.07 C ATOM 688 CD LYS A 47 -3.935 2.573 8.610 1.00 1.01 C ATOM 689 CE LYS A 47 -4.972 3.109 9.586 1.00 1.60 C ATOM 690 NZ LYS A 47 -4.462 3.127 10.983 1.00 1.95 N ATOM 0 H LYS A 47 -2.639 4.219 4.572 1.00 0.21 H new ATOM 0 HA LYS A 47 -1.607 2.840 6.960 1.00 0.27 H new ATOM 0 HB2 LYS A 47 -3.949 1.919 5.232 1.00 0.41 H new ATOM 0 HB3 LYS A 47 -3.229 1.004 6.542 1.00 0.41 H new ATOM 0 HG2 LYS A 47 -4.599 3.691 6.908 1.00 1.07 H new ATOM 0 HG3 LYS A 47 -5.400 2.145 7.108 1.00 1.07 H new ATOM 0 HD2 LYS A 47 -3.696 1.539 8.861 1.00 1.01 H new ATOM 0 HD3 LYS A 47 -3.012 3.145 8.705 1.00 1.01 H new ATOM 0 HE2 LYS A 47 -5.260 4.118 9.292 1.00 1.60 H new ATOM 0 HE3 LYS A 47 -5.870 2.494 9.535 1.00 1.60 H new ATOM 0 HZ1 LYS A 47 -5.198 3.499 11.617 1.00 1.95 H new ATOM 0 HZ2 LYS A 47 -4.211 2.160 11.273 1.00 1.95 H new ATOM 0 HZ3 LYS A 47 -3.620 3.735 11.037 1.00 1.95 H new ATOM 704 N LEU A 48 -0.604 1.004 5.411 1.00 0.14 N ATOM 705 CA LEU A 48 -0.004 0.073 4.477 1.00 0.10 C ATOM 706 C LEU A 48 -0.561 -1.317 4.706 1.00 0.11 C ATOM 707 O LEU A 48 -0.721 -1.759 5.839 1.00 0.14 O ATOM 708 CB LEU A 48 1.508 0.022 4.600 1.00 0.10 C ATOM 709 CG LEU A 48 2.128 -1.237 4.010 1.00 0.11 C ATOM 710 CD1 LEU A 48 2.096 -1.210 2.501 1.00 0.12 C ATOM 711 CD2 LEU A 48 3.539 -1.389 4.483 1.00 0.13 C ATOM 0 H LEU A 48 -0.433 0.794 6.394 1.00 0.14 H new ATOM 0 HA LEU A 48 -0.249 0.426 3.475 1.00 0.10 H new ATOM 0 HB2 LEU A 48 1.934 0.893 4.102 1.00 0.10 H new ATOM 0 HB3 LEU A 48 1.781 0.091 5.653 1.00 0.10 H new ATOM 0 HG LEU A 48 1.538 -2.089 4.349 1.00 0.11 H new ATOM 0 HD11 LEU A 48 2.546 -2.123 2.111 1.00 0.12 H new ATOM 0 HD12 LEU A 48 1.063 -1.140 2.160 1.00 0.12 H new ATOM 0 HD13 LEU A 48 2.656 -0.347 2.141 1.00 0.12 H new ATOM 0 HD21 LEU A 48 3.971 -2.293 4.054 1.00 0.13 H new ATOM 0 HD22 LEU A 48 4.123 -0.524 4.170 1.00 0.13 H new ATOM 0 HD23 LEU A 48 3.552 -1.461 5.571 1.00 0.13 H new ATOM 723 N GLN A 49 -0.796 -2.000 3.617 1.00 0.10 N ATOM 724 CA GLN A 49 -1.364 -3.334 3.633 1.00 0.11 C ATOM 725 C GLN A 49 -0.361 -4.326 3.084 1.00 0.10 C ATOM 726 O GLN A 49 0.510 -3.967 2.291 1.00 0.12 O ATOM 727 CB GLN A 49 -2.613 -3.402 2.770 1.00 0.15 C ATOM 728 CG GLN A 49 -3.681 -2.378 3.112 1.00 0.27 C ATOM 729 CD GLN A 49 -4.372 -2.665 4.429 1.00 0.86 C ATOM 730 OE1 GLN A 49 -3.950 -2.194 5.479 1.00 1.49 O ATOM 731 NE2 GLN A 49 -5.444 -3.437 4.377 1.00 1.03 N ATOM 0 H GLN A 49 -0.598 -1.647 2.681 1.00 0.10 H new ATOM 0 HA GLN A 49 -1.619 -3.575 4.665 1.00 0.11 H new ATOM 0 HB2 GLN A 49 -2.324 -3.270 1.727 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -3.044 -4.399 2.858 1.00 0.15 H new ATOM 0 HG2 GLN A 49 -3.228 -1.388 3.154 1.00 0.27 H new ATOM 0 HG3 GLN A 49 -4.424 -2.355 2.315 1.00 0.27 H new ATOM 0 HE21 GLN A 49 -5.762 -3.809 3.482 1.00 1.03 H new ATOM 0 HE22 GLN A 49 -5.953 -3.661 5.232 1.00 1.03 H new ATOM 740 N ALA A 50 -0.505 -5.564 3.495 1.00 0.11 N ATOM 741 CA ALA A 50 0.339 -6.647 3.023 1.00 0.13 C ATOM 742 C ALA A 50 -0.331 -7.983 3.339 1.00 0.18 C ATOM 743 O ALA A 50 -0.968 -8.119 4.382 1.00 0.25 O ATOM 744 CB ALA A 50 1.711 -6.553 3.676 1.00 0.16 C ATOM 0 H ALA A 50 -1.213 -5.854 4.169 1.00 0.11 H new ATOM 0 HA ALA A 50 0.472 -6.572 1.944 1.00 0.13 H new ATOM 0 HB1 ALA A 50 2.341 -7.368 3.319 1.00 0.16 H new ATOM 0 HB2 ALA A 50 2.172 -5.599 3.419 1.00 0.16 H new ATOM 0 HB3 ALA A 50 1.604 -6.625 4.758 1.00 0.16 H new ATOM 750 N THR A 51 -0.220 -8.941 2.423 1.00 0.17 N ATOM 751 CA THR A 51 -0.816 -10.270 2.598 1.00 0.22 C ATOM 752 C THR A 51 -0.416 -10.893 3.934 1.00 0.33 C ATOM 753 O THR A 51 0.769 -11.044 4.246 1.00 0.37 O ATOM 754 CB THR A 51 -0.387 -11.217 1.467 1.00 0.21 C ATOM 755 OG1 THR A 51 1.030 -11.210 1.341 1.00 0.25 O ATOM 756 CG2 THR A 51 -1.005 -10.823 0.136 1.00 0.20 C ATOM 0 H THR A 51 0.281 -8.823 1.543 1.00 0.17 H new ATOM 0 HA THR A 51 -1.897 -10.135 2.576 1.00 0.22 H new ATOM 0 HB THR A 51 -0.739 -12.216 1.726 1.00 0.21 H new ATOM 0 HG1 THR A 51 1.394 -10.417 1.788 1.00 0.25 H new ATOM 0 HG21 THR A 51 -0.677 -11.517 -0.637 1.00 0.20 H new ATOM 0 HG22 THR A 51 -2.092 -10.856 0.216 1.00 0.20 H new ATOM 0 HG23 THR A 51 -0.691 -9.813 -0.126 1.00 0.20 H new ATOM 764 N PRO A 52 -1.429 -11.251 4.728 1.00 0.41 N ATOM 765 CA PRO A 52 -1.267 -11.876 6.043 1.00 0.54 C ATOM 766 C PRO A 52 -0.764 -13.305 5.939 1.00 0.61 C ATOM 767 O PRO A 52 -0.758 -13.883 4.856 1.00 0.58 O ATOM 768 CB PRO A 52 -2.691 -11.869 6.602 1.00 0.64 C ATOM 769 CG PRO A 52 -3.543 -11.923 5.393 1.00 0.60 C ATOM 770 CD PRO A 52 -2.847 -11.077 4.384 1.00 0.45 C ATOM 0 HA PRO A 52 -0.537 -11.352 6.660 1.00 0.54 H new ATOM 0 HB2 PRO A 52 -2.869 -12.723 7.256 1.00 0.64 H new ATOM 0 HB3 PRO A 52 -2.886 -10.972 7.190 1.00 0.64 H new ATOM 0 HG2 PRO A 52 -3.656 -12.947 5.037 1.00 0.60 H new ATOM 0 HG3 PRO A 52 -4.544 -11.545 5.600 1.00 0.60 H new ATOM 0 HD2 PRO A 52 -3.059 -11.406 3.367 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -3.154 -10.033 4.452 1.00 0.45 H new ATOM 778 N ALA A 53 -0.338 -13.871 7.061 1.00 0.73 N ATOM 779 CA ALA A 53 0.053 -15.275 7.105 1.00 0.86 C ATOM 780 C ALA A 53 -1.084 -16.165 6.605 1.00 0.91 C ATOM 781 O ALA A 53 -0.857 -17.248 6.066 1.00 1.00 O ATOM 782 CB ALA A 53 0.448 -15.663 8.520 1.00 1.02 C ATOM 0 H ALA A 53 -0.254 -13.381 7.952 1.00 0.73 H new ATOM 0 HA ALA A 53 0.912 -15.418 6.450 1.00 0.86 H new ATOM 0 HB1 ALA A 53 0.738 -16.713 8.542 1.00 1.02 H new ATOM 0 HB2 ALA A 53 1.287 -15.048 8.845 1.00 1.02 H new ATOM 0 HB3 ALA A 53 -0.398 -15.506 9.190 1.00 1.02 H new ATOM 788 N SER A 54 -2.307 -15.679 6.782 1.00 0.89 N ATOM 789 CA SER A 54 -3.503 -16.376 6.332 1.00 0.98 C ATOM 790 C SER A 54 -3.589 -16.404 4.807 1.00 0.88 C ATOM 791 O SER A 54 -4.217 -17.287 4.218 1.00 0.97 O ATOM 792 CB SER A 54 -4.726 -15.663 6.894 1.00 1.07 C ATOM 793 OG SER A 54 -4.595 -15.451 8.292 1.00 1.58 O ATOM 0 H SER A 54 -2.496 -14.789 7.243 1.00 0.89 H new ATOM 0 HA SER A 54 -3.461 -17.406 6.687 1.00 0.98 H new ATOM 0 HB2 SER A 54 -4.858 -14.706 6.388 1.00 1.07 H new ATOM 0 HB3 SER A 54 -5.620 -16.255 6.695 1.00 1.07 H new ATOM 0 HG SER A 54 -5.392 -14.990 8.629 1.00 1.58 H new ATOM 799 N SER A 55 -2.953 -15.427 4.182 1.00 0.71 N ATOM 800 CA SER A 55 -2.932 -15.318 2.734 1.00 0.61 C ATOM 801 C SER A 55 -1.887 -16.266 2.156 1.00 0.63 C ATOM 802 O SER A 55 -0.826 -16.467 2.749 1.00 0.71 O ATOM 803 CB SER A 55 -2.603 -13.875 2.315 1.00 0.55 C ATOM 804 OG SER A 55 -2.654 -13.726 0.906 1.00 0.54 O ATOM 0 H SER A 55 -2.438 -14.689 4.663 1.00 0.71 H new ATOM 0 HA SER A 55 -3.916 -15.586 2.350 1.00 0.61 H new ATOM 0 HB2 SER A 55 -3.309 -13.188 2.782 1.00 0.55 H new ATOM 0 HB3 SER A 55 -1.610 -13.606 2.676 1.00 0.55 H new ATOM 0 HG SER A 55 -2.920 -12.810 0.683 1.00 0.54 H new ATOM 810 N GLU A 56 -2.193 -16.852 1.006 1.00 0.61 N ATOM 811 CA GLU A 56 -1.233 -17.682 0.299 1.00 0.69 C ATOM 812 C GLU A 56 -0.430 -16.828 -0.661 1.00 0.60 C ATOM 813 O GLU A 56 0.538 -17.282 -1.269 1.00 0.70 O ATOM 814 CB GLU A 56 -1.935 -18.782 -0.470 1.00 0.80 C ATOM 815 CG GLU A 56 -2.656 -19.769 0.418 1.00 1.19 C ATOM 816 CD GLU A 56 -1.750 -20.393 1.461 1.00 2.20 C ATOM 817 OE1 GLU A 56 -0.656 -20.870 1.094 1.00 2.89 O ATOM 818 OE2 GLU A 56 -2.129 -20.405 2.653 1.00 2.66 O ATOM 0 H GLU A 56 -3.099 -16.767 0.545 1.00 0.61 H new ATOM 0 HA GLU A 56 -0.568 -18.139 1.032 1.00 0.69 H new ATOM 0 HB2 GLU A 56 -2.651 -18.334 -1.159 1.00 0.80 H new ATOM 0 HB3 GLU A 56 -1.203 -19.316 -1.075 1.00 0.80 H new ATOM 0 HG2 GLU A 56 -3.483 -19.264 0.917 1.00 1.19 H new ATOM 0 HG3 GLU A 56 -3.089 -20.557 -0.199 1.00 1.19 H new ATOM 825 N LYS A 57 -0.846 -15.581 -0.788 1.00 0.46 N ATOM 826 CA LYS A 57 -0.245 -14.668 -1.739 1.00 0.39 C ATOM 827 C LYS A 57 0.756 -13.773 -1.049 1.00 0.32 C ATOM 828 O LYS A 57 0.975 -13.871 0.157 1.00 0.39 O ATOM 829 CB LYS A 57 -1.317 -13.804 -2.404 1.00 0.41 C ATOM 830 CG LYS A 57 -2.613 -14.539 -2.723 1.00 0.56 C ATOM 831 CD LYS A 57 -2.388 -15.749 -3.601 1.00 0.89 C ATOM 832 CE LYS A 57 -1.702 -15.377 -4.900 1.00 1.84 C ATOM 833 NZ LYS A 57 -1.547 -16.543 -5.803 1.00 2.59 N ATOM 0 H LYS A 57 -1.604 -15.176 -0.239 1.00 0.46 H new ATOM 0 HA LYS A 57 0.263 -15.260 -2.500 1.00 0.39 H new ATOM 0 HB2 LYS A 57 -1.543 -12.961 -1.751 1.00 0.41 H new ATOM 0 HB3 LYS A 57 -0.911 -13.391 -3.328 1.00 0.41 H new ATOM 0 HG2 LYS A 57 -3.089 -14.851 -1.793 1.00 0.56 H new ATOM 0 HG3 LYS A 57 -3.302 -13.856 -3.220 1.00 0.56 H new ATOM 0 HD2 LYS A 57 -1.782 -16.480 -3.066 1.00 0.89 H new ATOM 0 HD3 LYS A 57 -3.344 -16.225 -3.817 1.00 0.89 H new ATOM 0 HE2 LYS A 57 -2.279 -14.602 -5.405 1.00 1.84 H new ATOM 0 HE3 LYS A 57 -0.721 -14.954 -4.683 1.00 1.84 H new ATOM 0 HZ1 LYS A 57 -1.073 -16.243 -6.679 1.00 2.59 H new ATOM 0 HZ2 LYS A 57 -0.975 -17.273 -5.332 1.00 2.59 H new ATOM 0 HZ3 LYS A 57 -2.484 -16.932 -6.032 1.00 2.59 H new ATOM 847 N MET A 58 1.384 -12.927 -1.840 1.00 0.27 N ATOM 848 CA MET A 58 2.324 -11.955 -1.339 1.00 0.25 C ATOM 849 C MET A 58 2.081 -10.635 -2.046 1.00 0.23 C ATOM 850 O MET A 58 2.335 -10.506 -3.243 1.00 0.29 O ATOM 851 CB MET A 58 3.743 -12.446 -1.606 1.00 0.29 C ATOM 852 CG MET A 58 3.795 -13.866 -2.175 1.00 0.42 C ATOM 853 SD MET A 58 3.294 -13.974 -3.905 1.00 1.78 S ATOM 854 CE MET A 58 3.436 -15.738 -4.188 1.00 1.53 C ATOM 0 H MET A 58 1.254 -12.897 -2.851 1.00 0.27 H new ATOM 0 HA MET A 58 2.195 -11.818 -0.265 1.00 0.25 H new ATOM 0 HB2 MET A 58 4.231 -11.765 -2.303 1.00 0.29 H new ATOM 0 HB3 MET A 58 4.312 -12.413 -0.677 1.00 0.29 H new ATOM 0 HG2 MET A 58 4.810 -14.251 -2.075 1.00 0.42 H new ATOM 0 HG3 MET A 58 3.150 -14.511 -1.578 1.00 0.42 H new ATOM 0 HE1 MET A 58 3.159 -15.965 -5.217 1.00 1.53 H new ATOM 0 HE2 MET A 58 4.464 -16.053 -4.011 1.00 1.53 H new ATOM 0 HE3 MET A 58 2.771 -16.270 -3.508 1.00 1.53 H new ATOM 864 N MET A 59 1.570 -9.664 -1.323 1.00 0.20 N ATOM 865 CA MET A 59 1.169 -8.412 -1.939 1.00 0.21 C ATOM 866 C MET A 59 1.140 -7.278 -0.925 1.00 0.18 C ATOM 867 O MET A 59 0.712 -7.468 0.210 1.00 0.26 O ATOM 868 CB MET A 59 -0.208 -8.578 -2.582 1.00 0.27 C ATOM 869 CG MET A 59 -0.253 -8.235 -4.062 1.00 0.64 C ATOM 870 SD MET A 59 -1.884 -8.492 -4.787 1.00 1.30 S ATOM 871 CE MET A 59 -2.116 -10.250 -4.508 1.00 0.62 C ATOM 0 H MET A 59 1.422 -9.712 -0.315 1.00 0.20 H new ATOM 0 HA MET A 59 1.903 -8.155 -2.703 1.00 0.21 H new ATOM 0 HB2 MET A 59 -0.536 -9.609 -2.450 1.00 0.27 H new ATOM 0 HB3 MET A 59 -0.922 -7.946 -2.053 1.00 0.27 H new ATOM 0 HG2 MET A 59 0.041 -7.194 -4.199 1.00 0.64 H new ATOM 0 HG3 MET A 59 0.477 -8.845 -4.594 1.00 0.64 H new ATOM 0 HE1 MET A 59 -2.867 -10.632 -5.200 1.00 0.62 H new ATOM 0 HE2 MET A 59 -1.173 -10.772 -4.671 1.00 0.62 H new ATOM 0 HE3 MET A 59 -2.449 -10.415 -3.483 1.00 0.62 H new ATOM 881 N LEU A 60 1.593 -6.109 -1.343 1.00 0.12 N ATOM 882 CA LEU A 60 1.476 -4.894 -0.529 1.00 0.10 C ATOM 883 C LEU A 60 0.448 -3.928 -1.128 1.00 0.10 C ATOM 884 O LEU A 60 0.110 -4.012 -2.310 1.00 0.13 O ATOM 885 CB LEU A 60 2.805 -4.150 -0.440 1.00 0.13 C ATOM 886 CG LEU A 60 3.599 -4.340 0.847 1.00 0.11 C ATOM 887 CD1 LEU A 60 4.401 -5.618 0.823 1.00 0.12 C ATOM 888 CD2 LEU A 60 4.524 -3.173 1.056 1.00 0.14 C ATOM 0 H LEU A 60 2.049 -5.967 -2.244 1.00 0.12 H new ATOM 0 HA LEU A 60 1.163 -5.218 0.463 1.00 0.10 H new ATOM 0 HB2 LEU A 60 3.429 -4.463 -1.277 1.00 0.13 H new ATOM 0 HB3 LEU A 60 2.611 -3.085 -0.568 1.00 0.13 H new ATOM 0 HG LEU A 60 2.886 -4.401 1.669 1.00 0.11 H new ATOM 0 HD11 LEU A 60 4.953 -5.718 1.757 1.00 0.12 H new ATOM 0 HD12 LEU A 60 3.728 -6.468 0.706 1.00 0.12 H new ATOM 0 HD13 LEU A 60 5.101 -5.592 -0.012 1.00 0.12 H new ATOM 0 HD21 LEU A 60 5.088 -3.316 1.978 1.00 0.14 H new ATOM 0 HD22 LEU A 60 5.214 -3.101 0.216 1.00 0.14 H new ATOM 0 HD23 LEU A 60 3.941 -2.255 1.126 1.00 0.14 H new ATOM 900 N ARG A 61 -0.029 -3.006 -0.304 1.00 0.10 N ATOM 901 CA ARG A 61 -0.883 -1.909 -0.756 1.00 0.11 C ATOM 902 C ARG A 61 -0.743 -0.709 0.180 1.00 0.11 C ATOM 903 O ARG A 61 -1.148 -0.762 1.332 1.00 0.11 O ATOM 904 CB ARG A 61 -2.359 -2.326 -0.838 1.00 0.16 C ATOM 905 CG ARG A 61 -3.253 -1.252 -1.435 1.00 0.32 C ATOM 906 CD ARG A 61 -4.677 -1.344 -0.910 1.00 0.56 C ATOM 907 NE ARG A 61 -5.325 -2.614 -1.211 1.00 1.35 N ATOM 908 CZ ARG A 61 -6.384 -3.079 -0.547 1.00 1.67 C ATOM 909 NH1 ARG A 61 -6.856 -2.413 0.501 1.00 1.46 N ATOM 910 NH2 ARG A 61 -6.967 -4.207 -0.923 1.00 2.72 N ATOM 0 H ARG A 61 0.163 -2.994 0.698 1.00 0.10 H new ATOM 0 HA ARG A 61 -0.554 -1.636 -1.758 1.00 0.11 H new ATOM 0 HB2 ARG A 61 -2.441 -3.232 -1.438 1.00 0.16 H new ATOM 0 HB3 ARG A 61 -2.716 -2.572 0.162 1.00 0.16 H new ATOM 0 HG2 ARG A 61 -2.843 -0.269 -1.204 1.00 0.32 H new ATOM 0 HG3 ARG A 61 -3.259 -1.347 -2.521 1.00 0.32 H new ATOM 0 HD2 ARG A 61 -4.668 -1.196 0.170 1.00 0.56 H new ATOM 0 HD3 ARG A 61 -5.267 -0.533 -1.338 1.00 0.56 H new ATOM 0 HE ARG A 61 -4.948 -3.179 -1.972 1.00 1.35 H new ATOM 0 HH11 ARG A 61 -6.408 -1.546 0.798 1.00 1.46 H new ATOM 0 HH12 ARG A 61 -7.666 -2.769 1.009 1.00 1.46 H new ATOM 0 HH21 ARG A 61 -6.606 -4.725 -1.724 1.00 2.72 H new ATOM 0 HH22 ARG A 61 -7.777 -4.558 -0.411 1.00 2.72 H new ATOM 924 N LEU A 62 -0.184 0.372 -0.331 1.00 0.11 N ATOM 925 CA LEU A 62 0.001 1.591 0.441 1.00 0.11 C ATOM 926 C LEU A 62 -1.179 2.539 0.226 1.00 0.15 C ATOM 927 O LEU A 62 -1.387 3.052 -0.868 1.00 0.19 O ATOM 928 CB LEU A 62 1.341 2.238 0.063 1.00 0.12 C ATOM 929 CG LEU A 62 2.518 1.742 0.909 1.00 0.20 C ATOM 930 CD1 LEU A 62 3.853 1.958 0.222 1.00 0.90 C ATOM 931 CD2 LEU A 62 2.525 2.429 2.259 1.00 0.86 C ATOM 0 H LEU A 62 0.155 0.432 -1.291 1.00 0.11 H new ATOM 0 HA LEU A 62 0.031 1.355 1.505 1.00 0.11 H new ATOM 0 HB2 LEU A 62 1.549 2.037 -0.988 1.00 0.12 H new ATOM 0 HB3 LEU A 62 1.257 3.319 0.170 1.00 0.12 H new ATOM 0 HG LEU A 62 2.382 0.669 1.042 1.00 0.20 H new ATOM 0 HD11 LEU A 62 4.655 1.590 0.862 1.00 0.90 H new ATOM 0 HD12 LEU A 62 3.867 1.417 -0.724 1.00 0.90 H new ATOM 0 HD13 LEU A 62 3.998 3.022 0.034 1.00 0.90 H new ATOM 0 HD21 LEU A 62 3.367 2.066 2.848 1.00 0.86 H new ATOM 0 HD22 LEU A 62 2.618 3.506 2.119 1.00 0.86 H new ATOM 0 HD23 LEU A 62 1.595 2.211 2.783 1.00 0.86 H new ATOM 943 N ILE A 63 -1.940 2.759 1.287 1.00 0.17 N ATOM 944 CA ILE A 63 -3.190 3.518 1.232 1.00 0.23 C ATOM 945 C ILE A 63 -2.917 5.003 1.395 1.00 0.21 C ATOM 946 O ILE A 63 -2.574 5.434 2.480 1.00 0.25 O ATOM 947 CB ILE A 63 -4.135 3.127 2.399 1.00 0.30 C ATOM 948 CG1 ILE A 63 -4.052 1.634 2.727 1.00 0.30 C ATOM 949 CG2 ILE A 63 -5.573 3.521 2.091 1.00 0.40 C ATOM 950 CD1 ILE A 63 -4.480 0.733 1.608 1.00 0.33 C ATOM 0 H ILE A 63 -1.710 2.415 2.219 1.00 0.17 H new ATOM 0 HA ILE A 63 -3.647 3.295 0.268 1.00 0.23 H new ATOM 0 HB ILE A 63 -3.801 3.679 3.278 1.00 0.30 H new ATOM 0 HG12 ILE A 63 -3.026 1.391 3.002 1.00 0.30 H new ATOM 0 HG13 ILE A 63 -4.673 1.430 3.600 1.00 0.30 H new ATOM 0 HG21 ILE A 63 -6.215 3.236 2.925 1.00 0.40 H new ATOM 0 HG22 ILE A 63 -5.631 4.599 1.941 1.00 0.40 H new ATOM 0 HG23 ILE A 63 -5.904 3.010 1.187 1.00 0.40 H new ATOM 0 HD11 ILE A 63 -4.391 -0.307 1.923 1.00 0.33 H new ATOM 0 HD12 ILE A 63 -5.517 0.945 1.346 1.00 0.33 H new ATOM 0 HD13 ILE A 63 -3.844 0.905 0.739 1.00 0.33 H new ATOM 962 N GLY A 64 -3.073 5.784 0.342 1.00 0.27 N ATOM 963 CA GLY A 64 -2.906 7.217 0.479 1.00 0.30 C ATOM 964 C GLY A 64 -4.109 7.852 1.145 1.00 0.35 C ATOM 965 O GLY A 64 -5.242 7.476 0.852 1.00 0.48 O ATOM 0 H GLY A 64 -3.309 5.460 -0.596 1.00 0.27 H new ATOM 0 HA2 GLY A 64 -2.011 7.426 1.065 1.00 0.30 H new ATOM 0 HA3 GLY A 64 -2.755 7.663 -0.504 1.00 0.30 H new ATOM 969 N LYS A 65 -3.860 8.797 2.052 1.00 0.30 N ATOM 970 CA LYS A 65 -4.929 9.488 2.769 1.00 0.33 C ATOM 971 C LYS A 65 -5.940 10.084 1.797 1.00 0.38 C ATOM 972 O LYS A 65 -5.564 10.678 0.780 1.00 0.41 O ATOM 973 CB LYS A 65 -4.374 10.630 3.633 1.00 0.34 C ATOM 974 CG LYS A 65 -3.811 10.215 4.987 1.00 0.36 C ATOM 975 CD LYS A 65 -2.308 10.415 5.063 1.00 0.40 C ATOM 976 CE LYS A 65 -1.824 10.525 6.501 1.00 0.43 C ATOM 977 NZ LYS A 65 -1.908 9.236 7.239 1.00 1.15 N ATOM 0 H LYS A 65 -2.921 9.102 2.308 1.00 0.30 H new ATOM 0 HA LYS A 65 -5.411 8.745 3.404 1.00 0.33 H new ATOM 0 HB2 LYS A 65 -3.589 11.137 3.073 1.00 0.34 H new ATOM 0 HB3 LYS A 65 -5.169 11.357 3.797 1.00 0.34 H new ATOM 0 HG2 LYS A 65 -4.294 10.795 5.774 1.00 0.36 H new ATOM 0 HG3 LYS A 65 -4.047 9.167 5.172 1.00 0.36 H new ATOM 0 HD2 LYS A 65 -1.805 9.581 4.573 1.00 0.40 H new ATOM 0 HD3 LYS A 65 -2.033 11.318 4.517 1.00 0.40 H new ATOM 0 HE2 LYS A 65 -0.792 10.874 6.506 1.00 0.43 H new ATOM 0 HE3 LYS A 65 -2.417 11.276 7.023 1.00 0.43 H new ATOM 0 HZ1 LYS A 65 -1.696 9.397 8.244 1.00 1.15 H new ATOM 0 HZ2 LYS A 65 -2.867 8.844 7.146 1.00 1.15 H new ATOM 0 HZ3 LYS A 65 -1.220 8.564 6.843 1.00 1.15 H new ATOM 991 N VAL A 66 -7.214 9.932 2.109 1.00 0.42 N ATOM 992 CA VAL A 66 -8.264 10.543 1.315 1.00 0.51 C ATOM 993 C VAL A 66 -8.401 12.019 1.681 1.00 0.57 C ATOM 994 O VAL A 66 -7.858 12.472 2.693 1.00 0.61 O ATOM 995 CB VAL A 66 -9.613 9.809 1.503 1.00 0.57 C ATOM 996 CG1 VAL A 66 -10.155 10.000 2.913 1.00 0.58 C ATOM 997 CG2 VAL A 66 -10.636 10.248 0.460 1.00 0.69 C ATOM 0 H VAL A 66 -7.547 9.391 2.907 1.00 0.42 H new ATOM 0 HA VAL A 66 -7.988 10.460 0.264 1.00 0.51 H new ATOM 0 HB VAL A 66 -9.428 8.745 1.358 1.00 0.57 H new ATOM 0 HG11 VAL A 66 -11.103 9.472 3.013 1.00 0.58 H new ATOM 0 HG12 VAL A 66 -9.441 9.603 3.634 1.00 0.58 H new ATOM 0 HG13 VAL A 66 -10.309 11.062 3.103 1.00 0.58 H new ATOM 0 HG21 VAL A 66 -11.572 9.713 0.621 1.00 0.69 H new ATOM 0 HG22 VAL A 66 -10.811 11.320 0.550 1.00 0.69 H new ATOM 0 HG23 VAL A 66 -10.257 10.025 -0.537 1.00 0.69 H new ATOM 1294 N GLN A 85 -7.039 7.080 -2.293 1.00 0.51 N ATOM 1295 CA GLN A 85 -6.258 6.569 -3.413 1.00 0.52 C ATOM 1296 C GLN A 85 -5.094 5.748 -2.897 1.00 0.43 C ATOM 1297 O GLN A 85 -4.192 6.259 -2.241 1.00 0.54 O ATOM 1298 CB GLN A 85 -5.763 7.701 -4.327 1.00 0.62 C ATOM 1299 CG GLN A 85 -6.199 9.098 -3.899 1.00 0.85 C ATOM 1300 CD GLN A 85 -5.265 9.735 -2.883 1.00 0.87 C ATOM 1301 OE1 GLN A 85 -5.161 10.958 -2.805 1.00 1.78 O ATOM 1302 NE2 GLN A 85 -4.565 8.915 -2.118 1.00 0.97 N ATOM 0 HA GLN A 85 -6.907 5.932 -4.014 1.00 0.52 H new ATOM 0 HB2 GLN A 85 -4.674 7.670 -4.365 1.00 0.62 H new ATOM 0 HB3 GLN A 85 -6.122 7.517 -5.339 1.00 0.62 H new ATOM 0 HG2 GLN A 85 -6.258 9.738 -4.779 1.00 0.85 H new ATOM 0 HG3 GLN A 85 -7.202 9.044 -3.476 1.00 0.85 H new ATOM 0 HE21 GLN A 85 -4.680 7.906 -2.213 1.00 0.97 H new ATOM 0 HE22 GLN A 85 -3.910 9.291 -1.433 1.00 0.97 H new ATOM 1311 N ARG A 86 -5.127 4.469 -3.190 1.00 0.31 N ATOM 1312 CA ARG A 86 -4.160 3.544 -2.641 1.00 0.27 C ATOM 1313 C ARG A 86 -3.229 3.046 -3.735 1.00 0.26 C ATOM 1314 O ARG A 86 -3.544 3.135 -4.921 1.00 0.40 O ATOM 1315 CB ARG A 86 -4.874 2.364 -1.981 1.00 0.36 C ATOM 1316 CG ARG A 86 -6.213 2.743 -1.367 1.00 0.72 C ATOM 1317 CD ARG A 86 -7.031 1.520 -0.994 1.00 0.54 C ATOM 1318 NE ARG A 86 -7.287 0.664 -2.150 1.00 1.21 N ATOM 1319 CZ ARG A 86 -8.118 -0.374 -2.149 1.00 1.48 C ATOM 1320 NH1 ARG A 86 -8.815 -0.677 -1.062 1.00 1.48 N ATOM 1321 NH2 ARG A 86 -8.260 -1.104 -3.245 1.00 2.29 N ATOM 0 H ARG A 86 -5.817 4.042 -3.809 1.00 0.31 H new ATOM 0 HA ARG A 86 -3.569 4.064 -1.887 1.00 0.27 H new ATOM 0 HB2 ARG A 86 -5.030 1.581 -2.723 1.00 0.36 H new ATOM 0 HB3 ARG A 86 -4.231 1.946 -1.206 1.00 0.36 H new ATOM 0 HG2 ARG A 86 -6.046 3.352 -0.479 1.00 0.72 H new ATOM 0 HG3 ARG A 86 -6.776 3.355 -2.072 1.00 0.72 H new ATOM 0 HD2 ARG A 86 -6.504 0.950 -0.229 1.00 0.54 H new ATOM 0 HD3 ARG A 86 -7.979 1.836 -0.559 1.00 0.54 H new ATOM 0 HE ARG A 86 -6.794 0.877 -3.017 1.00 1.21 H new ATOM 0 HH11 ARG A 86 -8.716 -0.112 -0.219 1.00 1.48 H new ATOM 0 HH12 ARG A 86 -9.450 -1.475 -1.070 1.00 1.48 H new ATOM 0 HH21 ARG A 86 -7.733 -0.869 -4.086 1.00 2.29 H new ATOM 0 HH22 ARG A 86 -8.897 -1.901 -3.248 1.00 2.29 H new ATOM 1335 N HIS A 87 -2.083 2.532 -3.330 1.00 0.19 N ATOM 1336 CA HIS A 87 -1.076 2.059 -4.261 1.00 0.18 C ATOM 1337 C HIS A 87 -0.733 0.606 -3.953 1.00 0.15 C ATOM 1338 O HIS A 87 -0.137 0.310 -2.924 1.00 0.14 O ATOM 1339 CB HIS A 87 0.173 2.941 -4.145 1.00 0.21 C ATOM 1340 CG HIS A 87 -0.113 4.409 -4.294 1.00 0.28 C ATOM 1341 ND1 HIS A 87 -0.705 4.956 -5.414 1.00 0.41 N ATOM 1342 CD2 HIS A 87 0.076 5.440 -3.433 1.00 0.36 C ATOM 1343 CE1 HIS A 87 -0.867 6.256 -5.234 1.00 0.50 C ATOM 1344 NE2 HIS A 87 -0.403 6.571 -4.041 1.00 0.47 N ATOM 0 H HIS A 87 -1.824 2.431 -2.349 1.00 0.19 H new ATOM 0 HA HIS A 87 -1.459 2.117 -5.280 1.00 0.18 H new ATOM 0 HB2 HIS A 87 0.642 2.767 -3.177 1.00 0.21 H new ATOM 0 HB3 HIS A 87 0.892 2.640 -4.907 1.00 0.21 H new ATOM 0 HD2 HIS A 87 0.521 5.381 -2.451 1.00 0.36 H new ATOM 0 HE1 HIS A 87 -1.305 6.943 -5.943 1.00 0.50 H new ATOM 0 HE2 HIS A 87 -0.401 7.507 -3.635 1.00 0.47 H new ATOM 1353 N MET A 88 -1.098 -0.293 -4.849 1.00 0.16 N ATOM 1354 CA MET A 88 -0.926 -1.724 -4.610 1.00 0.15 C ATOM 1355 C MET A 88 0.133 -2.301 -5.526 1.00 0.20 C ATOM 1356 O MET A 88 0.077 -2.105 -6.743 1.00 0.30 O ATOM 1357 CB MET A 88 -2.243 -2.472 -4.843 1.00 0.20 C ATOM 1358 CG MET A 88 -2.145 -3.968 -4.568 1.00 0.23 C ATOM 1359 SD MET A 88 -3.632 -4.872 -5.041 1.00 0.32 S ATOM 1360 CE MET A 88 -4.852 -4.140 -3.955 1.00 0.42 C ATOM 0 H MET A 88 -1.516 -0.063 -5.750 1.00 0.16 H new ATOM 0 HA MET A 88 -0.613 -1.848 -3.573 1.00 0.15 H new ATOM 0 HB2 MET A 88 -3.015 -2.042 -4.204 1.00 0.20 H new ATOM 0 HB3 MET A 88 -2.562 -2.320 -5.874 1.00 0.20 H new ATOM 0 HG2 MET A 88 -1.291 -4.376 -5.109 1.00 0.23 H new ATOM 0 HG3 MET A 88 -1.954 -4.125 -3.506 1.00 0.23 H new ATOM 0 HE1 MET A 88 -5.244 -4.902 -3.282 1.00 0.42 H new ATOM 0 HE2 MET A 88 -4.389 -3.344 -3.371 1.00 0.42 H new ATOM 0 HE3 MET A 88 -5.667 -3.727 -4.549 1.00 0.42 H new ATOM 1370 N PHE A 89 1.099 -3.012 -4.957 1.00 0.18 N ATOM 1371 CA PHE A 89 2.066 -3.706 -5.763 1.00 0.28 C ATOM 1372 C PHE A 89 1.938 -5.200 -5.506 1.00 0.31 C ATOM 1373 O PHE A 89 1.636 -5.618 -4.388 1.00 0.43 O ATOM 1374 CB PHE A 89 3.474 -3.204 -5.445 1.00 0.34 C ATOM 1375 CG PHE A 89 3.620 -1.713 -5.585 1.00 0.57 C ATOM 1376 CD1 PHE A 89 3.162 -0.867 -4.590 1.00 0.93 C ATOM 1377 CD2 PHE A 89 4.214 -1.161 -6.703 1.00 0.81 C ATOM 1378 CE1 PHE A 89 3.294 0.504 -4.708 1.00 1.26 C ATOM 1379 CE2 PHE A 89 4.347 0.210 -6.826 1.00 1.17 C ATOM 1380 CZ PHE A 89 3.887 1.043 -5.828 1.00 1.33 C ATOM 0 H PHE A 89 1.224 -3.116 -3.950 1.00 0.18 H new ATOM 0 HA PHE A 89 1.881 -3.514 -6.820 1.00 0.28 H new ATOM 0 HB2 PHE A 89 3.734 -3.494 -4.427 1.00 0.34 H new ATOM 0 HB3 PHE A 89 4.186 -3.696 -6.108 1.00 0.34 H new ATOM 0 HD1 PHE A 89 2.695 -1.284 -3.710 1.00 0.93 H new ATOM 0 HD2 PHE A 89 4.578 -1.806 -7.489 1.00 0.81 H new ATOM 0 HE1 PHE A 89 2.933 1.152 -3.923 1.00 1.26 H new ATOM 0 HE2 PHE A 89 4.812 0.629 -7.706 1.00 1.17 H new ATOM 0 HZ PHE A 89 3.991 2.114 -5.924 1.00 1.33 H new ATOM 1390 N SER A 90 2.122 -5.997 -6.536 1.00 0.26 N ATOM 1391 CA SER A 90 2.061 -7.436 -6.398 1.00 0.26 C ATOM 1392 C SER A 90 3.465 -7.989 -6.243 1.00 0.23 C ATOM 1393 O SER A 90 4.342 -7.713 -7.052 1.00 0.24 O ATOM 1394 CB SER A 90 1.367 -8.061 -7.608 1.00 0.28 C ATOM 1395 OG SER A 90 0.097 -7.469 -7.837 1.00 0.94 O ATOM 0 H SER A 90 2.316 -5.671 -7.483 1.00 0.26 H new ATOM 0 HA SER A 90 1.480 -7.686 -5.510 1.00 0.26 H new ATOM 0 HB2 SER A 90 1.993 -7.938 -8.492 1.00 0.28 H new ATOM 0 HB3 SER A 90 1.248 -9.133 -7.448 1.00 0.28 H new ATOM 0 HG SER A 90 -0.323 -7.887 -8.618 1.00 0.94 H new ATOM 1401 N PHE A 91 3.684 -8.743 -5.188 1.00 0.21 N ATOM 1402 CA PHE A 91 5.008 -9.274 -4.904 1.00 0.21 C ATOM 1403 C PHE A 91 5.039 -10.771 -5.185 1.00 0.23 C ATOM 1404 O PHE A 91 3.991 -11.399 -5.328 1.00 0.28 O ATOM 1405 CB PHE A 91 5.383 -8.966 -3.446 1.00 0.30 C ATOM 1406 CG PHE A 91 5.386 -7.484 -3.149 1.00 0.63 C ATOM 1407 CD1 PHE A 91 4.227 -6.731 -3.208 1.00 0.99 C ATOM 1408 CD2 PHE A 91 6.555 -6.851 -2.781 1.00 0.91 C ATOM 1409 CE1 PHE A 91 4.249 -5.378 -2.908 1.00 1.29 C ATOM 1410 CE2 PHE A 91 6.576 -5.511 -2.485 1.00 1.20 C ATOM 1411 CZ PHE A 91 5.357 -4.750 -2.658 1.00 1.33 C ATOM 0 H PHE A 91 2.967 -9.004 -4.511 1.00 0.21 H new ATOM 0 HA PHE A 91 5.744 -8.799 -5.552 1.00 0.21 H new ATOM 0 HB2 PHE A 91 4.679 -9.465 -2.780 1.00 0.30 H new ATOM 0 HB3 PHE A 91 6.370 -9.378 -3.233 1.00 0.30 H new ATOM 0 HD1 PHE A 91 3.297 -7.202 -3.490 1.00 0.99 H new ATOM 0 HD2 PHE A 91 7.471 -7.421 -2.725 1.00 0.91 H new ATOM 0 HE1 PHE A 91 3.318 -4.831 -2.882 1.00 1.29 H new ATOM 0 HE2 PHE A 91 7.479 -5.036 -2.132 1.00 1.20 H new ATOM 0 HZ PHE A 91 5.369 -3.673 -2.580 1.00 1.33 H new ATOM 1421 N ASN A 92 6.235 -11.331 -5.313 1.00 0.31 N ATOM 1422 CA ASN A 92 6.375 -12.740 -5.663 1.00 0.39 C ATOM 1423 C ASN A 92 7.032 -13.516 -4.535 1.00 0.35 C ATOM 1424 O ASN A 92 7.133 -14.743 -4.587 1.00 0.42 O ATOM 1425 CB ASN A 92 7.197 -12.910 -6.950 1.00 0.51 C ATOM 1426 CG ASN A 92 6.464 -12.438 -8.195 1.00 0.80 C ATOM 1427 OD1 ASN A 92 5.234 -12.476 -8.265 1.00 1.53 O ATOM 1428 ND2 ASN A 92 7.218 -12.001 -9.193 1.00 1.27 N ATOM 0 H ASN A 92 7.117 -10.836 -5.181 1.00 0.31 H new ATOM 0 HA ASN A 92 5.373 -13.136 -5.830 1.00 0.39 H new ATOM 0 HB2 ASN A 92 8.130 -12.355 -6.853 1.00 0.51 H new ATOM 0 HB3 ASN A 92 7.462 -13.961 -7.068 1.00 0.51 H new ATOM 0 HD21 ASN A 92 6.783 -11.680 -10.058 1.00 1.27 H new ATOM 0 HD22 ASN A 92 8.233 -11.985 -9.096 1.00 1.27 H new ATOM 1435 N ASN A 93 7.492 -12.803 -3.518 1.00 0.30 N ATOM 1436 CA ASN A 93 8.120 -13.440 -2.377 1.00 0.32 C ATOM 1437 C ASN A 93 7.482 -12.933 -1.092 1.00 0.28 C ATOM 1438 O ASN A 93 7.516 -11.735 -0.799 1.00 0.23 O ATOM 1439 CB ASN A 93 9.622 -13.149 -2.381 1.00 0.37 C ATOM 1440 CG ASN A 93 10.394 -13.962 -1.352 1.00 0.44 C ATOM 1441 OD1 ASN A 93 9.869 -14.334 -0.304 1.00 0.71 O ATOM 1442 ND2 ASN A 93 11.653 -14.232 -1.636 1.00 0.83 N ATOM 0 H ASN A 93 7.441 -11.786 -3.462 1.00 0.30 H new ATOM 0 HA ASN A 93 7.975 -14.519 -2.439 1.00 0.32 H new ATOM 0 HB2 ASN A 93 10.023 -13.356 -3.373 1.00 0.37 H new ATOM 0 HB3 ASN A 93 9.780 -12.088 -2.189 1.00 0.37 H new ATOM 0 HD21 ASN A 93 12.222 -14.764 -0.977 1.00 0.83 H new ATOM 0 HD22 ASN A 93 12.058 -13.909 -2.514 1.00 0.83 H new ATOM 1449 N ARG A 94 6.897 -13.854 -0.333 1.00 0.34 N ATOM 1450 CA ARG A 94 6.213 -13.516 0.910 1.00 0.37 C ATOM 1451 C ARG A 94 7.173 -12.891 1.916 1.00 0.30 C ATOM 1452 O ARG A 94 6.775 -12.063 2.730 1.00 0.27 O ATOM 1453 CB ARG A 94 5.552 -14.760 1.510 1.00 0.57 C ATOM 1454 CG ARG A 94 4.892 -14.505 2.846 1.00 0.90 C ATOM 1455 CD ARG A 94 3.602 -13.729 2.680 1.00 0.71 C ATOM 1456 NE ARG A 94 3.170 -13.121 3.937 1.00 0.99 N ATOM 1457 CZ ARG A 94 2.847 -13.808 5.032 1.00 1.35 C ATOM 1458 NH1 ARG A 94 2.752 -15.133 4.992 1.00 2.16 N ATOM 1459 NH2 ARG A 94 2.586 -13.160 6.159 1.00 1.70 N ATOM 0 H ARG A 94 6.883 -14.848 -0.560 1.00 0.34 H new ATOM 0 HA ARG A 94 5.441 -12.782 0.679 1.00 0.37 H new ATOM 0 HB2 ARG A 94 4.806 -15.139 0.811 1.00 0.57 H new ATOM 0 HB3 ARG A 94 6.304 -15.541 1.628 1.00 0.57 H new ATOM 0 HG2 ARG A 94 4.687 -15.454 3.341 1.00 0.90 H new ATOM 0 HG3 ARG A 94 5.573 -13.950 3.491 1.00 0.90 H new ATOM 0 HD2 ARG A 94 3.739 -12.952 1.928 1.00 0.71 H new ATOM 0 HD3 ARG A 94 2.822 -14.395 2.311 1.00 0.71 H new ATOM 0 HE ARG A 94 3.112 -12.104 3.979 1.00 0.99 H new ATOM 0 HH11 ARG A 94 2.927 -15.631 4.119 1.00 2.16 H new ATOM 0 HH12 ARG A 94 2.504 -15.652 5.834 1.00 2.16 H new ATOM 0 HH21 ARG A 94 2.633 -12.141 6.184 1.00 1.70 H new ATOM 0 HH22 ARG A 94 2.338 -13.680 7.001 1.00 1.70 H new ATOM 1473 N THR A 95 8.439 -13.264 1.833 1.00 0.30 N ATOM 1474 CA THR A 95 9.437 -12.745 2.747 1.00 0.27 C ATOM 1475 C THR A 95 9.781 -11.302 2.399 1.00 0.21 C ATOM 1476 O THR A 95 9.833 -10.433 3.265 1.00 0.18 O ATOM 1477 CB THR A 95 10.711 -13.602 2.715 1.00 0.32 C ATOM 1478 OG1 THR A 95 10.433 -14.914 3.230 1.00 0.40 O ATOM 1479 CG2 THR A 95 11.816 -12.943 3.516 1.00 0.32 C ATOM 0 H THR A 95 8.798 -13.923 1.142 1.00 0.30 H new ATOM 0 HA THR A 95 9.018 -12.780 3.753 1.00 0.27 H new ATOM 0 HB THR A 95 11.046 -13.693 1.682 1.00 0.32 H new ATOM 0 HG1 THR A 95 11.250 -15.455 3.205 1.00 0.40 H new ATOM 0 HG21 THR A 95 12.711 -13.565 3.482 1.00 0.32 H new ATOM 0 HG22 THR A 95 12.038 -11.964 3.092 1.00 0.32 H new ATOM 0 HG23 THR A 95 11.495 -12.826 4.551 1.00 0.32 H new ATOM 1487 N VAL A 96 10.014 -11.062 1.121 1.00 0.23 N ATOM 1488 CA VAL A 96 10.305 -9.723 0.631 1.00 0.21 C ATOM 1489 C VAL A 96 9.172 -8.772 0.909 1.00 0.19 C ATOM 1490 O VAL A 96 9.374 -7.714 1.482 1.00 0.19 O ATOM 1491 CB VAL A 96 10.565 -9.718 -0.881 1.00 0.25 C ATOM 1492 CG1 VAL A 96 10.857 -8.303 -1.359 1.00 0.28 C ATOM 1493 CG2 VAL A 96 11.719 -10.642 -1.218 1.00 0.29 C ATOM 0 H VAL A 96 10.008 -11.781 0.398 1.00 0.23 H new ATOM 0 HA VAL A 96 11.200 -9.397 1.161 1.00 0.21 H new ATOM 0 HB VAL A 96 9.673 -10.079 -1.393 1.00 0.25 H new ATOM 0 HG11 VAL A 96 11.040 -8.312 -2.434 1.00 0.28 H new ATOM 0 HG12 VAL A 96 10.003 -7.662 -1.142 1.00 0.28 H new ATOM 0 HG13 VAL A 96 11.738 -7.920 -0.844 1.00 0.28 H new ATOM 0 HG21 VAL A 96 11.893 -10.629 -2.294 1.00 0.29 H new ATOM 0 HG22 VAL A 96 12.618 -10.305 -0.701 1.00 0.29 H new ATOM 0 HG23 VAL A 96 11.477 -11.657 -0.902 1.00 0.29 H new ATOM 1503 N MET A 97 7.981 -9.139 0.506 1.00 0.19 N ATOM 1504 CA MET A 97 6.849 -8.284 0.742 1.00 0.19 C ATOM 1505 C MET A 97 6.669 -8.070 2.241 1.00 0.17 C ATOM 1506 O MET A 97 6.161 -7.046 2.674 1.00 0.19 O ATOM 1507 CB MET A 97 5.617 -8.891 0.101 1.00 0.21 C ATOM 1508 CG MET A 97 5.065 -10.095 0.830 1.00 0.22 C ATOM 1509 SD MET A 97 3.434 -9.803 1.533 1.00 0.29 S ATOM 1510 CE MET A 97 3.840 -9.310 3.199 1.00 0.17 C ATOM 0 H MET A 97 7.773 -10.011 0.020 1.00 0.19 H new ATOM 0 HA MET A 97 7.013 -7.306 0.289 1.00 0.19 H new ATOM 0 HB2 MET A 97 4.840 -8.129 0.042 1.00 0.21 H new ATOM 0 HB3 MET A 97 5.859 -9.180 -0.922 1.00 0.21 H new ATOM 0 HG2 MET A 97 5.012 -10.938 0.141 1.00 0.22 H new ATOM 0 HG3 MET A 97 5.753 -10.378 1.627 1.00 0.22 H new ATOM 0 HE1 MET A 97 2.958 -9.407 3.832 1.00 0.17 H new ATOM 0 HE2 MET A 97 4.635 -9.949 3.584 1.00 0.17 H new ATOM 0 HE3 MET A 97 4.175 -8.273 3.200 1.00 0.17 H new ATOM 1520 N ASP A 98 7.136 -9.025 3.035 1.00 0.16 N ATOM 1521 CA ASP A 98 7.097 -8.892 4.480 1.00 0.16 C ATOM 1522 C ASP A 98 8.089 -7.837 4.928 1.00 0.15 C ATOM 1523 O ASP A 98 7.791 -7.001 5.783 1.00 0.22 O ATOM 1524 CB ASP A 98 7.450 -10.214 5.146 1.00 0.21 C ATOM 1525 CG ASP A 98 7.393 -10.123 6.657 1.00 0.30 C ATOM 1526 OD1 ASP A 98 6.281 -9.934 7.203 1.00 0.38 O ATOM 1527 OD2 ASP A 98 8.454 -10.242 7.304 1.00 0.39 O ATOM 0 H ASP A 98 7.545 -9.898 2.701 1.00 0.16 H new ATOM 0 HA ASP A 98 6.088 -8.600 4.770 1.00 0.16 H new ATOM 0 HB2 ASP A 98 6.762 -10.987 4.803 1.00 0.21 H new ATOM 0 HB3 ASP A 98 8.451 -10.519 4.839 1.00 0.21 H new ATOM 1532 N ASN A 99 9.257 -7.868 4.310 1.00 0.12 N ATOM 1533 CA ASN A 99 10.361 -7.010 4.712 1.00 0.13 C ATOM 1534 C ASN A 99 10.191 -5.608 4.148 1.00 0.15 C ATOM 1535 O ASN A 99 10.618 -4.624 4.749 1.00 0.24 O ATOM 1536 CB ASN A 99 11.709 -7.660 4.338 1.00 0.22 C ATOM 1537 CG ASN A 99 12.002 -7.856 2.874 1.00 0.71 C ATOM 1538 OD1 ASN A 99 11.888 -6.958 2.045 1.00 1.55 O ATOM 1539 ND2 ASN A 99 12.422 -9.072 2.565 1.00 0.50 N ATOM 0 H ASN A 99 9.467 -8.482 3.523 1.00 0.12 H new ATOM 0 HA ASN A 99 10.357 -6.901 5.797 1.00 0.13 H new ATOM 0 HB2 ASN A 99 12.506 -7.050 4.762 1.00 0.22 H new ATOM 0 HB3 ASN A 99 11.760 -8.634 4.825 1.00 0.22 H new ATOM 0 HD21 ASN A 99 12.668 -9.297 1.601 1.00 0.50 H new ATOM 0 HD22 ASN A 99 12.500 -9.784 3.291 1.00 0.50 H new ATOM 1546 N ILE A 100 9.535 -5.534 3.011 1.00 0.12 N ATOM 1547 CA ILE A 100 9.079 -4.268 2.448 1.00 0.12 C ATOM 1548 C ILE A 100 7.985 -3.665 3.328 1.00 0.11 C ATOM 1549 O ILE A 100 8.082 -2.518 3.768 1.00 0.13 O ATOM 1550 CB ILE A 100 8.508 -4.485 1.028 1.00 0.11 C ATOM 1551 CG1 ILE A 100 9.611 -4.908 0.071 1.00 0.13 C ATOM 1552 CG2 ILE A 100 7.829 -3.228 0.509 1.00 0.12 C ATOM 1553 CD1 ILE A 100 10.640 -3.830 -0.139 1.00 0.11 C ATOM 0 H ILE A 100 9.299 -6.348 2.444 1.00 0.12 H new ATOM 0 HA ILE A 100 9.932 -3.591 2.400 1.00 0.12 H new ATOM 0 HB ILE A 100 7.762 -5.278 1.088 1.00 0.11 H new ATOM 0 HG12 ILE A 100 10.100 -5.802 0.459 1.00 0.13 H new ATOM 0 HG13 ILE A 100 9.171 -5.177 -0.889 1.00 0.13 H new ATOM 0 HG21 ILE A 100 7.438 -3.412 -0.492 1.00 0.12 H new ATOM 0 HG22 ILE A 100 7.010 -2.956 1.174 1.00 0.12 H new ATOM 0 HG23 ILE A 100 8.552 -2.413 0.471 1.00 0.12 H new ATOM 0 HD11 ILE A 100 11.404 -4.186 -0.831 1.00 0.11 H new ATOM 0 HD12 ILE A 100 10.159 -2.944 -0.554 1.00 0.11 H new ATOM 0 HD13 ILE A 100 11.103 -3.579 0.815 1.00 0.11 H new ATOM 1565 N LYS A 101 6.948 -4.462 3.582 1.00 0.11 N ATOM 1566 CA LYS A 101 5.814 -4.039 4.390 1.00 0.12 C ATOM 1567 C LYS A 101 6.266 -3.533 5.762 1.00 0.11 C ATOM 1568 O LYS A 101 5.856 -2.458 6.202 1.00 0.14 O ATOM 1569 CB LYS A 101 4.836 -5.206 4.560 1.00 0.18 C ATOM 1570 CG LYS A 101 3.844 -5.038 5.700 1.00 0.89 C ATOM 1571 CD LYS A 101 3.683 -6.328 6.497 1.00 0.75 C ATOM 1572 CE LYS A 101 4.826 -6.519 7.482 1.00 0.42 C ATOM 1573 NZ LYS A 101 4.798 -7.855 8.138 1.00 1.11 N ATOM 0 H LYS A 101 6.874 -5.417 3.232 1.00 0.11 H new ATOM 0 HA LYS A 101 5.317 -3.217 3.875 1.00 0.12 H new ATOM 0 HB2 LYS A 101 4.282 -5.338 3.630 1.00 0.18 H new ATOM 0 HB3 LYS A 101 5.406 -6.120 4.724 1.00 0.18 H new ATOM 0 HG2 LYS A 101 4.181 -4.240 6.362 1.00 0.89 H new ATOM 0 HG3 LYS A 101 2.877 -4.733 5.300 1.00 0.89 H new ATOM 0 HD2 LYS A 101 2.736 -6.308 7.036 1.00 0.75 H new ATOM 0 HD3 LYS A 101 3.644 -7.177 5.814 1.00 0.75 H new ATOM 0 HE2 LYS A 101 5.775 -6.394 6.961 1.00 0.42 H new ATOM 0 HE3 LYS A 101 4.777 -5.742 8.245 1.00 0.42 H new ATOM 0 HZ1 LYS A 101 5.016 -7.750 9.149 1.00 1.11 H new ATOM 0 HZ2 LYS A 101 3.853 -8.275 8.030 1.00 1.11 H new ATOM 0 HZ3 LYS A 101 5.505 -8.475 7.694 1.00 1.11 H new ATOM 1587 N MET A 102 7.121 -4.305 6.430 1.00 0.09 N ATOM 1588 CA MET A 102 7.568 -3.958 7.777 1.00 0.09 C ATOM 1589 C MET A 102 8.396 -2.680 7.754 1.00 0.09 C ATOM 1590 O MET A 102 8.460 -1.953 8.740 1.00 0.12 O ATOM 1591 CB MET A 102 8.362 -5.114 8.410 1.00 0.10 C ATOM 1592 CG MET A 102 9.733 -5.363 7.792 1.00 0.16 C ATOM 1593 SD MET A 102 11.026 -4.291 8.450 1.00 0.88 S ATOM 1594 CE MET A 102 11.089 -4.850 10.148 1.00 1.17 C ATOM 0 H MET A 102 7.516 -5.171 6.063 1.00 0.09 H new ATOM 0 HA MET A 102 6.686 -3.783 8.392 1.00 0.09 H new ATOM 0 HB2 MET A 102 8.490 -4.909 9.473 1.00 0.10 H new ATOM 0 HB3 MET A 102 7.772 -6.027 8.331 1.00 0.10 H new ATOM 0 HG2 MET A 102 10.014 -6.403 7.959 1.00 0.16 H new ATOM 0 HG3 MET A 102 9.668 -5.220 6.713 1.00 0.16 H new ATOM 0 HE1 MET A 102 12.080 -4.657 10.558 1.00 1.17 H new ATOM 0 HE2 MET A 102 10.343 -4.315 10.735 1.00 1.17 H new ATOM 0 HE3 MET A 102 10.883 -5.920 10.187 1.00 1.17 H new ATOM 1604 N THR A 103 9.016 -2.408 6.616 1.00 0.08 N ATOM 1605 CA THR A 103 9.788 -1.198 6.431 1.00 0.08 C ATOM 1606 C THR A 103 8.873 0.017 6.421 1.00 0.08 C ATOM 1607 O THR A 103 9.098 0.991 7.140 1.00 0.09 O ATOM 1608 CB THR A 103 10.572 -1.258 5.109 1.00 0.10 C ATOM 1609 OG1 THR A 103 11.613 -2.235 5.202 1.00 0.15 O ATOM 1610 CG2 THR A 103 11.165 0.083 4.752 1.00 0.11 C ATOM 0 H THR A 103 8.996 -3.020 5.800 1.00 0.08 H new ATOM 0 HA THR A 103 10.490 -1.112 7.260 1.00 0.08 H new ATOM 0 HB THR A 103 9.873 -1.538 4.321 1.00 0.10 H new ATOM 0 HG1 THR A 103 11.241 -3.126 5.035 1.00 0.15 H new ATOM 0 HG21 THR A 103 11.711 0.001 3.812 1.00 0.11 H new ATOM 0 HG22 THR A 103 10.366 0.817 4.644 1.00 0.11 H new ATOM 0 HG23 THR A 103 11.846 0.401 5.541 1.00 0.11 H new ATOM 1618 N LEU A 104 7.827 -0.068 5.618 1.00 0.08 N ATOM 1619 CA LEU A 104 6.920 1.045 5.429 1.00 0.09 C ATOM 1620 C LEU A 104 6.109 1.308 6.681 1.00 0.11 C ATOM 1621 O LEU A 104 6.128 2.410 7.206 1.00 0.13 O ATOM 1622 CB LEU A 104 5.974 0.767 4.262 1.00 0.09 C ATOM 1623 CG LEU A 104 6.641 0.471 2.917 1.00 0.09 C ATOM 1624 CD1 LEU A 104 5.755 -0.385 2.053 1.00 0.11 C ATOM 1625 CD2 LEU A 104 6.954 1.749 2.190 1.00 0.11 C ATOM 0 H LEU A 104 7.586 -0.903 5.084 1.00 0.08 H new ATOM 0 HA LEU A 104 7.520 1.928 5.209 1.00 0.09 H new ATOM 0 HB2 LEU A 104 5.341 -0.080 4.526 1.00 0.09 H new ATOM 0 HB3 LEU A 104 5.318 1.628 4.138 1.00 0.09 H new ATOM 0 HG LEU A 104 7.567 -0.067 3.120 1.00 0.09 H new ATOM 0 HD11 LEU A 104 6.252 -0.581 1.103 1.00 0.11 H new ATOM 0 HD12 LEU A 104 5.556 -1.329 2.559 1.00 0.11 H new ATOM 0 HD13 LEU A 104 4.814 0.134 1.870 1.00 0.11 H new ATOM 0 HD21 LEU A 104 7.428 1.518 1.236 1.00 0.11 H new ATOM 0 HD22 LEU A 104 6.032 2.302 2.013 1.00 0.11 H new ATOM 0 HD23 LEU A 104 7.630 2.355 2.794 1.00 0.11 H new ATOM 1637 N GLN A 105 5.387 0.294 7.139 1.00 0.12 N ATOM 1638 CA GLN A 105 4.547 0.411 8.337 1.00 0.18 C ATOM 1639 C GLN A 105 5.310 0.988 9.521 1.00 0.18 C ATOM 1640 O GLN A 105 4.716 1.640 10.378 1.00 0.22 O ATOM 1641 CB GLN A 105 3.946 -0.939 8.721 1.00 0.28 C ATOM 1642 CG GLN A 105 3.060 -1.511 7.640 1.00 0.39 C ATOM 1643 CD GLN A 105 2.539 -2.896 7.940 1.00 0.64 C ATOM 1644 OE1 GLN A 105 3.156 -3.666 8.674 1.00 1.45 O ATOM 1645 NE2 GLN A 105 1.415 -3.235 7.327 1.00 0.99 N ATOM 0 H GLN A 105 5.362 -0.626 6.700 1.00 0.12 H new ATOM 0 HA GLN A 105 3.743 1.103 8.085 1.00 0.18 H new ATOM 0 HB2 GLN A 105 4.751 -1.642 8.936 1.00 0.28 H new ATOM 0 HB3 GLN A 105 3.367 -0.827 9.638 1.00 0.28 H new ATOM 0 HG2 GLN A 105 2.214 -0.841 7.486 1.00 0.39 H new ATOM 0 HG3 GLN A 105 3.618 -1.539 6.704 1.00 0.39 H new ATOM 0 HE21 GLN A 105 0.938 -2.562 6.727 1.00 0.99 H new ATOM 0 HE22 GLN A 105 1.026 -4.169 7.455 1.00 0.99 H new ATOM 1654 N GLN A 106 6.622 0.770 9.560 1.00 0.17 N ATOM 1655 CA GLN A 106 7.449 1.345 10.599 1.00 0.20 C ATOM 1656 C GLN A 106 7.400 2.854 10.484 1.00 0.20 C ATOM 1657 O GLN A 106 7.127 3.565 11.443 1.00 0.36 O ATOM 1658 CB GLN A 106 8.879 0.869 10.445 1.00 0.25 C ATOM 1659 CG GLN A 106 9.220 -0.366 11.256 1.00 0.30 C ATOM 1660 CD GLN A 106 10.672 -0.762 11.097 1.00 0.38 C ATOM 1661 OE1 GLN A 106 11.537 -0.328 11.858 1.00 0.65 O ATOM 1662 NE2 GLN A 106 10.954 -1.581 10.101 1.00 0.47 N ATOM 0 H GLN A 106 7.128 0.200 8.882 1.00 0.17 H new ATOM 0 HA GLN A 106 7.078 1.034 11.576 1.00 0.20 H new ATOM 0 HB2 GLN A 106 9.068 0.661 9.392 1.00 0.25 H new ATOM 0 HB3 GLN A 106 9.551 1.676 10.736 1.00 0.25 H new ATOM 0 HG2 GLN A 106 9.008 -0.179 12.309 1.00 0.30 H new ATOM 0 HG3 GLN A 106 8.582 -1.193 10.944 1.00 0.30 H new ATOM 0 HE21 GLN A 106 10.209 -1.919 9.492 1.00 0.47 H new ATOM 0 HE22 GLN A 106 11.917 -1.876 9.940 1.00 0.47 H new ATOM 1671 N ILE A 107 7.630 3.305 9.266 1.00 0.13 N ATOM 1672 CA ILE A 107 7.561 4.707 8.899 1.00 0.13 C ATOM 1673 C ILE A 107 6.168 5.258 9.159 1.00 0.14 C ATOM 1674 O ILE A 107 6.005 6.341 9.709 1.00 0.17 O ATOM 1675 CB ILE A 107 7.868 4.843 7.396 1.00 0.13 C ATOM 1676 CG1 ILE A 107 9.246 4.254 7.075 1.00 0.13 C ATOM 1677 CG2 ILE A 107 7.765 6.290 6.962 1.00 0.16 C ATOM 1678 CD1 ILE A 107 9.478 3.986 5.604 1.00 0.14 C ATOM 0 H ILE A 107 7.875 2.694 8.487 1.00 0.13 H new ATOM 0 HA ILE A 107 8.284 5.264 9.495 1.00 0.13 H new ATOM 0 HB ILE A 107 7.127 4.276 6.833 1.00 0.13 H new ATOM 0 HG12 ILE A 107 10.014 4.939 7.434 1.00 0.13 H new ATOM 0 HG13 ILE A 107 9.368 3.322 7.626 1.00 0.13 H new ATOM 0 HG21 ILE A 107 7.985 6.367 5.897 1.00 0.16 H new ATOM 0 HG22 ILE A 107 6.756 6.656 7.151 1.00 0.16 H new ATOM 0 HG23 ILE A 107 8.480 6.890 7.525 1.00 0.16 H new ATOM 0 HD11 ILE A 107 10.476 3.570 5.463 1.00 0.14 H new ATOM 0 HD12 ILE A 107 8.735 3.276 5.242 1.00 0.14 H new ATOM 0 HD13 ILE A 107 9.391 4.918 5.046 1.00 0.14 H new ATOM 1690 N ILE A 108 5.168 4.494 8.763 1.00 0.13 N ATOM 1691 CA ILE A 108 3.785 4.917 8.889 1.00 0.17 C ATOM 1692 C ILE A 108 3.422 5.115 10.353 1.00 0.23 C ATOM 1693 O ILE A 108 3.000 6.198 10.746 1.00 0.29 O ATOM 1694 CB ILE A 108 2.856 3.887 8.221 1.00 0.19 C ATOM 1695 CG1 ILE A 108 3.470 3.512 6.870 1.00 0.18 C ATOM 1696 CG2 ILE A 108 1.433 4.416 8.084 1.00 0.26 C ATOM 1697 CD1 ILE A 108 2.493 3.180 5.772 1.00 0.15 C ATOM 0 H ILE A 108 5.289 3.570 8.348 1.00 0.13 H new ATOM 0 HA ILE A 108 3.658 5.873 8.381 1.00 0.17 H new ATOM 0 HB ILE A 108 2.774 2.996 8.843 1.00 0.19 H new ATOM 0 HG12 ILE A 108 4.096 4.339 6.535 1.00 0.18 H new ATOM 0 HG13 ILE A 108 4.127 2.655 7.017 1.00 0.18 H new ATOM 0 HG21 ILE A 108 0.808 3.660 7.608 1.00 0.26 H new ATOM 0 HG22 ILE A 108 1.034 4.647 9.072 1.00 0.26 H new ATOM 0 HG23 ILE A 108 1.438 5.319 7.474 1.00 0.26 H new ATOM 0 HD11 ILE A 108 3.039 2.930 4.862 1.00 0.15 H new ATOM 0 HD12 ILE A 108 1.882 2.329 6.074 1.00 0.15 H new ATOM 0 HD13 ILE A 108 1.850 4.040 5.584 1.00 0.15 H new ATOM 1709 N SER A 109 3.621 4.083 11.164 1.00 0.28 N ATOM 1710 CA SER A 109 3.397 4.186 12.605 1.00 0.37 C ATOM 1711 C SER A 109 4.279 5.276 13.220 1.00 0.37 C ATOM 1712 O SER A 109 3.930 5.875 14.236 1.00 0.43 O ATOM 1713 CB SER A 109 3.671 2.843 13.271 1.00 0.45 C ATOM 1714 OG SER A 109 2.801 1.846 12.763 1.00 1.22 O ATOM 0 H SER A 109 3.937 3.165 10.851 1.00 0.28 H new ATOM 0 HA SER A 109 2.356 4.461 12.773 1.00 0.37 H new ATOM 0 HB2 SER A 109 4.707 2.551 13.099 1.00 0.45 H new ATOM 0 HB3 SER A 109 3.540 2.932 14.349 1.00 0.45 H new ATOM 0 HG SER A 109 3.153 1.506 11.914 1.00 1.22 H new ATOM 1720 N ARG A 110 5.408 5.541 12.573 1.00 0.33 N ATOM 1721 CA ARG A 110 6.323 6.593 12.990 1.00 0.35 C ATOM 1722 C ARG A 110 5.699 7.955 12.752 1.00 0.38 C ATOM 1723 O ARG A 110 5.909 8.895 13.518 1.00 0.48 O ATOM 1724 CB ARG A 110 7.633 6.468 12.216 1.00 0.34 C ATOM 1725 CG ARG A 110 8.704 5.710 12.942 1.00 1.27 C ATOM 1726 CD ARG A 110 9.955 5.646 12.098 1.00 1.25 C ATOM 1727 NE ARG A 110 11.063 4.999 12.792 1.00 2.39 N ATOM 1728 CZ ARG A 110 12.296 4.903 12.299 1.00 2.70 C ATOM 1729 NH1 ARG A 110 12.584 5.423 11.107 1.00 1.97 N ATOM 1730 NH2 ARG A 110 13.238 4.289 13.002 1.00 3.79 N ATOM 0 H ARG A 110 5.714 5.031 11.744 1.00 0.33 H new ATOM 0 HA ARG A 110 6.527 6.489 14.056 1.00 0.35 H new ATOM 0 HB2 ARG A 110 7.435 5.974 11.265 1.00 0.34 H new ATOM 0 HB3 ARG A 110 8.003 7.467 11.985 1.00 0.34 H new ATOM 0 HG2 ARG A 110 8.922 6.194 13.894 1.00 1.27 H new ATOM 0 HG3 ARG A 110 8.357 4.702 13.169 1.00 1.27 H new ATOM 0 HD2 ARG A 110 9.741 5.104 11.177 1.00 1.25 H new ATOM 0 HD3 ARG A 110 10.249 6.656 11.812 1.00 1.25 H new ATOM 0 HE ARG A 110 10.882 4.595 13.711 1.00 2.39 H new ATOM 0 HH11 ARG A 110 11.859 5.897 10.569 1.00 1.97 H new ATOM 0 HH12 ARG A 110 13.530 5.347 10.733 1.00 1.97 H new ATOM 0 HH21 ARG A 110 13.016 3.893 13.916 1.00 3.79 H new ATOM 0 HH22 ARG A 110 14.184 4.213 12.629 1.00 3.79 H new ATOM 1744 N TYR A 111 4.915 8.046 11.693 1.00 0.34 N ATOM 1745 CA TYR A 111 4.262 9.288 11.342 1.00 0.41 C ATOM 1746 C TYR A 111 2.937 9.437 12.071 1.00 0.49 C ATOM 1747 O TYR A 111 2.498 10.550 12.348 1.00 0.60 O ATOM 1748 CB TYR A 111 4.080 9.398 9.832 1.00 0.37 C ATOM 1749 CG TYR A 111 5.318 9.928 9.155 1.00 0.38 C ATOM 1750 CD1 TYR A 111 5.668 11.270 9.232 1.00 0.48 C ATOM 1751 CD2 TYR A 111 6.148 9.078 8.464 1.00 0.34 C ATOM 1752 CE1 TYR A 111 6.820 11.740 8.627 1.00 0.53 C ATOM 1753 CE2 TYR A 111 7.303 9.532 7.861 1.00 0.40 C ATOM 1754 CZ TYR A 111 7.635 10.864 7.944 1.00 0.48 C ATOM 1755 OH TYR A 111 8.788 11.321 7.345 1.00 0.55 O ATOM 0 H TYR A 111 4.716 7.270 11.061 1.00 0.34 H new ATOM 0 HA TYR A 111 4.905 10.108 11.661 1.00 0.41 H new ATOM 0 HB2 TYR A 111 3.834 8.418 9.423 1.00 0.37 H new ATOM 0 HB3 TYR A 111 3.238 10.055 9.615 1.00 0.37 H new ATOM 0 HD1 TYR A 111 5.032 11.956 9.772 1.00 0.48 H new ATOM 0 HD2 TYR A 111 5.890 8.032 8.391 1.00 0.34 H new ATOM 0 HE1 TYR A 111 7.079 12.787 8.690 1.00 0.53 H new ATOM 0 HE2 TYR A 111 7.943 8.845 7.327 1.00 0.40 H new ATOM 0 HH TYR A 111 9.362 10.560 7.118 1.00 0.55 H new ATOM 2059 N PHE B 261 -5.395 -8.381 2.425 1.00 0.48 N ATOM 2060 CA PHE B 261 -4.152 -8.086 3.112 1.00 0.48 C ATOM 2061 C PHE B 261 -4.447 -7.736 4.567 1.00 0.66 C ATOM 2062 O PHE B 261 -5.605 -7.726 4.982 1.00 0.95 O ATOM 2063 CB PHE B 261 -3.443 -6.895 2.458 1.00 0.50 C ATOM 2064 CG PHE B 261 -3.335 -6.956 0.957 1.00 0.46 C ATOM 2065 CD1 PHE B 261 -3.205 -8.162 0.290 1.00 0.44 C ATOM 2066 CD2 PHE B 261 -3.372 -5.791 0.215 1.00 0.67 C ATOM 2067 CE1 PHE B 261 -3.118 -8.203 -1.086 1.00 0.51 C ATOM 2068 CE2 PHE B 261 -3.284 -5.825 -1.160 1.00 0.75 C ATOM 2069 CZ PHE B 261 -3.158 -7.031 -1.812 1.00 0.62 C ATOM 0 HA PHE B 261 -3.509 -8.964 3.053 1.00 0.48 H new ATOM 0 HB2 PHE B 261 -3.973 -5.983 2.731 1.00 0.50 H new ATOM 0 HB3 PHE B 261 -2.439 -6.817 2.875 1.00 0.50 H new ATOM 0 HD1 PHE B 261 -3.171 -9.082 0.854 1.00 0.44 H new ATOM 0 HD2 PHE B 261 -3.471 -4.841 0.719 1.00 0.67 H new ATOM 0 HE1 PHE B 261 -3.019 -9.151 -1.594 1.00 0.51 H new ATOM 0 HE2 PHE B 261 -3.314 -4.906 -1.726 1.00 0.75 H new ATOM 0 HZ PHE B 261 -3.091 -7.059 -2.890 1.00 0.62 H new ATOM 2079 N VAL B 262 -3.404 -7.450 5.330 1.00 0.55 N ATOM 2080 CA VAL B 262 -3.558 -6.967 6.693 1.00 0.67 C ATOM 2081 C VAL B 262 -2.500 -5.902 6.983 1.00 0.54 C ATOM 2082 O VAL B 262 -1.419 -5.918 6.387 1.00 0.50 O ATOM 2083 CB VAL B 262 -3.443 -8.121 7.723 1.00 0.84 C ATOM 2084 CG1 VAL B 262 -2.016 -8.648 7.804 1.00 1.37 C ATOM 2085 CG2 VAL B 262 -3.935 -7.680 9.095 1.00 1.14 C ATOM 0 H VAL B 262 -2.435 -7.545 5.026 1.00 0.55 H new ATOM 0 HA VAL B 262 -4.554 -6.534 6.788 1.00 0.67 H new ATOM 0 HB VAL B 262 -4.082 -8.935 7.380 1.00 0.84 H new ATOM 0 HG11 VAL B 262 -1.967 -9.456 8.534 1.00 1.37 H new ATOM 0 HG12 VAL B 262 -1.711 -9.023 6.827 1.00 1.37 H new ATOM 0 HG13 VAL B 262 -1.348 -7.843 8.109 1.00 1.37 H new ATOM 0 HG21 VAL B 262 -3.843 -8.508 9.798 1.00 1.14 H new ATOM 0 HG22 VAL B 262 -3.335 -6.840 9.444 1.00 1.14 H new ATOM 0 HG23 VAL B 262 -4.980 -7.376 9.027 1.00 1.14 H new ATOM 2095 N GLU B 263 -2.819 -4.962 7.859 1.00 0.57 N ATOM 2096 CA GLU B 263 -1.852 -3.955 8.262 1.00 0.55 C ATOM 2097 C GLU B 263 -1.318 -4.280 9.649 1.00 0.56 C ATOM 2098 O GLU B 263 -2.076 -4.644 10.551 1.00 0.62 O ATOM 2099 CB GLU B 263 -2.462 -2.544 8.207 1.00 0.73 C ATOM 2100 CG GLU B 263 -3.602 -2.289 9.182 1.00 1.21 C ATOM 2101 CD GLU B 263 -3.142 -1.619 10.464 1.00 1.73 C ATOM 2102 OE1 GLU B 263 -2.049 -1.010 10.463 1.00 2.20 O ATOM 2103 OE2 GLU B 263 -3.855 -1.721 11.486 1.00 2.24 O ATOM 0 H GLU B 263 -3.734 -4.876 8.302 1.00 0.57 H new ATOM 0 HA GLU B 263 -1.018 -3.968 7.560 1.00 0.55 H new ATOM 0 HB2 GLU B 263 -1.673 -1.817 8.399 1.00 0.73 H new ATOM 0 HB3 GLU B 263 -2.824 -2.362 7.195 1.00 0.73 H new ATOM 0 HG2 GLU B 263 -4.353 -1.663 8.700 1.00 1.21 H new ATOM 0 HG3 GLU B 263 -4.084 -3.236 9.425 1.00 1.21 H new