USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 958 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 68 SER OG : rot 170:sc= 0.77 USER MOD Set 1.2: A 96 GLN : amide:sc= 0.764 K(o=1.5,f=-2.2) USER MOD Single : A 3 MET CE :methyl 165:sc= -0.078 (180deg=-0.408) USER MOD Single : A 5 MET CE :methyl -156:sc= -0.176 (180deg=-1.01) USER MOD Single : A 7 MET CE :methyl -178:sc= -2.18 (180deg=-2.19) USER MOD Single : A 10 TYR OH : rot 173:sc= 0.0322 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -158:sc= 0.0161 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc=-0.00169 X(o=-0.0017,f=-0.32) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0198 USER MOD Single : A 24 THR OG1 : rot 33:sc= 0.516 USER MOD Single : A 25 ASN : amide:sc= -0.293 X(o=-0.29,f=-0.05) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.452 F(o=-2.6!,f=-0.45) USER MOD Single : A 44 TYR OH : rot 26:sc= 0.107 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 49 SER OG : rot 152:sc= 0.997 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= -1.54! USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 168:sc= -0.0273 (180deg=-0.18) USER MOD Single : A 78 LYS NZ :NH3+ 157:sc= -0.831 (180deg=-1.84!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.724 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 HIS :FLIP no HD1:sc= -0.577 F(o=-1.7,f=-0.58) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN :FLIP amide:sc= -0.0361 F(o=-1.6!,f=-0.036) USER MOD Single : A 90 TYR OH : rot -130:sc= 0.962 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS :FLIP no HD1:sc= -0.214 F(o=-0.93,f=-0.21) USER MOD Single : A 99 CYS SG : rot 76:sc= -1.63! USER MOD Single : A 101 ASN : amide:sc= -0.03 X(o=-0.03,f=0) USER MOD Single : A 104 SER OG : rot 159:sc= -1.53! USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 31:sc= 0.0646 USER MOD Single : A 116 CYS SG : rot 57:sc= 0.422 USER MOD Single : A 117 SER OG : rot 180:sc= -0.43 USER MOD ----------------------------------------------------------------- ATOM 20 N MET A 3 8.950 -15.175 7.621 1.00 1.02 N ATOM 21 CA MET A 3 9.852 -14.047 7.458 1.00 0.92 C ATOM 22 C MET A 3 9.350 -13.114 6.363 1.00 0.65 C ATOM 23 O MET A 3 9.611 -13.331 5.178 1.00 0.82 O ATOM 24 CB MET A 3 11.271 -14.529 7.138 1.00 1.21 C ATOM 25 CG MET A 3 12.279 -13.400 6.976 1.00 1.47 C ATOM 26 SD MET A 3 12.380 -12.336 8.432 1.00 1.88 S ATOM 27 CE MET A 3 12.939 -13.506 9.670 1.00 2.83 C ATOM 0 HA MET A 3 9.880 -13.496 8.398 1.00 0.92 H new ATOM 0 HB2 MET A 3 11.608 -15.193 7.934 1.00 1.21 H new ATOM 0 HB3 MET A 3 11.247 -15.117 6.221 1.00 1.21 H new ATOM 0 HG2 MET A 3 13.262 -13.824 6.773 1.00 1.47 H new ATOM 0 HG3 MET A 3 12.006 -12.797 6.110 1.00 1.47 H new ATOM 0 HE1 MET A 3 13.302 -12.965 10.544 1.00 2.83 H new ATOM 0 HE2 MET A 3 12.110 -14.152 9.961 1.00 2.83 H new ATOM 0 HE3 MET A 3 13.745 -14.114 9.259 1.00 2.83 H new ATOM 37 N ALA A 4 8.599 -12.103 6.765 1.00 0.46 N ATOM 38 CA ALA A 4 8.112 -11.091 5.845 1.00 0.37 C ATOM 39 C ALA A 4 8.694 -9.732 6.213 1.00 0.34 C ATOM 40 O ALA A 4 8.798 -9.396 7.395 1.00 0.43 O ATOM 41 CB ALA A 4 6.591 -11.050 5.865 1.00 0.57 C ATOM 0 H ALA A 4 8.311 -11.961 7.733 1.00 0.46 H new ATOM 0 HA ALA A 4 8.433 -11.343 4.834 1.00 0.37 H new ATOM 0 HB1 ALA A 4 6.238 -10.287 5.171 1.00 0.57 H new ATOM 0 HB2 ALA A 4 6.197 -12.022 5.567 1.00 0.57 H new ATOM 0 HB3 ALA A 4 6.247 -10.812 6.871 1.00 0.57 H new ATOM 47 N MET A 5 9.083 -8.961 5.214 1.00 0.30 N ATOM 48 CA MET A 5 9.710 -7.671 5.455 1.00 0.33 C ATOM 49 C MET A 5 8.835 -6.541 4.933 1.00 0.34 C ATOM 50 O MET A 5 8.755 -6.331 3.726 1.00 0.34 O ATOM 51 CB MET A 5 11.076 -7.615 4.769 1.00 0.35 C ATOM 52 CG MET A 5 12.095 -8.595 5.331 1.00 0.63 C ATOM 53 SD MET A 5 12.560 -8.216 7.030 1.00 1.25 S ATOM 54 CE MET A 5 13.207 -6.556 6.828 1.00 0.90 C ATOM 0 H MET A 5 8.977 -9.204 4.229 1.00 0.30 H new ATOM 0 HA MET A 5 9.837 -7.550 6.531 1.00 0.33 H new ATOM 0 HB2 MET A 5 10.945 -7.814 3.705 1.00 0.35 H new ATOM 0 HB3 MET A 5 11.474 -6.604 4.857 1.00 0.35 H new ATOM 0 HG2 MET A 5 11.685 -9.604 5.287 1.00 0.63 H new ATOM 0 HG3 MET A 5 12.986 -8.586 4.704 1.00 0.63 H new ATOM 0 HE1 MET A 5 13.903 -6.336 7.637 1.00 0.90 H new ATOM 0 HE2 MET A 5 13.726 -6.482 5.872 1.00 0.90 H new ATOM 0 HE3 MET A 5 12.386 -5.840 6.851 1.00 0.90 H new ATOM 64 N PRO A 6 8.189 -5.779 5.838 1.00 0.41 N ATOM 65 CA PRO A 6 7.323 -4.652 5.457 1.00 0.46 C ATOM 66 C PRO A 6 8.018 -3.728 4.461 1.00 0.39 C ATOM 67 O PRO A 6 9.202 -3.437 4.598 1.00 0.38 O ATOM 68 CB PRO A 6 7.087 -3.932 6.786 1.00 0.58 C ATOM 69 CG PRO A 6 7.223 -4.992 7.822 1.00 0.61 C ATOM 70 CD PRO A 6 8.254 -5.956 7.301 1.00 0.49 C ATOM 0 HA PRO A 6 6.404 -4.972 4.966 1.00 0.46 H new ATOM 0 HB2 PRO A 6 7.814 -3.134 6.938 1.00 0.58 H new ATOM 0 HB3 PRO A 6 6.099 -3.473 6.817 1.00 0.58 H new ATOM 0 HG2 PRO A 6 7.534 -4.567 8.776 1.00 0.61 H new ATOM 0 HG3 PRO A 6 6.271 -5.494 7.993 1.00 0.61 H new ATOM 0 HD2 PRO A 6 9.247 -5.728 7.688 1.00 0.49 H new ATOM 0 HD3 PRO A 6 8.026 -6.982 7.591 1.00 0.49 H new ATOM 78 N MET A 7 7.268 -3.273 3.455 1.00 0.37 N ATOM 79 CA MET A 7 7.839 -2.480 2.368 1.00 0.32 C ATOM 80 C MET A 7 8.455 -1.195 2.882 1.00 0.29 C ATOM 81 O MET A 7 9.464 -0.746 2.358 1.00 0.28 O ATOM 82 CB MET A 7 6.798 -2.168 1.295 1.00 0.40 C ATOM 83 CG MET A 7 6.293 -3.395 0.553 1.00 0.37 C ATOM 84 SD MET A 7 5.194 -2.995 -0.818 1.00 1.39 S ATOM 85 CE MET A 7 6.352 -2.294 -1.988 1.00 0.77 C ATOM 0 H MET A 7 6.265 -3.441 3.372 1.00 0.37 H new ATOM 0 HA MET A 7 8.627 -3.084 1.918 1.00 0.32 H new ATOM 0 HB2 MET A 7 5.952 -1.662 1.760 1.00 0.40 H new ATOM 0 HB3 MET A 7 7.229 -1.472 0.575 1.00 0.40 H new ATOM 0 HG2 MET A 7 7.146 -3.959 0.174 1.00 0.37 H new ATOM 0 HG3 MET A 7 5.768 -4.044 1.253 1.00 0.37 H new ATOM 0 HE1 MET A 7 5.816 -1.964 -2.878 1.00 0.77 H new ATOM 0 HE2 MET A 7 6.858 -1.443 -1.533 1.00 0.77 H new ATOM 0 HE3 MET A 7 7.089 -3.047 -2.267 1.00 0.77 H new ATOM 95 N ILE A 8 7.860 -0.609 3.910 1.00 0.30 N ATOM 96 CA ILE A 8 8.442 0.571 4.531 1.00 0.27 C ATOM 97 C ILE A 8 9.775 0.206 5.179 1.00 0.30 C ATOM 98 O ILE A 8 10.783 0.864 4.949 1.00 0.34 O ATOM 99 CB ILE A 8 7.496 1.198 5.578 1.00 0.29 C ATOM 100 CG1 ILE A 8 6.187 1.639 4.913 1.00 0.29 C ATOM 101 CG2 ILE A 8 8.165 2.377 6.275 1.00 0.38 C ATOM 102 CD1 ILE A 8 6.373 2.670 3.816 1.00 0.36 C ATOM 0 H ILE A 8 6.985 -0.926 4.328 1.00 0.30 H new ATOM 0 HA ILE A 8 8.603 1.315 3.751 1.00 0.27 H new ATOM 0 HB ILE A 8 7.268 0.444 6.331 1.00 0.29 H new ATOM 0 HG12 ILE A 8 5.690 0.764 4.495 1.00 0.29 H new ATOM 0 HG13 ILE A 8 5.524 2.049 5.675 1.00 0.29 H new ATOM 0 HG21 ILE A 8 7.480 2.803 7.008 1.00 0.38 H new ATOM 0 HG22 ILE A 8 9.070 2.036 6.779 1.00 0.38 H new ATOM 0 HG23 ILE A 8 8.425 3.136 5.537 1.00 0.38 H new ATOM 0 HD11 ILE A 8 5.403 2.932 3.394 1.00 0.36 H new ATOM 0 HD12 ILE A 8 6.841 3.563 4.231 1.00 0.36 H new ATOM 0 HD13 ILE A 8 7.010 2.258 3.033 1.00 0.36 H new ATOM 114 N GLU A 9 9.765 -0.881 5.946 1.00 0.32 N ATOM 115 CA GLU A 9 10.967 -1.400 6.597 1.00 0.39 C ATOM 116 C GLU A 9 12.063 -1.666 5.563 1.00 0.34 C ATOM 117 O GLU A 9 13.239 -1.369 5.788 1.00 0.37 O ATOM 118 CB GLU A 9 10.614 -2.696 7.335 1.00 0.53 C ATOM 119 CG GLU A 9 11.716 -3.235 8.231 1.00 0.66 C ATOM 120 CD GLU A 9 11.881 -2.431 9.503 1.00 0.87 C ATOM 121 OE1 GLU A 9 10.948 -2.417 10.333 1.00 1.20 O ATOM 122 OE2 GLU A 9 12.944 -1.797 9.675 1.00 1.67 O ATOM 0 H GLU A 9 8.925 -1.427 6.134 1.00 0.32 H new ATOM 0 HA GLU A 9 11.340 -0.662 7.307 1.00 0.39 H new ATOM 0 HB2 GLU A 9 9.724 -2.523 7.940 1.00 0.53 H new ATOM 0 HB3 GLU A 9 10.356 -3.458 6.600 1.00 0.53 H new ATOM 0 HG2 GLU A 9 11.496 -4.271 8.487 1.00 0.66 H new ATOM 0 HG3 GLU A 9 12.657 -3.235 7.682 1.00 0.66 H new ATOM 129 N TYR A 10 11.657 -2.222 4.425 1.00 0.33 N ATOM 130 CA TYR A 10 12.569 -2.498 3.324 1.00 0.33 C ATOM 131 C TYR A 10 13.192 -1.198 2.814 1.00 0.33 C ATOM 132 O TYR A 10 14.402 -1.114 2.611 1.00 0.40 O ATOM 133 CB TYR A 10 11.831 -3.215 2.186 1.00 0.37 C ATOM 134 CG TYR A 10 12.741 -3.682 1.068 1.00 0.45 C ATOM 135 CD1 TYR A 10 13.579 -4.777 1.243 1.00 0.56 C ATOM 136 CD2 TYR A 10 12.770 -3.024 -0.155 1.00 0.50 C ATOM 137 CE1 TYR A 10 14.418 -5.204 0.229 1.00 0.67 C ATOM 138 CE2 TYR A 10 13.608 -3.444 -1.170 1.00 0.60 C ATOM 139 CZ TYR A 10 14.429 -4.535 -0.974 1.00 0.68 C ATOM 140 OH TYR A 10 15.270 -4.952 -1.985 1.00 0.80 O ATOM 0 H TYR A 10 10.691 -2.492 4.242 1.00 0.33 H new ATOM 0 HA TYR A 10 13.365 -3.149 3.687 1.00 0.33 H new ATOM 0 HB2 TYR A 10 11.301 -4.075 2.594 1.00 0.37 H new ATOM 0 HB3 TYR A 10 11.078 -2.543 1.773 1.00 0.37 H new ATOM 0 HD1 TYR A 10 13.575 -5.303 2.186 1.00 0.56 H new ATOM 0 HD2 TYR A 10 12.127 -2.171 -0.315 1.00 0.50 H new ATOM 0 HE1 TYR A 10 15.061 -6.058 0.381 1.00 0.67 H new ATOM 0 HE2 TYR A 10 13.620 -2.920 -2.114 1.00 0.60 H new ATOM 0 HH TYR A 10 15.080 -4.442 -2.800 1.00 0.80 H new ATOM 150 N LEU A 11 12.357 -0.181 2.629 1.00 0.33 N ATOM 151 CA LEU A 11 12.824 1.107 2.133 1.00 0.40 C ATOM 152 C LEU A 11 13.760 1.764 3.141 1.00 0.41 C ATOM 153 O LEU A 11 14.779 2.345 2.763 1.00 0.51 O ATOM 154 CB LEU A 11 11.646 2.041 1.837 1.00 0.47 C ATOM 155 CG LEU A 11 10.546 1.469 0.936 1.00 0.82 C ATOM 156 CD1 LEU A 11 9.519 2.538 0.607 1.00 1.30 C ATOM 157 CD2 LEU A 11 11.123 0.873 -0.337 1.00 1.45 C ATOM 0 H LEU A 11 11.355 -0.224 2.815 1.00 0.33 H new ATOM 0 HA LEU A 11 13.369 0.927 1.206 1.00 0.40 H new ATOM 0 HB2 LEU A 11 11.195 2.337 2.784 1.00 0.47 H new ATOM 0 HB3 LEU A 11 12.034 2.947 1.372 1.00 0.47 H new ATOM 0 HG LEU A 11 10.052 0.666 1.483 1.00 0.82 H new ATOM 0 HD11 LEU A 11 8.745 2.114 -0.033 1.00 1.30 H new ATOM 0 HD12 LEU A 11 9.067 2.904 1.529 1.00 1.30 H new ATOM 0 HD13 LEU A 11 10.007 3.364 0.089 1.00 1.30 H new ATOM 0 HD21 LEU A 11 10.315 0.477 -0.952 1.00 1.45 H new ATOM 0 HD22 LEU A 11 11.656 1.646 -0.891 1.00 1.45 H new ATOM 0 HD23 LEU A 11 11.813 0.068 -0.082 1.00 1.45 H new ATOM 169 N GLU A 12 13.416 1.656 4.422 1.00 0.39 N ATOM 170 CA GLU A 12 14.213 2.254 5.490 1.00 0.50 C ATOM 171 C GLU A 12 15.626 1.686 5.511 1.00 0.53 C ATOM 172 O GLU A 12 16.606 2.418 5.386 1.00 0.61 O ATOM 173 CB GLU A 12 13.555 2.005 6.852 1.00 0.59 C ATOM 174 CG GLU A 12 12.159 2.586 6.979 1.00 0.65 C ATOM 175 CD GLU A 12 11.517 2.287 8.319 1.00 0.74 C ATOM 176 OE1 GLU A 12 10.881 1.223 8.458 1.00 0.90 O ATOM 177 OE2 GLU A 12 11.642 3.118 9.241 1.00 1.41 O ATOM 0 H GLU A 12 12.587 1.158 4.747 1.00 0.39 H new ATOM 0 HA GLU A 12 14.266 3.325 5.296 1.00 0.50 H new ATOM 0 HB2 GLU A 12 13.508 0.931 7.030 1.00 0.59 H new ATOM 0 HB3 GLU A 12 14.187 2.430 7.632 1.00 0.59 H new ATOM 0 HG2 GLU A 12 12.206 3.666 6.837 1.00 0.65 H new ATOM 0 HG3 GLU A 12 11.531 2.186 6.183 1.00 0.65 H new ATOM 184 N ARG A 13 15.721 0.372 5.630 1.00 0.50 N ATOM 185 CA ARG A 13 17.009 -0.285 5.811 1.00 0.57 C ATOM 186 C ARG A 13 17.833 -0.278 4.528 1.00 0.60 C ATOM 187 O ARG A 13 19.041 -0.045 4.556 1.00 0.69 O ATOM 188 CB ARG A 13 16.810 -1.729 6.277 1.00 0.58 C ATOM 189 CG ARG A 13 15.998 -1.861 7.555 1.00 0.61 C ATOM 190 CD ARG A 13 15.814 -3.319 7.939 1.00 0.65 C ATOM 191 NE ARG A 13 14.959 -3.477 9.114 1.00 1.36 N ATOM 192 CZ ARG A 13 14.907 -4.577 9.861 1.00 1.54 C ATOM 193 NH1 ARG A 13 15.728 -5.591 9.614 1.00 1.16 N ATOM 194 NH2 ARG A 13 14.046 -4.651 10.869 1.00 2.57 N ATOM 0 H ARG A 13 14.923 -0.262 5.605 1.00 0.50 H new ATOM 0 HA ARG A 13 17.553 0.276 6.571 1.00 0.57 H new ATOM 0 HB2 ARG A 13 16.315 -2.290 5.485 1.00 0.58 H new ATOM 0 HB3 ARG A 13 17.787 -2.188 6.430 1.00 0.58 H new ATOM 0 HG2 ARG A 13 16.499 -1.329 8.364 1.00 0.61 H new ATOM 0 HG3 ARG A 13 15.024 -1.392 7.420 1.00 0.61 H new ATOM 0 HD2 ARG A 13 15.379 -3.862 7.100 1.00 0.65 H new ATOM 0 HD3 ARG A 13 16.788 -3.766 8.138 1.00 0.65 H new ATOM 0 HE ARG A 13 14.363 -2.693 9.379 1.00 1.36 H new ATOM 0 HH11 ARG A 13 16.401 -5.528 8.850 1.00 1.16 H new ATOM 0 HH12 ARG A 13 15.686 -6.433 10.188 1.00 1.16 H new ATOM 0 HH21 ARG A 13 13.426 -3.866 11.069 1.00 2.57 H new ATOM 0 HH22 ARG A 13 14.004 -5.493 11.443 1.00 2.57 H new ATOM 208 N PHE A 14 17.177 -0.527 3.407 1.00 0.58 N ATOM 209 CA PHE A 14 17.883 -0.728 2.148 1.00 0.68 C ATOM 210 C PHE A 14 17.964 0.554 1.323 1.00 0.75 C ATOM 211 O PHE A 14 19.055 1.046 1.039 1.00 0.96 O ATOM 212 CB PHE A 14 17.203 -1.835 1.333 1.00 0.68 C ATOM 213 CG PHE A 14 17.192 -3.179 2.014 1.00 0.72 C ATOM 214 CD1 PHE A 14 16.307 -3.441 3.048 1.00 0.69 C ATOM 215 CD2 PHE A 14 18.068 -4.177 1.623 1.00 0.88 C ATOM 216 CE1 PHE A 14 16.296 -4.669 3.679 1.00 0.79 C ATOM 217 CE2 PHE A 14 18.063 -5.409 2.250 1.00 0.98 C ATOM 218 CZ PHE A 14 17.175 -5.654 3.279 1.00 0.93 C ATOM 0 H PHE A 14 16.161 -0.595 3.340 1.00 0.58 H new ATOM 0 HA PHE A 14 18.903 -1.026 2.390 1.00 0.68 H new ATOM 0 HB2 PHE A 14 16.176 -1.538 1.122 1.00 0.68 H new ATOM 0 HB3 PHE A 14 17.711 -1.930 0.373 1.00 0.68 H new ATOM 0 HD1 PHE A 14 15.616 -2.674 3.365 1.00 0.69 H new ATOM 0 HD2 PHE A 14 18.764 -3.991 0.818 1.00 0.88 H new ATOM 0 HE1 PHE A 14 15.601 -4.858 4.484 1.00 0.79 H new ATOM 0 HE2 PHE A 14 18.752 -6.179 1.936 1.00 0.98 H new ATOM 0 HZ PHE A 14 17.169 -6.616 3.770 1.00 0.93 H new ATOM 228 N SER A 15 16.812 1.103 0.964 1.00 0.69 N ATOM 229 CA SER A 15 16.749 2.198 0.003 1.00 0.83 C ATOM 230 C SER A 15 17.319 3.505 0.564 1.00 0.91 C ATOM 231 O SER A 15 18.037 4.224 -0.138 1.00 1.07 O ATOM 232 CB SER A 15 15.306 2.397 -0.470 1.00 0.81 C ATOM 233 OG SER A 15 15.225 3.366 -1.502 1.00 1.37 O ATOM 0 H SER A 15 15.905 0.808 1.325 1.00 0.69 H new ATOM 0 HA SER A 15 17.374 1.923 -0.847 1.00 0.83 H new ATOM 0 HB2 SER A 15 14.906 1.449 -0.828 1.00 0.81 H new ATOM 0 HB3 SER A 15 14.686 2.707 0.371 1.00 0.81 H new ATOM 0 HG SER A 15 14.292 3.468 -1.782 1.00 1.37 H new ATOM 239 N LEU A 16 17.013 3.811 1.818 1.00 0.84 N ATOM 240 CA LEU A 16 17.436 5.079 2.408 1.00 0.95 C ATOM 241 C LEU A 16 18.595 4.920 3.377 1.00 0.98 C ATOM 242 O LEU A 16 19.284 5.896 3.688 1.00 1.12 O ATOM 243 CB LEU A 16 16.271 5.744 3.127 1.00 0.94 C ATOM 244 CG LEU A 16 15.194 6.311 2.213 1.00 0.99 C ATOM 245 CD1 LEU A 16 13.996 6.742 3.032 1.00 0.95 C ATOM 246 CD2 LEU A 16 15.739 7.479 1.406 1.00 1.22 C ATOM 0 H LEU A 16 16.479 3.207 2.443 1.00 0.84 H new ATOM 0 HA LEU A 16 17.777 5.704 1.583 1.00 0.95 H new ATOM 0 HB2 LEU A 16 15.813 5.016 3.796 1.00 0.94 H new ATOM 0 HB3 LEU A 16 16.660 6.550 3.750 1.00 0.94 H new ATOM 0 HG LEU A 16 14.880 5.534 1.516 1.00 0.99 H new ATOM 0 HD11 LEU A 16 13.230 7.147 2.371 1.00 0.95 H new ATOM 0 HD12 LEU A 16 13.595 5.883 3.570 1.00 0.95 H new ATOM 0 HD13 LEU A 16 14.300 7.507 3.746 1.00 0.95 H new ATOM 0 HD21 LEU A 16 14.955 7.871 0.758 1.00 1.22 H new ATOM 0 HD22 LEU A 16 16.076 8.263 2.084 1.00 1.22 H new ATOM 0 HD23 LEU A 16 16.577 7.141 0.797 1.00 1.22 H new ATOM 258 N LYS A 17 18.786 3.697 3.866 1.00 0.88 N ATOM 259 CA LYS A 17 19.826 3.392 4.851 1.00 0.96 C ATOM 260 C LYS A 17 19.500 4.057 6.189 1.00 1.01 C ATOM 261 O LYS A 17 20.342 4.125 7.086 1.00 1.13 O ATOM 262 CB LYS A 17 21.205 3.858 4.364 1.00 1.12 C ATOM 263 CG LYS A 17 21.639 3.258 3.036 1.00 1.09 C ATOM 264 CD LYS A 17 21.913 1.769 3.148 1.00 1.00 C ATOM 265 CE LYS A 17 22.430 1.212 1.833 1.00 1.08 C ATOM 266 NZ LYS A 17 22.817 -0.216 1.949 1.00 1.20 N ATOM 0 H LYS A 17 18.226 2.889 3.592 1.00 0.88 H new ATOM 0 HA LYS A 17 19.854 2.310 4.982 1.00 0.96 H new ATOM 0 HB2 LYS A 17 21.196 4.944 4.272 1.00 1.12 H new ATOM 0 HB3 LYS A 17 21.948 3.608 5.122 1.00 1.12 H new ATOM 0 HG2 LYS A 17 20.863 3.429 2.290 1.00 1.09 H new ATOM 0 HG3 LYS A 17 22.537 3.767 2.684 1.00 1.09 H new ATOM 0 HD2 LYS A 17 22.644 1.588 3.936 1.00 1.00 H new ATOM 0 HD3 LYS A 17 21.000 1.248 3.434 1.00 1.00 H new ATOM 0 HE2 LYS A 17 21.662 1.319 1.067 1.00 1.08 H new ATOM 0 HE3 LYS A 17 23.290 1.795 1.505 1.00 1.08 H new ATOM 0 HZ1 LYS A 17 23.164 -0.557 1.030 1.00 1.20 H new ATOM 0 HZ2 LYS A 17 23.568 -0.315 2.662 1.00 1.20 H new ATOM 0 HZ3 LYS A 17 21.990 -0.777 2.237 1.00 1.20 H new ATOM 280 N ALA A 18 18.265 4.528 6.313 1.00 0.97 N ATOM 281 CA ALA A 18 17.827 5.276 7.480 1.00 1.05 C ATOM 282 C ALA A 18 16.338 5.055 7.725 1.00 0.85 C ATOM 283 O ALA A 18 15.582 4.795 6.790 1.00 0.93 O ATOM 284 CB ALA A 18 18.114 6.758 7.289 1.00 1.21 C ATOM 0 H ALA A 18 17.541 4.401 5.606 1.00 0.97 H new ATOM 0 HA ALA A 18 18.378 4.919 8.350 1.00 1.05 H new ATOM 0 HB1 ALA A 18 17.782 7.309 8.169 1.00 1.21 H new ATOM 0 HB2 ALA A 18 19.185 6.906 7.151 1.00 1.21 H new ATOM 0 HB3 ALA A 18 17.581 7.122 6.411 1.00 1.21 H new ATOM 290 N LYS A 19 15.932 5.160 8.985 1.00 0.94 N ATOM 291 CA LYS A 19 14.552 4.962 9.385 1.00 0.87 C ATOM 292 C LYS A 19 13.646 6.017 8.761 1.00 0.66 C ATOM 293 O LYS A 19 14.003 7.196 8.699 1.00 0.72 O ATOM 294 CB LYS A 19 14.471 5.034 10.904 1.00 1.18 C ATOM 295 CG LYS A 19 15.408 4.064 11.607 1.00 1.36 C ATOM 296 CD LYS A 19 14.669 2.878 12.210 1.00 1.62 C ATOM 297 CE LYS A 19 14.009 1.999 11.157 1.00 1.96 C ATOM 298 NZ LYS A 19 13.375 0.798 11.769 1.00 2.32 N ATOM 0 H LYS A 19 16.557 5.386 9.759 1.00 0.94 H new ATOM 0 HA LYS A 19 14.213 3.986 9.037 1.00 0.87 H new ATOM 0 HB2 LYS A 19 14.704 6.049 11.225 1.00 1.18 H new ATOM 0 HB3 LYS A 19 13.447 4.828 11.216 1.00 1.18 H new ATOM 0 HG2 LYS A 19 16.152 3.702 10.897 1.00 1.36 H new ATOM 0 HG3 LYS A 19 15.948 4.590 12.394 1.00 1.36 H new ATOM 0 HD2 LYS A 19 15.368 2.278 12.792 1.00 1.62 H new ATOM 0 HD3 LYS A 19 13.909 3.242 12.901 1.00 1.62 H new ATOM 0 HE2 LYS A 19 13.256 2.576 10.620 1.00 1.96 H new ATOM 0 HE3 LYS A 19 14.753 1.686 10.424 1.00 1.96 H new ATOM 0 HZ1 LYS A 19 13.270 0.056 11.048 1.00 2.32 H new ATOM 0 HZ2 LYS A 19 13.973 0.446 12.543 1.00 2.32 H new ATOM 0 HZ3 LYS A 19 12.439 1.052 12.143 1.00 2.32 H new ATOM 312 N ILE A 20 12.472 5.594 8.320 1.00 0.55 N ATOM 313 CA ILE A 20 11.557 6.476 7.619 1.00 0.46 C ATOM 314 C ILE A 20 10.685 7.270 8.584 1.00 0.53 C ATOM 315 O ILE A 20 10.137 6.736 9.550 1.00 0.66 O ATOM 316 CB ILE A 20 10.676 5.694 6.607 1.00 0.51 C ATOM 317 CG1 ILE A 20 11.396 5.596 5.259 1.00 0.43 C ATOM 318 CG2 ILE A 20 9.304 6.338 6.431 1.00 0.70 C ATOM 319 CD1 ILE A 20 10.665 4.755 4.236 1.00 0.77 C ATOM 0 H ILE A 20 12.130 4.640 8.437 1.00 0.55 H new ATOM 0 HA ILE A 20 12.169 7.185 7.061 1.00 0.46 H new ATOM 0 HB ILE A 20 10.515 4.693 7.007 1.00 0.51 H new ATOM 0 HG12 ILE A 20 11.535 6.600 4.858 1.00 0.43 H new ATOM 0 HG13 ILE A 20 12.389 5.176 5.418 1.00 0.43 H new ATOM 0 HG21 ILE A 20 8.720 5.760 5.715 1.00 0.70 H new ATOM 0 HG22 ILE A 20 8.786 6.358 7.390 1.00 0.70 H new ATOM 0 HG23 ILE A 20 9.425 7.357 6.062 1.00 0.70 H new ATOM 0 HD11 ILE A 20 11.236 4.733 3.308 1.00 0.77 H new ATOM 0 HD12 ILE A 20 10.549 3.740 4.615 1.00 0.77 H new ATOM 0 HD13 ILE A 20 9.682 5.186 4.047 1.00 0.77 H new ATOM 331 N ASN A 21 10.590 8.557 8.307 1.00 0.51 N ATOM 332 CA ASN A 21 9.714 9.466 9.026 1.00 0.59 C ATOM 333 C ASN A 21 9.115 10.436 8.023 1.00 0.67 C ATOM 334 O ASN A 21 9.155 10.183 6.822 1.00 0.69 O ATOM 335 CB ASN A 21 10.471 10.241 10.115 1.00 0.63 C ATOM 336 CG ASN A 21 10.775 9.408 11.348 1.00 1.26 C ATOM 337 OD1 ASN A 21 11.820 8.768 11.443 1.00 2.19 O ATOM 338 ND2 ASN A 21 9.864 9.423 12.313 1.00 1.85 N ATOM 0 H ASN A 21 11.126 9.008 7.566 1.00 0.51 H new ATOM 0 HA ASN A 21 8.933 8.890 9.523 1.00 0.59 H new ATOM 0 HB2 ASN A 21 11.406 10.616 9.700 1.00 0.63 H new ATOM 0 HB3 ASN A 21 9.881 11.109 10.409 1.00 0.63 H new ATOM 0 HD21 ASN A 21 10.020 8.891 13.169 1.00 1.85 H new ATOM 0 HD22 ASN A 21 9.008 9.966 12.198 1.00 1.85 H new ATOM 345 N ASN A 22 8.586 11.553 8.492 1.00 0.78 N ATOM 346 CA ASN A 22 8.079 12.579 7.585 1.00 0.97 C ATOM 347 C ASN A 22 9.236 13.339 6.932 1.00 0.99 C ATOM 348 O ASN A 22 9.030 14.156 6.040 1.00 1.18 O ATOM 349 CB ASN A 22 7.147 13.546 8.324 1.00 1.13 C ATOM 350 CG ASN A 22 7.841 14.303 9.440 1.00 1.38 C ATOM 351 OD1 ASN A 22 7.950 13.809 10.562 1.00 1.80 O ATOM 352 ND2 ASN A 22 8.288 15.516 9.155 1.00 2.01 N ATOM 0 H ASN A 22 8.495 11.775 9.483 1.00 0.78 H new ATOM 0 HA ASN A 22 7.505 12.086 6.800 1.00 0.97 H new ATOM 0 HB2 ASN A 22 6.734 14.259 7.611 1.00 1.13 H new ATOM 0 HB3 ASN A 22 6.308 12.987 8.739 1.00 1.13 H new ATOM 0 HD21 ASN A 22 8.741 16.075 9.878 1.00 2.01 H new ATOM 0 HD22 ASN A 22 8.179 15.891 8.213 1.00 2.01 H new ATOM 359 N THR A 23 10.453 13.056 7.382 1.00 0.90 N ATOM 360 CA THR A 23 11.640 13.715 6.857 1.00 1.04 C ATOM 361 C THR A 23 12.272 12.927 5.708 1.00 0.91 C ATOM 362 O THR A 23 12.952 13.498 4.855 1.00 0.91 O ATOM 363 CB THR A 23 12.683 13.912 7.968 1.00 1.27 C ATOM 364 OG1 THR A 23 12.830 12.696 8.713 1.00 1.39 O ATOM 365 CG2 THR A 23 12.274 15.042 8.900 1.00 1.78 C ATOM 0 H THR A 23 10.643 12.371 8.113 1.00 0.90 H new ATOM 0 HA THR A 23 11.321 14.684 6.473 1.00 1.04 H new ATOM 0 HB THR A 23 13.635 14.175 7.507 1.00 1.27 H new ATOM 0 HG1 THR A 23 13.497 12.824 9.420 1.00 1.39 H new ATOM 0 HG21 THR A 23 13.028 15.163 9.678 1.00 1.78 H new ATOM 0 HG22 THR A 23 12.187 15.968 8.332 1.00 1.78 H new ATOM 0 HG23 THR A 23 11.314 14.806 9.358 1.00 1.78 H new ATOM 373 N THR A 24 12.062 11.616 5.693 1.00 0.92 N ATOM 374 CA THR A 24 12.590 10.773 4.630 1.00 0.90 C ATOM 375 C THR A 24 11.784 10.973 3.352 1.00 0.80 C ATOM 376 O THR A 24 10.577 10.723 3.317 1.00 1.03 O ATOM 377 CB THR A 24 12.580 9.292 5.042 1.00 1.18 C ATOM 378 OG1 THR A 24 11.335 8.972 5.667 1.00 1.68 O ATOM 379 CG2 THR A 24 13.728 8.991 5.997 1.00 1.42 C ATOM 0 H THR A 24 11.530 11.115 6.405 1.00 0.92 H new ATOM 0 HA THR A 24 13.624 11.064 4.446 1.00 0.90 H new ATOM 0 HB THR A 24 12.705 8.683 4.147 1.00 1.18 H new ATOM 0 HG1 THR A 24 10.620 9.509 5.266 1.00 1.68 H new ATOM 0 HG21 THR A 24 13.702 7.938 6.276 1.00 1.42 H new ATOM 0 HG22 THR A 24 14.676 9.214 5.508 1.00 1.42 H new ATOM 0 HG23 THR A 24 13.628 9.606 6.891 1.00 1.42 H new ATOM 387 N ASN A 25 12.455 11.410 2.299 1.00 0.71 N ATOM 388 CA ASN A 25 11.770 11.855 1.096 1.00 0.76 C ATOM 389 C ASN A 25 11.839 10.829 -0.024 1.00 0.77 C ATOM 390 O ASN A 25 12.437 11.073 -1.068 1.00 0.87 O ATOM 391 CB ASN A 25 12.346 13.193 0.620 1.00 0.90 C ATOM 392 CG ASN A 25 11.906 14.365 1.480 1.00 1.23 C ATOM 393 OD1 ASN A 25 12.679 15.289 1.728 1.00 1.82 O ATOM 394 ND2 ASN A 25 10.649 14.365 1.898 1.00 1.98 N ATOM 0 H ASN A 25 13.472 11.466 2.252 1.00 0.71 H new ATOM 0 HA ASN A 25 10.719 11.982 1.355 1.00 0.76 H new ATOM 0 HB2 ASN A 25 13.434 13.136 0.622 1.00 0.90 H new ATOM 0 HB3 ASN A 25 12.038 13.369 -0.411 1.00 0.90 H new ATOM 0 HD21 ASN A 25 10.293 15.149 2.445 1.00 1.98 H new ATOM 0 HD22 ASN A 25 10.037 13.581 1.673 1.00 1.98 H new ATOM 401 N LEU A 26 11.213 9.683 0.196 1.00 0.79 N ATOM 402 CA LEU A 26 11.021 8.701 -0.865 1.00 0.82 C ATOM 403 C LEU A 26 9.715 8.975 -1.592 1.00 0.74 C ATOM 404 O LEU A 26 9.293 8.196 -2.445 1.00 0.74 O ATOM 405 CB LEU A 26 11.018 7.273 -0.319 1.00 1.09 C ATOM 406 CG LEU A 26 12.391 6.682 -0.016 1.00 1.55 C ATOM 407 CD1 LEU A 26 12.241 5.252 0.470 1.00 2.31 C ATOM 408 CD2 LEU A 26 13.281 6.737 -1.248 1.00 2.48 C ATOM 0 H LEU A 26 10.828 9.408 1.100 1.00 0.79 H new ATOM 0 HA LEU A 26 11.856 8.793 -1.559 1.00 0.82 H new ATOM 0 HB2 LEU A 26 10.424 7.253 0.595 1.00 1.09 H new ATOM 0 HB3 LEU A 26 10.515 6.628 -1.040 1.00 1.09 H new ATOM 0 HG LEU A 26 12.863 7.273 0.769 1.00 1.55 H new ATOM 0 HD11 LEU A 26 13.225 4.836 0.685 1.00 2.31 H new ATOM 0 HD12 LEU A 26 11.635 5.237 1.376 1.00 2.31 H new ATOM 0 HD13 LEU A 26 11.755 4.655 -0.301 1.00 2.31 H new ATOM 0 HD21 LEU A 26 14.256 6.311 -1.012 1.00 2.48 H new ATOM 0 HD22 LEU A 26 12.821 6.166 -2.055 1.00 2.48 H new ATOM 0 HD23 LEU A 26 13.404 7.774 -1.562 1.00 2.48 H new ATOM 420 N ASP A 27 9.058 10.056 -1.194 1.00 0.78 N ATOM 421 CA ASP A 27 7.833 10.514 -1.840 1.00 0.89 C ATOM 422 C ASP A 27 8.014 10.647 -3.351 1.00 0.81 C ATOM 423 O ASP A 27 7.478 9.849 -4.115 1.00 0.99 O ATOM 424 CB ASP A 27 7.376 11.848 -1.229 1.00 1.04 C ATOM 425 CG ASP A 27 8.534 12.733 -0.793 1.00 1.41 C ATOM 426 OD1 ASP A 27 9.255 13.246 -1.676 1.00 1.43 O ATOM 427 OD2 ASP A 27 8.714 12.941 0.424 1.00 2.18 O ATOM 0 H ASP A 27 9.358 10.641 -0.414 1.00 0.78 H new ATOM 0 HA ASP A 27 7.061 9.765 -1.666 1.00 0.89 H new ATOM 0 HB2 ASP A 27 6.770 12.386 -1.958 1.00 1.04 H new ATOM 0 HB3 ASP A 27 6.737 11.647 -0.369 1.00 1.04 H new ATOM 432 N TYR A 28 8.794 11.630 -3.778 1.00 0.70 N ATOM 433 CA TYR A 28 9.035 11.850 -5.200 1.00 0.82 C ATOM 434 C TYR A 28 9.890 10.732 -5.792 1.00 0.69 C ATOM 435 O TYR A 28 9.965 10.579 -7.011 1.00 0.83 O ATOM 436 CB TYR A 28 9.719 13.199 -5.432 1.00 1.02 C ATOM 437 CG TYR A 28 8.950 14.385 -4.892 1.00 1.16 C ATOM 438 CD1 TYR A 28 7.584 14.500 -5.108 1.00 1.32 C ATOM 439 CD2 TYR A 28 9.585 15.382 -4.163 1.00 1.24 C ATOM 440 CE1 TYR A 28 6.873 15.575 -4.616 1.00 1.48 C ATOM 441 CE2 TYR A 28 8.879 16.462 -3.665 1.00 1.38 C ATOM 442 CZ TYR A 28 7.550 16.576 -3.909 1.00 1.47 C ATOM 443 OH TYR A 28 6.811 17.620 -3.400 1.00 1.64 O ATOM 0 H TYR A 28 9.271 12.288 -3.162 1.00 0.70 H new ATOM 0 HA TYR A 28 8.067 11.852 -5.701 1.00 0.82 H new ATOM 0 HB2 TYR A 28 10.705 13.178 -4.968 1.00 1.02 H new ATOM 0 HB3 TYR A 28 9.873 13.337 -6.502 1.00 1.02 H new ATOM 0 HD1 TYR A 28 7.069 13.735 -5.671 1.00 1.32 H new ATOM 0 HD2 TYR A 28 10.647 15.313 -3.982 1.00 1.24 H new ATOM 0 HE1 TYR A 28 5.807 15.644 -4.774 1.00 1.48 H new ATOM 0 HE2 TYR A 28 9.387 17.215 -3.081 1.00 1.38 H new ATOM 0 HH TYR A 28 7.405 18.243 -2.931 1.00 1.64 H new ATOM 453 N SER A 29 10.510 9.942 -4.924 1.00 0.52 N ATOM 454 CA SER A 29 11.392 8.869 -5.361 1.00 0.50 C ATOM 455 C SER A 29 10.583 7.648 -5.735 1.00 0.43 C ATOM 456 O SER A 29 11.060 6.766 -6.444 1.00 0.43 O ATOM 457 CB SER A 29 12.377 8.501 -4.255 1.00 0.53 C ATOM 458 OG SER A 29 13.098 9.636 -3.809 1.00 0.61 O ATOM 0 H SER A 29 10.417 10.025 -3.912 1.00 0.52 H new ATOM 0 HA SER A 29 11.947 9.218 -6.232 1.00 0.50 H new ATOM 0 HB2 SER A 29 11.838 8.058 -3.418 1.00 0.53 H new ATOM 0 HB3 SER A 29 13.073 7.746 -4.621 1.00 0.53 H new ATOM 0 HG SER A 29 13.720 9.371 -3.100 1.00 0.61 H new ATOM 464 N ARG A 30 9.346 7.612 -5.263 1.00 0.42 N ATOM 465 CA ARG A 30 8.480 6.461 -5.466 1.00 0.40 C ATOM 466 C ARG A 30 8.296 6.160 -6.945 1.00 0.38 C ATOM 467 O ARG A 30 8.153 5.006 -7.333 1.00 0.39 O ATOM 468 CB ARG A 30 7.135 6.671 -4.775 1.00 0.43 C ATOM 469 CG ARG A 30 6.877 5.635 -3.708 1.00 0.49 C ATOM 470 CD ARG A 30 6.026 6.191 -2.583 1.00 0.73 C ATOM 471 NE ARG A 30 5.976 5.280 -1.443 1.00 1.07 N ATOM 472 CZ ARG A 30 6.846 5.316 -0.433 1.00 1.18 C ATOM 473 NH1 ARG A 30 7.828 6.211 -0.434 1.00 1.25 N ATOM 474 NH2 ARG A 30 6.738 4.457 0.575 1.00 1.86 N ATOM 0 H ARG A 30 8.918 8.372 -4.734 1.00 0.42 H new ATOM 0 HA ARG A 30 8.962 5.594 -5.015 1.00 0.40 H new ATOM 0 HB2 ARG A 30 7.109 7.665 -4.328 1.00 0.43 H new ATOM 0 HB3 ARG A 30 6.337 6.633 -5.517 1.00 0.43 H new ATOM 0 HG2 ARG A 30 6.378 4.773 -4.150 1.00 0.49 H new ATOM 0 HG3 ARG A 30 7.827 5.282 -3.306 1.00 0.49 H new ATOM 0 HD2 ARG A 30 6.428 7.152 -2.263 1.00 0.73 H new ATOM 0 HD3 ARG A 30 5.015 6.374 -2.947 1.00 0.73 H new ATOM 0 HE ARG A 30 5.236 4.578 -1.418 1.00 1.07 H new ATOM 0 HH11 ARG A 30 7.916 6.870 -1.207 1.00 1.25 H new ATOM 0 HH12 ARG A 30 8.494 6.239 0.338 1.00 1.25 H new ATOM 0 HH21 ARG A 30 5.987 3.766 0.578 1.00 1.86 H new ATOM 0 HH22 ARG A 30 7.406 4.488 1.345 1.00 1.86 H new ATOM 488 N ARG A 31 8.337 7.194 -7.769 1.00 0.39 N ATOM 489 CA ARG A 31 8.156 7.023 -9.200 1.00 0.43 C ATOM 490 C ARG A 31 9.383 6.368 -9.852 1.00 0.42 C ATOM 491 O ARG A 31 9.317 5.899 -10.989 1.00 0.51 O ATOM 492 CB ARG A 31 7.844 8.368 -9.860 1.00 0.55 C ATOM 493 CG ARG A 31 6.505 8.944 -9.430 1.00 1.16 C ATOM 494 CD ARG A 31 6.252 10.306 -10.051 1.00 1.92 C ATOM 495 NE ARG A 31 4.893 10.779 -9.790 1.00 2.67 N ATOM 496 CZ ARG A 31 4.440 11.981 -10.141 1.00 3.57 C ATOM 497 NH1 ARG A 31 5.254 12.868 -10.704 1.00 3.96 N ATOM 498 NH2 ARG A 31 3.172 12.303 -9.918 1.00 4.35 N ATOM 0 H ARG A 31 8.493 8.157 -7.472 1.00 0.39 H new ATOM 0 HA ARG A 31 7.310 6.353 -9.352 1.00 0.43 H new ATOM 0 HB2 ARG A 31 8.634 9.078 -9.616 1.00 0.55 H new ATOM 0 HB3 ARG A 31 7.849 8.245 -10.943 1.00 0.55 H new ATOM 0 HG2 ARG A 31 5.706 8.260 -9.716 1.00 1.16 H new ATOM 0 HG3 ARG A 31 6.478 9.029 -8.344 1.00 1.16 H new ATOM 0 HD2 ARG A 31 6.969 11.025 -9.655 1.00 1.92 H new ATOM 0 HD3 ARG A 31 6.417 10.251 -11.127 1.00 1.92 H new ATOM 0 HE ARG A 31 4.252 10.148 -9.309 1.00 2.67 H new ATOM 0 HH11 ARG A 31 6.232 12.630 -10.870 1.00 3.96 H new ATOM 0 HH12 ARG A 31 4.901 13.787 -10.971 1.00 3.96 H new ATOM 0 HH21 ARG A 31 2.545 11.630 -9.478 1.00 4.35 H new ATOM 0 HH22 ARG A 31 2.825 13.224 -10.187 1.00 4.35 H new ATOM 512 N PHE A 32 10.505 6.344 -9.135 1.00 0.39 N ATOM 513 CA PHE A 32 11.688 5.612 -9.594 1.00 0.42 C ATOM 514 C PHE A 32 11.802 4.319 -8.806 1.00 0.40 C ATOM 515 O PHE A 32 12.558 3.416 -9.160 1.00 0.47 O ATOM 516 CB PHE A 32 12.974 6.430 -9.414 1.00 0.53 C ATOM 517 CG PHE A 32 12.779 7.919 -9.425 1.00 1.08 C ATOM 518 CD1 PHE A 32 12.414 8.588 -10.581 1.00 2.08 C ATOM 519 CD2 PHE A 32 12.971 8.647 -8.266 1.00 1.15 C ATOM 520 CE1 PHE A 32 12.245 9.958 -10.575 1.00 3.15 C ATOM 521 CE2 PHE A 32 12.802 10.015 -8.252 1.00 2.18 C ATOM 522 CZ PHE A 32 12.438 10.673 -9.410 1.00 3.19 C ATOM 0 H PHE A 32 10.622 6.819 -8.240 1.00 0.39 H new ATOM 0 HA PHE A 32 11.570 5.409 -10.658 1.00 0.42 H new ATOM 0 HB2 PHE A 32 13.440 6.146 -8.471 1.00 0.53 H new ATOM 0 HB3 PHE A 32 13.672 6.163 -10.208 1.00 0.53 H new ATOM 0 HD1 PHE A 32 12.260 8.033 -11.495 1.00 2.08 H new ATOM 0 HD2 PHE A 32 13.258 8.137 -7.358 1.00 1.15 H new ATOM 0 HE1 PHE A 32 11.962 10.471 -11.482 1.00 3.15 H new ATOM 0 HE2 PHE A 32 12.954 10.570 -7.338 1.00 2.18 H new ATOM 0 HZ PHE A 32 12.305 11.745 -9.404 1.00 3.19 H new ATOM 532 N LEU A 33 11.044 4.247 -7.725 1.00 0.34 N ATOM 533 CA LEU A 33 10.917 3.022 -6.966 1.00 0.34 C ATOM 534 C LEU A 33 9.919 2.109 -7.667 1.00 0.32 C ATOM 535 O LEU A 33 9.832 0.923 -7.372 1.00 0.37 O ATOM 536 CB LEU A 33 10.473 3.323 -5.531 1.00 0.34 C ATOM 537 CG LEU A 33 11.415 4.228 -4.732 1.00 0.39 C ATOM 538 CD1 LEU A 33 10.872 4.453 -3.331 1.00 0.39 C ATOM 539 CD2 LEU A 33 12.813 3.629 -4.671 1.00 0.47 C ATOM 0 H LEU A 33 10.505 5.030 -7.354 1.00 0.34 H new ATOM 0 HA LEU A 33 11.884 2.521 -6.912 1.00 0.34 H new ATOM 0 HB2 LEU A 33 9.488 3.789 -5.563 1.00 0.34 H new ATOM 0 HB3 LEU A 33 10.362 2.379 -4.997 1.00 0.34 H new ATOM 0 HG LEU A 33 11.477 5.191 -5.239 1.00 0.39 H new ATOM 0 HD11 LEU A 33 11.553 5.098 -2.776 1.00 0.39 H new ATOM 0 HD12 LEU A 33 9.892 4.927 -3.392 1.00 0.39 H new ATOM 0 HD13 LEU A 33 10.780 3.496 -2.818 1.00 0.39 H new ATOM 0 HD21 LEU A 33 13.466 4.288 -4.099 1.00 0.47 H new ATOM 0 HD22 LEU A 33 12.770 2.652 -4.189 1.00 0.47 H new ATOM 0 HD23 LEU A 33 13.205 3.517 -5.682 1.00 0.47 H new ATOM 551 N GLU A 34 9.175 2.688 -8.606 1.00 0.30 N ATOM 552 CA GLU A 34 8.257 1.932 -9.448 1.00 0.29 C ATOM 553 C GLU A 34 8.977 0.826 -10.212 1.00 0.32 C ATOM 554 O GLU A 34 8.589 -0.338 -10.114 1.00 0.32 O ATOM 555 CB GLU A 34 7.549 2.861 -10.436 1.00 0.31 C ATOM 556 CG GLU A 34 6.279 3.461 -9.892 1.00 0.35 C ATOM 557 CD GLU A 34 5.666 4.487 -10.824 1.00 0.52 C ATOM 558 OE1 GLU A 34 5.564 4.209 -12.033 1.00 0.82 O ATOM 559 OE2 GLU A 34 5.272 5.574 -10.350 1.00 0.67 O ATOM 0 H GLU A 34 9.192 3.689 -8.803 1.00 0.30 H new ATOM 0 HA GLU A 34 7.520 1.470 -8.792 1.00 0.29 H new ATOM 0 HB2 GLU A 34 8.229 3.665 -10.718 1.00 0.31 H new ATOM 0 HB3 GLU A 34 7.319 2.305 -11.344 1.00 0.31 H new ATOM 0 HG2 GLU A 34 5.556 2.666 -9.709 1.00 0.35 H new ATOM 0 HG3 GLU A 34 6.487 3.930 -8.930 1.00 0.35 H new ATOM 566 N PRO A 35 10.044 1.146 -10.979 1.00 0.35 N ATOM 567 CA PRO A 35 10.809 0.123 -11.678 1.00 0.37 C ATOM 568 C PRO A 35 11.447 -0.870 -10.710 1.00 0.36 C ATOM 569 O PRO A 35 11.661 -2.036 -11.042 1.00 0.38 O ATOM 570 CB PRO A 35 11.889 0.906 -12.431 1.00 0.45 C ATOM 571 CG PRO A 35 11.361 2.292 -12.523 1.00 0.51 C ATOM 572 CD PRO A 35 10.555 2.499 -11.277 1.00 0.38 C ATOM 0 HA PRO A 35 10.177 -0.473 -12.337 1.00 0.37 H new ATOM 0 HB2 PRO A 35 12.840 0.880 -11.899 1.00 0.45 H new ATOM 0 HB3 PRO A 35 12.066 0.484 -13.420 1.00 0.45 H new ATOM 0 HG2 PRO A 35 12.172 3.017 -12.590 1.00 0.51 H new ATOM 0 HG3 PRO A 35 10.746 2.419 -13.414 1.00 0.51 H new ATOM 0 HD2 PRO A 35 11.166 2.888 -10.462 1.00 0.38 H new ATOM 0 HD3 PRO A 35 9.744 3.210 -11.435 1.00 0.38 H new ATOM 580 N PHE A 36 11.722 -0.393 -9.503 1.00 0.35 N ATOM 581 CA PHE A 36 12.360 -1.193 -8.468 1.00 0.38 C ATOM 582 C PHE A 36 11.373 -2.196 -7.870 1.00 0.34 C ATOM 583 O PHE A 36 11.755 -3.289 -7.450 1.00 0.43 O ATOM 584 CB PHE A 36 12.915 -0.258 -7.383 1.00 0.46 C ATOM 585 CG PHE A 36 13.650 -0.950 -6.271 1.00 0.52 C ATOM 586 CD1 PHE A 36 14.662 -1.860 -6.550 1.00 0.62 C ATOM 587 CD2 PHE A 36 13.322 -0.705 -4.949 1.00 0.64 C ATOM 588 CE1 PHE A 36 15.331 -2.504 -5.529 1.00 0.69 C ATOM 589 CE2 PHE A 36 13.988 -1.347 -3.925 1.00 0.72 C ATOM 590 CZ PHE A 36 15.025 -2.212 -4.214 1.00 0.70 C ATOM 0 H PHE A 36 11.508 0.562 -9.214 1.00 0.35 H new ATOM 0 HA PHE A 36 13.179 -1.763 -8.906 1.00 0.38 H new ATOM 0 HB2 PHE A 36 13.587 0.461 -7.852 1.00 0.46 H new ATOM 0 HB3 PHE A 36 12.089 0.310 -6.955 1.00 0.46 H new ATOM 0 HD1 PHE A 36 14.928 -2.066 -7.576 1.00 0.62 H new ATOM 0 HD2 PHE A 36 12.535 -0.003 -4.716 1.00 0.64 H new ATOM 0 HE1 PHE A 36 16.092 -3.235 -5.758 1.00 0.69 H new ATOM 0 HE2 PHE A 36 13.699 -1.173 -2.899 1.00 0.72 H new ATOM 0 HZ PHE A 36 15.596 -2.659 -3.414 1.00 0.70 H new ATOM 600 N LEU A 37 10.103 -1.824 -7.851 1.00 0.27 N ATOM 601 CA LEU A 37 9.069 -2.656 -7.248 1.00 0.26 C ATOM 602 C LEU A 37 8.184 -3.302 -8.310 1.00 0.25 C ATOM 603 O LEU A 37 7.181 -3.942 -7.994 1.00 0.30 O ATOM 604 CB LEU A 37 8.221 -1.811 -6.297 1.00 0.30 C ATOM 605 CG LEU A 37 9.011 -1.090 -5.199 1.00 0.39 C ATOM 606 CD1 LEU A 37 8.112 -0.132 -4.438 1.00 0.68 C ATOM 607 CD2 LEU A 37 9.648 -2.093 -4.250 1.00 0.99 C ATOM 0 H LEU A 37 9.761 -0.949 -8.247 1.00 0.27 H new ATOM 0 HA LEU A 37 9.555 -3.456 -6.690 1.00 0.26 H new ATOM 0 HB2 LEU A 37 7.677 -1.068 -6.881 1.00 0.30 H new ATOM 0 HB3 LEU A 37 7.477 -2.454 -5.827 1.00 0.30 H new ATOM 0 HG LEU A 37 9.806 -0.514 -5.671 1.00 0.39 H new ATOM 0 HD11 LEU A 37 8.690 0.371 -3.663 1.00 0.68 H new ATOM 0 HD12 LEU A 37 7.705 0.609 -5.126 1.00 0.68 H new ATOM 0 HD13 LEU A 37 7.294 -0.688 -3.979 1.00 0.68 H new ATOM 0 HD21 LEU A 37 10.204 -1.561 -3.478 1.00 0.99 H new ATOM 0 HD22 LEU A 37 8.870 -2.698 -3.785 1.00 0.99 H new ATOM 0 HD23 LEU A 37 10.327 -2.739 -4.806 1.00 0.99 H new ATOM 619 N ARG A 38 8.551 -3.118 -9.569 1.00 0.24 N ATOM 620 CA ARG A 38 7.814 -3.715 -10.677 1.00 0.27 C ATOM 621 C ARG A 38 7.978 -5.230 -10.679 1.00 0.25 C ATOM 622 O ARG A 38 9.045 -5.745 -11.020 1.00 0.36 O ATOM 623 CB ARG A 38 8.301 -3.148 -12.013 1.00 0.33 C ATOM 624 CG ARG A 38 7.451 -3.577 -13.203 1.00 1.01 C ATOM 625 CD ARG A 38 8.122 -3.251 -14.529 1.00 1.12 C ATOM 626 NE ARG A 38 9.319 -4.064 -14.749 1.00 1.86 N ATOM 627 CZ ARG A 38 9.946 -4.187 -15.922 1.00 2.37 C ATOM 628 NH1 ARG A 38 9.521 -3.526 -16.992 1.00 2.26 N ATOM 629 NH2 ARG A 38 11.009 -4.975 -16.016 1.00 3.39 N ATOM 0 H ARG A 38 9.356 -2.559 -9.851 1.00 0.24 H new ATOM 0 HA ARG A 38 6.759 -3.472 -10.547 1.00 0.27 H new ATOM 0 HB2 ARG A 38 8.308 -2.060 -11.955 1.00 0.33 H new ATOM 0 HB3 ARG A 38 9.331 -3.465 -12.179 1.00 0.33 H new ATOM 0 HG2 ARG A 38 7.262 -4.649 -13.146 1.00 1.01 H new ATOM 0 HG3 ARG A 38 6.482 -3.080 -13.155 1.00 1.01 H new ATOM 0 HD2 ARG A 38 7.416 -3.416 -15.343 1.00 1.12 H new ATOM 0 HD3 ARG A 38 8.391 -2.195 -14.550 1.00 1.12 H new ATOM 0 HE ARG A 38 9.701 -4.572 -13.951 1.00 1.86 H new ATOM 0 HH11 ARG A 38 8.707 -2.915 -16.924 1.00 2.26 H new ATOM 0 HH12 ARG A 38 10.009 -3.629 -17.882 1.00 2.26 H new ATOM 0 HH21 ARG A 38 11.342 -5.482 -15.196 1.00 3.39 H new ATOM 0 HH22 ARG A 38 11.493 -5.074 -16.908 1.00 3.39 H new ATOM 643 N GLY A 39 6.928 -5.936 -10.286 1.00 0.19 N ATOM 644 CA GLY A 39 6.951 -7.383 -10.324 1.00 0.23 C ATOM 645 C GLY A 39 7.373 -7.996 -9.005 1.00 0.22 C ATOM 646 O GLY A 39 8.176 -8.925 -8.976 1.00 0.30 O ATOM 0 H GLY A 39 6.058 -5.531 -9.940 1.00 0.19 H new ATOM 0 HA2 GLY A 39 5.960 -7.751 -10.590 1.00 0.23 H new ATOM 0 HA3 GLY A 39 7.634 -7.711 -11.107 1.00 0.23 H new ATOM 650 N ILE A 40 6.833 -7.480 -7.911 1.00 0.18 N ATOM 651 CA ILE A 40 7.117 -8.044 -6.590 1.00 0.19 C ATOM 652 C ILE A 40 5.845 -8.639 -6.001 1.00 0.20 C ATOM 653 O ILE A 40 4.754 -8.348 -6.476 1.00 0.23 O ATOM 654 CB ILE A 40 7.705 -6.998 -5.606 1.00 0.21 C ATOM 655 CG1 ILE A 40 6.719 -5.848 -5.380 1.00 0.20 C ATOM 656 CG2 ILE A 40 9.036 -6.468 -6.121 1.00 0.23 C ATOM 657 CD1 ILE A 40 7.152 -4.849 -4.320 1.00 0.20 C ATOM 0 H ILE A 40 6.201 -6.679 -7.906 1.00 0.18 H new ATOM 0 HA ILE A 40 7.871 -8.819 -6.728 1.00 0.19 H new ATOM 0 HB ILE A 40 7.877 -7.491 -4.649 1.00 0.21 H new ATOM 0 HG12 ILE A 40 6.574 -5.320 -6.322 1.00 0.20 H new ATOM 0 HG13 ILE A 40 5.753 -6.265 -5.096 1.00 0.20 H new ATOM 0 HG21 ILE A 40 9.433 -5.736 -5.418 1.00 0.23 H new ATOM 0 HG22 ILE A 40 9.741 -7.293 -6.223 1.00 0.23 H new ATOM 0 HG23 ILE A 40 8.888 -5.995 -7.092 1.00 0.23 H new ATOM 0 HD11 ILE A 40 6.397 -4.069 -4.225 1.00 0.20 H new ATOM 0 HD12 ILE A 40 7.268 -5.360 -3.364 1.00 0.20 H new ATOM 0 HD13 ILE A 40 8.102 -4.400 -4.609 1.00 0.20 H new ATOM 669 N ASN A 41 5.972 -9.489 -4.995 1.00 0.25 N ATOM 670 CA ASN A 41 4.795 -10.022 -4.322 1.00 0.25 C ATOM 671 C ASN A 41 4.788 -9.577 -2.867 1.00 0.25 C ATOM 672 O ASN A 41 5.788 -9.717 -2.158 1.00 0.38 O ATOM 673 CB ASN A 41 4.718 -11.555 -4.443 1.00 0.39 C ATOM 674 CG ASN A 41 5.622 -12.313 -3.487 1.00 1.43 C ATOM 675 OD1 ASN A 41 5.046 -12.807 -2.401 1.00 2.29 O flip ATOM 676 ND2 ASN A 41 6.814 -12.494 -3.746 1.00 2.16 N flip ATOM 0 H ASN A 41 6.864 -9.822 -4.629 1.00 0.25 H new ATOM 0 HA ASN A 41 3.907 -9.624 -4.812 1.00 0.25 H new ATOM 0 HB2 ASN A 41 3.688 -11.868 -4.273 1.00 0.39 H new ATOM 0 HB3 ASN A 41 4.973 -11.839 -5.464 1.00 0.39 H new ATOM 0 HD21 ASN A 41 7.218 -12.096 -4.594 1.00 2.16 H new ATOM 0 HD22 ASN A 41 7.396 -13.042 -3.113 1.00 2.16 H new ATOM 683 N VAL A 42 3.670 -9.016 -2.433 1.00 0.19 N ATOM 684 CA VAL A 42 3.584 -8.446 -1.100 1.00 0.20 C ATOM 685 C VAL A 42 2.370 -8.973 -0.357 1.00 0.18 C ATOM 686 O VAL A 42 1.284 -9.094 -0.923 1.00 0.19 O ATOM 687 CB VAL A 42 3.531 -6.903 -1.135 1.00 0.25 C ATOM 688 CG1 VAL A 42 4.835 -6.336 -1.668 1.00 0.31 C ATOM 689 CG2 VAL A 42 2.357 -6.413 -1.971 1.00 0.27 C ATOM 0 H VAL A 42 2.814 -8.944 -2.983 1.00 0.19 H new ATOM 0 HA VAL A 42 4.489 -8.749 -0.573 1.00 0.20 H new ATOM 0 HB VAL A 42 3.389 -6.549 -0.114 1.00 0.25 H new ATOM 0 HG11 VAL A 42 4.778 -5.248 -1.685 1.00 0.31 H new ATOM 0 HG12 VAL A 42 5.657 -6.647 -1.023 1.00 0.31 H new ATOM 0 HG13 VAL A 42 5.007 -6.706 -2.679 1.00 0.31 H new ATOM 0 HG21 VAL A 42 2.345 -5.323 -1.978 1.00 0.27 H new ATOM 0 HG22 VAL A 42 2.459 -6.781 -2.992 1.00 0.27 H new ATOM 0 HG23 VAL A 42 1.426 -6.784 -1.543 1.00 0.27 H new ATOM 699 N VAL A 43 2.566 -9.306 0.903 1.00 0.18 N ATOM 700 CA VAL A 43 1.476 -9.727 1.754 1.00 0.18 C ATOM 701 C VAL A 43 0.833 -8.504 2.385 1.00 0.19 C ATOM 702 O VAL A 43 1.461 -7.799 3.176 1.00 0.29 O ATOM 703 CB VAL A 43 1.949 -10.693 2.866 1.00 0.23 C ATOM 704 CG1 VAL A 43 0.767 -11.191 3.684 1.00 0.79 C ATOM 705 CG2 VAL A 43 2.722 -11.862 2.271 1.00 0.70 C ATOM 0 H VAL A 43 3.477 -9.292 1.361 1.00 0.18 H new ATOM 0 HA VAL A 43 0.755 -10.262 1.136 1.00 0.18 H new ATOM 0 HB VAL A 43 2.617 -10.146 3.531 1.00 0.23 H new ATOM 0 HG11 VAL A 43 1.122 -11.869 4.460 1.00 0.79 H new ATOM 0 HG12 VAL A 43 0.261 -10.343 4.146 1.00 0.79 H new ATOM 0 HG13 VAL A 43 0.070 -11.718 3.033 1.00 0.79 H new ATOM 0 HG21 VAL A 43 3.045 -12.529 3.070 1.00 0.70 H new ATOM 0 HG22 VAL A 43 2.080 -12.408 1.580 1.00 0.70 H new ATOM 0 HG23 VAL A 43 3.595 -11.487 1.736 1.00 0.70 H new ATOM 715 N TYR A 44 -0.405 -8.240 2.010 1.00 0.15 N ATOM 716 CA TYR A 44 -1.135 -7.111 2.547 1.00 0.19 C ATOM 717 C TYR A 44 -1.656 -7.451 3.932 1.00 0.21 C ATOM 718 O TYR A 44 -2.352 -8.452 4.118 1.00 0.29 O ATOM 719 CB TYR A 44 -2.288 -6.734 1.609 1.00 0.24 C ATOM 720 CG TYR A 44 -3.246 -5.716 2.185 1.00 0.29 C ATOM 721 CD1 TYR A 44 -2.897 -4.374 2.277 1.00 0.35 C ATOM 722 CD2 TYR A 44 -4.500 -6.102 2.645 1.00 0.38 C ATOM 723 CE1 TYR A 44 -3.773 -3.445 2.809 1.00 0.41 C ATOM 724 CE2 TYR A 44 -5.379 -5.181 3.177 1.00 0.44 C ATOM 725 CZ TYR A 44 -5.011 -3.854 3.259 1.00 0.42 C ATOM 726 OH TYR A 44 -5.884 -2.935 3.791 1.00 0.50 O ATOM 0 H TYR A 44 -0.926 -8.796 1.332 1.00 0.15 H new ATOM 0 HA TYR A 44 -0.467 -6.254 2.627 1.00 0.19 H new ATOM 0 HB2 TYR A 44 -1.873 -6.342 0.681 1.00 0.24 H new ATOM 0 HB3 TYR A 44 -2.844 -7.636 1.354 1.00 0.24 H new ATOM 0 HD1 TYR A 44 -1.927 -4.052 1.928 1.00 0.35 H new ATOM 0 HD2 TYR A 44 -4.791 -7.140 2.585 1.00 0.38 H new ATOM 0 HE1 TYR A 44 -3.489 -2.405 2.872 1.00 0.41 H new ATOM 0 HE2 TYR A 44 -6.350 -5.497 3.527 1.00 0.44 H new ATOM 0 HH TYR A 44 -5.686 -2.047 3.427 1.00 0.50 H new ATOM 736 N THR A 45 -1.289 -6.634 4.902 1.00 0.23 N ATOM 737 CA THR A 45 -1.700 -6.850 6.273 1.00 0.29 C ATOM 738 C THR A 45 -2.835 -5.900 6.642 1.00 0.27 C ATOM 739 O THR A 45 -2.618 -4.706 6.835 1.00 0.30 O ATOM 740 CB THR A 45 -0.518 -6.644 7.239 1.00 0.39 C ATOM 741 OG1 THR A 45 0.618 -7.382 6.771 1.00 1.25 O ATOM 742 CG2 THR A 45 -0.879 -7.100 8.646 1.00 1.13 C ATOM 0 H THR A 45 -0.704 -5.811 4.762 1.00 0.23 H new ATOM 0 HA THR A 45 -2.049 -7.879 6.362 1.00 0.29 H new ATOM 0 HB THR A 45 -0.280 -5.581 7.272 1.00 0.39 H new ATOM 0 HG1 THR A 45 1.370 -7.249 7.385 1.00 1.25 H new ATOM 0 HG21 THR A 45 -0.028 -6.944 9.309 1.00 1.13 H new ATOM 0 HG22 THR A 45 -1.731 -6.524 9.008 1.00 1.13 H new ATOM 0 HG23 THR A 45 -1.137 -8.159 8.630 1.00 1.13 H new ATOM 750 N PRO A 46 -4.067 -6.422 6.715 1.00 0.30 N ATOM 751 CA PRO A 46 -5.240 -5.634 7.082 1.00 0.33 C ATOM 752 C PRO A 46 -5.217 -5.245 8.555 1.00 0.32 C ATOM 753 O PRO A 46 -5.129 -6.108 9.433 1.00 0.35 O ATOM 754 CB PRO A 46 -6.422 -6.571 6.793 1.00 0.40 C ATOM 755 CG PRO A 46 -5.848 -7.704 6.008 1.00 0.43 C ATOM 756 CD PRO A 46 -4.421 -7.817 6.444 1.00 0.38 C ATOM 0 HA PRO A 46 -5.291 -4.696 6.529 1.00 0.33 H new ATOM 0 HB2 PRO A 46 -6.878 -6.925 7.718 1.00 0.40 H new ATOM 0 HB3 PRO A 46 -7.201 -6.058 6.230 1.00 0.40 H new ATOM 0 HG2 PRO A 46 -6.391 -8.629 6.202 1.00 0.43 H new ATOM 0 HG3 PRO A 46 -5.916 -7.513 4.937 1.00 0.43 H new ATOM 0 HD2 PRO A 46 -4.315 -8.443 7.330 1.00 0.38 H new ATOM 0 HD3 PRO A 46 -3.792 -8.253 5.668 1.00 0.38 H new ATOM 764 N PRO A 47 -5.272 -3.935 8.837 1.00 0.33 N ATOM 765 CA PRO A 47 -5.288 -3.408 10.204 1.00 0.37 C ATOM 766 C PRO A 47 -6.436 -3.977 11.040 1.00 0.40 C ATOM 767 O PRO A 47 -7.443 -4.458 10.513 1.00 0.41 O ATOM 768 CB PRO A 47 -5.454 -1.891 10.018 1.00 0.37 C ATOM 769 CG PRO A 47 -5.855 -1.694 8.594 1.00 0.48 C ATOM 770 CD PRO A 47 -5.303 -2.860 7.834 1.00 0.35 C ATOM 0 HA PRO A 47 -4.383 -3.681 10.746 1.00 0.37 H new ATOM 0 HB2 PRO A 47 -6.211 -1.495 10.695 1.00 0.37 H new ATOM 0 HB3 PRO A 47 -4.524 -1.367 10.238 1.00 0.37 H new ATOM 0 HG2 PRO A 47 -6.940 -1.647 8.499 1.00 0.48 H new ATOM 0 HG3 PRO A 47 -5.460 -0.755 8.206 1.00 0.48 H new ATOM 0 HD2 PRO A 47 -5.934 -3.121 6.984 1.00 0.35 H new ATOM 0 HD3 PRO A 47 -4.309 -2.649 7.440 1.00 0.35 H new ATOM 778 N GLN A 48 -6.254 -3.902 12.354 1.00 0.52 N ATOM 779 CA GLN A 48 -7.141 -4.524 13.338 1.00 0.63 C ATOM 780 C GLN A 48 -8.592 -4.066 13.215 1.00 0.57 C ATOM 781 O GLN A 48 -9.503 -4.752 13.678 1.00 0.68 O ATOM 782 CB GLN A 48 -6.618 -4.225 14.744 1.00 0.83 C ATOM 783 CG GLN A 48 -6.350 -2.746 14.987 1.00 0.89 C ATOM 784 CD GLN A 48 -5.744 -2.473 16.349 1.00 1.22 C ATOM 785 OE1 GLN A 48 -5.046 -3.316 16.914 1.00 1.54 O ATOM 786 NE2 GLN A 48 -5.991 -1.287 16.875 1.00 1.92 N ATOM 0 H GLN A 48 -5.473 -3.399 12.775 1.00 0.52 H new ATOM 0 HA GLN A 48 -7.138 -5.597 13.144 1.00 0.63 H new ATOM 0 HB2 GLN A 48 -7.343 -4.581 15.477 1.00 0.83 H new ATOM 0 HB3 GLN A 48 -5.698 -4.785 14.908 1.00 0.83 H new ATOM 0 HG2 GLN A 48 -5.678 -2.372 14.214 1.00 0.89 H new ATOM 0 HG3 GLN A 48 -7.284 -2.192 14.893 1.00 0.89 H new ATOM 0 HE21 GLN A 48 -6.575 -0.618 16.373 1.00 1.92 H new ATOM 0 HE22 GLN A 48 -5.598 -1.040 17.783 1.00 1.92 H new ATOM 795 N SER A 49 -8.808 -2.914 12.603 1.00 0.49 N ATOM 796 CA SER A 49 -10.150 -2.387 12.428 1.00 0.51 C ATOM 797 C SER A 49 -10.847 -3.037 11.232 1.00 0.51 C ATOM 798 O SER A 49 -12.064 -2.929 11.070 1.00 0.59 O ATOM 799 CB SER A 49 -10.081 -0.873 12.254 1.00 0.56 C ATOM 800 OG SER A 49 -9.097 -0.516 11.294 1.00 1.58 O ATOM 0 H SER A 49 -8.069 -2.325 12.218 1.00 0.49 H new ATOM 0 HA SER A 49 -10.738 -2.621 13.316 1.00 0.51 H new ATOM 0 HB2 SER A 49 -11.054 -0.495 11.941 1.00 0.56 H new ATOM 0 HB3 SER A 49 -9.849 -0.404 13.210 1.00 0.56 H new ATOM 0 HG SER A 49 -9.343 0.335 10.874 1.00 1.58 H new ATOM 806 N PHE A 50 -10.074 -3.720 10.397 1.00 0.47 N ATOM 807 CA PHE A 50 -10.616 -4.367 9.208 1.00 0.51 C ATOM 808 C PHE A 50 -11.080 -5.778 9.525 1.00 0.58 C ATOM 809 O PHE A 50 -12.103 -6.232 9.015 1.00 0.67 O ATOM 810 CB PHE A 50 -9.574 -4.422 8.085 1.00 0.49 C ATOM 811 CG PHE A 50 -9.248 -3.097 7.448 1.00 0.50 C ATOM 812 CD1 PHE A 50 -9.313 -1.936 8.198 1.00 0.50 C ATOM 813 CD2 PHE A 50 -8.888 -3.008 6.111 1.00 0.69 C ATOM 814 CE1 PHE A 50 -9.030 -0.711 7.629 1.00 0.57 C ATOM 815 CE2 PHE A 50 -8.600 -1.784 5.537 1.00 0.76 C ATOM 816 CZ PHE A 50 -8.617 -0.672 6.247 1.00 0.65 C ATOM 0 H PHE A 50 -9.069 -3.840 10.521 1.00 0.47 H new ATOM 0 HA PHE A 50 -11.467 -3.772 8.875 1.00 0.51 H new ATOM 0 HB2 PHE A 50 -8.655 -4.851 8.484 1.00 0.49 H new ATOM 0 HB3 PHE A 50 -9.933 -5.101 7.311 1.00 0.49 H new ATOM 0 HD1 PHE A 50 -9.588 -1.989 9.241 1.00 0.50 H new ATOM 0 HD2 PHE A 50 -8.832 -3.905 5.512 1.00 0.69 H new ATOM 0 HE1 PHE A 50 -9.116 0.198 8.205 1.00 0.57 H new ATOM 0 HE2 PHE A 50 -8.356 -1.737 4.486 1.00 0.76 H new ATOM 0 HZ PHE A 50 -8.323 0.264 5.795 1.00 0.65 H new ATOM 826 N GLN A 51 -10.303 -6.461 10.371 1.00 0.58 N ATOM 827 CA GLN A 51 -10.560 -7.854 10.742 1.00 0.67 C ATOM 828 C GLN A 51 -10.504 -8.769 9.521 1.00 0.65 C ATOM 829 O GLN A 51 -11.099 -9.846 9.505 1.00 0.88 O ATOM 830 CB GLN A 51 -11.905 -8.001 11.451 1.00 0.82 C ATOM 831 CG GLN A 51 -11.978 -7.283 12.791 1.00 0.94 C ATOM 832 CD GLN A 51 -13.289 -7.532 13.510 1.00 1.28 C ATOM 833 OE1 GLN A 51 -13.904 -8.589 13.365 1.00 1.77 O ATOM 834 NE2 GLN A 51 -13.727 -6.563 14.297 1.00 1.99 N ATOM 0 H GLN A 51 -9.477 -6.062 10.818 1.00 0.58 H new ATOM 0 HA GLN A 51 -9.774 -8.155 11.435 1.00 0.67 H new ATOM 0 HB2 GLN A 51 -12.691 -7.617 10.801 1.00 0.82 H new ATOM 0 HB3 GLN A 51 -12.109 -9.060 11.606 1.00 0.82 H new ATOM 0 HG2 GLN A 51 -11.153 -7.613 13.422 1.00 0.94 H new ATOM 0 HG3 GLN A 51 -11.851 -6.212 12.634 1.00 0.94 H new ATOM 0 HE21 GLN A 51 -13.190 -5.701 14.392 1.00 1.99 H new ATOM 0 HE22 GLN A 51 -14.602 -6.678 14.809 1.00 1.99 H new ATOM 843 N SER A 52 -9.761 -8.340 8.512 1.00 0.51 N ATOM 844 CA SER A 52 -9.618 -9.108 7.290 1.00 0.51 C ATOM 845 C SER A 52 -8.363 -9.973 7.368 1.00 0.43 C ATOM 846 O SER A 52 -7.409 -9.633 8.070 1.00 0.44 O ATOM 847 CB SER A 52 -9.547 -8.166 6.083 1.00 0.53 C ATOM 848 OG SER A 52 -9.514 -8.886 4.860 1.00 1.35 O ATOM 0 H SER A 52 -9.246 -7.459 8.518 1.00 0.51 H new ATOM 0 HA SER A 52 -10.485 -9.758 7.170 1.00 0.51 H new ATOM 0 HB2 SER A 52 -10.409 -7.499 6.090 1.00 0.53 H new ATOM 0 HB3 SER A 52 -8.658 -7.540 6.161 1.00 0.53 H new ATOM 0 HG SER A 52 -9.471 -8.256 4.111 1.00 1.35 H new ATOM 854 N ALA A 53 -8.373 -11.088 6.656 1.00 0.46 N ATOM 855 CA ALA A 53 -7.240 -12.002 6.646 1.00 0.43 C ATOM 856 C ALA A 53 -6.146 -11.487 5.718 1.00 0.36 C ATOM 857 O ALA A 53 -6.436 -11.033 4.607 1.00 0.38 O ATOM 858 CB ALA A 53 -7.693 -13.392 6.216 1.00 0.50 C ATOM 0 H ALA A 53 -9.157 -11.384 6.074 1.00 0.46 H new ATOM 0 HA ALA A 53 -6.832 -12.063 7.655 1.00 0.43 H new ATOM 0 HB1 ALA A 53 -6.838 -14.068 6.212 1.00 0.50 H new ATOM 0 HB2 ALA A 53 -8.445 -13.762 6.913 1.00 0.50 H new ATOM 0 HB3 ALA A 53 -8.121 -13.342 5.215 1.00 0.50 H new ATOM 864 N PRO A 54 -4.877 -11.521 6.175 1.00 0.33 N ATOM 865 CA PRO A 54 -3.730 -11.108 5.363 1.00 0.30 C ATOM 866 C PRO A 54 -3.703 -11.832 4.023 1.00 0.28 C ATOM 867 O PRO A 54 -3.815 -13.059 3.963 1.00 0.29 O ATOM 868 CB PRO A 54 -2.521 -11.500 6.215 1.00 0.35 C ATOM 869 CG PRO A 54 -3.033 -11.514 7.614 1.00 0.56 C ATOM 870 CD PRO A 54 -4.470 -11.948 7.528 1.00 0.39 C ATOM 0 HA PRO A 54 -3.756 -10.046 5.120 1.00 0.30 H new ATOM 0 HB2 PRO A 54 -2.133 -12.476 5.926 1.00 0.35 H new ATOM 0 HB3 PRO A 54 -1.706 -10.786 6.099 1.00 0.35 H new ATOM 0 HG2 PRO A 54 -2.455 -12.200 8.234 1.00 0.56 H new ATOM 0 HG3 PRO A 54 -2.951 -10.527 8.069 1.00 0.56 H new ATOM 0 HD2 PRO A 54 -4.573 -13.025 7.657 1.00 0.39 H new ATOM 0 HD3 PRO A 54 -5.079 -11.475 8.299 1.00 0.39 H new ATOM 878 N ARG A 55 -3.538 -11.069 2.956 1.00 0.27 N ATOM 879 CA ARG A 55 -3.648 -11.608 1.613 1.00 0.30 C ATOM 880 C ARG A 55 -2.539 -11.057 0.728 1.00 0.24 C ATOM 881 O ARG A 55 -2.258 -9.863 0.746 1.00 0.20 O ATOM 882 CB ARG A 55 -5.023 -11.258 1.041 1.00 0.41 C ATOM 883 CG ARG A 55 -5.347 -11.951 -0.270 1.00 0.52 C ATOM 884 CD ARG A 55 -6.771 -11.656 -0.707 1.00 0.82 C ATOM 885 NE ARG A 55 -7.750 -12.078 0.300 1.00 1.64 N ATOM 886 CZ ARG A 55 -8.853 -11.392 0.606 1.00 2.46 C ATOM 887 NH1 ARG A 55 -9.086 -10.216 0.033 1.00 2.66 N ATOM 888 NH2 ARG A 55 -9.711 -11.874 1.502 1.00 3.34 N ATOM 0 H ARG A 55 -3.327 -10.072 2.995 1.00 0.27 H new ATOM 0 HA ARG A 55 -3.542 -12.692 1.647 1.00 0.30 H new ATOM 0 HB2 ARG A 55 -5.786 -11.518 1.775 1.00 0.41 H new ATOM 0 HB3 ARG A 55 -5.078 -10.180 0.892 1.00 0.41 H new ATOM 0 HG2 ARG A 55 -4.651 -11.621 -1.041 1.00 0.52 H new ATOM 0 HG3 ARG A 55 -5.213 -13.027 -0.159 1.00 0.52 H new ATOM 0 HD2 ARG A 55 -6.880 -10.588 -0.894 1.00 0.82 H new ATOM 0 HD3 ARG A 55 -6.975 -12.166 -1.648 1.00 0.82 H new ATOM 0 HE ARG A 55 -7.577 -12.951 0.798 1.00 1.64 H new ATOM 0 HH11 ARG A 55 -8.421 -9.837 -0.642 1.00 2.66 H new ATOM 0 HH12 ARG A 55 -9.929 -9.693 0.268 1.00 2.66 H new ATOM 0 HH21 ARG A 55 -9.526 -12.769 1.956 1.00 3.34 H new ATOM 0 HH22 ARG A 55 -10.554 -11.349 1.735 1.00 3.34 H new ATOM 902 N VAL A 56 -1.906 -11.932 -0.038 1.00 0.27 N ATOM 903 CA VAL A 56 -0.780 -11.537 -0.870 1.00 0.25 C ATOM 904 C VAL A 56 -1.255 -11.039 -2.239 1.00 0.25 C ATOM 905 O VAL A 56 -2.214 -11.569 -2.805 1.00 0.31 O ATOM 906 CB VAL A 56 0.224 -12.706 -1.038 1.00 0.32 C ATOM 907 CG1 VAL A 56 -0.427 -13.895 -1.727 1.00 1.22 C ATOM 908 CG2 VAL A 56 1.468 -12.260 -1.795 1.00 1.18 C ATOM 0 H VAL A 56 -2.153 -12.920 -0.101 1.00 0.27 H new ATOM 0 HA VAL A 56 -0.269 -10.716 -0.367 1.00 0.25 H new ATOM 0 HB VAL A 56 0.531 -13.020 -0.040 1.00 0.32 H new ATOM 0 HG11 VAL A 56 0.302 -14.699 -1.831 1.00 1.22 H new ATOM 0 HG12 VAL A 56 -1.270 -14.244 -1.131 1.00 1.22 H new ATOM 0 HG13 VAL A 56 -0.780 -13.595 -2.714 1.00 1.22 H new ATOM 0 HG21 VAL A 56 2.153 -13.102 -1.897 1.00 1.18 H new ATOM 0 HG22 VAL A 56 1.183 -11.902 -2.784 1.00 1.18 H new ATOM 0 HG23 VAL A 56 1.959 -11.457 -1.246 1.00 1.18 H new ATOM 918 N TYR A 57 -0.591 -10.008 -2.753 1.00 0.20 N ATOM 919 CA TYR A 57 -0.931 -9.438 -4.047 1.00 0.20 C ATOM 920 C TYR A 57 0.331 -9.231 -4.873 1.00 0.19 C ATOM 921 O TYR A 57 1.420 -9.050 -4.322 1.00 0.21 O ATOM 922 CB TYR A 57 -1.662 -8.100 -3.877 1.00 0.20 C ATOM 923 CG TYR A 57 -3.033 -8.219 -3.243 1.00 0.27 C ATOM 924 CD1 TYR A 57 -4.083 -8.824 -3.924 1.00 0.36 C ATOM 925 CD2 TYR A 57 -3.276 -7.727 -1.966 1.00 0.36 C ATOM 926 CE1 TYR A 57 -5.337 -8.935 -3.352 1.00 0.45 C ATOM 927 CE2 TYR A 57 -4.528 -7.832 -1.387 1.00 0.45 C ATOM 928 CZ TYR A 57 -5.554 -8.437 -2.083 1.00 0.46 C ATOM 929 OH TYR A 57 -6.799 -8.546 -1.507 1.00 0.57 O ATOM 0 H TYR A 57 0.191 -9.549 -2.287 1.00 0.20 H new ATOM 0 HA TYR A 57 -1.592 -10.133 -4.564 1.00 0.20 H new ATOM 0 HB2 TYR A 57 -1.048 -7.438 -3.267 1.00 0.20 H new ATOM 0 HB3 TYR A 57 -1.765 -7.628 -4.854 1.00 0.20 H new ATOM 0 HD1 TYR A 57 -3.916 -9.214 -4.917 1.00 0.36 H new ATOM 0 HD2 TYR A 57 -2.475 -7.255 -1.417 1.00 0.36 H new ATOM 0 HE1 TYR A 57 -6.142 -9.408 -3.895 1.00 0.45 H new ATOM 0 HE2 TYR A 57 -4.701 -7.442 -0.395 1.00 0.45 H new ATOM 0 HH TYR A 57 -6.782 -8.146 -0.612 1.00 0.57 H new ATOM 939 N ARG A 58 0.187 -9.272 -6.189 1.00 0.23 N ATOM 940 CA ARG A 58 1.313 -9.062 -7.083 1.00 0.27 C ATOM 941 C ARG A 58 1.395 -7.590 -7.466 1.00 0.25 C ATOM 942 O ARG A 58 0.433 -7.017 -7.977 1.00 0.37 O ATOM 943 CB ARG A 58 1.169 -9.928 -8.341 1.00 0.40 C ATOM 944 CG ARG A 58 2.428 -9.995 -9.196 1.00 0.57 C ATOM 945 CD ARG A 58 3.552 -10.718 -8.474 1.00 1.11 C ATOM 946 NE ARG A 58 4.753 -10.832 -9.301 1.00 1.96 N ATOM 947 CZ ARG A 58 5.819 -11.564 -8.977 1.00 2.71 C ATOM 948 NH1 ARG A 58 5.843 -12.255 -7.842 1.00 2.90 N ATOM 949 NH2 ARG A 58 6.864 -11.600 -9.790 1.00 3.71 N ATOM 0 H ARG A 58 -0.700 -9.449 -6.661 1.00 0.23 H new ATOM 0 HA ARG A 58 2.230 -9.352 -6.570 1.00 0.27 H new ATOM 0 HB2 ARG A 58 0.890 -10.939 -8.043 1.00 0.40 H new ATOM 0 HB3 ARG A 58 0.351 -9.537 -8.947 1.00 0.40 H new ATOM 0 HG2 ARG A 58 2.207 -10.507 -10.132 1.00 0.57 H new ATOM 0 HG3 ARG A 58 2.749 -8.986 -9.453 1.00 0.57 H new ATOM 0 HD2 ARG A 58 3.794 -10.184 -7.555 1.00 1.11 H new ATOM 0 HD3 ARG A 58 3.215 -11.714 -8.185 1.00 1.11 H new ATOM 0 HE ARG A 58 4.776 -10.319 -10.182 1.00 1.96 H new ATOM 0 HH11 ARG A 58 5.042 -12.228 -7.211 1.00 2.90 H new ATOM 0 HH12 ARG A 58 6.663 -12.813 -7.602 1.00 2.90 H new ATOM 0 HH21 ARG A 58 6.851 -11.069 -10.661 1.00 3.71 H new ATOM 0 HH22 ARG A 58 7.681 -12.159 -9.545 1.00 3.71 H new ATOM 963 N VAL A 59 2.535 -6.984 -7.193 1.00 0.19 N ATOM 964 CA VAL A 59 2.753 -5.585 -7.505 1.00 0.17 C ATOM 965 C VAL A 59 3.208 -5.413 -8.938 1.00 0.17 C ATOM 966 O VAL A 59 4.285 -5.889 -9.322 1.00 0.18 O ATOM 967 CB VAL A 59 3.817 -4.951 -6.584 1.00 0.18 C ATOM 968 CG1 VAL A 59 4.071 -3.500 -6.963 1.00 0.20 C ATOM 969 CG2 VAL A 59 3.405 -5.050 -5.131 1.00 0.20 C ATOM 0 H VAL A 59 3.331 -7.444 -6.752 1.00 0.19 H new ATOM 0 HA VAL A 59 1.797 -5.084 -7.351 1.00 0.17 H new ATOM 0 HB VAL A 59 4.744 -5.508 -6.717 1.00 0.18 H new ATOM 0 HG11 VAL A 59 4.825 -3.077 -6.299 1.00 0.20 H new ATOM 0 HG12 VAL A 59 4.425 -3.450 -7.993 1.00 0.20 H new ATOM 0 HG13 VAL A 59 3.145 -2.932 -6.870 1.00 0.20 H new ATOM 0 HG21 VAL A 59 4.172 -4.596 -4.504 1.00 0.20 H new ATOM 0 HG22 VAL A 59 2.460 -4.527 -4.984 1.00 0.20 H new ATOM 0 HG23 VAL A 59 3.286 -6.098 -4.857 1.00 0.20 H new ATOM 979 N ASN A 60 2.382 -4.729 -9.716 1.00 0.17 N ATOM 980 CA ASN A 60 2.761 -4.301 -11.051 1.00 0.18 C ATOM 981 C ASN A 60 3.591 -3.036 -10.944 1.00 0.18 C ATOM 982 O ASN A 60 4.478 -2.785 -11.761 1.00 0.21 O ATOM 983 CB ASN A 60 1.525 -4.052 -11.926 1.00 0.23 C ATOM 984 CG ASN A 60 0.927 -5.334 -12.478 1.00 1.14 C ATOM 985 OD1 ASN A 60 1.056 -6.405 -11.884 1.00 2.02 O ATOM 986 ND2 ASN A 60 0.268 -5.233 -13.623 1.00 1.61 N ATOM 0 H ASN A 60 1.438 -4.458 -9.441 1.00 0.17 H new ATOM 0 HA ASN A 60 3.345 -5.091 -11.523 1.00 0.18 H new ATOM 0 HB2 ASN A 60 0.770 -3.527 -11.340 1.00 0.23 H new ATOM 0 HB3 ASN A 60 1.797 -3.398 -12.754 1.00 0.23 H new ATOM 0 HD21 ASN A 60 -0.155 -6.061 -14.043 1.00 1.61 H new ATOM 0 HD22 ASN A 60 0.183 -4.327 -14.084 1.00 1.61 H new ATOM 993 N GLY A 61 3.296 -2.243 -9.921 1.00 0.18 N ATOM 994 CA GLY A 61 4.086 -1.063 -9.651 1.00 0.23 C ATOM 995 C GLY A 61 3.367 -0.087 -8.751 1.00 0.21 C ATOM 996 O GLY A 61 2.691 -0.491 -7.805 1.00 0.21 O ATOM 0 H GLY A 61 2.522 -2.399 -9.275 1.00 0.18 H new ATOM 0 HA2 GLY A 61 5.027 -1.357 -9.186 1.00 0.23 H new ATOM 0 HA3 GLY A 61 4.335 -0.572 -10.592 1.00 0.23 H new ATOM 1000 N LEU A 62 3.496 1.194 -9.049 1.00 0.25 N ATOM 1001 CA LEU A 62 2.887 2.231 -8.232 1.00 0.28 C ATOM 1002 C LEU A 62 1.974 3.121 -9.044 1.00 0.32 C ATOM 1003 O LEU A 62 2.030 3.157 -10.275 1.00 0.33 O ATOM 1004 CB LEU A 62 3.942 3.106 -7.575 1.00 0.32 C ATOM 1005 CG LEU A 62 4.758 2.450 -6.475 1.00 0.34 C ATOM 1006 CD1 LEU A 62 5.694 3.468 -5.881 1.00 0.42 C ATOM 1007 CD2 LEU A 62 3.850 1.890 -5.400 1.00 0.35 C ATOM 0 H LEU A 62 4.018 1.542 -9.853 1.00 0.25 H new ATOM 0 HA LEU A 62 2.305 1.715 -7.469 1.00 0.28 H new ATOM 0 HB2 LEU A 62 4.626 3.458 -8.347 1.00 0.32 H new ATOM 0 HB3 LEU A 62 3.450 3.985 -7.160 1.00 0.32 H new ATOM 0 HG LEU A 62 5.332 1.626 -6.899 1.00 0.34 H new ATOM 0 HD11 LEU A 62 6.283 3.003 -5.090 1.00 0.42 H new ATOM 0 HD12 LEU A 62 6.361 3.845 -6.656 1.00 0.42 H new ATOM 0 HD13 LEU A 62 5.117 4.294 -5.466 1.00 0.42 H new ATOM 0 HD21 LEU A 62 4.453 1.424 -4.621 1.00 0.35 H new ATOM 0 HD22 LEU A 62 3.258 2.697 -4.967 1.00 0.35 H new ATOM 0 HD23 LEU A 62 3.184 1.146 -5.837 1.00 0.35 H new ATOM 1019 N SER A 63 1.129 3.826 -8.326 1.00 0.39 N ATOM 1020 CA SER A 63 0.260 4.815 -8.904 1.00 0.48 C ATOM 1021 C SER A 63 0.946 6.173 -8.837 1.00 0.49 C ATOM 1022 O SER A 63 1.566 6.508 -7.829 1.00 0.60 O ATOM 1023 CB SER A 63 -1.051 4.835 -8.128 1.00 0.66 C ATOM 1024 OG SER A 63 -2.073 5.497 -8.854 1.00 1.57 O ATOM 0 H SER A 63 1.028 3.725 -7.316 1.00 0.39 H new ATOM 0 HA SER A 63 0.048 4.578 -9.947 1.00 0.48 H new ATOM 0 HB2 SER A 63 -1.362 3.813 -7.909 1.00 0.66 H new ATOM 0 HB3 SER A 63 -0.901 5.334 -7.171 1.00 0.66 H new ATOM 0 HG SER A 63 -2.902 5.492 -8.331 1.00 1.57 H new ATOM 1030 N ARG A 64 0.830 6.947 -9.907 1.00 0.66 N ATOM 1031 CA ARG A 64 1.511 8.233 -10.012 1.00 0.78 C ATOM 1032 C ARG A 64 0.911 9.279 -9.079 1.00 0.61 C ATOM 1033 O ARG A 64 1.441 10.384 -8.957 1.00 0.71 O ATOM 1034 CB ARG A 64 1.487 8.721 -11.456 1.00 1.08 C ATOM 1035 CG ARG A 64 2.443 7.954 -12.350 1.00 1.53 C ATOM 1036 CD ARG A 64 3.887 8.324 -12.051 1.00 2.14 C ATOM 1037 NE ARG A 64 4.814 7.252 -12.400 1.00 2.62 N ATOM 1038 CZ ARG A 64 5.779 7.346 -13.310 1.00 3.27 C ATOM 1039 NH1 ARG A 64 5.987 8.485 -13.961 1.00 3.51 N ATOM 1040 NH2 ARG A 64 6.553 6.296 -13.550 1.00 4.02 N ATOM 0 H ARG A 64 0.266 6.705 -10.722 1.00 0.66 H new ATOM 0 HA ARG A 64 2.545 8.086 -9.701 1.00 0.78 H new ATOM 0 HB2 ARG A 64 0.475 8.628 -11.850 1.00 1.08 H new ATOM 0 HB3 ARG A 64 1.743 9.780 -11.481 1.00 1.08 H new ATOM 0 HG2 ARG A 64 2.301 6.883 -12.205 1.00 1.53 H new ATOM 0 HG3 ARG A 64 2.219 8.167 -13.395 1.00 1.53 H new ATOM 0 HD2 ARG A 64 4.151 9.225 -12.604 1.00 2.14 H new ATOM 0 HD3 ARG A 64 3.988 8.559 -10.991 1.00 2.14 H new ATOM 0 HE ARG A 64 4.714 6.364 -11.909 1.00 2.62 H new ATOM 0 HH11 ARG A 64 5.404 9.298 -13.765 1.00 3.51 H new ATOM 0 HH12 ARG A 64 6.730 8.546 -14.657 1.00 3.51 H new ATOM 0 HH21 ARG A 64 6.405 5.426 -13.038 1.00 4.02 H new ATOM 0 HH22 ARG A 64 7.296 6.358 -14.246 1.00 4.02 H new ATOM 1054 N ALA A 65 -0.181 8.930 -8.417 1.00 0.44 N ATOM 1055 CA ALA A 65 -0.828 9.838 -7.488 1.00 0.36 C ATOM 1056 C ALA A 65 -0.851 9.256 -6.074 1.00 0.33 C ATOM 1057 O ALA A 65 -1.235 8.100 -5.867 1.00 0.33 O ATOM 1058 CB ALA A 65 -2.238 10.153 -7.961 1.00 0.47 C ATOM 0 H ALA A 65 -0.637 8.022 -8.507 1.00 0.44 H new ATOM 0 HA ALA A 65 -0.253 10.763 -7.457 1.00 0.36 H new ATOM 0 HB1 ALA A 65 -2.714 10.835 -7.257 1.00 0.47 H new ATOM 0 HB2 ALA A 65 -2.196 10.619 -8.945 1.00 0.47 H new ATOM 0 HB3 ALA A 65 -2.816 9.231 -8.021 1.00 0.47 H new ATOM 1064 N PRO A 66 -0.397 10.056 -5.092 1.00 0.36 N ATOM 1065 CA PRO A 66 -0.412 9.684 -3.667 1.00 0.37 C ATOM 1066 C PRO A 66 -1.813 9.350 -3.155 1.00 0.33 C ATOM 1067 O PRO A 66 -2.819 9.792 -3.717 1.00 0.34 O ATOM 1068 CB PRO A 66 0.104 10.944 -2.970 1.00 0.45 C ATOM 1069 CG PRO A 66 0.902 11.653 -4.006 1.00 0.52 C ATOM 1070 CD PRO A 66 0.206 11.384 -5.305 1.00 0.41 C ATOM 0 HA PRO A 66 0.182 8.789 -3.482 1.00 0.37 H new ATOM 0 HB2 PRO A 66 -0.719 11.563 -2.612 1.00 0.45 H new ATOM 0 HB3 PRO A 66 0.715 10.694 -2.103 1.00 0.45 H new ATOM 0 HG2 PRO A 66 0.949 12.722 -3.801 1.00 0.52 H new ATOM 0 HG3 PRO A 66 1.929 11.287 -4.028 1.00 0.52 H new ATOM 0 HD2 PRO A 66 -0.549 12.140 -5.522 1.00 0.41 H new ATOM 0 HD3 PRO A 66 0.903 11.381 -6.143 1.00 0.41 H new ATOM 1078 N ALA A 67 -1.860 8.589 -2.061 1.00 0.35 N ATOM 1079 CA ALA A 67 -3.118 8.103 -1.488 1.00 0.35 C ATOM 1080 C ALA A 67 -3.974 9.242 -0.950 1.00 0.32 C ATOM 1081 O ALA A 67 -5.174 9.076 -0.719 1.00 0.34 O ATOM 1082 CB ALA A 67 -2.835 7.091 -0.388 1.00 0.40 C ATOM 0 H ALA A 67 -1.030 8.292 -1.548 1.00 0.35 H new ATOM 0 HA ALA A 67 -3.681 7.620 -2.287 1.00 0.35 H new ATOM 0 HB1 ALA A 67 -3.777 6.736 0.031 1.00 0.40 H new ATOM 0 HB2 ALA A 67 -2.282 6.248 -0.803 1.00 0.40 H new ATOM 0 HB3 ALA A 67 -2.243 7.562 0.397 1.00 0.40 H new ATOM 1088 N SER A 68 -3.353 10.391 -0.747 1.00 0.36 N ATOM 1089 CA SER A 68 -4.055 11.571 -0.276 1.00 0.39 C ATOM 1090 C SER A 68 -4.666 12.349 -1.440 1.00 0.39 C ATOM 1091 O SER A 68 -5.404 13.310 -1.233 1.00 0.47 O ATOM 1092 CB SER A 68 -3.087 12.458 0.500 1.00 0.46 C ATOM 1093 OG SER A 68 -1.896 12.660 -0.242 1.00 1.08 O ATOM 0 H SER A 68 -2.355 10.532 -0.903 1.00 0.36 H new ATOM 0 HA SER A 68 -4.868 11.256 0.378 1.00 0.39 H new ATOM 0 HB2 SER A 68 -3.556 13.418 0.714 1.00 0.46 H new ATOM 0 HB3 SER A 68 -2.851 11.997 1.459 1.00 0.46 H new ATOM 0 HG SER A 68 -1.353 13.350 0.193 1.00 1.08 H new ATOM 1099 N SER A 69 -4.350 11.932 -2.662 1.00 0.37 N ATOM 1100 CA SER A 69 -4.851 12.610 -3.850 1.00 0.41 C ATOM 1101 C SER A 69 -5.903 11.762 -4.556 1.00 0.43 C ATOM 1102 O SER A 69 -6.946 12.275 -4.968 1.00 0.58 O ATOM 1103 CB SER A 69 -3.697 12.920 -4.807 1.00 0.48 C ATOM 1104 OG SER A 69 -4.137 13.679 -5.922 1.00 1.15 O ATOM 0 H SER A 69 -3.751 11.129 -2.854 1.00 0.37 H new ATOM 0 HA SER A 69 -5.316 13.545 -3.539 1.00 0.41 H new ATOM 0 HB2 SER A 69 -2.920 13.469 -4.276 1.00 0.48 H new ATOM 0 HB3 SER A 69 -3.250 11.988 -5.153 1.00 0.48 H new ATOM 0 HG SER A 69 -3.377 13.862 -6.513 1.00 1.15 H new ATOM 1110 N GLU A 70 -5.624 10.469 -4.689 1.00 0.40 N ATOM 1111 CA GLU A 70 -6.524 9.558 -5.387 1.00 0.47 C ATOM 1112 C GLU A 70 -7.874 9.465 -4.696 1.00 0.45 C ATOM 1113 O GLU A 70 -7.961 9.182 -3.501 1.00 0.40 O ATOM 1114 CB GLU A 70 -5.898 8.172 -5.518 1.00 0.53 C ATOM 1115 CG GLU A 70 -4.817 8.104 -6.583 1.00 0.69 C ATOM 1116 CD GLU A 70 -5.362 8.372 -7.973 1.00 0.71 C ATOM 1117 OE1 GLU A 70 -5.632 9.548 -8.292 1.00 0.79 O ATOM 1118 OE2 GLU A 70 -5.512 7.409 -8.759 1.00 1.09 O ATOM 0 H GLU A 70 -4.781 10.028 -4.322 1.00 0.40 H new ATOM 0 HA GLU A 70 -6.687 9.964 -6.385 1.00 0.47 H new ATOM 0 HB2 GLU A 70 -5.472 7.880 -4.558 1.00 0.53 H new ATOM 0 HB3 GLU A 70 -6.678 7.448 -5.754 1.00 0.53 H new ATOM 0 HG2 GLU A 70 -4.038 8.831 -6.354 1.00 0.69 H new ATOM 0 HG3 GLU A 70 -4.350 7.119 -6.562 1.00 0.69 H new ATOM 1125 N THR A 71 -8.921 9.698 -5.471 1.00 0.57 N ATOM 1126 CA THR A 71 -10.277 9.717 -4.958 1.00 0.59 C ATOM 1127 C THR A 71 -11.153 8.681 -5.650 1.00 0.67 C ATOM 1128 O THR A 71 -10.917 8.324 -6.805 1.00 0.75 O ATOM 1129 CB THR A 71 -10.923 11.107 -5.146 1.00 0.67 C ATOM 1130 OG1 THR A 71 -10.562 11.652 -6.424 1.00 0.93 O ATOM 1131 CG2 THR A 71 -10.512 12.069 -4.047 1.00 0.67 C ATOM 0 H THR A 71 -8.852 9.879 -6.472 1.00 0.57 H new ATOM 0 HA THR A 71 -10.210 9.481 -3.896 1.00 0.59 H new ATOM 0 HB THR A 71 -12.004 10.976 -5.095 1.00 0.67 H new ATOM 0 HG1 THR A 71 -10.978 12.532 -6.534 1.00 0.93 H new ATOM 0 HG21 THR A 71 -10.986 13.036 -4.214 1.00 0.67 H new ATOM 0 HG22 THR A 71 -10.825 11.673 -3.081 1.00 0.67 H new ATOM 0 HG23 THR A 71 -9.429 12.190 -4.056 1.00 0.67 H new ATOM 1139 N PHE A 72 -12.156 8.203 -4.936 1.00 0.67 N ATOM 1140 CA PHE A 72 -13.168 7.334 -5.512 1.00 0.74 C ATOM 1141 C PHE A 72 -14.526 7.693 -4.927 1.00 0.76 C ATOM 1142 O PHE A 72 -14.605 8.214 -3.811 1.00 0.74 O ATOM 1143 CB PHE A 72 -12.834 5.856 -5.272 1.00 0.75 C ATOM 1144 CG PHE A 72 -12.695 5.469 -3.827 1.00 0.67 C ATOM 1145 CD1 PHE A 72 -11.483 5.610 -3.172 1.00 0.56 C ATOM 1146 CD2 PHE A 72 -13.772 4.946 -3.132 1.00 0.74 C ATOM 1147 CE1 PHE A 72 -11.349 5.244 -1.848 1.00 0.51 C ATOM 1148 CE2 PHE A 72 -13.644 4.574 -1.808 1.00 0.69 C ATOM 1149 CZ PHE A 72 -12.430 4.724 -1.166 1.00 0.57 C ATOM 0 H PHE A 72 -12.292 8.404 -3.945 1.00 0.67 H new ATOM 0 HA PHE A 72 -13.193 7.483 -6.591 1.00 0.74 H new ATOM 0 HB2 PHE A 72 -13.614 5.244 -5.724 1.00 0.75 H new ATOM 0 HB3 PHE A 72 -11.904 5.620 -5.788 1.00 0.75 H new ATOM 0 HD1 PHE A 72 -10.633 6.011 -3.703 1.00 0.56 H new ATOM 0 HD2 PHE A 72 -14.723 4.828 -3.631 1.00 0.74 H new ATOM 0 HE1 PHE A 72 -10.400 5.364 -1.347 1.00 0.51 H new ATOM 0 HE2 PHE A 72 -14.491 4.167 -1.276 1.00 0.69 H new ATOM 0 HZ PHE A 72 -12.327 4.434 -0.131 1.00 0.57 H new ATOM 1159 N GLU A 73 -15.583 7.442 -5.681 1.00 0.83 N ATOM 1160 CA GLU A 73 -16.917 7.808 -5.246 1.00 0.86 C ATOM 1161 C GLU A 73 -17.549 6.677 -4.445 1.00 0.87 C ATOM 1162 O GLU A 73 -17.618 5.535 -4.908 1.00 0.89 O ATOM 1163 CB GLU A 73 -17.807 8.156 -6.442 1.00 0.97 C ATOM 1164 CG GLU A 73 -19.165 8.710 -6.037 1.00 1.02 C ATOM 1165 CD GLU A 73 -20.135 8.808 -7.195 1.00 1.29 C ATOM 1166 OE1 GLU A 73 -20.775 7.787 -7.520 1.00 1.34 O ATOM 1167 OE2 GLU A 73 -20.274 9.906 -7.775 1.00 1.68 O ATOM 0 H GLU A 73 -15.542 6.988 -6.593 1.00 0.83 H new ATOM 0 HA GLU A 73 -16.829 8.688 -4.609 1.00 0.86 H new ATOM 0 HB2 GLU A 73 -17.295 8.888 -7.067 1.00 0.97 H new ATOM 0 HB3 GLU A 73 -17.953 7.263 -7.050 1.00 0.97 H new ATOM 0 HG2 GLU A 73 -19.595 8.073 -5.264 1.00 1.02 H new ATOM 0 HG3 GLU A 73 -19.031 9.699 -5.598 1.00 1.02 H new ATOM 1174 N HIS A 74 -17.982 6.998 -3.239 1.00 0.90 N ATOM 1175 CA HIS A 74 -18.680 6.049 -2.395 1.00 0.97 C ATOM 1176 C HIS A 74 -19.971 6.681 -1.887 1.00 1.09 C ATOM 1177 O HIS A 74 -19.941 7.601 -1.064 1.00 1.06 O ATOM 1178 CB HIS A 74 -17.790 5.614 -1.229 1.00 0.90 C ATOM 1179 CG HIS A 74 -18.316 4.429 -0.481 1.00 1.06 C ATOM 1180 ND1 HIS A 74 -18.008 3.149 -0.871 1.00 1.78 N ATOM 1181 CD2 HIS A 74 -19.119 4.380 0.608 1.00 1.09 C ATOM 1182 CE1 HIS A 74 -18.626 2.353 -0.017 1.00 1.77 C ATOM 1183 NE2 HIS A 74 -19.312 3.053 0.899 1.00 1.20 N ATOM 0 H HIS A 74 -17.860 7.920 -2.820 1.00 0.90 H new ATOM 0 HA HIS A 74 -18.925 5.160 -2.976 1.00 0.97 H new ATOM 0 HB2 HIS A 74 -16.796 5.380 -1.610 1.00 0.90 H new ATOM 0 HB3 HIS A 74 -17.678 6.449 -0.537 1.00 0.90 H new ATOM 0 HD2 HIS A 74 -19.529 5.223 1.144 1.00 1.09 H new ATOM 0 HE1 HIS A 74 -18.584 1.274 -0.052 1.00 1.77 H new ATOM 0 HE2 HIS A 74 -19.869 2.672 1.664 1.00 1.20 H new ATOM 1191 N ASP A 75 -21.094 6.205 -2.418 1.00 1.29 N ATOM 1192 CA ASP A 75 -22.418 6.729 -2.076 1.00 1.48 C ATOM 1193 C ASP A 75 -22.529 8.208 -2.433 1.00 1.39 C ATOM 1194 O ASP A 75 -23.114 9.001 -1.695 1.00 1.46 O ATOM 1195 CB ASP A 75 -22.749 6.509 -0.595 1.00 1.61 C ATOM 1196 CG ASP A 75 -23.163 5.082 -0.293 1.00 2.16 C ATOM 1197 OD1 ASP A 75 -24.314 4.707 -0.599 1.00 2.30 O ATOM 1198 OD2 ASP A 75 -22.336 4.321 0.251 1.00 2.80 O ATOM 0 H ASP A 75 -21.114 5.445 -3.098 1.00 1.29 H new ATOM 0 HA ASP A 75 -23.147 6.174 -2.666 1.00 1.48 H new ATOM 0 HB2 ASP A 75 -21.879 6.766 0.009 1.00 1.61 H new ATOM 0 HB3 ASP A 75 -23.552 7.186 -0.302 1.00 1.61 H new ATOM 1203 N GLY A 76 -21.949 8.572 -3.570 1.00 1.28 N ATOM 1204 CA GLY A 76 -22.059 9.933 -4.064 1.00 1.24 C ATOM 1205 C GLY A 76 -20.967 10.854 -3.550 1.00 1.14 C ATOM 1206 O GLY A 76 -20.810 11.972 -4.046 1.00 1.18 O ATOM 0 H GLY A 76 -21.402 7.947 -4.162 1.00 1.28 H new ATOM 0 HA2 GLY A 76 -22.029 9.919 -5.153 1.00 1.24 H new ATOM 0 HA3 GLY A 76 -23.030 10.338 -3.777 1.00 1.24 H new ATOM 1210 N LYS A 77 -20.210 10.396 -2.564 1.00 1.07 N ATOM 1211 CA LYS A 77 -19.153 11.210 -1.975 1.00 1.00 C ATOM 1212 C LYS A 77 -17.781 10.711 -2.415 1.00 0.89 C ATOM 1213 O LYS A 77 -17.490 9.520 -2.328 1.00 0.88 O ATOM 1214 CB LYS A 77 -19.249 11.184 -0.447 1.00 1.04 C ATOM 1215 CG LYS A 77 -20.573 11.699 0.097 1.00 1.37 C ATOM 1216 CD LYS A 77 -20.835 13.134 -0.330 1.00 1.58 C ATOM 1217 CE LYS A 77 -22.146 13.658 0.237 1.00 1.77 C ATOM 1218 NZ LYS A 77 -22.135 13.705 1.724 1.00 2.07 N ATOM 0 H LYS A 77 -20.306 9.467 -2.154 1.00 1.07 H new ATOM 0 HA LYS A 77 -19.281 12.235 -2.322 1.00 1.00 H new ATOM 0 HB2 LYS A 77 -19.098 10.161 -0.101 1.00 1.04 H new ATOM 0 HB3 LYS A 77 -18.439 11.784 -0.032 1.00 1.04 H new ATOM 0 HG2 LYS A 77 -21.384 11.061 -0.254 1.00 1.37 H new ATOM 0 HG3 LYS A 77 -20.568 11.638 1.185 1.00 1.37 H new ATOM 0 HD2 LYS A 77 -20.014 13.769 0.004 1.00 1.58 H new ATOM 0 HD3 LYS A 77 -20.860 13.191 -1.418 1.00 1.58 H new ATOM 0 HE2 LYS A 77 -22.336 14.657 -0.155 1.00 1.77 H new ATOM 0 HE3 LYS A 77 -22.965 13.022 -0.099 1.00 1.77 H new ATOM 0 HZ1 LYS A 77 -22.954 14.250 2.060 1.00 2.07 H new ATOM 0 HZ2 LYS A 77 -22.184 12.737 2.102 1.00 2.07 H new ATOM 0 HZ3 LYS A 77 -21.259 14.160 2.050 1.00 2.07 H new ATOM 1232 N LYS A 78 -16.946 11.619 -2.900 1.00 0.90 N ATOM 1233 CA LYS A 78 -15.588 11.266 -3.290 1.00 0.83 C ATOM 1234 C LYS A 78 -14.650 11.327 -2.096 1.00 0.73 C ATOM 1235 O LYS A 78 -14.428 12.392 -1.519 1.00 0.81 O ATOM 1236 CB LYS A 78 -15.069 12.193 -4.390 1.00 0.92 C ATOM 1237 CG LYS A 78 -15.701 11.956 -5.750 1.00 1.01 C ATOM 1238 CD LYS A 78 -15.080 12.843 -6.818 1.00 1.23 C ATOM 1239 CE LYS A 78 -15.789 14.182 -6.924 1.00 1.77 C ATOM 1240 NZ LYS A 78 -15.672 15.002 -5.688 1.00 2.36 N ATOM 0 H LYS A 78 -17.184 12.602 -3.033 1.00 0.90 H new ATOM 0 HA LYS A 78 -15.616 10.246 -3.674 1.00 0.83 H new ATOM 0 HB2 LYS A 78 -15.248 13.227 -4.093 1.00 0.92 H new ATOM 0 HB3 LYS A 78 -13.990 12.068 -4.476 1.00 0.92 H new ATOM 0 HG2 LYS A 78 -15.581 10.910 -6.030 1.00 1.01 H new ATOM 0 HG3 LYS A 78 -16.772 12.150 -5.693 1.00 1.01 H new ATOM 0 HD2 LYS A 78 -14.027 13.007 -6.587 1.00 1.23 H new ATOM 0 HD3 LYS A 78 -15.120 12.334 -7.781 1.00 1.23 H new ATOM 0 HE2 LYS A 78 -15.376 14.740 -7.764 1.00 1.77 H new ATOM 0 HE3 LYS A 78 -16.843 14.012 -7.142 1.00 1.77 H new ATOM 0 HZ1 LYS A 78 -15.812 16.006 -5.923 1.00 2.36 H new ATOM 0 HZ2 LYS A 78 -16.395 14.703 -5.003 1.00 2.36 H new ATOM 0 HZ3 LYS A 78 -14.727 14.872 -5.273 1.00 2.36 H new ATOM 1254 N VAL A 79 -14.113 10.181 -1.725 1.00 0.63 N ATOM 1255 CA VAL A 79 -13.141 10.103 -0.648 1.00 0.54 C ATOM 1256 C VAL A 79 -11.804 9.623 -1.190 1.00 0.48 C ATOM 1257 O VAL A 79 -11.754 8.869 -2.164 1.00 0.51 O ATOM 1258 CB VAL A 79 -13.610 9.160 0.483 1.00 0.53 C ATOM 1259 CG1 VAL A 79 -14.784 9.763 1.238 1.00 0.63 C ATOM 1260 CG2 VAL A 79 -13.984 7.793 -0.068 1.00 0.56 C ATOM 0 H VAL A 79 -14.335 9.284 -2.156 1.00 0.63 H new ATOM 0 HA VAL A 79 -13.034 11.103 -0.228 1.00 0.54 H new ATOM 0 HB VAL A 79 -12.779 9.035 1.178 1.00 0.53 H new ATOM 0 HG11 VAL A 79 -15.097 9.081 2.029 1.00 0.63 H new ATOM 0 HG12 VAL A 79 -14.484 10.715 1.677 1.00 0.63 H new ATOM 0 HG13 VAL A 79 -15.614 9.926 0.550 1.00 0.63 H new ATOM 0 HG21 VAL A 79 -14.311 7.149 0.748 1.00 0.56 H new ATOM 0 HG22 VAL A 79 -14.793 7.901 -0.791 1.00 0.56 H new ATOM 0 HG23 VAL A 79 -13.117 7.348 -0.557 1.00 0.56 H new ATOM 1270 N THR A 80 -10.725 10.092 -0.584 1.00 0.42 N ATOM 1271 CA THR A 80 -9.395 9.662 -0.970 1.00 0.37 C ATOM 1272 C THR A 80 -9.078 8.297 -0.374 1.00 0.33 C ATOM 1273 O THR A 80 -9.738 7.866 0.577 1.00 0.32 O ATOM 1274 CB THR A 80 -8.317 10.676 -0.529 1.00 0.34 C ATOM 1275 OG1 THR A 80 -8.507 11.032 0.846 1.00 0.35 O ATOM 1276 CG2 THR A 80 -8.358 11.930 -1.389 1.00 0.46 C ATOM 0 H THR A 80 -10.746 10.771 0.177 1.00 0.42 H new ATOM 0 HA THR A 80 -9.382 9.597 -2.058 1.00 0.37 H new ATOM 0 HB THR A 80 -7.343 10.203 -0.652 1.00 0.34 H new ATOM 0 HG1 THR A 80 -7.817 11.674 1.116 1.00 0.35 H new ATOM 0 HG21 THR A 80 -7.588 12.625 -1.055 1.00 0.46 H new ATOM 0 HG22 THR A 80 -8.179 11.663 -2.430 1.00 0.46 H new ATOM 0 HG23 THR A 80 -9.337 12.401 -1.298 1.00 0.46 H new ATOM 1284 N ILE A 81 -8.085 7.616 -0.930 1.00 0.32 N ATOM 1285 CA ILE A 81 -7.661 6.323 -0.406 1.00 0.31 C ATOM 1286 C ILE A 81 -7.296 6.465 1.070 1.00 0.27 C ATOM 1287 O ILE A 81 -7.708 5.665 1.915 1.00 0.29 O ATOM 1288 CB ILE A 81 -6.445 5.768 -1.183 1.00 0.34 C ATOM 1289 CG1 ILE A 81 -6.676 5.859 -2.698 1.00 0.38 C ATOM 1290 CG2 ILE A 81 -6.164 4.326 -0.781 1.00 0.34 C ATOM 1291 CD1 ILE A 81 -7.851 5.042 -3.193 1.00 0.40 C ATOM 0 H ILE A 81 -7.558 7.936 -1.743 1.00 0.32 H new ATOM 0 HA ILE A 81 -8.489 5.624 -0.524 1.00 0.31 H new ATOM 0 HB ILE A 81 -5.578 6.377 -0.929 1.00 0.34 H new ATOM 0 HG12 ILE A 81 -6.833 6.903 -2.969 1.00 0.38 H new ATOM 0 HG13 ILE A 81 -5.774 5.528 -3.213 1.00 0.38 H new ATOM 0 HG21 ILE A 81 -5.305 3.954 -1.339 1.00 0.34 H new ATOM 0 HG22 ILE A 81 -5.951 4.281 0.287 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -7.035 3.710 -1.003 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -7.947 5.160 -4.272 1.00 0.40 H new ATOM 0 HD12 ILE A 81 -7.689 3.991 -2.956 1.00 0.40 H new ATOM 0 HD13 ILE A 81 -8.764 5.387 -2.708 1.00 0.40 H new ATOM 1303 N ALA A 82 -6.552 7.525 1.372 1.00 0.26 N ATOM 1304 CA ALA A 82 -6.139 7.821 2.734 1.00 0.25 C ATOM 1305 C ALA A 82 -7.337 8.119 3.632 1.00 0.24 C ATOM 1306 O ALA A 82 -7.338 7.772 4.813 1.00 0.26 O ATOM 1307 CB ALA A 82 -5.174 8.994 2.743 1.00 0.26 C ATOM 0 H ALA A 82 -6.221 8.198 0.681 1.00 0.26 H new ATOM 0 HA ALA A 82 -5.638 6.938 3.130 1.00 0.25 H new ATOM 0 HB1 ALA A 82 -4.871 9.208 3.768 1.00 0.26 H new ATOM 0 HB2 ALA A 82 -4.295 8.746 2.148 1.00 0.26 H new ATOM 0 HB3 ALA A 82 -5.663 9.871 2.319 1.00 0.26 H new ATOM 1313 N SER A 83 -8.353 8.761 3.069 1.00 0.26 N ATOM 1314 CA SER A 83 -9.546 9.113 3.826 1.00 0.28 C ATOM 1315 C SER A 83 -10.331 7.862 4.210 1.00 0.26 C ATOM 1316 O SER A 83 -10.817 7.751 5.335 1.00 0.27 O ATOM 1317 CB SER A 83 -10.432 10.063 3.018 1.00 0.34 C ATOM 1318 OG SER A 83 -11.541 10.510 3.780 1.00 1.16 O ATOM 0 H SER A 83 -8.374 9.048 2.091 1.00 0.26 H new ATOM 0 HA SER A 83 -9.232 9.618 4.739 1.00 0.28 H new ATOM 0 HB2 SER A 83 -9.844 10.921 2.690 1.00 0.34 H new ATOM 0 HB3 SER A 83 -10.786 9.557 2.120 1.00 0.34 H new ATOM 0 HG SER A 83 -12.087 11.116 3.238 1.00 1.16 H new ATOM 1324 N TYR A 84 -10.432 6.916 3.283 1.00 0.27 N ATOM 1325 CA TYR A 84 -11.185 5.691 3.525 1.00 0.29 C ATOM 1326 C TYR A 84 -10.555 4.894 4.665 1.00 0.27 C ATOM 1327 O TYR A 84 -11.250 4.424 5.565 1.00 0.29 O ATOM 1328 CB TYR A 84 -11.245 4.847 2.249 1.00 0.34 C ATOM 1329 CG TYR A 84 -12.204 3.676 2.322 1.00 0.46 C ATOM 1330 CD1 TYR A 84 -13.562 3.857 2.087 1.00 0.60 C ATOM 1331 CD2 TYR A 84 -11.756 2.395 2.619 1.00 0.56 C ATOM 1332 CE1 TYR A 84 -14.444 2.795 2.147 1.00 0.74 C ATOM 1333 CE2 TYR A 84 -12.633 1.328 2.681 1.00 0.71 C ATOM 1334 CZ TYR A 84 -13.976 1.534 2.444 1.00 0.78 C ATOM 1335 OH TYR A 84 -14.854 0.474 2.504 1.00 0.95 O ATOM 0 H TYR A 84 -10.003 6.973 2.359 1.00 0.27 H new ATOM 0 HA TYR A 84 -12.202 5.957 3.814 1.00 0.29 H new ATOM 0 HB2 TYR A 84 -11.535 5.488 1.416 1.00 0.34 H new ATOM 0 HB3 TYR A 84 -10.246 4.471 2.029 1.00 0.34 H new ATOM 0 HD1 TYR A 84 -13.934 4.844 1.854 1.00 0.60 H new ATOM 0 HD2 TYR A 84 -10.705 2.230 2.805 1.00 0.56 H new ATOM 0 HE1 TYR A 84 -15.496 2.953 1.962 1.00 0.74 H new ATOM 0 HE2 TYR A 84 -12.268 0.338 2.914 1.00 0.71 H new ATOM 0 HH TYR A 84 -14.363 -0.345 2.724 1.00 0.95 H new ATOM 1345 N PHE A 85 -9.234 4.769 4.636 1.00 0.27 N ATOM 1346 CA PHE A 85 -8.511 4.070 5.693 1.00 0.27 C ATOM 1347 C PHE A 85 -8.617 4.815 7.018 1.00 0.28 C ATOM 1348 O PHE A 85 -8.835 4.206 8.066 1.00 0.31 O ATOM 1349 CB PHE A 85 -7.043 3.890 5.310 1.00 0.29 C ATOM 1350 CG PHE A 85 -6.796 2.690 4.441 1.00 0.27 C ATOM 1351 CD1 PHE A 85 -7.131 2.719 3.099 1.00 0.27 C ATOM 1352 CD2 PHE A 85 -6.221 1.539 4.959 1.00 0.36 C ATOM 1353 CE1 PHE A 85 -6.899 1.625 2.287 1.00 0.29 C ATOM 1354 CE2 PHE A 85 -5.987 0.442 4.153 1.00 0.37 C ATOM 1355 CZ PHE A 85 -6.351 0.454 2.852 1.00 0.29 C ATOM 0 H PHE A 85 -8.642 5.142 3.894 1.00 0.27 H new ATOM 0 HA PHE A 85 -8.968 3.088 5.815 1.00 0.27 H new ATOM 0 HB2 PHE A 85 -6.699 4.784 4.789 1.00 0.29 H new ATOM 0 HB3 PHE A 85 -6.447 3.801 6.218 1.00 0.29 H new ATOM 0 HD1 PHE A 85 -7.580 3.608 2.681 1.00 0.27 H new ATOM 0 HD2 PHE A 85 -5.953 1.500 6.005 1.00 0.36 H new ATOM 0 HE1 PHE A 85 -7.134 1.666 1.234 1.00 0.29 H new ATOM 0 HE2 PHE A 85 -5.509 -0.433 4.567 1.00 0.37 H new ATOM 0 HZ PHE A 85 -6.223 -0.431 2.246 1.00 0.29 H new ATOM 1365 N HIS A 86 -8.480 6.134 6.960 1.00 0.27 N ATOM 1366 CA HIS A 86 -8.537 6.961 8.159 1.00 0.29 C ATOM 1367 C HIS A 86 -9.918 6.868 8.802 1.00 0.31 C ATOM 1368 O HIS A 86 -10.045 6.798 10.026 1.00 0.36 O ATOM 1369 CB HIS A 86 -8.214 8.415 7.812 1.00 0.30 C ATOM 1370 CG HIS A 86 -7.795 9.237 8.989 1.00 0.46 C ATOM 1371 ND1 HIS A 86 -6.555 9.434 9.500 1.00 0.56 N flip ATOM 1372 CD2 HIS A 86 -8.704 9.945 9.735 1.00 0.74 C flip ATOM 1373 CE1 HIS A 86 -6.699 10.270 10.572 1.00 0.75 C flip ATOM 1374 NE2 HIS A 86 -8.002 10.553 10.678 1.00 0.85 N flip ATOM 0 H HIS A 86 -8.329 6.654 6.096 1.00 0.27 H new ATOM 0 HA HIS A 86 -7.796 6.596 8.870 1.00 0.29 H new ATOM 0 HB2 HIS A 86 -7.419 8.433 7.066 1.00 0.30 H new ATOM 0 HB3 HIS A 86 -9.091 8.873 7.354 1.00 0.30 H new ATOM 0 HD2 HIS A 86 -9.772 9.996 9.584 1.00 0.74 H new ATOM 0 HE1 HIS A 86 -5.909 10.634 11.213 1.00 0.75 H new ATOM 0 HE2 HIS A 86 -8.403 11.159 11.393 1.00 0.85 H new ATOM 1382 N SER A 87 -10.947 6.845 7.961 1.00 0.29 N ATOM 1383 CA SER A 87 -12.324 6.732 8.420 1.00 0.35 C ATOM 1384 C SER A 87 -12.564 5.365 9.058 1.00 0.41 C ATOM 1385 O SER A 87 -13.437 5.207 9.911 1.00 0.48 O ATOM 1386 CB SER A 87 -13.281 6.956 7.244 1.00 0.36 C ATOM 1387 OG SER A 87 -14.635 7.015 7.666 1.00 1.31 O ATOM 0 H SER A 87 -10.849 6.904 6.947 1.00 0.29 H new ATOM 0 HA SER A 87 -12.511 7.495 9.176 1.00 0.35 H new ATOM 0 HB2 SER A 87 -13.019 7.883 6.735 1.00 0.36 H new ATOM 0 HB3 SER A 87 -13.161 6.150 6.520 1.00 0.36 H new ATOM 0 HG SER A 87 -15.214 7.160 6.889 1.00 1.31 H new ATOM 1393 N ARG A 88 -11.769 4.382 8.653 1.00 0.40 N ATOM 1394 CA ARG A 88 -11.877 3.036 9.198 1.00 0.46 C ATOM 1395 C ARG A 88 -10.976 2.873 10.418 1.00 0.48 C ATOM 1396 O ARG A 88 -10.515 1.773 10.718 1.00 0.57 O ATOM 1397 CB ARG A 88 -11.528 1.995 8.133 1.00 0.49 C ATOM 1398 CG ARG A 88 -12.553 1.905 7.011 1.00 1.05 C ATOM 1399 CD ARG A 88 -13.140 0.506 6.904 1.00 1.21 C ATOM 1400 NE ARG A 88 -13.806 0.097 8.140 1.00 1.92 N ATOM 1401 CZ ARG A 88 -13.580 -1.058 8.763 1.00 2.62 C ATOM 1402 NH1 ARG A 88 -12.773 -1.962 8.222 1.00 2.84 N ATOM 1403 NH2 ARG A 88 -14.175 -1.318 9.918 1.00 3.55 N ATOM 0 H ARG A 88 -11.041 4.493 7.947 1.00 0.40 H new ATOM 0 HA ARG A 88 -12.909 2.878 9.511 1.00 0.46 H new ATOM 0 HB2 ARG A 88 -10.554 2.236 7.706 1.00 0.49 H new ATOM 0 HB3 ARG A 88 -11.435 1.018 8.608 1.00 0.49 H new ATOM 0 HG2 ARG A 88 -13.353 2.624 7.189 1.00 1.05 H new ATOM 0 HG3 ARG A 88 -12.084 2.177 6.065 1.00 1.05 H new ATOM 0 HD2 ARG A 88 -13.853 0.474 6.080 1.00 1.21 H new ATOM 0 HD3 ARG A 88 -12.347 -0.203 6.667 1.00 1.21 H new ATOM 0 HE ARG A 88 -14.486 0.737 8.551 1.00 1.92 H new ATOM 0 HH11 ARG A 88 -12.323 -1.773 7.326 1.00 2.84 H new ATOM 0 HH12 ARG A 88 -12.602 -2.846 8.702 1.00 2.84 H new ATOM 0 HH21 ARG A 88 -14.807 -0.633 10.331 1.00 3.55 H new ATOM 0 HH22 ARG A 88 -14.001 -2.203 10.394 1.00 3.55 H new ATOM 1417 N ASN A 89 -10.723 3.987 11.100 1.00 0.45 N ATOM 1418 CA ASN A 89 -9.959 4.007 12.350 1.00 0.47 C ATOM 1419 C ASN A 89 -8.517 3.549 12.159 1.00 0.48 C ATOM 1420 O ASN A 89 -7.914 2.969 13.064 1.00 0.67 O ATOM 1421 CB ASN A 89 -10.640 3.164 13.437 1.00 0.55 C ATOM 1422 CG ASN A 89 -11.926 3.786 13.959 1.00 0.99 C ATOM 1423 OD1 ASN A 89 -12.018 5.109 13.921 1.00 1.45 O flip ATOM 1424 ND2 ASN A 89 -12.835 3.080 14.397 1.00 1.98 N flip ATOM 0 H ASN A 89 -11.043 4.908 10.801 1.00 0.45 H new ATOM 0 HA ASN A 89 -9.935 5.047 12.676 1.00 0.47 H new ATOM 0 HB2 ASN A 89 -10.859 2.174 13.036 1.00 0.55 H new ATOM 0 HB3 ASN A 89 -9.948 3.025 14.267 1.00 0.55 H new ATOM 0 HD21 ASN A 89 -12.731 2.065 14.412 1.00 1.98 H new ATOM 0 HD22 ASN A 89 -13.692 3.510 14.745 1.00 1.98 H new ATOM 1431 N TYR A 90 -7.962 3.810 10.985 1.00 0.39 N ATOM 1432 CA TYR A 90 -6.547 3.574 10.759 1.00 0.38 C ATOM 1433 C TYR A 90 -5.910 4.806 10.131 1.00 0.32 C ATOM 1434 O TYR A 90 -6.014 5.031 8.926 1.00 0.36 O ATOM 1435 CB TYR A 90 -6.304 2.346 9.876 1.00 0.41 C ATOM 1436 CG TYR A 90 -4.834 2.025 9.723 1.00 0.40 C ATOM 1437 CD1 TYR A 90 -4.122 1.420 10.752 1.00 0.45 C ATOM 1438 CD2 TYR A 90 -4.165 2.307 8.539 1.00 0.44 C ATOM 1439 CE1 TYR A 90 -2.784 1.104 10.602 1.00 0.49 C ATOM 1440 CE2 TYR A 90 -2.826 1.997 8.383 1.00 0.46 C ATOM 1441 CZ TYR A 90 -2.119 1.475 9.468 1.00 0.45 C ATOM 1442 OH TYR A 90 -0.811 1.077 9.265 1.00 0.52 O ATOM 0 H TYR A 90 -8.467 4.182 10.181 1.00 0.39 H new ATOM 0 HA TYR A 90 -6.086 3.376 11.727 1.00 0.38 H new ATOM 0 HB2 TYR A 90 -6.818 1.486 10.306 1.00 0.41 H new ATOM 0 HB3 TYR A 90 -6.739 2.518 8.892 1.00 0.41 H new ATOM 0 HD1 TYR A 90 -4.621 1.193 11.683 1.00 0.45 H new ATOM 0 HD2 TYR A 90 -4.699 2.776 7.726 1.00 0.44 H new ATOM 0 HE1 TYR A 90 -2.265 0.564 11.381 1.00 0.49 H new ATOM 0 HE2 TYR A 90 -2.334 2.157 7.435 1.00 0.46 H new ATOM 0 HH TYR A 90 -0.267 1.854 9.018 1.00 0.52 H new ATOM 1452 N PRO A 91 -5.258 5.635 10.951 1.00 0.32 N ATOM 1453 CA PRO A 91 -4.602 6.843 10.473 1.00 0.33 C ATOM 1454 C PRO A 91 -3.289 6.544 9.756 1.00 0.33 C ATOM 1455 O PRO A 91 -2.320 6.098 10.372 1.00 0.37 O ATOM 1456 CB PRO A 91 -4.347 7.632 11.758 1.00 0.40 C ATOM 1457 CG PRO A 91 -4.225 6.596 12.825 1.00 0.44 C ATOM 1458 CD PRO A 91 -5.114 5.454 12.409 1.00 0.41 C ATOM 0 HA PRO A 91 -5.207 7.378 9.740 1.00 0.33 H new ATOM 0 HB2 PRO A 91 -3.439 8.229 11.681 1.00 0.40 H new ATOM 0 HB3 PRO A 91 -5.165 8.321 11.968 1.00 0.40 H new ATOM 0 HG2 PRO A 91 -3.192 6.266 12.930 1.00 0.44 H new ATOM 0 HG3 PRO A 91 -4.532 6.995 13.792 1.00 0.44 H new ATOM 0 HD2 PRO A 91 -4.667 4.490 12.650 1.00 0.41 H new ATOM 0 HD3 PRO A 91 -6.079 5.493 12.914 1.00 0.41 H new ATOM 1466 N LEU A 92 -3.267 6.785 8.449 1.00 0.33 N ATOM 1467 CA LEU A 92 -2.044 6.648 7.672 1.00 0.35 C ATOM 1468 C LEU A 92 -1.050 7.709 8.109 1.00 0.38 C ATOM 1469 O LEU A 92 -1.368 8.901 8.131 1.00 0.40 O ATOM 1470 CB LEU A 92 -2.328 6.774 6.172 1.00 0.36 C ATOM 1471 CG LEU A 92 -3.187 5.659 5.574 1.00 0.36 C ATOM 1472 CD1 LEU A 92 -3.437 5.916 4.098 1.00 0.37 C ATOM 1473 CD2 LEU A 92 -2.517 4.308 5.769 1.00 0.45 C ATOM 0 H LEU A 92 -4.081 7.076 7.908 1.00 0.33 H new ATOM 0 HA LEU A 92 -1.624 5.658 7.850 1.00 0.35 H new ATOM 0 HB2 LEU A 92 -2.823 7.728 5.992 1.00 0.36 H new ATOM 0 HB3 LEU A 92 -1.377 6.803 5.640 1.00 0.36 H new ATOM 0 HG LEU A 92 -4.146 5.648 6.092 1.00 0.36 H new ATOM 0 HD11 LEU A 92 -4.050 5.113 3.688 1.00 0.37 H new ATOM 0 HD12 LEU A 92 -3.956 6.867 3.977 1.00 0.37 H new ATOM 0 HD13 LEU A 92 -2.485 5.952 3.569 1.00 0.37 H new ATOM 0 HD21 LEU A 92 -3.142 3.526 5.337 1.00 0.45 H new ATOM 0 HD22 LEU A 92 -1.545 4.309 5.276 1.00 0.45 H new ATOM 0 HD23 LEU A 92 -2.383 4.119 6.834 1.00 0.45 H new ATOM 1485 N LYS A 93 0.145 7.277 8.468 1.00 0.41 N ATOM 1486 CA LYS A 93 1.135 8.178 9.039 1.00 0.46 C ATOM 1487 C LYS A 93 1.895 8.920 7.948 1.00 0.44 C ATOM 1488 O LYS A 93 2.493 9.966 8.195 1.00 0.47 O ATOM 1489 CB LYS A 93 2.095 7.396 9.934 1.00 0.54 C ATOM 1490 CG LYS A 93 1.374 6.586 11.001 1.00 0.73 C ATOM 1491 CD LYS A 93 2.337 5.888 11.944 1.00 0.75 C ATOM 1492 CE LYS A 93 3.107 6.885 12.793 1.00 1.45 C ATOM 1493 NZ LYS A 93 3.901 6.207 13.848 1.00 1.99 N ATOM 0 H LYS A 93 0.455 6.310 8.375 1.00 0.41 H new ATOM 0 HA LYS A 93 0.618 8.923 9.644 1.00 0.46 H new ATOM 0 HB2 LYS A 93 2.695 6.726 9.318 1.00 0.54 H new ATOM 0 HB3 LYS A 93 2.784 8.090 10.414 1.00 0.54 H new ATOM 0 HG2 LYS A 93 0.721 7.244 11.574 1.00 0.73 H new ATOM 0 HG3 LYS A 93 0.737 5.843 10.521 1.00 0.73 H new ATOM 0 HD2 LYS A 93 1.784 5.208 12.592 1.00 0.75 H new ATOM 0 HD3 LYS A 93 3.037 5.282 11.368 1.00 0.75 H new ATOM 0 HE2 LYS A 93 3.771 7.469 12.156 1.00 1.45 H new ATOM 0 HE3 LYS A 93 2.410 7.585 13.255 1.00 1.45 H new ATOM 0 HZ1 LYS A 93 4.413 6.918 14.408 1.00 1.99 H new ATOM 0 HZ2 LYS A 93 3.264 5.670 14.470 1.00 1.99 H new ATOM 0 HZ3 LYS A 93 4.583 5.558 13.406 1.00 1.99 H new ATOM 1507 N PHE A 94 1.858 8.376 6.739 1.00 0.42 N ATOM 1508 CA PHE A 94 2.484 9.013 5.585 1.00 0.43 C ATOM 1509 C PHE A 94 1.579 8.874 4.363 1.00 0.42 C ATOM 1510 O PHE A 94 1.943 8.242 3.371 1.00 0.45 O ATOM 1511 CB PHE A 94 3.857 8.393 5.287 1.00 0.49 C ATOM 1512 CG PHE A 94 4.291 7.345 6.276 1.00 0.44 C ATOM 1513 CD1 PHE A 94 3.718 6.085 6.260 1.00 0.53 C ATOM 1514 CD2 PHE A 94 5.278 7.620 7.209 1.00 0.46 C ATOM 1515 CE1 PHE A 94 4.119 5.116 7.162 1.00 0.62 C ATOM 1516 CE2 PHE A 94 5.682 6.656 8.114 1.00 0.49 C ATOM 1517 CZ PHE A 94 5.102 5.401 8.089 1.00 0.56 C ATOM 0 H PHE A 94 1.398 7.490 6.530 1.00 0.42 H new ATOM 0 HA PHE A 94 2.629 10.068 5.816 1.00 0.43 H new ATOM 0 HB2 PHE A 94 3.834 7.949 4.292 1.00 0.49 H new ATOM 0 HB3 PHE A 94 4.604 9.187 5.265 1.00 0.49 H new ATOM 0 HD1 PHE A 94 2.950 5.856 5.536 1.00 0.53 H new ATOM 0 HD2 PHE A 94 5.736 8.598 7.229 1.00 0.46 H new ATOM 0 HE1 PHE A 94 3.663 4.137 7.141 1.00 0.62 H new ATOM 0 HE2 PHE A 94 6.449 6.883 8.839 1.00 0.49 H new ATOM 0 HZ PHE A 94 5.417 4.645 8.793 1.00 0.56 H new ATOM 1527 N PRO A 95 0.377 9.465 4.419 1.00 0.47 N ATOM 1528 CA PRO A 95 -0.635 9.307 3.374 1.00 0.53 C ATOM 1529 C PRO A 95 -0.288 10.042 2.080 1.00 0.52 C ATOM 1530 O PRO A 95 -0.956 9.873 1.060 1.00 0.58 O ATOM 1531 CB PRO A 95 -1.876 9.895 4.033 1.00 0.63 C ATOM 1532 CG PRO A 95 -1.343 10.958 4.912 1.00 0.63 C ATOM 1533 CD PRO A 95 -0.091 10.371 5.489 1.00 0.54 C ATOM 0 HA PRO A 95 -0.745 8.271 3.055 1.00 0.53 H new ATOM 0 HB2 PRO A 95 -2.568 10.298 3.293 1.00 0.63 H new ATOM 0 HB3 PRO A 95 -2.421 9.142 4.602 1.00 0.63 H new ATOM 0 HG2 PRO A 95 -1.133 11.869 4.352 1.00 0.63 H new ATOM 0 HG3 PRO A 95 -2.055 11.222 5.694 1.00 0.63 H new ATOM 0 HD2 PRO A 95 0.647 11.140 5.718 1.00 0.54 H new ATOM 0 HD3 PRO A 95 -0.288 9.833 6.416 1.00 0.54 H new ATOM 1541 N GLN A 96 0.763 10.854 2.127 1.00 0.48 N ATOM 1542 CA GLN A 96 1.184 11.632 0.969 1.00 0.50 C ATOM 1543 C GLN A 96 2.051 10.779 0.042 1.00 0.54 C ATOM 1544 O GLN A 96 2.569 11.258 -0.966 1.00 0.62 O ATOM 1545 CB GLN A 96 1.952 12.880 1.423 1.00 0.53 C ATOM 1546 CG GLN A 96 2.073 13.959 0.355 1.00 1.09 C ATOM 1547 CD GLN A 96 0.724 14.525 -0.059 1.00 1.86 C ATOM 1548 OE1 GLN A 96 -0.217 14.566 0.736 1.00 2.61 O ATOM 1549 NE2 GLN A 96 0.617 14.970 -1.301 1.00 2.52 N ATOM 0 H GLN A 96 1.340 10.990 2.957 1.00 0.48 H new ATOM 0 HA GLN A 96 0.298 11.948 0.418 1.00 0.50 H new ATOM 0 HB2 GLN A 96 1.454 13.302 2.296 1.00 0.53 H new ATOM 0 HB3 GLN A 96 2.952 12.583 1.739 1.00 0.53 H new ATOM 0 HG2 GLN A 96 2.702 14.766 0.729 1.00 1.09 H new ATOM 0 HG3 GLN A 96 2.573 13.544 -0.520 1.00 1.09 H new ATOM 0 HE21 GLN A 96 1.417 14.920 -1.931 1.00 2.52 H new ATOM 0 HE22 GLN A 96 -0.266 15.363 -1.628 1.00 2.52 H new ATOM 1558 N LEU A 97 2.202 9.507 0.391 1.00 0.54 N ATOM 1559 CA LEU A 97 2.977 8.580 -0.417 1.00 0.67 C ATOM 1560 C LEU A 97 2.120 8.005 -1.540 1.00 0.73 C ATOM 1561 O LEU A 97 0.903 7.859 -1.396 1.00 1.41 O ATOM 1562 CB LEU A 97 3.531 7.448 0.450 1.00 0.84 C ATOM 1563 CG LEU A 97 4.492 7.887 1.557 1.00 1.07 C ATOM 1564 CD1 LEU A 97 4.963 6.686 2.358 1.00 1.56 C ATOM 1565 CD2 LEU A 97 5.679 8.639 0.973 1.00 1.50 C ATOM 0 H LEU A 97 1.796 9.095 1.231 1.00 0.54 H new ATOM 0 HA LEU A 97 3.812 9.126 -0.857 1.00 0.67 H new ATOM 0 HB2 LEU A 97 2.695 6.918 0.906 1.00 0.84 H new ATOM 0 HB3 LEU A 97 4.046 6.736 -0.195 1.00 0.84 H new ATOM 0 HG LEU A 97 3.958 8.561 2.227 1.00 1.07 H new ATOM 0 HD11 LEU A 97 5.646 7.016 3.141 1.00 1.56 H new ATOM 0 HD12 LEU A 97 4.104 6.191 2.811 1.00 1.56 H new ATOM 0 HD13 LEU A 97 5.478 5.988 1.698 1.00 1.56 H new ATOM 0 HD21 LEU A 97 6.349 8.942 1.777 1.00 1.50 H new ATOM 0 HD22 LEU A 97 6.214 7.991 0.279 1.00 1.50 H new ATOM 0 HD23 LEU A 97 5.325 9.524 0.444 1.00 1.50 H new ATOM 1577 N HIS A 98 2.770 7.704 -2.656 1.00 0.47 N ATOM 1578 CA HIS A 98 2.110 7.129 -3.823 1.00 0.43 C ATOM 1579 C HIS A 98 1.504 5.769 -3.508 1.00 0.49 C ATOM 1580 O HIS A 98 2.095 4.956 -2.791 1.00 0.89 O ATOM 1581 CB HIS A 98 3.105 7.009 -4.976 1.00 0.49 C ATOM 1582 CG HIS A 98 3.549 8.337 -5.496 1.00 0.44 C ATOM 1583 ND1 HIS A 98 3.051 9.064 -6.519 1.00 0.45 N flip ATOM 1584 CD2 HIS A 98 4.571 9.035 -4.905 1.00 0.56 C flip ATOM 1585 CE1 HIS A 98 3.765 10.235 -6.566 1.00 0.45 C flip ATOM 1586 NE2 HIS A 98 4.665 10.170 -5.577 1.00 0.51 N flip ATOM 0 H HIS A 98 3.772 7.851 -2.779 1.00 0.47 H new ATOM 0 HA HIS A 98 1.297 7.795 -4.114 1.00 0.43 H new ATOM 0 HB2 HIS A 98 3.976 6.445 -4.642 1.00 0.49 H new ATOM 0 HB3 HIS A 98 2.649 6.440 -5.786 1.00 0.49 H new ATOM 0 HD2 HIS A 98 5.174 8.723 -4.065 1.00 0.56 H new ATOM 0 HE1 HIS A 98 3.628 11.048 -7.263 1.00 0.45 H new ATOM 0 HE2 HIS A 98 5.340 10.905 -5.368 1.00 0.51 H new ATOM 1594 N CYS A 99 0.317 5.542 -4.056 1.00 0.34 N ATOM 1595 CA CYS A 99 -0.431 4.316 -3.822 1.00 0.36 C ATOM 1596 C CYS A 99 0.228 3.132 -4.515 1.00 0.34 C ATOM 1597 O CYS A 99 0.816 3.280 -5.588 1.00 0.43 O ATOM 1598 CB CYS A 99 -1.853 4.469 -4.358 1.00 0.44 C ATOM 1599 SG CYS A 99 -2.656 6.024 -3.918 1.00 0.55 S ATOM 0 H CYS A 99 -0.153 6.203 -4.675 1.00 0.34 H new ATOM 0 HA CYS A 99 -0.449 4.133 -2.748 1.00 0.36 H new ATOM 0 HB2 CYS A 99 -1.830 4.382 -5.444 1.00 0.44 H new ATOM 0 HB3 CYS A 99 -2.459 3.643 -3.985 1.00 0.44 H new ATOM 0 HG CYS A 99 -2.183 6.982 -4.659 1.00 0.55 H new ATOM 1605 N LEU A 100 0.112 1.958 -3.911 1.00 0.25 N ATOM 1606 CA LEU A 100 0.641 0.746 -4.509 1.00 0.24 C ATOM 1607 C LEU A 100 -0.348 0.218 -5.538 1.00 0.23 C ATOM 1608 O LEU A 100 -1.517 -0.001 -5.225 1.00 0.31 O ATOM 1609 CB LEU A 100 0.915 -0.305 -3.430 1.00 0.30 C ATOM 1610 CG LEU A 100 1.591 -1.588 -3.919 1.00 0.31 C ATOM 1611 CD1 LEU A 100 2.976 -1.285 -4.461 1.00 0.32 C ATOM 1612 CD2 LEU A 100 1.674 -2.604 -2.795 1.00 0.47 C ATOM 0 H LEU A 100 -0.343 1.822 -3.009 1.00 0.25 H new ATOM 0 HA LEU A 100 1.585 0.970 -5.007 1.00 0.24 H new ATOM 0 HB2 LEU A 100 1.542 0.145 -2.660 1.00 0.30 H new ATOM 0 HB3 LEU A 100 -0.030 -0.570 -2.957 1.00 0.30 H new ATOM 0 HG LEU A 100 0.989 -2.010 -4.724 1.00 0.31 H new ATOM 0 HD11 LEU A 100 3.442 -2.208 -4.804 1.00 0.32 H new ATOM 0 HD12 LEU A 100 2.896 -0.587 -5.295 1.00 0.32 H new ATOM 0 HD13 LEU A 100 3.586 -0.841 -3.674 1.00 0.32 H new ATOM 0 HD21 LEU A 100 2.157 -3.511 -3.159 1.00 0.47 H new ATOM 0 HD22 LEU A 100 2.255 -2.189 -1.971 1.00 0.47 H new ATOM 0 HD23 LEU A 100 0.670 -2.843 -2.446 1.00 0.47 H new ATOM 1624 N ASN A 101 0.123 0.042 -6.765 1.00 0.21 N ATOM 1625 CA ASN A 101 -0.727 -0.418 -7.856 1.00 0.22 C ATOM 1626 C ASN A 101 -0.653 -1.937 -7.946 1.00 0.22 C ATOM 1627 O ASN A 101 0.248 -2.494 -8.595 1.00 0.22 O ATOM 1628 CB ASN A 101 -0.284 0.218 -9.179 1.00 0.26 C ATOM 1629 CG ASN A 101 -1.246 -0.052 -10.327 1.00 0.30 C ATOM 1630 OD1 ASN A 101 -2.169 0.725 -10.572 1.00 1.04 O ATOM 1631 ND2 ASN A 101 -1.033 -1.145 -11.046 1.00 1.06 N ATOM 0 H ASN A 101 1.093 0.211 -7.031 1.00 0.21 H new ATOM 0 HA ASN A 101 -1.757 -0.120 -7.662 1.00 0.22 H new ATOM 0 HB2 ASN A 101 -0.186 1.295 -9.042 1.00 0.26 H new ATOM 0 HB3 ASN A 101 0.703 -0.161 -9.444 1.00 0.26 H new ATOM 0 HD21 ASN A 101 -1.644 -1.365 -11.832 1.00 1.06 H new ATOM 0 HD22 ASN A 101 -0.258 -1.766 -10.813 1.00 1.06 H new ATOM 1638 N VAL A 102 -1.582 -2.595 -7.268 1.00 0.25 N ATOM 1639 CA VAL A 102 -1.600 -4.048 -7.189 1.00 0.32 C ATOM 1640 C VAL A 102 -2.951 -4.615 -7.594 1.00 0.38 C ATOM 1641 O VAL A 102 -3.822 -3.895 -8.088 1.00 0.37 O ATOM 1642 CB VAL A 102 -1.266 -4.543 -5.766 1.00 0.35 C ATOM 1643 CG1 VAL A 102 0.203 -4.363 -5.471 1.00 0.36 C ATOM 1644 CG2 VAL A 102 -2.098 -3.812 -4.724 1.00 0.32 C ATOM 0 H VAL A 102 -2.340 -2.140 -6.760 1.00 0.25 H new ATOM 0 HA VAL A 102 -0.838 -4.400 -7.884 1.00 0.32 H new ATOM 0 HB VAL A 102 -1.508 -5.605 -5.718 1.00 0.35 H new ATOM 0 HG11 VAL A 102 0.418 -4.718 -4.463 1.00 0.36 H new ATOM 0 HG12 VAL A 102 0.791 -4.934 -6.190 1.00 0.36 H new ATOM 0 HG13 VAL A 102 0.463 -3.307 -5.547 1.00 0.36 H new ATOM 0 HG21 VAL A 102 -1.842 -4.180 -3.730 1.00 0.32 H new ATOM 0 HG22 VAL A 102 -1.892 -2.743 -4.779 1.00 0.32 H new ATOM 0 HG23 VAL A 102 -3.157 -3.988 -4.915 1.00 0.32 H new ATOM 1654 N GLY A 103 -3.116 -5.911 -7.372 1.00 0.50 N ATOM 1655 CA GLY A 103 -4.356 -6.574 -7.704 1.00 0.60 C ATOM 1656 C GLY A 103 -4.339 -7.100 -9.119 1.00 0.69 C ATOM 1657 O GLY A 103 -3.804 -8.175 -9.384 1.00 0.82 O ATOM 0 H GLY A 103 -2.405 -6.518 -6.964 1.00 0.50 H new ATOM 0 HA2 GLY A 103 -4.527 -7.397 -7.010 1.00 0.60 H new ATOM 0 HA3 GLY A 103 -5.186 -5.878 -7.583 1.00 0.60 H new ATOM 1661 N SER A 104 -4.920 -6.336 -10.023 1.00 0.69 N ATOM 1662 CA SER A 104 -4.944 -6.691 -11.428 1.00 0.79 C ATOM 1663 C SER A 104 -5.053 -5.419 -12.261 1.00 0.82 C ATOM 1664 O SER A 104 -5.360 -4.354 -11.731 1.00 0.75 O ATOM 1665 CB SER A 104 -6.129 -7.621 -11.706 1.00 0.95 C ATOM 1666 OG SER A 104 -6.103 -8.117 -13.033 1.00 1.63 O ATOM 0 H SER A 104 -5.387 -5.456 -9.806 1.00 0.69 H new ATOM 0 HA SER A 104 -4.026 -7.214 -11.696 1.00 0.79 H new ATOM 0 HB2 SER A 104 -6.110 -8.455 -11.005 1.00 0.95 H new ATOM 0 HB3 SER A 104 -7.062 -7.083 -11.536 1.00 0.95 H new ATOM 0 HG SER A 104 -6.640 -8.935 -13.087 1.00 1.63 H new ATOM 1672 N SER A 105 -4.801 -5.521 -13.554 1.00 0.99 N ATOM 1673 CA SER A 105 -4.947 -4.376 -14.433 1.00 1.12 C ATOM 1674 C SER A 105 -6.425 -4.156 -14.750 1.00 1.19 C ATOM 1675 O SER A 105 -6.850 -3.042 -15.059 1.00 1.31 O ATOM 1676 CB SER A 105 -4.142 -4.579 -15.719 1.00 1.36 C ATOM 1677 OG SER A 105 -4.167 -3.417 -16.532 1.00 1.63 O ATOM 0 H SER A 105 -4.497 -6.378 -14.015 1.00 0.99 H new ATOM 0 HA SER A 105 -4.559 -3.490 -13.930 1.00 1.12 H new ATOM 0 HB2 SER A 105 -3.111 -4.829 -15.469 1.00 1.36 H new ATOM 0 HB3 SER A 105 -4.549 -5.423 -16.275 1.00 1.36 H new ATOM 0 HG SER A 105 -3.644 -3.575 -17.345 1.00 1.63 H new ATOM 1683 N ILE A 106 -7.210 -5.225 -14.652 1.00 1.22 N ATOM 1684 CA ILE A 106 -8.645 -5.142 -14.900 1.00 1.35 C ATOM 1685 C ILE A 106 -9.377 -4.646 -13.658 1.00 1.21 C ATOM 1686 O ILE A 106 -10.467 -4.083 -13.748 1.00 1.38 O ATOM 1687 CB ILE A 106 -9.226 -6.501 -15.345 1.00 1.52 C ATOM 1688 CG1 ILE A 106 -8.984 -7.571 -14.276 1.00 1.94 C ATOM 1689 CG2 ILE A 106 -8.611 -6.916 -16.673 1.00 1.92 C ATOM 1690 CD1 ILE A 106 -9.507 -8.940 -14.651 1.00 2.18 C ATOM 0 H ILE A 106 -6.877 -6.157 -14.403 1.00 1.22 H new ATOM 0 HA ILE A 106 -8.793 -4.429 -15.711 1.00 1.35 H new ATOM 0 HB ILE A 106 -10.303 -6.397 -15.475 1.00 1.52 H new ATOM 0 HG12 ILE A 106 -7.914 -7.642 -14.083 1.00 1.94 H new ATOM 0 HG13 ILE A 106 -9.456 -7.255 -13.346 1.00 1.94 H new ATOM 0 HG21 ILE A 106 -9.025 -7.876 -16.982 1.00 1.92 H new ATOM 0 HG22 ILE A 106 -8.836 -6.164 -17.429 1.00 1.92 H new ATOM 0 HG23 ILE A 106 -7.530 -7.006 -16.561 1.00 1.92 H new ATOM 0 HD11 ILE A 106 -9.298 -9.643 -13.844 1.00 2.18 H new ATOM 0 HD12 ILE A 106 -10.583 -8.886 -14.816 1.00 2.18 H new ATOM 0 HD13 ILE A 106 -9.017 -9.279 -15.564 1.00 2.18 H new ATOM 1702 N LYS A 107 -8.764 -4.867 -12.504 1.00 0.98 N ATOM 1703 CA LYS A 107 -9.262 -4.335 -11.244 1.00 0.86 C ATOM 1704 C LYS A 107 -8.083 -3.861 -10.408 1.00 0.69 C ATOM 1705 O LYS A 107 -7.530 -4.617 -9.605 1.00 0.64 O ATOM 1706 CB LYS A 107 -10.072 -5.384 -10.468 1.00 0.93 C ATOM 1707 CG LYS A 107 -10.658 -4.844 -9.167 1.00 0.89 C ATOM 1708 CD LYS A 107 -11.480 -5.889 -8.422 1.00 1.01 C ATOM 1709 CE LYS A 107 -12.026 -5.325 -7.115 1.00 1.00 C ATOM 1710 NZ LYS A 107 -12.965 -6.264 -6.440 1.00 1.41 N ATOM 0 H LYS A 107 -7.910 -5.418 -12.415 1.00 0.98 H new ATOM 0 HA LYS A 107 -9.930 -3.501 -11.458 1.00 0.86 H new ATOM 0 HB2 LYS A 107 -10.881 -5.750 -11.100 1.00 0.93 H new ATOM 0 HB3 LYS A 107 -9.431 -6.237 -10.245 1.00 0.93 H new ATOM 0 HG2 LYS A 107 -9.849 -4.496 -8.524 1.00 0.89 H new ATOM 0 HG3 LYS A 107 -11.286 -3.980 -9.385 1.00 0.89 H new ATOM 0 HD2 LYS A 107 -12.305 -6.224 -9.051 1.00 1.01 H new ATOM 0 HD3 LYS A 107 -10.862 -6.763 -8.215 1.00 1.01 H new ATOM 0 HE2 LYS A 107 -11.196 -5.101 -6.445 1.00 1.00 H new ATOM 0 HE3 LYS A 107 -12.538 -4.384 -7.314 1.00 1.00 H new ATOM 0 HZ1 LYS A 107 -13.309 -5.836 -5.557 1.00 1.41 H new ATOM 0 HZ2 LYS A 107 -13.771 -6.459 -7.067 1.00 1.41 H new ATOM 0 HZ3 LYS A 107 -12.471 -7.153 -6.224 1.00 1.41 H new ATOM 1724 N SER A 108 -7.679 -2.620 -10.624 1.00 0.64 N ATOM 1725 CA SER A 108 -6.541 -2.061 -9.919 1.00 0.52 C ATOM 1726 C SER A 108 -6.947 -1.649 -8.517 1.00 0.44 C ATOM 1727 O SER A 108 -7.944 -0.950 -8.332 1.00 0.46 O ATOM 1728 CB SER A 108 -5.981 -0.858 -10.684 1.00 0.55 C ATOM 1729 OG SER A 108 -7.010 0.077 -10.980 1.00 1.25 O ATOM 0 H SER A 108 -8.124 -1.981 -11.283 1.00 0.64 H new ATOM 0 HA SER A 108 -5.763 -2.822 -9.850 1.00 0.52 H new ATOM 0 HB2 SER A 108 -5.204 -0.375 -10.092 1.00 0.55 H new ATOM 0 HB3 SER A 108 -5.513 -1.195 -11.609 1.00 0.55 H new ATOM 0 HG SER A 108 -7.691 0.048 -10.276 1.00 1.25 H new ATOM 1735 N ILE A 109 -6.183 -2.082 -7.538 1.00 0.37 N ATOM 1736 CA ILE A 109 -6.438 -1.699 -6.167 1.00 0.33 C ATOM 1737 C ILE A 109 -5.276 -0.879 -5.649 1.00 0.30 C ATOM 1738 O ILE A 109 -4.111 -1.242 -5.831 1.00 0.28 O ATOM 1739 CB ILE A 109 -6.664 -2.920 -5.246 1.00 0.34 C ATOM 1740 CG1 ILE A 109 -5.494 -3.900 -5.352 1.00 0.39 C ATOM 1741 CG2 ILE A 109 -7.973 -3.611 -5.594 1.00 0.37 C ATOM 1742 CD1 ILE A 109 -5.548 -5.027 -4.346 1.00 0.44 C ATOM 0 H ILE A 109 -5.381 -2.699 -7.666 1.00 0.37 H new ATOM 0 HA ILE A 109 -7.355 -1.110 -6.155 1.00 0.33 H new ATOM 0 HB ILE A 109 -6.722 -2.568 -4.216 1.00 0.34 H new ATOM 0 HG12 ILE A 109 -5.476 -4.323 -6.356 1.00 0.39 H new ATOM 0 HG13 ILE A 109 -4.561 -3.352 -5.220 1.00 0.39 H new ATOM 0 HG21 ILE A 109 -8.118 -4.469 -4.937 1.00 0.37 H new ATOM 0 HG22 ILE A 109 -8.799 -2.912 -5.465 1.00 0.37 H new ATOM 0 HG23 ILE A 109 -7.942 -3.949 -6.630 1.00 0.37 H new ATOM 0 HD11 ILE A 109 -4.686 -5.679 -4.484 1.00 0.44 H new ATOM 0 HD12 ILE A 109 -5.534 -4.615 -3.337 1.00 0.44 H new ATOM 0 HD13 ILE A 109 -6.464 -5.600 -4.491 1.00 0.44 H new ATOM 1754 N LEU A 110 -5.594 0.243 -5.041 1.00 0.30 N ATOM 1755 CA LEU A 110 -4.579 1.126 -4.514 1.00 0.29 C ATOM 1756 C LEU A 110 -4.458 0.907 -3.020 1.00 0.25 C ATOM 1757 O LEU A 110 -5.423 1.079 -2.280 1.00 0.26 O ATOM 1758 CB LEU A 110 -4.943 2.579 -4.826 1.00 0.35 C ATOM 1759 CG LEU A 110 -5.062 2.910 -6.316 1.00 0.45 C ATOM 1760 CD1 LEU A 110 -5.429 4.371 -6.513 1.00 0.96 C ATOM 1761 CD2 LEU A 110 -3.767 2.579 -7.045 1.00 1.32 C ATOM 0 H LEU A 110 -6.551 0.565 -4.900 1.00 0.30 H new ATOM 0 HA LEU A 110 -3.618 0.909 -4.980 1.00 0.29 H new ATOM 0 HB2 LEU A 110 -5.890 2.813 -4.340 1.00 0.35 H new ATOM 0 HB3 LEU A 110 -4.189 3.230 -4.384 1.00 0.35 H new ATOM 0 HG LEU A 110 -5.858 2.298 -6.739 1.00 0.45 H new ATOM 0 HD11 LEU A 110 -5.509 4.586 -7.579 1.00 0.96 H new ATOM 0 HD12 LEU A 110 -6.384 4.575 -6.029 1.00 0.96 H new ATOM 0 HD13 LEU A 110 -4.658 5.003 -6.072 1.00 0.96 H new ATOM 0 HD21 LEU A 110 -3.873 2.822 -8.102 1.00 1.32 H new ATOM 0 HD22 LEU A 110 -2.950 3.162 -6.619 1.00 1.32 H new ATOM 0 HD23 LEU A 110 -3.550 1.516 -6.936 1.00 1.32 H new ATOM 1773 N LEU A 111 -3.271 0.531 -2.581 1.00 0.23 N ATOM 1774 CA LEU A 111 -3.064 0.157 -1.193 1.00 0.23 C ATOM 1775 C LEU A 111 -1.852 0.869 -0.618 1.00 0.24 C ATOM 1776 O LEU A 111 -0.908 1.192 -1.341 1.00 0.22 O ATOM 1777 CB LEU A 111 -2.882 -1.364 -1.073 1.00 0.22 C ATOM 1778 CG LEU A 111 -4.123 -2.203 -1.399 1.00 0.23 C ATOM 1779 CD1 LEU A 111 -3.800 -3.686 -1.323 1.00 0.23 C ATOM 1780 CD2 LEU A 111 -5.262 -1.869 -0.447 1.00 0.28 C ATOM 0 H LEU A 111 -2.436 0.476 -3.164 1.00 0.23 H new ATOM 0 HA LEU A 111 -3.945 0.457 -0.625 1.00 0.23 H new ATOM 0 HB2 LEU A 111 -2.073 -1.669 -1.737 1.00 0.22 H new ATOM 0 HB3 LEU A 111 -2.565 -1.596 -0.056 1.00 0.22 H new ATOM 0 HG LEU A 111 -4.436 -1.964 -2.415 1.00 0.23 H new ATOM 0 HD11 LEU A 111 -4.693 -4.265 -1.557 1.00 0.23 H new ATOM 0 HD12 LEU A 111 -3.014 -3.924 -2.040 1.00 0.23 H new ATOM 0 HD13 LEU A 111 -3.461 -3.933 -0.317 1.00 0.23 H new ATOM 0 HD21 LEU A 111 -6.133 -2.475 -0.695 1.00 0.28 H new ATOM 0 HD22 LEU A 111 -4.954 -2.079 0.577 1.00 0.28 H new ATOM 0 HD23 LEU A 111 -5.516 -0.813 -0.540 1.00 0.28 H new ATOM 1792 N PRO A 112 -1.886 1.165 0.686 1.00 0.29 N ATOM 1793 CA PRO A 112 -0.738 1.716 1.399 1.00 0.32 C ATOM 1794 C PRO A 112 0.435 0.747 1.389 1.00 0.28 C ATOM 1795 O PRO A 112 0.333 -0.362 1.915 1.00 0.29 O ATOM 1796 CB PRO A 112 -1.252 1.915 2.832 1.00 0.41 C ATOM 1797 CG PRO A 112 -2.737 1.917 2.712 1.00 0.36 C ATOM 1798 CD PRO A 112 -3.052 1.003 1.566 1.00 0.36 C ATOM 0 HA PRO A 112 -0.373 2.637 0.943 1.00 0.32 H new ATOM 0 HB2 PRO A 112 -0.910 1.115 3.489 1.00 0.41 H new ATOM 0 HB3 PRO A 112 -0.889 2.852 3.255 1.00 0.41 H new ATOM 0 HG2 PRO A 112 -3.205 1.567 3.632 1.00 0.36 H new ATOM 0 HG3 PRO A 112 -3.114 2.923 2.526 1.00 0.36 H new ATOM 0 HD2 PRO A 112 -3.170 -0.030 1.894 1.00 0.36 H new ATOM 0 HD3 PRO A 112 -3.978 1.287 1.066 1.00 0.36 H new ATOM 1806 N ILE A 113 1.536 1.163 0.771 1.00 0.27 N ATOM 1807 CA ILE A 113 2.782 0.398 0.801 1.00 0.28 C ATOM 1808 C ILE A 113 3.207 0.176 2.260 1.00 0.26 C ATOM 1809 O ILE A 113 3.954 -0.744 2.583 1.00 0.29 O ATOM 1810 CB ILE A 113 3.894 1.112 -0.015 1.00 0.35 C ATOM 1811 CG1 ILE A 113 5.201 0.331 0.024 1.00 0.47 C ATOM 1812 CG2 ILE A 113 4.119 2.528 0.488 1.00 0.36 C ATOM 1813 CD1 ILE A 113 6.327 0.997 -0.739 1.00 0.69 C ATOM 0 H ILE A 113 1.592 2.032 0.239 1.00 0.27 H new ATOM 0 HA ILE A 113 2.619 -0.573 0.333 1.00 0.28 H new ATOM 0 HB ILE A 113 3.554 1.160 -1.049 1.00 0.35 H new ATOM 0 HG12 ILE A 113 5.505 0.199 1.062 1.00 0.47 H new ATOM 0 HG13 ILE A 113 5.033 -0.664 -0.388 1.00 0.47 H new ATOM 0 HG21 ILE A 113 4.903 3.003 -0.102 1.00 0.36 H new ATOM 0 HG22 ILE A 113 3.196 3.099 0.392 1.00 0.36 H new ATOM 0 HG23 ILE A 113 4.420 2.499 1.535 1.00 0.36 H new ATOM 0 HD11 ILE A 113 7.226 0.385 -0.668 1.00 0.69 H new ATOM 0 HD12 ILE A 113 6.043 1.105 -1.786 1.00 0.69 H new ATOM 0 HD13 ILE A 113 6.523 1.981 -0.313 1.00 0.69 H new ATOM 1825 N GLU A 114 2.692 1.043 3.128 1.00 0.27 N ATOM 1826 CA GLU A 114 2.841 0.925 4.574 1.00 0.34 C ATOM 1827 C GLU A 114 2.284 -0.409 5.106 1.00 0.33 C ATOM 1828 O GLU A 114 2.837 -0.989 6.040 1.00 0.42 O ATOM 1829 CB GLU A 114 2.132 2.121 5.231 1.00 0.38 C ATOM 1830 CG GLU A 114 1.745 1.912 6.683 1.00 0.45 C ATOM 1831 CD GLU A 114 1.144 3.150 7.324 1.00 1.16 C ATOM 1832 OE1 GLU A 114 0.902 4.145 6.606 1.00 1.77 O ATOM 1833 OE2 GLU A 114 0.913 3.129 8.554 1.00 1.74 O ATOM 0 H GLU A 114 2.152 1.859 2.841 1.00 0.27 H new ATOM 0 HA GLU A 114 3.902 0.933 4.825 1.00 0.34 H new ATOM 0 HB2 GLU A 114 2.783 2.992 5.165 1.00 0.38 H new ATOM 0 HB3 GLU A 114 1.233 2.351 4.659 1.00 0.38 H new ATOM 0 HG2 GLU A 114 1.029 1.093 6.747 1.00 0.45 H new ATOM 0 HG3 GLU A 114 2.627 1.610 7.248 1.00 0.45 H new ATOM 1840 N LEU A 115 1.210 -0.900 4.491 1.00 0.27 N ATOM 1841 CA LEU A 115 0.543 -2.127 4.943 1.00 0.31 C ATOM 1842 C LEU A 115 0.890 -3.302 4.047 1.00 0.26 C ATOM 1843 O LEU A 115 0.276 -4.367 4.134 1.00 0.30 O ATOM 1844 CB LEU A 115 -0.978 -1.930 4.948 1.00 0.44 C ATOM 1845 CG LEU A 115 -1.515 -0.910 5.955 1.00 0.50 C ATOM 1846 CD1 LEU A 115 -2.953 -0.549 5.623 1.00 0.95 C ATOM 1847 CD2 LEU A 115 -1.434 -1.460 7.369 1.00 0.80 C ATOM 0 H LEU A 115 0.779 -0.467 3.674 1.00 0.27 H new ATOM 0 HA LEU A 115 0.891 -2.342 5.953 1.00 0.31 H new ATOM 0 HB2 LEU A 115 -1.289 -1.624 3.949 1.00 0.44 H new ATOM 0 HB3 LEU A 115 -1.449 -2.892 5.148 1.00 0.44 H new ATOM 0 HG LEU A 115 -0.900 -0.013 5.893 1.00 0.50 H new ATOM 0 HD11 LEU A 115 -3.322 0.177 6.347 1.00 0.95 H new ATOM 0 HD12 LEU A 115 -2.998 -0.119 4.622 1.00 0.95 H new ATOM 0 HD13 LEU A 115 -3.571 -1.446 5.661 1.00 0.95 H new ATOM 0 HD21 LEU A 115 -1.820 -0.720 8.070 1.00 0.80 H new ATOM 0 HD22 LEU A 115 -2.028 -2.371 7.439 1.00 0.80 H new ATOM 0 HD23 LEU A 115 -0.396 -1.684 7.613 1.00 0.80 H new ATOM 1859 N CYS A 116 1.869 -3.108 3.189 1.00 0.23 N ATOM 1860 CA CYS A 116 2.315 -4.168 2.314 1.00 0.24 C ATOM 1861 C CYS A 116 3.688 -4.634 2.754 1.00 0.24 C ATOM 1862 O CYS A 116 4.552 -3.827 3.098 1.00 0.37 O ATOM 1863 CB CYS A 116 2.327 -3.695 0.864 1.00 0.25 C ATOM 1864 SG CYS A 116 0.767 -2.937 0.348 1.00 0.28 S ATOM 0 H CYS A 116 2.370 -2.226 3.080 1.00 0.23 H new ATOM 0 HA CYS A 116 1.624 -5.008 2.377 1.00 0.24 H new ATOM 0 HB2 CYS A 116 3.135 -2.976 0.730 1.00 0.25 H new ATOM 0 HB3 CYS A 116 2.544 -4.543 0.214 1.00 0.25 H new ATOM 0 HG CYS A 116 0.481 -1.948 1.142 1.00 0.28 H new ATOM 1870 N SER A 117 3.877 -5.934 2.777 1.00 0.22 N ATOM 1871 CA SER A 117 5.094 -6.506 3.294 1.00 0.25 C ATOM 1872 C SER A 117 5.673 -7.528 2.311 1.00 0.27 C ATOM 1873 O SER A 117 4.971 -8.412 1.825 1.00 0.35 O ATOM 1874 CB SER A 117 4.800 -7.105 4.675 1.00 0.27 C ATOM 1875 OG SER A 117 5.828 -7.972 5.114 1.00 0.34 O ATOM 0 H SER A 117 3.198 -6.616 2.441 1.00 0.22 H new ATOM 0 HA SER A 117 5.859 -5.738 3.410 1.00 0.25 H new ATOM 0 HB2 SER A 117 4.673 -6.300 5.398 1.00 0.27 H new ATOM 0 HB3 SER A 117 3.858 -7.652 4.638 1.00 0.27 H new ATOM 0 HG SER A 117 5.600 -8.329 5.998 1.00 0.34 H new ATOM 1881 N ILE A 118 6.956 -7.367 2.017 1.00 0.23 N ATOM 1882 CA ILE A 118 7.655 -8.161 1.013 1.00 0.22 C ATOM 1883 C ILE A 118 7.895 -9.587 1.498 1.00 0.24 C ATOM 1884 O ILE A 118 8.298 -9.811 2.640 1.00 0.28 O ATOM 1885 CB ILE A 118 9.004 -7.487 0.650 1.00 0.24 C ATOM 1886 CG1 ILE A 118 8.746 -6.180 -0.104 1.00 0.41 C ATOM 1887 CG2 ILE A 118 9.905 -8.407 -0.163 1.00 0.25 C ATOM 1888 CD1 ILE A 118 9.999 -5.483 -0.589 1.00 0.50 C ATOM 0 H ILE A 118 7.548 -6.674 2.474 1.00 0.23 H new ATOM 0 HA ILE A 118 7.025 -8.212 0.125 1.00 0.22 H new ATOM 0 HB ILE A 118 9.528 -7.270 1.581 1.00 0.24 H new ATOM 0 HG12 ILE A 118 8.106 -6.389 -0.961 1.00 0.41 H new ATOM 0 HG13 ILE A 118 8.196 -5.501 0.547 1.00 0.41 H new ATOM 0 HG21 ILE A 118 10.838 -7.892 -0.394 1.00 0.25 H new ATOM 0 HG22 ILE A 118 10.120 -9.307 0.413 1.00 0.25 H new ATOM 0 HG23 ILE A 118 9.403 -8.681 -1.091 1.00 0.25 H new ATOM 0 HD11 ILE A 118 9.726 -4.567 -1.112 1.00 0.50 H new ATOM 0 HD12 ILE A 118 10.633 -5.239 0.264 1.00 0.50 H new ATOM 0 HD13 ILE A 118 10.542 -6.141 -1.268 1.00 0.50 H new ATOM 1900 N GLU A 119 7.635 -10.543 0.619 1.00 0.35 N ATOM 1901 CA GLU A 119 7.804 -11.948 0.944 1.00 0.49 C ATOM 1902 C GLU A 119 9.161 -12.459 0.468 1.00 0.52 C ATOM 1903 O GLU A 119 9.498 -12.359 -0.715 1.00 0.63 O ATOM 1904 CB GLU A 119 6.691 -12.773 0.307 1.00 0.72 C ATOM 1905 CG GLU A 119 6.704 -14.229 0.734 1.00 1.01 C ATOM 1906 CD GLU A 119 5.481 -14.989 0.280 1.00 1.60 C ATOM 1907 OE1 GLU A 119 5.378 -15.283 -0.924 1.00 2.30 O ATOM 1908 OE2 GLU A 119 4.625 -15.306 1.131 1.00 1.77 O ATOM 0 H GLU A 119 7.304 -10.368 -0.330 1.00 0.35 H new ATOM 0 HA GLU A 119 7.755 -12.052 2.028 1.00 0.49 H new ATOM 0 HB2 GLU A 119 5.728 -12.334 0.567 1.00 0.72 H new ATOM 0 HB3 GLU A 119 6.783 -12.719 -0.778 1.00 0.72 H new ATOM 0 HG2 GLU A 119 7.595 -14.712 0.332 1.00 1.01 H new ATOM 0 HG3 GLU A 119 6.775 -14.282 1.820 1.00 1.01 H new ATOM 1915 N GLU A 120 9.926 -13.012 1.399 1.00 0.67 N ATOM 1916 CA GLU A 120 11.221 -13.607 1.086 1.00 0.86 C ATOM 1917 C GLU A 120 11.015 -14.983 0.486 1.00 1.01 C ATOM 1918 O GLU A 120 11.824 -15.463 -0.304 1.00 1.25 O ATOM 1919 CB GLU A 120 12.059 -13.747 2.356 1.00 1.16 C ATOM 1920 CG GLU A 120 12.093 -12.492 3.194 1.00 1.77 C ATOM 1921 CD GLU A 120 12.843 -11.364 2.516 1.00 2.40 C ATOM 1922 OE1 GLU A 120 14.088 -11.381 2.514 1.00 2.91 O ATOM 1923 OE2 GLU A 120 12.178 -10.446 1.985 1.00 2.64 O ATOM 0 H GLU A 120 9.671 -13.062 2.385 1.00 0.67 H new ATOM 0 HA GLU A 120 11.739 -12.961 0.377 1.00 0.86 H new ATOM 0 HB2 GLU A 120 11.661 -14.565 2.956 1.00 1.16 H new ATOM 0 HB3 GLU A 120 13.078 -14.019 2.082 1.00 1.16 H new ATOM 0 HG2 GLU A 120 11.073 -12.171 3.404 1.00 1.77 H new ATOM 0 HG3 GLU A 120 12.562 -12.712 4.153 1.00 1.77 H new