USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 598 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 29 SER OG : rot -67:sc= 0.04 USER MOD Set 1.2: A 30 HIS : no HD1:sc= -7.47! C(o=-7.4!,f=-5.6!) USER MOD Single : A 7 LYS NZ :NH3+ -135:sc= -0.564 (180deg=-4.55!) USER MOD Single : A 13 LYS NZ :NH3+ -158:sc= 0.985 (180deg=0.444) USER MOD Single : A 14 HIS : no HE2:sc= -1.68! C(o=-1.7!,f=-6.4!) USER MOD Single : A 16 LYS NZ :NH3+ -105:sc= 1.21 (180deg=-1.78) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -147:sc= -0.168 (180deg=-0.953) USER MOD Single : A 24 MET CE :methyl -116:sc= 0 (180deg=-0.181) USER MOD Single : A 28 TYR OH : rot -124:sc= 0.624 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.0409) USER MOD Single : A 33 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.2) USER MOD Single : A 35 THR OG1 : rot -85:sc= 0.643 USER MOD Single : A 40 ASN : amide:sc= -0.205 X(o=-0.2,f=-0.055) USER MOD Single : A 41 THR OG1 : rot 113:sc= 0.499 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 152:sc= -0.323 (180deg=-2.33!) USER MOD Single : A 59 ASN : amide:sc= -0.56 K(o=-0.56,f=-5.4!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 3:sc= -0.161! USER MOD Single : A 66 LYS NZ :NH3+ 178:sc= 2.16 (180deg=2.04) USER MOD Single : A 70 MET CE :methyl -179:sc= 0 (180deg=-0.00156) USER MOD Single : A 71 LYS NZ :NH3+ -140:sc= -3.08! (180deg=-5.06!) USER MOD Single : A 73 TYR OH : rot 64:sc= -3.28! USER MOD Single : A 76 LYS NZ :NH3+ -141:sc= -1.77! (180deg=-5.41!) USER MOD Single : A 81 LYS NZ :NH3+ -155:sc= 1.43 (180deg=-0.978!) USER MOD Single : A 82 LYS NZ :NH3+ -137:sc= 1.06 (180deg=-0.356) USER MOD Single : A 83 LYS NZ :NH3+ 137:sc= 0.332 (180deg=-0.4) USER MOD Single : A 84 TYR OH : rot 180:sc= 0.917 USER MOD ----------------------------------------------------------------- ATOM 41 N GLU A 4 5.004 1.733 -1.276 1.00 0.21 N ATOM 42 CA GLU A 4 5.734 0.577 -0.726 1.00 0.17 C ATOM 43 C GLU A 4 7.097 0.472 -1.352 1.00 0.12 C ATOM 44 O GLU A 4 8.122 0.239 -0.751 1.00 0.21 O ATOM 45 CB GLU A 4 4.911 -0.681 -0.974 1.00 0.25 C ATOM 46 CG GLU A 4 4.183 -1.073 0.350 1.00 0.24 C ATOM 47 CD GLU A 4 5.123 -0.997 1.569 1.00 1.75 C ATOM 48 OE1 GLU A 4 6.189 -1.584 1.492 1.00 2.90 O ATOM 49 OE2 GLU A 4 4.718 -0.343 2.514 1.00 2.17 O ATOM 0 HA GLU A 4 5.879 0.702 0.347 1.00 0.17 H new ATOM 0 HB2 GLU A 4 4.184 -0.507 -1.767 1.00 0.25 H new ATOM 0 HB3 GLU A 4 5.556 -1.495 -1.306 1.00 0.25 H new ATOM 0 HG2 GLU A 4 3.332 -0.410 0.506 1.00 0.24 H new ATOM 0 HG3 GLU A 4 3.787 -2.084 0.260 1.00 0.24 H new ATOM 56 N PHE A 5 7.032 0.682 -2.614 1.00 0.12 N ATOM 57 CA PHE A 5 8.208 0.650 -3.500 1.00 0.14 C ATOM 58 C PHE A 5 9.079 1.914 -3.302 1.00 0.14 C ATOM 59 O PHE A 5 10.289 1.852 -3.269 1.00 0.21 O ATOM 60 CB PHE A 5 7.543 0.494 -4.819 1.00 0.20 C ATOM 61 CG PHE A 5 8.494 0.914 -5.900 1.00 0.16 C ATOM 62 CD1 PHE A 5 8.741 2.245 -6.088 1.00 1.25 C ATOM 63 CD2 PHE A 5 9.126 -0.026 -6.666 1.00 1.15 C ATOM 64 CE1 PHE A 5 9.624 2.634 -7.045 1.00 1.34 C ATOM 65 CE2 PHE A 5 10.016 0.346 -7.626 1.00 1.08 C ATOM 66 CZ PHE A 5 10.269 1.687 -7.817 1.00 0.23 C ATOM 0 H PHE A 5 6.159 0.887 -3.100 1.00 0.12 H new ATOM 0 HA PHE A 5 8.942 -0.138 -3.330 1.00 0.14 H new ATOM 0 HB2 PHE A 5 7.239 -0.542 -4.967 1.00 0.20 H new ATOM 0 HB3 PHE A 5 6.638 1.100 -4.858 1.00 0.20 H new ATOM 0 HD1 PHE A 5 8.238 2.983 -5.480 1.00 1.25 H new ATOM 0 HD2 PHE A 5 8.917 -1.074 -6.508 1.00 1.15 H new ATOM 0 HE1 PHE A 5 9.822 3.684 -7.202 1.00 1.34 H new ATOM 0 HE2 PHE A 5 10.516 -0.398 -8.228 1.00 1.08 H new ATOM 0 HZ PHE A 5 10.974 1.999 -8.573 1.00 0.23 H new ATOM 76 N ASP A 6 8.439 3.041 -3.197 1.00 0.09 N ATOM 77 CA ASP A 6 9.136 4.337 -2.988 1.00 0.09 C ATOM 78 C ASP A 6 10.059 4.144 -1.782 1.00 0.11 C ATOM 79 O ASP A 6 11.241 4.435 -1.768 1.00 0.12 O ATOM 80 CB ASP A 6 7.977 5.284 -2.805 1.00 0.14 C ATOM 81 CG ASP A 6 7.101 5.220 -4.055 1.00 0.14 C ATOM 82 OD1 ASP A 6 6.206 4.377 -4.060 1.00 1.19 O ATOM 83 OD2 ASP A 6 7.381 6.002 -4.937 1.00 0.94 O ATOM 0 H ASP A 6 7.423 3.119 -3.250 1.00 0.09 H new ATOM 0 HA ASP A 6 9.787 4.716 -3.776 1.00 0.09 H new ATOM 0 HB2 ASP A 6 7.399 5.010 -1.922 1.00 0.14 H new ATOM 0 HB3 ASP A 6 8.339 6.300 -2.647 1.00 0.14 H new ATOM 88 N LYS A 7 9.430 3.623 -0.776 1.00 0.16 N ATOM 89 CA LYS A 7 10.127 3.323 0.511 1.00 0.23 C ATOM 90 C LYS A 7 11.417 2.594 0.109 1.00 0.32 C ATOM 91 O LYS A 7 12.523 3.044 0.314 1.00 0.44 O ATOM 92 CB LYS A 7 9.204 2.427 1.331 1.00 0.37 C ATOM 93 CG LYS A 7 9.978 1.553 2.365 1.00 0.91 C ATOM 94 CD LYS A 7 8.948 0.556 2.933 1.00 1.72 C ATOM 95 CE LYS A 7 9.626 -0.735 3.427 1.00 2.61 C ATOM 96 NZ LYS A 7 10.511 -0.442 4.597 1.00 2.32 N ATOM 0 H LYS A 7 8.438 3.384 -0.785 1.00 0.16 H new ATOM 0 HA LYS A 7 10.363 4.203 1.109 1.00 0.23 H new ATOM 0 HB2 LYS A 7 8.476 3.046 1.856 1.00 0.37 H new ATOM 0 HB3 LYS A 7 8.644 1.777 0.659 1.00 0.37 H new ATOM 0 HG2 LYS A 7 10.807 1.029 1.890 1.00 0.91 H new ATOM 0 HG3 LYS A 7 10.402 2.170 3.157 1.00 0.91 H new ATOM 0 HD2 LYS A 7 8.405 1.021 3.756 1.00 1.72 H new ATOM 0 HD3 LYS A 7 8.214 0.312 2.165 1.00 1.72 H new ATOM 0 HE2 LYS A 7 8.869 -1.466 3.709 1.00 2.61 H new ATOM 0 HE3 LYS A 7 10.212 -1.177 2.621 1.00 2.61 H new ATOM 0 HZ1 LYS A 7 11.421 -0.930 4.474 1.00 2.32 H new ATOM 0 HZ2 LYS A 7 10.673 0.583 4.661 1.00 2.32 H new ATOM 0 HZ3 LYS A 7 10.054 -0.776 5.470 1.00 2.32 H new ATOM 110 N ALA A 8 11.212 1.447 -0.477 1.00 0.30 N ATOM 111 CA ALA A 8 12.353 0.608 -0.937 1.00 0.34 C ATOM 112 C ALA A 8 13.386 1.487 -1.701 1.00 0.32 C ATOM 113 O ALA A 8 14.549 1.518 -1.350 1.00 0.39 O ATOM 114 CB ALA A 8 11.711 -0.478 -1.763 1.00 0.24 C ATOM 0 H ALA A 8 10.290 1.051 -0.659 1.00 0.30 H new ATOM 0 HA ALA A 8 12.935 0.158 -0.133 1.00 0.34 H new ATOM 0 HB1 ALA A 8 12.481 -1.148 -2.145 1.00 0.24 H new ATOM 0 HB2 ALA A 8 11.014 -1.043 -1.143 1.00 0.24 H new ATOM 0 HB3 ALA A 8 11.173 -0.030 -2.598 1.00 0.24 H new ATOM 120 N ALA A 9 12.952 2.194 -2.719 1.00 0.26 N ATOM 121 CA ALA A 9 13.855 3.087 -3.518 1.00 0.31 C ATOM 122 C ALA A 9 14.713 4.019 -2.669 1.00 0.38 C ATOM 123 O ALA A 9 15.709 4.514 -3.157 1.00 0.54 O ATOM 124 CB ALA A 9 13.016 3.930 -4.434 1.00 0.24 C ATOM 0 H ALA A 9 11.983 2.189 -3.038 1.00 0.26 H new ATOM 0 HA ALA A 9 14.534 2.431 -4.062 1.00 0.31 H new ATOM 0 HB1 ALA A 9 13.662 4.584 -5.020 1.00 0.24 H new ATOM 0 HB2 ALA A 9 12.448 3.285 -5.104 1.00 0.24 H new ATOM 0 HB3 ALA A 9 12.328 4.535 -3.843 1.00 0.24 H new ATOM 130 N GLU A 10 14.291 4.211 -1.452 1.00 0.31 N ATOM 131 CA GLU A 10 15.009 5.091 -0.496 1.00 0.35 C ATOM 132 C GLU A 10 15.828 4.132 0.342 1.00 0.25 C ATOM 133 O GLU A 10 17.043 4.220 0.348 1.00 0.27 O ATOM 134 CB GLU A 10 13.926 5.868 0.303 1.00 0.44 C ATOM 135 CG GLU A 10 13.179 6.897 -0.623 1.00 1.30 C ATOM 136 CD GLU A 10 14.028 8.131 -0.942 1.00 2.45 C ATOM 137 OE1 GLU A 10 15.133 7.919 -1.390 1.00 3.42 O ATOM 138 OE2 GLU A 10 13.549 9.228 -0.736 1.00 2.61 O ATOM 0 H GLU A 10 13.450 3.779 -1.070 1.00 0.31 H new ATOM 0 HA GLU A 10 15.669 5.840 -0.933 1.00 0.35 H new ATOM 0 HB2 GLU A 10 13.208 5.167 0.728 1.00 0.44 H new ATOM 0 HB3 GLU A 10 14.390 6.393 1.137 1.00 0.44 H new ATOM 0 HG2 GLU A 10 12.898 6.404 -1.554 1.00 1.30 H new ATOM 0 HG3 GLU A 10 12.255 7.212 -0.138 1.00 1.30 H new ATOM 145 N GLU A 11 15.150 3.239 1.002 1.00 0.20 N ATOM 146 CA GLU A 11 15.752 2.197 1.882 1.00 0.15 C ATOM 147 C GLU A 11 17.046 1.661 1.188 1.00 0.14 C ATOM 148 O GLU A 11 18.152 1.774 1.677 1.00 0.14 O ATOM 149 CB GLU A 11 14.583 1.212 2.034 1.00 0.16 C ATOM 150 CG GLU A 11 13.485 1.772 3.008 1.00 0.33 C ATOM 151 CD GLU A 11 13.000 0.919 4.189 1.00 0.63 C ATOM 152 OE1 GLU A 11 13.315 -0.251 4.270 1.00 0.69 O ATOM 153 OE2 GLU A 11 12.266 1.445 5.011 1.00 1.39 O ATOM 0 H GLU A 11 14.132 3.187 0.963 1.00 0.20 H new ATOM 0 HA GLU A 11 16.107 2.498 2.868 1.00 0.15 H new ATOM 0 HB2 GLU A 11 14.140 1.017 1.057 1.00 0.16 H new ATOM 0 HB3 GLU A 11 14.955 0.259 2.411 1.00 0.16 H new ATOM 0 HG2 GLU A 11 13.863 2.709 3.418 1.00 0.33 H new ATOM 0 HG3 GLU A 11 12.611 2.017 2.405 1.00 0.33 H new ATOM 160 N VAL A 12 16.871 1.098 0.022 1.00 0.12 N ATOM 161 CA VAL A 12 17.981 0.539 -0.768 1.00 0.14 C ATOM 162 C VAL A 12 19.125 1.548 -0.894 1.00 0.28 C ATOM 163 O VAL A 12 20.274 1.225 -0.658 1.00 0.40 O ATOM 164 CB VAL A 12 17.328 0.116 -2.101 1.00 0.15 C ATOM 165 CG1 VAL A 12 17.280 1.121 -3.226 1.00 0.14 C ATOM 166 CG2 VAL A 12 17.971 -1.126 -2.546 1.00 0.20 C ATOM 0 H VAL A 12 15.959 1.005 -0.424 1.00 0.12 H new ATOM 0 HA VAL A 12 18.465 -0.322 -0.307 1.00 0.14 H new ATOM 0 HB VAL A 12 16.271 -0.003 -1.865 1.00 0.15 H new ATOM 0 HG11 VAL A 12 16.792 0.674 -4.092 1.00 0.14 H new ATOM 0 HG12 VAL A 12 16.719 1.999 -2.906 1.00 0.14 H new ATOM 0 HG13 VAL A 12 18.295 1.417 -3.493 1.00 0.14 H new ATOM 0 HG21 VAL A 12 17.527 -1.448 -3.488 1.00 0.20 H new ATOM 0 HG22 VAL A 12 19.038 -0.953 -2.688 1.00 0.20 H new ATOM 0 HG23 VAL A 12 17.826 -1.901 -1.793 1.00 0.20 H new ATOM 176 N LYS A 13 18.802 2.764 -1.252 1.00 0.32 N ATOM 177 CA LYS A 13 19.833 3.827 -1.396 1.00 0.39 C ATOM 178 C LYS A 13 20.524 4.105 -0.046 1.00 0.36 C ATOM 179 O LYS A 13 21.578 4.710 0.010 1.00 0.50 O ATOM 180 CB LYS A 13 19.163 5.093 -1.863 1.00 0.46 C ATOM 181 CG LYS A 13 18.862 5.155 -3.359 1.00 0.21 C ATOM 182 CD LYS A 13 18.542 6.665 -3.658 1.00 0.26 C ATOM 183 CE LYS A 13 17.135 7.005 -3.150 1.00 2.20 C ATOM 184 NZ LYS A 13 16.878 8.472 -3.202 1.00 3.09 N ATOM 0 H LYS A 13 17.849 3.067 -1.453 1.00 0.32 H new ATOM 0 HA LYS A 13 20.582 3.495 -2.115 1.00 0.39 H new ATOM 0 HB2 LYS A 13 18.228 5.214 -1.315 1.00 0.46 H new ATOM 0 HB3 LYS A 13 19.798 5.939 -1.601 1.00 0.46 H new ATOM 0 HG2 LYS A 13 19.713 4.810 -3.946 1.00 0.21 H new ATOM 0 HG3 LYS A 13 18.017 4.516 -3.617 1.00 0.21 H new ATOM 0 HD2 LYS A 13 19.279 7.306 -3.174 1.00 0.26 H new ATOM 0 HD3 LYS A 13 18.609 6.856 -4.729 1.00 0.26 H new ATOM 0 HE2 LYS A 13 16.393 6.482 -3.753 1.00 2.20 H new ATOM 0 HE3 LYS A 13 17.021 6.650 -2.126 1.00 2.20 H new ATOM 0 HZ1 LYS A 13 16.116 8.715 -2.537 1.00 3.09 H new ATOM 0 HZ2 LYS A 13 17.743 8.986 -2.939 1.00 3.09 H new ATOM 0 HZ3 LYS A 13 16.595 8.741 -4.166 1.00 3.09 H new ATOM 198 N HIS A 14 19.899 3.635 0.998 1.00 0.22 N ATOM 199 CA HIS A 14 20.437 3.830 2.373 1.00 0.25 C ATOM 200 C HIS A 14 21.151 2.563 2.842 1.00 0.35 C ATOM 201 O HIS A 14 21.643 2.545 3.954 1.00 0.40 O ATOM 202 CB HIS A 14 19.268 4.190 3.350 1.00 0.21 C ATOM 203 CG HIS A 14 18.637 5.547 3.033 1.00 0.14 C ATOM 204 ND1 HIS A 14 17.574 5.719 2.327 1.00 0.15 N ATOM 205 CD2 HIS A 14 19.017 6.825 3.393 1.00 0.20 C ATOM 206 CE1 HIS A 14 17.298 6.988 2.241 1.00 0.21 C ATOM 207 NE2 HIS A 14 18.176 7.708 2.893 1.00 0.16 N ATOM 0 H HIS A 14 19.023 3.115 0.955 1.00 0.22 H new ATOM 0 HA HIS A 14 21.156 4.649 2.364 1.00 0.25 H new ATOM 0 HB2 HIS A 14 18.503 3.416 3.297 1.00 0.21 H new ATOM 0 HB3 HIS A 14 19.643 4.197 4.373 1.00 0.21 H new ATOM 0 HD1 HIS A 14 17.029 4.971 1.898 1.00 0.15 H new ATOM 0 HD2 HIS A 14 19.879 7.066 3.997 1.00 0.20 H new ATOM 0 HE1 HIS A 14 16.455 7.394 1.702 1.00 0.21 H new ATOM 215 N LEU A 15 21.207 1.527 2.027 1.00 0.39 N ATOM 216 CA LEU A 15 21.905 0.299 2.445 1.00 0.50 C ATOM 217 C LEU A 15 23.368 0.752 2.418 1.00 0.23 C ATOM 218 O LEU A 15 24.041 0.599 1.418 1.00 0.39 O ATOM 219 CB LEU A 15 21.666 -0.759 1.418 1.00 0.70 C ATOM 220 CG LEU A 15 20.233 -1.186 1.316 1.00 0.78 C ATOM 221 CD1 LEU A 15 20.151 -2.012 0.068 1.00 0.91 C ATOM 222 CD2 LEU A 15 19.814 -2.025 2.489 1.00 0.95 C ATOM 0 H LEU A 15 20.794 1.496 1.095 1.00 0.39 H new ATOM 0 HA LEU A 15 21.593 -0.110 3.406 1.00 0.50 H new ATOM 0 HB2 LEU A 15 21.996 -0.391 0.447 1.00 0.70 H new ATOM 0 HB3 LEU A 15 22.279 -1.628 1.655 1.00 0.70 H new ATOM 0 HG LEU A 15 19.577 -0.316 1.299 1.00 0.78 H new ATOM 0 HD11 LEU A 15 19.127 -2.360 -0.071 1.00 0.91 H new ATOM 0 HD12 LEU A 15 20.449 -1.407 -0.789 1.00 0.91 H new ATOM 0 HD13 LEU A 15 20.817 -2.870 0.155 1.00 0.91 H new ATOM 0 HD21 LEU A 15 18.769 -2.313 2.375 1.00 0.95 H new ATOM 0 HD22 LEU A 15 20.434 -2.920 2.536 1.00 0.95 H new ATOM 0 HD23 LEU A 15 19.934 -1.451 3.408 1.00 0.95 H new ATOM 234 N LYS A 16 23.756 1.321 3.535 1.00 0.56 N ATOM 235 CA LYS A 16 25.139 1.864 3.806 1.00 0.70 C ATOM 236 C LYS A 16 26.274 1.362 2.921 1.00 0.76 C ATOM 237 O LYS A 16 27.230 2.076 2.673 1.00 0.99 O ATOM 238 CB LYS A 16 25.482 1.582 5.308 1.00 0.86 C ATOM 239 CG LYS A 16 25.407 2.914 6.111 1.00 1.79 C ATOM 240 CD LYS A 16 26.817 3.391 6.608 1.00 2.73 C ATOM 241 CE LYS A 16 27.923 3.399 5.532 1.00 4.09 C ATOM 242 NZ LYS A 16 27.468 4.212 4.362 1.00 5.13 N ATOM 0 H LYS A 16 23.126 1.440 4.328 1.00 0.56 H new ATOM 0 HA LYS A 16 25.081 2.925 3.563 1.00 0.70 H new ATOM 0 HB2 LYS A 16 24.784 0.854 5.722 1.00 0.86 H new ATOM 0 HB3 LYS A 16 26.479 1.150 5.390 1.00 0.86 H new ATOM 0 HG2 LYS A 16 24.964 3.688 5.485 1.00 1.79 H new ATOM 0 HG3 LYS A 16 24.748 2.782 6.969 1.00 1.79 H new ATOM 0 HD2 LYS A 16 26.720 4.398 7.015 1.00 2.73 H new ATOM 0 HD3 LYS A 16 27.134 2.746 7.427 1.00 2.73 H new ATOM 0 HE2 LYS A 16 28.843 3.815 5.943 1.00 4.09 H new ATOM 0 HE3 LYS A 16 28.147 2.380 5.216 1.00 4.09 H new ATOM 0 HZ1 LYS A 16 27.206 3.579 3.580 1.00 5.13 H new ATOM 0 HZ2 LYS A 16 26.643 4.783 4.636 1.00 5.13 H new ATOM 0 HZ3 LYS A 16 28.238 4.840 4.055 1.00 5.13 H new ATOM 256 N THR A 17 26.076 0.151 2.517 1.00 0.65 N ATOM 257 CA THR A 17 27.003 -0.589 1.650 1.00 0.60 C ATOM 258 C THR A 17 26.473 -0.970 0.268 1.00 0.72 C ATOM 259 O THR A 17 25.705 -1.904 0.185 1.00 0.84 O ATOM 260 CB THR A 17 27.436 -1.871 2.389 1.00 0.49 C ATOM 261 OG1 THR A 17 28.499 -1.446 3.221 1.00 0.38 O ATOM 262 CG2 THR A 17 28.043 -2.879 1.446 1.00 0.47 C ATOM 0 H THR A 17 25.249 -0.387 2.775 1.00 0.65 H new ATOM 0 HA THR A 17 27.829 0.095 1.454 1.00 0.60 H new ATOM 0 HB THR A 17 26.583 -2.324 2.894 1.00 0.49 H new ATOM 0 HG1 THR A 17 28.837 -2.209 3.735 1.00 0.38 H new ATOM 0 HG21 THR A 17 28.336 -3.769 2.004 1.00 0.47 H new ATOM 0 HG22 THR A 17 27.312 -3.152 0.685 1.00 0.47 H new ATOM 0 HG23 THR A 17 28.921 -2.446 0.967 1.00 0.47 H new ATOM 270 N LYS A 18 26.856 -0.220 -0.747 1.00 0.73 N ATOM 271 CA LYS A 18 26.478 -0.459 -2.176 1.00 0.87 C ATOM 272 C LYS A 18 26.250 -1.963 -2.280 1.00 0.93 C ATOM 273 O LYS A 18 27.214 -2.706 -2.284 1.00 0.94 O ATOM 274 CB LYS A 18 27.670 0.016 -3.095 1.00 0.80 C ATOM 275 CG LYS A 18 29.013 -0.691 -2.800 1.00 1.14 C ATOM 276 CD LYS A 18 30.136 0.028 -3.611 1.00 1.46 C ATOM 277 CE LYS A 18 31.480 -0.177 -2.931 1.00 2.34 C ATOM 278 NZ LYS A 18 31.426 0.588 -1.641 1.00 4.02 N ATOM 0 H LYS A 18 27.453 0.598 -0.626 1.00 0.73 H new ATOM 0 HA LYS A 18 25.588 0.086 -2.491 1.00 0.87 H new ATOM 0 HB2 LYS A 18 27.402 -0.156 -4.137 1.00 0.80 H new ATOM 0 HB3 LYS A 18 27.803 1.091 -2.973 1.00 0.80 H new ATOM 0 HG2 LYS A 18 29.234 -0.656 -1.733 1.00 1.14 H new ATOM 0 HG3 LYS A 18 28.957 -1.743 -3.080 1.00 1.14 H new ATOM 0 HD2 LYS A 18 30.170 -0.364 -4.628 1.00 1.46 H new ATOM 0 HD3 LYS A 18 29.916 1.093 -3.687 1.00 1.46 H new ATOM 0 HE2 LYS A 18 31.664 -1.235 -2.747 1.00 2.34 H new ATOM 0 HE3 LYS A 18 32.293 0.183 -3.562 1.00 2.34 H new ATOM 0 HZ1 LYS A 18 32.372 0.957 -1.417 1.00 4.02 H new ATOM 0 HZ2 LYS A 18 30.758 1.380 -1.735 1.00 4.02 H new ATOM 0 HZ3 LYS A 18 31.110 -0.042 -0.876 1.00 4.02 H new ATOM 292 N PRO A 19 25.031 -2.415 -2.315 1.00 0.93 N ATOM 293 CA PRO A 19 24.839 -3.865 -2.417 1.00 0.92 C ATOM 294 C PRO A 19 25.617 -4.410 -3.616 1.00 1.00 C ATOM 295 O PRO A 19 26.028 -3.675 -4.494 1.00 1.12 O ATOM 296 CB PRO A 19 23.347 -3.963 -2.480 1.00 0.85 C ATOM 297 CG PRO A 19 22.915 -2.720 -1.615 1.00 0.89 C ATOM 298 CD PRO A 19 23.770 -1.643 -2.217 1.00 0.91 C ATOM 0 HA PRO A 19 25.224 -4.477 -1.601 1.00 0.92 H new ATOM 0 HB2 PRO A 19 22.974 -3.901 -3.502 1.00 0.85 H new ATOM 0 HB3 PRO A 19 22.979 -4.901 -2.063 1.00 0.85 H new ATOM 0 HG2 PRO A 19 21.851 -2.502 -1.708 1.00 0.89 H new ATOM 0 HG3 PRO A 19 23.119 -2.864 -0.554 1.00 0.89 H new ATOM 0 HD2 PRO A 19 23.404 -1.300 -3.185 1.00 0.91 H new ATOM 0 HD3 PRO A 19 23.858 -0.763 -1.580 1.00 0.91 H new ATOM 306 N ALA A 20 25.800 -5.694 -3.621 1.00 1.01 N ATOM 307 CA ALA A 20 26.546 -6.362 -4.731 1.00 1.06 C ATOM 308 C ALA A 20 26.026 -5.854 -6.094 1.00 0.97 C ATOM 309 O ALA A 20 24.834 -5.814 -6.336 1.00 0.92 O ATOM 310 CB ALA A 20 26.339 -7.875 -4.557 1.00 1.08 C ATOM 0 H ALA A 20 25.462 -6.325 -2.895 1.00 1.01 H new ATOM 0 HA ALA A 20 27.611 -6.133 -4.702 1.00 1.06 H new ATOM 0 HB1 ALA A 20 26.867 -8.408 -5.348 1.00 1.08 H new ATOM 0 HB2 ALA A 20 26.728 -8.186 -3.587 1.00 1.08 H new ATOM 0 HB3 ALA A 20 25.275 -8.105 -4.612 1.00 1.08 H new ATOM 316 N ASP A 21 26.907 -5.469 -6.964 1.00 0.96 N ATOM 317 CA ASP A 21 26.455 -4.967 -8.288 1.00 0.88 C ATOM 318 C ASP A 21 25.384 -5.898 -8.913 1.00 0.81 C ATOM 319 O ASP A 21 24.536 -5.439 -9.640 1.00 0.68 O ATOM 320 CB ASP A 21 27.769 -4.805 -9.054 1.00 1.02 C ATOM 321 CG ASP A 21 28.641 -3.871 -8.215 1.00 1.12 C ATOM 322 OD1 ASP A 21 28.356 -2.685 -8.304 1.00 1.65 O ATOM 323 OD2 ASP A 21 29.513 -4.401 -7.547 1.00 1.17 O ATOM 0 H ASP A 21 27.917 -5.479 -6.820 1.00 0.96 H new ATOM 0 HA ASP A 21 25.917 -4.019 -8.273 1.00 0.88 H new ATOM 0 HB2 ASP A 21 28.257 -5.769 -9.197 1.00 1.02 H new ATOM 0 HB3 ASP A 21 27.593 -4.387 -10.045 1.00 1.02 H new ATOM 328 N GLU A 22 25.405 -7.174 -8.641 1.00 0.92 N ATOM 329 CA GLU A 22 24.393 -8.111 -9.197 1.00 0.87 C ATOM 330 C GLU A 22 23.040 -7.841 -8.462 1.00 0.78 C ATOM 331 O GLU A 22 21.962 -7.853 -9.043 1.00 0.70 O ATOM 332 CB GLU A 22 24.953 -9.538 -8.980 1.00 1.06 C ATOM 333 CG GLU A 22 26.414 -9.581 -9.592 1.00 1.54 C ATOM 334 CD GLU A 22 27.522 -9.543 -8.523 1.00 3.20 C ATOM 335 OE1 GLU A 22 27.325 -8.872 -7.523 1.00 4.44 O ATOM 336 OE2 GLU A 22 28.515 -10.197 -8.786 1.00 3.43 O ATOM 0 H GLU A 22 26.101 -7.616 -8.040 1.00 0.92 H new ATOM 0 HA GLU A 22 24.202 -7.982 -10.262 1.00 0.87 H new ATOM 0 HB2 GLU A 22 24.976 -9.782 -7.918 1.00 1.06 H new ATOM 0 HB3 GLU A 22 24.314 -10.277 -9.463 1.00 1.06 H new ATOM 0 HG2 GLU A 22 26.524 -10.487 -10.188 1.00 1.54 H new ATOM 0 HG3 GLU A 22 26.542 -8.736 -10.269 1.00 1.54 H new ATOM 343 N GLU A 23 23.097 -7.585 -7.182 1.00 0.80 N ATOM 344 CA GLU A 23 21.815 -7.310 -6.490 1.00 0.67 C ATOM 345 C GLU A 23 21.393 -5.910 -6.984 1.00 0.56 C ATOM 346 O GLU A 23 20.204 -5.664 -7.088 1.00 0.49 O ATOM 347 CB GLU A 23 22.055 -7.390 -4.953 1.00 0.69 C ATOM 348 CG GLU A 23 22.205 -8.927 -4.613 1.00 0.60 C ATOM 349 CD GLU A 23 20.849 -9.669 -4.608 1.00 1.43 C ATOM 350 OE1 GLU A 23 20.237 -9.694 -5.655 1.00 2.90 O ATOM 351 OE2 GLU A 23 20.430 -10.190 -3.582 1.00 1.51 O ATOM 0 H GLU A 23 23.940 -7.556 -6.609 1.00 0.80 H new ATOM 0 HA GLU A 23 21.020 -8.025 -6.703 1.00 0.67 H new ATOM 0 HB2 GLU A 23 22.951 -6.839 -4.669 1.00 0.69 H new ATOM 0 HB3 GLU A 23 21.222 -6.949 -4.405 1.00 0.69 H new ATOM 0 HG2 GLU A 23 22.868 -9.394 -5.342 1.00 0.60 H new ATOM 0 HG3 GLU A 23 22.678 -9.035 -3.637 1.00 0.60 H new ATOM 358 N MET A 24 22.349 -5.051 -7.300 1.00 0.56 N ATOM 359 CA MET A 24 22.050 -3.684 -7.795 1.00 0.48 C ATOM 360 C MET A 24 21.324 -3.993 -9.115 1.00 0.29 C ATOM 361 O MET A 24 20.236 -3.524 -9.331 1.00 0.16 O ATOM 362 CB MET A 24 23.404 -2.989 -7.954 1.00 0.56 C ATOM 363 CG MET A 24 24.115 -2.816 -6.604 1.00 0.63 C ATOM 364 SD MET A 24 23.583 -1.394 -5.629 1.00 1.68 S ATOM 365 CE MET A 24 24.432 -0.118 -6.594 1.00 0.64 C ATOM 0 H MET A 24 23.345 -5.261 -7.228 1.00 0.56 H new ATOM 0 HA MET A 24 21.444 -3.025 -7.174 1.00 0.48 H new ATOM 0 HB2 MET A 24 24.035 -3.571 -8.626 1.00 0.56 H new ATOM 0 HB3 MET A 24 23.260 -2.013 -8.417 1.00 0.56 H new ATOM 0 HG2 MET A 24 23.962 -3.719 -6.013 1.00 0.63 H new ATOM 0 HG3 MET A 24 25.187 -2.731 -6.785 1.00 0.63 H new ATOM 0 HE1 MET A 24 25.187 0.365 -5.974 1.00 0.64 H new ATOM 0 HE2 MET A 24 24.912 -0.575 -7.459 1.00 0.64 H new ATOM 0 HE3 MET A 24 23.709 0.625 -6.931 1.00 0.64 H new ATOM 375 N LEU A 25 21.973 -4.747 -9.962 1.00 0.34 N ATOM 376 CA LEU A 25 21.455 -5.198 -11.284 1.00 0.31 C ATOM 377 C LEU A 25 19.948 -5.455 -11.202 1.00 0.32 C ATOM 378 O LEU A 25 19.153 -4.792 -11.853 1.00 0.33 O ATOM 379 CB LEU A 25 22.258 -6.456 -11.613 1.00 0.42 C ATOM 380 CG LEU A 25 23.323 -6.148 -12.590 1.00 0.29 C ATOM 381 CD1 LEU A 25 24.562 -6.986 -12.513 1.00 0.51 C ATOM 382 CD2 LEU A 25 22.731 -6.287 -13.999 1.00 0.51 C ATOM 0 H LEU A 25 22.914 -5.092 -9.770 1.00 0.34 H new ATOM 0 HA LEU A 25 21.575 -4.452 -12.070 1.00 0.31 H new ATOM 0 HB2 LEU A 25 22.698 -6.863 -10.702 1.00 0.42 H new ATOM 0 HB3 LEU A 25 21.596 -7.222 -12.017 1.00 0.42 H new ATOM 0 HG LEU A 25 23.652 -5.137 -12.348 1.00 0.29 H new ATOM 0 HD11 LEU A 25 25.267 -6.664 -13.279 1.00 0.51 H new ATOM 0 HD12 LEU A 25 25.018 -6.872 -11.530 1.00 0.51 H new ATOM 0 HD13 LEU A 25 24.304 -8.033 -12.674 1.00 0.51 H new ATOM 0 HD21 LEU A 25 23.499 -6.064 -14.740 1.00 0.51 H new ATOM 0 HD22 LEU A 25 22.372 -7.306 -14.144 1.00 0.51 H new ATOM 0 HD23 LEU A 25 21.901 -5.590 -14.115 1.00 0.51 H new ATOM 394 N PHE A 26 19.617 -6.427 -10.383 1.00 0.38 N ATOM 395 CA PHE A 26 18.171 -6.744 -10.234 1.00 0.38 C ATOM 396 C PHE A 26 17.413 -5.507 -9.751 1.00 0.33 C ATOM 397 O PHE A 26 16.405 -5.121 -10.310 1.00 0.32 O ATOM 398 CB PHE A 26 17.963 -7.877 -9.208 1.00 0.36 C ATOM 399 CG PHE A 26 16.440 -8.155 -9.152 1.00 0.33 C ATOM 400 CD1 PHE A 26 15.551 -7.238 -8.581 1.00 0.98 C ATOM 401 CD2 PHE A 26 15.928 -9.324 -9.694 1.00 1.24 C ATOM 402 CE1 PHE A 26 14.195 -7.506 -8.574 1.00 0.93 C ATOM 403 CE2 PHE A 26 14.571 -9.579 -9.676 1.00 1.27 C ATOM 404 CZ PHE A 26 13.710 -8.668 -9.116 1.00 0.34 C ATOM 0 H PHE A 26 20.263 -6.993 -9.832 1.00 0.38 H new ATOM 0 HA PHE A 26 17.794 -7.061 -11.206 1.00 0.38 H new ATOM 0 HB2 PHE A 26 18.509 -8.773 -9.505 1.00 0.36 H new ATOM 0 HB3 PHE A 26 18.339 -7.585 -8.228 1.00 0.36 H new ATOM 0 HD1 PHE A 26 15.924 -6.322 -8.146 1.00 0.98 H new ATOM 0 HD2 PHE A 26 16.600 -10.045 -10.136 1.00 1.24 H new ATOM 0 HE1 PHE A 26 13.511 -6.793 -8.137 1.00 0.93 H new ATOM 0 HE2 PHE A 26 14.187 -10.494 -10.102 1.00 1.27 H new ATOM 0 HZ PHE A 26 12.649 -8.867 -9.102 1.00 0.34 H new ATOM 414 N ILE A 27 17.881 -4.898 -8.703 1.00 0.31 N ATOM 415 CA ILE A 27 17.170 -3.691 -8.200 1.00 0.20 C ATOM 416 C ILE A 27 16.923 -2.655 -9.316 1.00 0.15 C ATOM 417 O ILE A 27 15.780 -2.295 -9.539 1.00 0.14 O ATOM 418 CB ILE A 27 18.035 -3.210 -7.063 1.00 0.28 C ATOM 419 CG1 ILE A 27 18.018 -4.363 -5.977 1.00 0.36 C ATOM 420 CG2 ILE A 27 17.384 -1.934 -6.551 1.00 0.29 C ATOM 421 CD1 ILE A 27 16.925 -4.163 -4.974 1.00 0.28 C ATOM 0 H ILE A 27 18.711 -5.175 -8.179 1.00 0.31 H new ATOM 0 HA ILE A 27 16.158 -3.895 -7.851 1.00 0.20 H new ATOM 0 HB ILE A 27 19.069 -2.997 -7.336 1.00 0.28 H new ATOM 0 HG12 ILE A 27 17.887 -5.326 -6.471 1.00 0.36 H new ATOM 0 HG13 ILE A 27 18.980 -4.395 -5.465 1.00 0.36 H new ATOM 0 HG21 ILE A 27 17.968 -1.535 -5.722 1.00 0.29 H new ATOM 0 HG22 ILE A 27 17.345 -1.198 -7.354 1.00 0.29 H new ATOM 0 HG23 ILE A 27 16.372 -2.153 -6.210 1.00 0.29 H new ATOM 0 HD11 ILE A 27 16.946 -4.974 -4.246 1.00 0.28 H new ATOM 0 HD12 ILE A 27 17.071 -3.212 -4.462 1.00 0.28 H new ATOM 0 HD13 ILE A 27 15.961 -4.157 -5.483 1.00 0.28 H new ATOM 433 N TYR A 28 17.965 -2.184 -9.966 1.00 0.19 N ATOM 434 CA TYR A 28 17.738 -1.190 -11.072 1.00 0.25 C ATOM 435 C TYR A 28 16.572 -1.541 -12.007 1.00 0.22 C ATOM 436 O TYR A 28 15.634 -0.778 -12.073 1.00 0.20 O ATOM 437 CB TYR A 28 18.956 -1.102 -11.888 1.00 0.37 C ATOM 438 CG TYR A 28 18.809 -0.059 -13.010 1.00 0.45 C ATOM 439 CD1 TYR A 28 18.999 1.290 -12.799 1.00 0.39 C ATOM 440 CD2 TYR A 28 18.493 -0.470 -14.271 1.00 0.91 C ATOM 441 CE1 TYR A 28 18.876 2.187 -13.828 1.00 0.45 C ATOM 442 CE2 TYR A 28 18.371 0.434 -15.305 1.00 1.04 C ATOM 443 CZ TYR A 28 18.562 1.767 -15.090 1.00 0.71 C ATOM 444 OH TYR A 28 18.436 2.691 -16.096 1.00 0.84 O ATOM 0 H TYR A 28 18.937 -2.435 -9.787 1.00 0.19 H new ATOM 0 HA TYR A 28 17.487 -0.248 -10.584 1.00 0.25 H new ATOM 0 HB2 TYR A 28 19.802 -0.838 -11.253 1.00 0.37 H new ATOM 0 HB3 TYR A 28 19.175 -2.077 -12.323 1.00 0.37 H new ATOM 0 HD1 TYR A 28 19.248 1.645 -11.810 1.00 0.39 H new ATOM 0 HD2 TYR A 28 18.336 -1.521 -14.463 1.00 0.91 H new ATOM 0 HE1 TYR A 28 19.029 3.239 -13.639 1.00 0.45 H new ATOM 0 HE2 TYR A 28 18.122 0.083 -16.295 1.00 1.04 H new ATOM 0 HH TYR A 28 17.553 2.604 -16.511 1.00 0.84 H new ATOM 454 N SER A 29 16.659 -2.656 -12.690 1.00 0.24 N ATOM 455 CA SER A 29 15.551 -3.061 -13.624 1.00 0.29 C ATOM 456 C SER A 29 14.164 -2.736 -13.072 1.00 0.23 C ATOM 457 O SER A 29 13.429 -1.924 -13.604 1.00 0.20 O ATOM 458 CB SER A 29 15.693 -4.569 -13.909 1.00 0.42 C ATOM 459 OG SER A 29 15.599 -5.224 -12.651 1.00 0.69 O ATOM 0 H SER A 29 17.445 -3.305 -12.645 1.00 0.24 H new ATOM 0 HA SER A 29 15.643 -2.487 -14.546 1.00 0.29 H new ATOM 0 HB2 SER A 29 14.910 -4.912 -14.585 1.00 0.42 H new ATOM 0 HB3 SER A 29 16.647 -4.786 -14.390 1.00 0.42 H new ATOM 0 HG SER A 29 16.381 -4.999 -12.106 1.00 0.69 H new ATOM 465 N HIS A 30 13.852 -3.392 -12.006 1.00 0.23 N ATOM 466 CA HIS A 30 12.558 -3.213 -11.318 1.00 0.22 C ATOM 467 C HIS A 30 12.347 -1.727 -10.932 1.00 0.17 C ATOM 468 O HIS A 30 11.324 -1.161 -11.270 1.00 0.19 O ATOM 469 CB HIS A 30 12.692 -4.214 -10.203 1.00 0.19 C ATOM 470 CG HIS A 30 12.543 -5.582 -10.854 1.00 0.18 C ATOM 471 ND1 HIS A 30 11.399 -6.066 -11.178 1.00 0.93 N ATOM 472 CD2 HIS A 30 13.444 -6.547 -11.252 1.00 0.77 C ATOM 473 CE1 HIS A 30 11.545 -7.227 -11.733 1.00 0.68 C ATOM 474 NE2 HIS A 30 12.807 -7.564 -11.799 1.00 0.41 N ATOM 0 H HIS A 30 14.467 -4.075 -11.564 1.00 0.23 H new ATOM 0 HA HIS A 30 11.651 -3.401 -11.892 1.00 0.22 H new ATOM 0 HB2 HIS A 30 13.658 -4.120 -9.707 1.00 0.19 H new ATOM 0 HB3 HIS A 30 11.927 -4.057 -9.443 1.00 0.19 H new ATOM 0 HD2 HIS A 30 14.515 -6.480 -11.133 1.00 0.77 H new ATOM 0 HE1 HIS A 30 10.731 -7.837 -12.094 1.00 0.68 H new ATOM 0 HE2 HIS A 30 13.207 -8.419 -12.186 1.00 0.41 H new ATOM 482 N TYR A 31 13.291 -1.128 -10.249 1.00 0.14 N ATOM 483 CA TYR A 31 13.202 0.309 -9.835 1.00 0.21 C ATOM 484 C TYR A 31 12.790 1.225 -11.014 1.00 0.18 C ATOM 485 O TYR A 31 11.821 1.954 -11.006 1.00 0.23 O ATOM 486 CB TYR A 31 14.571 0.770 -9.336 1.00 0.31 C ATOM 487 CG TYR A 31 14.482 2.231 -8.891 1.00 0.31 C ATOM 488 CD1 TYR A 31 13.606 2.671 -7.924 1.00 1.06 C ATOM 489 CD2 TYR A 31 15.292 3.131 -9.518 1.00 1.57 C ATOM 490 CE1 TYR A 31 13.543 4.011 -7.603 1.00 1.09 C ATOM 491 CE2 TYR A 31 15.237 4.478 -9.203 1.00 1.54 C ATOM 492 CZ TYR A 31 14.357 4.916 -8.241 1.00 0.28 C ATOM 493 OH TYR A 31 14.291 6.252 -7.926 1.00 0.24 O ATOM 0 H TYR A 31 14.149 -1.592 -9.951 1.00 0.14 H new ATOM 0 HA TYR A 31 12.445 0.382 -9.054 1.00 0.21 H new ATOM 0 HB2 TYR A 31 14.898 0.144 -8.505 1.00 0.31 H new ATOM 0 HB3 TYR A 31 15.314 0.663 -10.127 1.00 0.31 H new ATOM 0 HD1 TYR A 31 12.966 1.965 -7.415 1.00 1.06 H new ATOM 0 HD2 TYR A 31 15.986 2.788 -10.271 1.00 1.57 H new ATOM 0 HE1 TYR A 31 12.851 4.351 -6.847 1.00 1.09 H new ATOM 0 HE2 TYR A 31 15.882 5.181 -9.710 1.00 1.54 H new ATOM 0 HH TYR A 31 14.936 6.749 -8.471 1.00 0.24 H new ATOM 503 N LYS A 32 13.607 1.128 -12.018 1.00 0.17 N ATOM 504 CA LYS A 32 13.438 1.907 -13.263 1.00 0.18 C ATOM 505 C LYS A 32 12.088 1.571 -13.904 1.00 0.16 C ATOM 506 O LYS A 32 11.355 2.502 -14.140 1.00 0.18 O ATOM 507 CB LYS A 32 14.662 1.547 -14.046 1.00 0.17 C ATOM 508 CG LYS A 32 15.917 1.963 -13.239 1.00 0.15 C ATOM 509 CD LYS A 32 16.153 3.499 -12.970 1.00 0.13 C ATOM 510 CE LYS A 32 16.371 4.287 -14.261 1.00 0.35 C ATOM 511 NZ LYS A 32 17.356 5.407 -14.017 1.00 0.38 N ATOM 0 H LYS A 32 14.420 0.512 -12.023 1.00 0.17 H new ATOM 0 HA LYS A 32 13.382 2.990 -13.154 1.00 0.18 H new ATOM 0 HB2 LYS A 32 14.680 0.475 -14.245 1.00 0.17 H new ATOM 0 HB3 LYS A 32 14.652 2.050 -15.013 1.00 0.17 H new ATOM 0 HG2 LYS A 32 15.875 1.458 -12.274 1.00 0.15 H new ATOM 0 HG3 LYS A 32 16.792 1.578 -13.762 1.00 0.15 H new ATOM 0 HD2 LYS A 32 15.295 3.908 -12.438 1.00 0.13 H new ATOM 0 HD3 LYS A 32 17.020 3.623 -12.321 1.00 0.13 H new ATOM 0 HE2 LYS A 32 16.745 3.626 -15.043 1.00 0.35 H new ATOM 0 HE3 LYS A 32 15.423 4.694 -14.614 1.00 0.35 H new ATOM 0 HZ1 LYS A 32 17.207 6.159 -14.719 1.00 0.38 H new ATOM 0 HZ2 LYS A 32 17.214 5.792 -13.062 1.00 0.38 H new ATOM 0 HZ3 LYS A 32 18.326 5.041 -14.102 1.00 0.38 H new ATOM 525 N GLN A 33 11.740 0.345 -14.213 1.00 0.21 N ATOM 526 CA GLN A 33 10.360 0.173 -14.807 1.00 0.27 C ATOM 527 C GLN A 33 9.298 0.760 -13.850 1.00 0.24 C ATOM 528 O GLN A 33 8.477 1.539 -14.289 1.00 0.33 O ATOM 529 CB GLN A 33 10.054 -1.319 -15.087 1.00 0.37 C ATOM 530 CG GLN A 33 9.511 -1.562 -16.570 1.00 0.90 C ATOM 531 CD GLN A 33 8.073 -0.980 -16.740 1.00 1.24 C ATOM 532 OE1 GLN A 33 7.301 -0.953 -15.809 1.00 1.73 O ATOM 533 NE2 GLN A 33 7.599 -0.507 -17.847 1.00 1.84 N ATOM 0 H GLN A 33 12.302 -0.498 -14.094 1.00 0.21 H new ATOM 0 HA GLN A 33 10.328 0.709 -15.755 1.00 0.27 H new ATOM 0 HB2 GLN A 33 10.958 -1.908 -14.933 1.00 0.37 H new ATOM 0 HB3 GLN A 33 9.315 -1.676 -14.370 1.00 0.37 H new ATOM 0 HG2 GLN A 33 10.184 -1.095 -17.289 1.00 0.90 H new ATOM 0 HG3 GLN A 33 9.503 -2.630 -16.788 1.00 0.90 H new ATOM 0 HE21 GLN A 33 8.180 -0.490 -18.685 1.00 1.84 H new ATOM 0 HE22 GLN A 33 6.644 -0.151 -17.882 1.00 1.84 H new ATOM 542 N ALA A 34 9.338 0.399 -12.586 1.00 0.19 N ATOM 543 CA ALA A 34 8.338 0.927 -11.603 1.00 0.21 C ATOM 544 C ALA A 34 8.246 2.460 -11.589 1.00 0.20 C ATOM 545 O ALA A 34 7.161 2.990 -11.544 1.00 0.27 O ATOM 546 CB ALA A 34 8.727 0.439 -10.248 1.00 0.18 C ATOM 0 H ALA A 34 10.026 -0.243 -12.193 1.00 0.19 H new ATOM 0 HA ALA A 34 7.353 0.566 -11.899 1.00 0.21 H new ATOM 0 HB1 ALA A 34 8.015 0.809 -9.510 1.00 0.18 H new ATOM 0 HB2 ALA A 34 8.725 -0.651 -10.240 1.00 0.18 H new ATOM 0 HB3 ALA A 34 9.725 0.802 -10.003 1.00 0.18 H new ATOM 552 N THR A 35 9.359 3.143 -11.615 1.00 0.17 N ATOM 553 CA THR A 35 9.355 4.660 -11.609 1.00 0.18 C ATOM 554 C THR A 35 9.287 5.211 -13.038 1.00 0.16 C ATOM 555 O THR A 35 8.443 6.035 -13.332 1.00 0.17 O ATOM 556 CB THR A 35 10.643 5.182 -10.934 1.00 0.22 C ATOM 557 OG1 THR A 35 11.679 4.645 -11.730 1.00 0.32 O ATOM 558 CG2 THR A 35 10.843 4.513 -9.612 1.00 0.19 C ATOM 0 H THR A 35 10.288 2.722 -11.641 1.00 0.17 H new ATOM 0 HA THR A 35 8.478 4.995 -11.056 1.00 0.18 H new ATOM 0 HB THR A 35 10.612 6.266 -10.826 1.00 0.22 H new ATOM 0 HG1 THR A 35 11.885 3.736 -11.428 1.00 0.32 H new ATOM 0 HG21 THR A 35 11.754 4.890 -9.147 1.00 0.19 H new ATOM 0 HG22 THR A 35 9.992 4.724 -8.965 1.00 0.19 H new ATOM 0 HG23 THR A 35 10.929 3.436 -9.758 1.00 0.19 H new ATOM 566 N VAL A 36 10.139 4.756 -13.912 1.00 0.15 N ATOM 567 CA VAL A 36 10.146 5.236 -15.331 1.00 0.17 C ATOM 568 C VAL A 36 9.045 4.548 -16.164 1.00 0.22 C ATOM 569 O VAL A 36 8.009 5.121 -16.459 1.00 0.30 O ATOM 570 CB VAL A 36 11.550 4.931 -16.015 1.00 0.22 C ATOM 571 CG1 VAL A 36 11.615 5.676 -17.370 1.00 0.26 C ATOM 572 CG2 VAL A 36 12.750 5.273 -15.161 1.00 0.22 C ATOM 0 H VAL A 36 10.849 4.055 -13.702 1.00 0.15 H new ATOM 0 HA VAL A 36 9.962 6.310 -15.306 1.00 0.17 H new ATOM 0 HB VAL A 36 11.606 3.852 -16.158 1.00 0.22 H new ATOM 0 HG11 VAL A 36 12.573 5.475 -17.850 1.00 0.26 H new ATOM 0 HG12 VAL A 36 10.807 5.330 -18.014 1.00 0.26 H new ATOM 0 HG13 VAL A 36 11.511 6.748 -17.201 1.00 0.26 H new ATOM 0 HG21 VAL A 36 13.664 5.033 -15.705 1.00 0.22 H new ATOM 0 HG22 VAL A 36 12.737 6.337 -14.925 1.00 0.22 H new ATOM 0 HG23 VAL A 36 12.715 4.696 -14.237 1.00 0.22 H new ATOM 582 N GLY A 37 9.341 3.314 -16.444 1.00 0.23 N ATOM 583 CA GLY A 37 8.507 2.360 -17.258 1.00 0.28 C ATOM 584 C GLY A 37 9.440 1.818 -18.367 1.00 0.32 C ATOM 585 O GLY A 37 10.257 0.953 -18.100 1.00 0.34 O ATOM 0 H GLY A 37 10.205 2.885 -16.114 1.00 0.23 H new ATOM 0 HA2 GLY A 37 8.125 1.549 -16.638 1.00 0.28 H new ATOM 0 HA3 GLY A 37 7.643 2.866 -17.688 1.00 0.28 H new ATOM 589 N ASP A 38 9.307 2.341 -19.559 1.00 0.39 N ATOM 590 CA ASP A 38 10.165 1.893 -20.694 1.00 0.47 C ATOM 591 C ASP A 38 11.552 2.533 -20.586 1.00 0.47 C ATOM 592 O ASP A 38 11.769 3.476 -19.848 1.00 0.52 O ATOM 593 CB ASP A 38 9.497 2.307 -22.021 1.00 0.45 C ATOM 594 CG ASP A 38 8.391 1.335 -22.381 1.00 0.53 C ATOM 595 OD1 ASP A 38 7.395 1.322 -21.687 1.00 1.12 O ATOM 596 OD2 ASP A 38 8.635 0.652 -23.358 1.00 1.30 O ATOM 0 H ASP A 38 8.632 3.068 -19.796 1.00 0.39 H new ATOM 0 HA ASP A 38 10.278 0.809 -20.662 1.00 0.47 H new ATOM 0 HB2 ASP A 38 9.090 3.314 -21.932 1.00 0.45 H new ATOM 0 HB3 ASP A 38 10.241 2.333 -22.817 1.00 0.45 H new ATOM 601 N ILE A 39 12.450 2.005 -21.362 1.00 0.56 N ATOM 602 CA ILE A 39 13.851 2.512 -21.362 1.00 0.57 C ATOM 603 C ILE A 39 14.166 3.320 -22.642 1.00 0.61 C ATOM 604 O ILE A 39 14.005 2.881 -23.764 1.00 0.65 O ATOM 605 CB ILE A 39 14.702 1.226 -21.155 1.00 0.61 C ATOM 606 CG1 ILE A 39 16.204 1.524 -21.082 1.00 0.68 C ATOM 607 CG2 ILE A 39 14.423 0.223 -22.265 1.00 0.73 C ATOM 608 CD1 ILE A 39 16.921 0.256 -20.578 1.00 0.73 C ATOM 0 H ILE A 39 12.274 1.234 -22.006 1.00 0.56 H new ATOM 0 HA ILE A 39 14.065 3.239 -20.578 1.00 0.57 H new ATOM 0 HB ILE A 39 14.408 0.800 -20.196 1.00 0.61 H new ATOM 0 HG12 ILE A 39 16.583 1.811 -22.063 1.00 0.68 H new ATOM 0 HG13 ILE A 39 16.394 2.361 -20.410 1.00 0.68 H new ATOM 0 HG21 ILE A 39 15.025 -0.672 -22.107 1.00 0.73 H new ATOM 0 HG22 ILE A 39 13.366 -0.045 -22.256 1.00 0.73 H new ATOM 0 HG23 ILE A 39 14.677 0.666 -23.228 1.00 0.73 H new ATOM 0 HD11 ILE A 39 17.993 0.444 -20.518 1.00 0.73 H new ATOM 0 HD12 ILE A 39 16.543 -0.008 -19.590 1.00 0.73 H new ATOM 0 HD13 ILE A 39 16.735 -0.566 -21.269 1.00 0.73 H new ATOM 620 N ASN A 40 14.610 4.521 -22.391 1.00 0.61 N ATOM 621 CA ASN A 40 14.984 5.512 -23.465 1.00 0.72 C ATOM 622 C ASN A 40 16.376 6.098 -23.134 1.00 0.76 C ATOM 623 O ASN A 40 16.724 7.232 -23.397 1.00 0.85 O ATOM 624 CB ASN A 40 13.848 6.555 -23.452 1.00 0.76 C ATOM 625 CG ASN A 40 13.652 7.024 -22.011 1.00 0.63 C ATOM 626 OD1 ASN A 40 14.289 7.925 -21.525 1.00 0.61 O ATOM 627 ND2 ASN A 40 12.785 6.443 -21.252 1.00 0.74 N ATOM 0 H ASN A 40 14.737 4.879 -21.445 1.00 0.61 H new ATOM 0 HA ASN A 40 15.074 5.086 -24.464 1.00 0.72 H new ATOM 0 HB2 ASN A 40 14.098 7.398 -24.096 1.00 0.76 H new ATOM 0 HB3 ASN A 40 12.927 6.120 -23.839 1.00 0.76 H new ATOM 0 HD21 ASN A 40 12.664 6.752 -20.287 1.00 0.74 H new ATOM 0 HD22 ASN A 40 12.221 5.675 -21.617 1.00 0.74 H new ATOM 634 N THR A 41 17.131 5.215 -22.556 1.00 0.72 N ATOM 635 CA THR A 41 18.533 5.476 -22.098 1.00 0.76 C ATOM 636 C THR A 41 19.542 4.683 -22.938 1.00 0.81 C ATOM 637 O THR A 41 19.168 3.941 -23.826 1.00 0.81 O ATOM 638 CB THR A 41 18.615 5.047 -20.632 1.00 0.83 C ATOM 639 OG1 THR A 41 18.229 3.689 -20.763 1.00 0.98 O ATOM 640 CG2 THR A 41 17.437 5.526 -19.782 1.00 0.64 C ATOM 0 H THR A 41 16.818 4.262 -22.369 1.00 0.72 H new ATOM 0 HA THR A 41 18.777 6.532 -22.212 1.00 0.76 H new ATOM 0 HB THR A 41 19.566 5.363 -20.203 1.00 0.83 H new ATOM 0 HG1 THR A 41 18.990 3.110 -20.549 1.00 0.98 H new ATOM 0 HG21 THR A 41 17.566 5.183 -18.755 1.00 0.64 H new ATOM 0 HG22 THR A 41 17.396 6.615 -19.798 1.00 0.64 H new ATOM 0 HG23 THR A 41 16.509 5.122 -20.186 1.00 0.64 H new ATOM 798 N GLY A 51 27.618 0.193 -15.885 1.00 0.86 N ATOM 799 CA GLY A 51 27.056 0.953 -16.976 1.00 1.07 C ATOM 800 C GLY A 51 25.949 0.171 -17.729 1.00 0.73 C ATOM 801 O GLY A 51 24.874 0.727 -17.839 1.00 0.79 O ATOM 0 HA2 GLY A 51 26.642 1.885 -16.591 1.00 1.07 H new ATOM 0 HA3 GLY A 51 27.848 1.221 -17.675 1.00 1.07 H new ATOM 805 N LYS A 52 26.193 -1.025 -18.212 1.00 0.59 N ATOM 806 CA LYS A 52 25.145 -1.803 -18.936 1.00 0.38 C ATOM 807 C LYS A 52 24.190 -2.509 -17.966 1.00 0.26 C ATOM 808 O LYS A 52 23.004 -2.370 -18.163 1.00 0.20 O ATOM 809 CB LYS A 52 25.839 -2.850 -19.817 1.00 0.69 C ATOM 810 CG LYS A 52 26.815 -2.168 -20.795 1.00 0.51 C ATOM 811 CD LYS A 52 28.132 -2.964 -20.672 1.00 1.33 C ATOM 812 CE LYS A 52 29.265 -2.323 -21.454 1.00 0.77 C ATOM 813 NZ LYS A 52 30.477 -3.184 -21.308 1.00 1.72 N ATOM 0 H LYS A 52 27.092 -1.500 -18.132 1.00 0.59 H new ATOM 0 HA LYS A 52 24.555 -1.113 -19.539 1.00 0.38 H new ATOM 0 HB2 LYS A 52 26.379 -3.561 -19.191 1.00 0.69 H new ATOM 0 HB3 LYS A 52 25.094 -3.418 -20.374 1.00 0.69 H new ATOM 0 HG2 LYS A 52 26.433 -2.194 -21.815 1.00 0.51 H new ATOM 0 HG3 LYS A 52 26.963 -1.119 -20.537 1.00 0.51 H new ATOM 0 HD2 LYS A 52 28.414 -3.037 -19.622 1.00 1.33 H new ATOM 0 HD3 LYS A 52 27.975 -3.981 -21.031 1.00 1.33 H new ATOM 0 HE2 LYS A 52 28.993 -2.224 -22.505 1.00 0.77 H new ATOM 0 HE3 LYS A 52 29.465 -1.319 -21.080 1.00 0.77 H new ATOM 0 HZ1 LYS A 52 31.268 -2.763 -21.837 1.00 1.72 H new ATOM 0 HZ2 LYS A 52 30.733 -3.256 -20.302 1.00 1.72 H new ATOM 0 HZ3 LYS A 52 30.276 -4.133 -21.683 1.00 1.72 H new ATOM 827 N ALA A 53 24.720 -3.228 -16.993 1.00 0.31 N ATOM 828 CA ALA A 53 23.929 -3.977 -15.966 1.00 0.41 C ATOM 829 C ALA A 53 22.533 -3.423 -15.844 1.00 0.32 C ATOM 830 O ALA A 53 21.566 -4.072 -16.173 1.00 0.34 O ATOM 831 CB ALA A 53 24.745 -3.881 -14.676 1.00 0.47 C ATOM 0 H ALA A 53 25.728 -3.326 -16.870 1.00 0.31 H new ATOM 0 HA ALA A 53 23.777 -5.023 -16.234 1.00 0.41 H new ATOM 0 HB1 ALA A 53 24.225 -4.409 -13.877 1.00 0.47 H new ATOM 0 HB2 ALA A 53 25.725 -4.332 -14.831 1.00 0.47 H new ATOM 0 HB3 ALA A 53 24.867 -2.834 -14.400 1.00 0.47 H new ATOM 837 N LYS A 54 22.509 -2.226 -15.353 1.00 0.26 N ATOM 838 CA LYS A 54 21.235 -1.489 -15.179 1.00 0.27 C ATOM 839 C LYS A 54 20.368 -1.510 -16.438 1.00 0.18 C ATOM 840 O LYS A 54 19.261 -2.009 -16.422 1.00 0.21 O ATOM 841 CB LYS A 54 21.552 -0.059 -14.842 1.00 0.44 C ATOM 842 CG LYS A 54 22.866 0.378 -15.494 1.00 0.82 C ATOM 843 CD LYS A 54 23.514 1.290 -14.526 1.00 1.01 C ATOM 844 CE LYS A 54 24.215 2.412 -15.312 1.00 1.98 C ATOM 845 NZ LYS A 54 23.413 2.844 -16.501 1.00 2.60 N ATOM 0 H LYS A 54 23.339 -1.713 -15.057 1.00 0.26 H new ATOM 0 HA LYS A 54 20.675 -1.979 -14.382 1.00 0.27 H new ATOM 0 HB2 LYS A 54 20.741 0.587 -15.180 1.00 0.44 H new ATOM 0 HB3 LYS A 54 21.622 0.057 -13.760 1.00 0.44 H new ATOM 0 HG2 LYS A 54 23.502 -0.482 -15.707 1.00 0.82 H new ATOM 0 HG3 LYS A 54 22.683 0.882 -16.443 1.00 0.82 H new ATOM 0 HD2 LYS A 54 22.773 1.709 -13.845 1.00 1.01 H new ATOM 0 HD3 LYS A 54 24.235 0.746 -13.916 1.00 1.01 H new ATOM 0 HE2 LYS A 54 24.381 3.266 -14.656 1.00 1.98 H new ATOM 0 HE3 LYS A 54 25.195 2.067 -15.641 1.00 1.98 H new ATOM 0 HZ1 LYS A 54 23.624 3.839 -16.719 1.00 2.60 H new ATOM 0 HZ2 LYS A 54 23.658 2.251 -17.319 1.00 2.60 H new ATOM 0 HZ3 LYS A 54 22.399 2.743 -16.291 1.00 2.60 H new ATOM 859 N TRP A 55 20.911 -0.988 -17.506 1.00 0.26 N ATOM 860 CA TRP A 55 20.194 -0.917 -18.800 1.00 0.43 C ATOM 861 C TRP A 55 19.642 -2.294 -19.145 1.00 0.47 C ATOM 862 O TRP A 55 18.455 -2.508 -19.265 1.00 0.50 O ATOM 863 CB TRP A 55 21.220 -0.416 -19.811 1.00 0.53 C ATOM 864 CG TRP A 55 20.511 0.368 -20.900 1.00 0.64 C ATOM 865 CD1 TRP A 55 20.146 1.661 -20.747 1.00 0.68 C ATOM 866 CD2 TRP A 55 20.156 -0.064 -22.126 1.00 0.72 C ATOM 867 NE1 TRP A 55 19.584 1.937 -21.906 1.00 0.77 N ATOM 868 CE2 TRP A 55 19.546 0.968 -22.798 1.00 0.80 C ATOM 869 CE3 TRP A 55 20.307 -1.289 -22.743 1.00 0.75 C ATOM 870 CZ2 TRP A 55 19.096 0.801 -24.078 1.00 0.89 C ATOM 871 CZ3 TRP A 55 19.853 -1.467 -24.034 1.00 0.85 C ATOM 872 CH2 TRP A 55 19.249 -0.415 -24.703 1.00 0.91 C ATOM 0 H TRP A 55 21.853 -0.597 -17.528 1.00 0.26 H new ATOM 0 HA TRP A 55 19.337 -0.244 -18.783 1.00 0.43 H new ATOM 0 HB2 TRP A 55 21.958 0.214 -19.315 1.00 0.53 H new ATOM 0 HB3 TRP A 55 21.760 -1.257 -20.246 1.00 0.53 H new ATOM 0 HD1 TRP A 55 20.281 2.305 -19.891 1.00 0.68 H new ATOM 0 HE1 TRP A 55 19.196 2.859 -22.104 1.00 0.77 H new ATOM 0 HE3 TRP A 55 20.779 -2.106 -22.217 1.00 0.75 H new ATOM 0 HZ2 TRP A 55 18.622 1.621 -24.597 1.00 0.89 H new ATOM 0 HZ3 TRP A 55 19.968 -2.424 -24.521 1.00 0.85 H new ATOM 0 HH2 TRP A 55 18.898 -0.549 -25.716 1.00 0.91 H new ATOM 883 N ASP A 56 20.580 -3.180 -19.272 1.00 0.52 N ATOM 884 CA ASP A 56 20.330 -4.596 -19.606 1.00 0.66 C ATOM 885 C ASP A 56 19.180 -5.139 -18.740 1.00 0.65 C ATOM 886 O ASP A 56 18.130 -5.500 -19.239 1.00 0.73 O ATOM 887 CB ASP A 56 21.741 -5.241 -19.383 1.00 0.74 C ATOM 888 CG ASP A 56 22.367 -5.605 -20.704 1.00 0.99 C ATOM 889 OD1 ASP A 56 21.778 -6.325 -21.483 1.00 2.06 O ATOM 890 OD2 ASP A 56 23.460 -5.128 -20.909 1.00 1.19 O ATOM 0 H ASP A 56 21.569 -2.961 -19.149 1.00 0.52 H new ATOM 0 HA ASP A 56 19.980 -4.807 -20.617 1.00 0.66 H new ATOM 0 HB2 ASP A 56 22.386 -4.544 -18.848 1.00 0.74 H new ATOM 0 HB3 ASP A 56 21.647 -6.131 -18.761 1.00 0.74 H new ATOM 895 N ALA A 57 19.441 -5.158 -17.465 1.00 0.57 N ATOM 896 CA ALA A 57 18.465 -5.639 -16.461 1.00 0.63 C ATOM 897 C ALA A 57 17.070 -4.995 -16.675 1.00 0.53 C ATOM 898 O ALA A 57 16.054 -5.650 -16.749 1.00 0.54 O ATOM 899 CB ALA A 57 19.086 -5.296 -15.078 1.00 0.62 C ATOM 0 H ALA A 57 20.327 -4.847 -17.067 1.00 0.57 H new ATOM 0 HA ALA A 57 18.287 -6.711 -16.543 1.00 0.63 H new ATOM 0 HB1 ALA A 57 18.414 -5.625 -14.286 1.00 0.62 H new ATOM 0 HB2 ALA A 57 20.045 -5.803 -14.974 1.00 0.62 H new ATOM 0 HB3 ALA A 57 19.235 -4.219 -15.003 1.00 0.62 H new ATOM 905 N TRP A 58 17.052 -3.693 -16.771 1.00 0.46 N ATOM 906 CA TRP A 58 15.752 -2.954 -16.972 1.00 0.40 C ATOM 907 C TRP A 58 15.078 -3.196 -18.317 1.00 0.53 C ATOM 908 O TRP A 58 13.903 -3.486 -18.357 1.00 0.64 O ATOM 909 CB TRP A 58 16.037 -1.464 -16.781 1.00 0.31 C ATOM 910 CG TRP A 58 14.801 -0.595 -17.025 1.00 0.33 C ATOM 911 CD1 TRP A 58 13.494 -0.993 -16.990 1.00 0.37 C ATOM 912 CD2 TRP A 58 14.868 0.714 -17.326 1.00 0.34 C ATOM 913 NE1 TRP A 58 12.857 0.131 -17.285 1.00 0.36 N ATOM 914 CE2 TRP A 58 13.600 1.190 -17.495 1.00 0.36 C ATOM 915 CE3 TRP A 58 15.936 1.580 -17.473 1.00 0.36 C ATOM 916 CZ2 TRP A 58 13.374 2.498 -17.804 1.00 0.40 C ATOM 917 CZ3 TRP A 58 15.710 2.900 -17.784 1.00 0.43 C ATOM 918 CH2 TRP A 58 14.437 3.359 -17.951 1.00 0.45 C ATOM 0 H TRP A 58 17.880 -3.099 -16.720 1.00 0.46 H new ATOM 0 HA TRP A 58 15.041 -3.336 -16.239 1.00 0.40 H new ATOM 0 HB2 TRP A 58 16.402 -1.294 -15.768 1.00 0.31 H new ATOM 0 HB3 TRP A 58 16.832 -1.159 -17.462 1.00 0.31 H new ATOM 0 HD1 TRP A 58 13.086 -1.970 -16.777 1.00 0.37 H new ATOM 0 HE1 TRP A 58 11.840 0.170 -17.346 1.00 0.36 H new ATOM 0 HE3 TRP A 58 16.946 1.220 -17.344 1.00 0.36 H new ATOM 0 HZ2 TRP A 58 12.364 2.857 -17.933 1.00 0.40 H new ATOM 0 HZ3 TRP A 58 16.544 3.576 -17.897 1.00 0.43 H new ATOM 0 HH2 TRP A 58 14.264 4.396 -18.198 1.00 0.45 H new ATOM 929 N ASN A 59 15.808 -3.073 -19.378 1.00 0.59 N ATOM 930 CA ASN A 59 15.298 -3.279 -20.752 1.00 0.79 C ATOM 931 C ASN A 59 14.410 -4.544 -20.853 1.00 0.94 C ATOM 932 O ASN A 59 13.563 -4.661 -21.710 1.00 1.10 O ATOM 933 CB ASN A 59 16.550 -3.357 -21.617 1.00 0.89 C ATOM 934 CG ASN A 59 16.159 -3.284 -23.075 1.00 1.08 C ATOM 935 OD1 ASN A 59 15.438 -2.437 -23.554 1.00 1.24 O ATOM 936 ND2 ASN A 59 16.649 -4.193 -23.821 1.00 1.18 N ATOM 0 H ASN A 59 16.796 -2.823 -19.345 1.00 0.59 H new ATOM 0 HA ASN A 59 14.642 -2.472 -21.079 1.00 0.79 H new ATOM 0 HB2 ASN A 59 17.228 -2.540 -21.370 1.00 0.89 H new ATOM 0 HB3 ASN A 59 17.085 -4.286 -21.419 1.00 0.89 H new ATOM 0 HD21 ASN A 59 16.434 -4.206 -24.818 1.00 1.18 H new ATOM 0 HD22 ASN A 59 17.257 -4.908 -23.421 1.00 1.18 H new ATOM 943 N GLU A 60 14.639 -5.448 -19.943 1.00 0.91 N ATOM 944 CA GLU A 60 13.887 -6.741 -19.892 1.00 1.06 C ATOM 945 C GLU A 60 12.384 -6.568 -19.530 1.00 0.98 C ATOM 946 O GLU A 60 11.506 -7.302 -19.938 1.00 1.11 O ATOM 947 CB GLU A 60 14.663 -7.570 -18.876 1.00 1.17 C ATOM 948 CG GLU A 60 14.039 -8.963 -18.637 1.00 1.76 C ATOM 949 CD GLU A 60 14.899 -9.709 -17.608 1.00 2.25 C ATOM 950 OE1 GLU A 60 15.066 -9.162 -16.528 1.00 2.96 O ATOM 951 OE2 GLU A 60 15.334 -10.783 -17.982 1.00 2.12 O ATOM 0 H GLU A 60 15.338 -5.344 -19.208 1.00 0.91 H new ATOM 0 HA GLU A 60 13.836 -7.226 -20.867 1.00 1.06 H new ATOM 0 HB2 GLU A 60 15.690 -7.691 -19.221 1.00 1.17 H new ATOM 0 HB3 GLU A 60 14.707 -7.030 -17.930 1.00 1.17 H new ATOM 0 HG2 GLU A 60 13.016 -8.863 -18.275 1.00 1.76 H new ATOM 0 HG3 GLU A 60 13.993 -9.523 -19.571 1.00 1.76 H new ATOM 958 N LEU A 61 12.194 -5.553 -18.744 1.00 0.80 N ATOM 959 CA LEU A 61 10.883 -5.092 -18.198 1.00 0.73 C ATOM 960 C LEU A 61 10.309 -3.911 -18.991 1.00 0.52 C ATOM 961 O LEU A 61 9.142 -3.606 -18.871 1.00 0.65 O ATOM 962 CB LEU A 61 11.068 -4.615 -16.760 1.00 0.79 C ATOM 963 CG LEU A 61 12.175 -5.352 -16.040 1.00 0.71 C ATOM 964 CD1 LEU A 61 12.323 -4.675 -14.714 1.00 0.66 C ATOM 965 CD2 LEU A 61 11.881 -6.827 -15.946 1.00 0.68 C ATOM 0 H LEU A 61 12.969 -4.970 -18.429 1.00 0.80 H new ATOM 0 HA LEU A 61 10.199 -5.938 -18.263 1.00 0.73 H new ATOM 0 HB2 LEU A 61 11.288 -3.547 -16.761 1.00 0.79 H new ATOM 0 HB3 LEU A 61 10.134 -4.747 -16.214 1.00 0.79 H new ATOM 0 HG LEU A 61 13.121 -5.307 -16.580 1.00 0.71 H new ATOM 0 HD11 LEU A 61 13.112 -5.163 -14.142 1.00 0.66 H new ATOM 0 HD12 LEU A 61 12.581 -3.627 -14.867 1.00 0.66 H new ATOM 0 HD13 LEU A 61 11.384 -4.741 -14.165 1.00 0.66 H new ATOM 0 HD21 LEU A 61 12.696 -7.328 -15.423 1.00 0.68 H new ATOM 0 HD22 LEU A 61 10.951 -6.978 -15.398 1.00 0.68 H new ATOM 0 HD23 LEU A 61 11.783 -7.243 -16.949 1.00 0.68 H new ATOM 977 N LYS A 62 11.155 -3.294 -19.763 1.00 0.35 N ATOM 978 CA LYS A 62 10.779 -2.115 -20.599 1.00 0.18 C ATOM 979 C LYS A 62 9.277 -1.854 -20.742 1.00 0.58 C ATOM 980 O LYS A 62 8.799 -0.863 -20.245 1.00 1.54 O ATOM 981 CB LYS A 62 11.465 -2.298 -22.009 1.00 0.47 C ATOM 982 CG LYS A 62 10.853 -1.227 -22.954 1.00 0.54 C ATOM 983 CD LYS A 62 11.468 -1.191 -24.385 1.00 0.63 C ATOM 984 CE LYS A 62 10.653 -0.166 -25.236 1.00 0.95 C ATOM 985 NZ LYS A 62 11.180 -0.125 -26.643 1.00 1.68 N ATOM 0 H LYS A 62 12.133 -3.568 -19.854 1.00 0.35 H new ATOM 0 HA LYS A 62 11.136 -1.224 -20.082 1.00 0.18 H new ATOM 0 HB2 LYS A 62 12.545 -2.172 -21.932 1.00 0.47 H new ATOM 0 HB3 LYS A 62 11.288 -3.301 -22.397 1.00 0.47 H new ATOM 0 HG2 LYS A 62 9.781 -1.407 -23.039 1.00 0.54 H new ATOM 0 HG3 LYS A 62 10.976 -0.246 -22.496 1.00 0.54 H new ATOM 0 HD2 LYS A 62 12.518 -0.900 -24.341 1.00 0.63 H new ATOM 0 HD3 LYS A 62 11.430 -2.180 -24.841 1.00 0.63 H new ATOM 0 HE2 LYS A 62 9.599 -0.444 -25.243 1.00 0.95 H new ATOM 0 HE3 LYS A 62 10.718 0.825 -24.786 1.00 0.95 H new ATOM 0 HZ1 LYS A 62 10.630 0.560 -27.200 1.00 1.68 H new ATOM 0 HZ2 LYS A 62 12.180 0.161 -26.631 1.00 1.68 H new ATOM 0 HZ3 LYS A 62 11.095 -1.068 -27.073 1.00 1.68 H new ATOM 999 N GLY A 63 8.595 -2.757 -21.378 1.00 0.19 N ATOM 1000 CA GLY A 63 7.108 -2.606 -21.594 1.00 0.29 C ATOM 1001 C GLY A 63 6.211 -3.394 -20.635 1.00 0.25 C ATOM 1002 O GLY A 63 5.210 -3.956 -21.029 1.00 0.28 O ATOM 0 H GLY A 63 8.997 -3.610 -21.768 1.00 0.19 H new ATOM 0 HA2 GLY A 63 6.854 -1.549 -21.513 1.00 0.29 H new ATOM 0 HA3 GLY A 63 6.875 -2.913 -22.614 1.00 0.29 H new ATOM 1006 N THR A 64 6.614 -3.397 -19.401 1.00 0.34 N ATOM 1007 CA THR A 64 5.882 -4.102 -18.292 1.00 0.42 C ATOM 1008 C THR A 64 5.018 -3.094 -17.540 1.00 0.43 C ATOM 1009 O THR A 64 4.958 -1.914 -17.841 1.00 0.57 O ATOM 1010 CB THR A 64 6.936 -4.735 -17.314 1.00 0.48 C ATOM 1011 OG1 THR A 64 7.168 -6.046 -17.784 1.00 0.57 O ATOM 1012 CG2 THR A 64 6.533 -5.028 -15.881 1.00 0.48 C ATOM 0 H THR A 64 7.460 -2.919 -19.092 1.00 0.34 H new ATOM 0 HA THR A 64 5.244 -4.886 -18.700 1.00 0.42 H new ATOM 0 HB THR A 64 7.734 -3.992 -17.303 1.00 0.48 H new ATOM 0 HG1 THR A 64 7.824 -6.489 -17.207 1.00 0.57 H new ATOM 0 HG21 THR A 64 7.378 -5.462 -15.347 1.00 0.48 H new ATOM 0 HG22 THR A 64 6.231 -4.102 -15.392 1.00 0.48 H new ATOM 0 HG23 THR A 64 5.700 -5.731 -15.874 1.00 0.48 H new ATOM 1020 N SER A 65 4.349 -3.612 -16.552 1.00 0.36 N ATOM 1021 CA SER A 65 3.476 -2.744 -15.710 1.00 0.42 C ATOM 1022 C SER A 65 4.391 -2.227 -14.593 1.00 0.12 C ATOM 1023 O SER A 65 5.132 -2.960 -13.953 1.00 0.21 O ATOM 1024 CB SER A 65 2.357 -3.501 -15.007 1.00 0.69 C ATOM 1025 OG SER A 65 3.030 -4.401 -14.124 1.00 1.61 O ATOM 0 H SER A 65 4.367 -4.597 -16.289 1.00 0.36 H new ATOM 0 HA SER A 65 3.020 -1.987 -16.348 1.00 0.42 H new ATOM 0 HB2 SER A 65 1.703 -2.823 -14.459 1.00 0.69 H new ATOM 0 HB3 SER A 65 1.733 -4.039 -15.721 1.00 0.69 H new ATOM 0 HG SER A 65 3.997 -4.249 -14.177 1.00 1.61 H new ATOM 1031 N LYS A 66 4.292 -0.961 -14.377 1.00 0.26 N ATOM 1032 CA LYS A 66 5.127 -0.320 -13.321 1.00 0.10 C ATOM 1033 C LYS A 66 4.934 -1.054 -11.975 1.00 0.14 C ATOM 1034 O LYS A 66 5.782 -1.223 -11.122 1.00 0.16 O ATOM 1035 CB LYS A 66 4.674 1.122 -13.349 1.00 0.17 C ATOM 1036 CG LYS A 66 5.213 1.672 -14.730 1.00 0.45 C ATOM 1037 CD LYS A 66 5.137 3.197 -14.888 1.00 0.56 C ATOM 1038 CE LYS A 66 6.151 3.827 -13.964 1.00 0.81 C ATOM 1039 NZ LYS A 66 6.371 5.239 -14.402 1.00 0.98 N ATOM 0 H LYS A 66 3.670 -0.330 -14.882 1.00 0.26 H new ATOM 0 HA LYS A 66 6.204 -0.374 -13.479 1.00 0.10 H new ATOM 0 HB2 LYS A 66 3.589 1.200 -13.286 1.00 0.17 H new ATOM 0 HB3 LYS A 66 5.083 1.684 -12.510 1.00 0.17 H new ATOM 0 HG2 LYS A 66 6.250 1.359 -14.850 1.00 0.45 H new ATOM 0 HG3 LYS A 66 4.645 1.208 -15.537 1.00 0.45 H new ATOM 0 HD2 LYS A 66 5.338 3.481 -15.921 1.00 0.56 H new ATOM 0 HD3 LYS A 66 4.135 3.553 -14.649 1.00 0.56 H new ATOM 0 HE2 LYS A 66 5.795 3.800 -12.934 1.00 0.81 H new ATOM 0 HE3 LYS A 66 7.088 3.270 -13.992 1.00 0.81 H new ATOM 0 HZ1 LYS A 66 7.042 5.702 -13.757 1.00 0.98 H new ATOM 0 HZ2 LYS A 66 6.757 5.247 -15.368 1.00 0.98 H new ATOM 0 HZ3 LYS A 66 5.466 5.752 -14.387 1.00 0.98 H new ATOM 1053 N GLU A 67 3.740 -1.507 -11.857 1.00 0.19 N ATOM 1054 CA GLU A 67 3.271 -2.257 -10.671 1.00 0.24 C ATOM 1055 C GLU A 67 4.014 -3.622 -10.530 1.00 0.14 C ATOM 1056 O GLU A 67 4.600 -3.864 -9.487 1.00 0.15 O ATOM 1057 CB GLU A 67 1.782 -2.320 -10.909 1.00 0.35 C ATOM 1058 CG GLU A 67 1.196 -0.838 -10.752 1.00 0.65 C ATOM 1059 CD GLU A 67 1.476 0.060 -11.974 1.00 1.73 C ATOM 1060 OE1 GLU A 67 1.417 -0.436 -13.095 1.00 2.72 O ATOM 1061 OE2 GLU A 67 1.735 1.217 -11.687 1.00 2.09 O ATOM 0 H GLU A 67 3.024 -1.384 -12.573 1.00 0.19 H new ATOM 0 HA GLU A 67 3.486 -1.801 -9.704 1.00 0.24 H new ATOM 0 HB2 GLU A 67 1.571 -2.710 -11.905 1.00 0.35 H new ATOM 0 HB3 GLU A 67 1.310 -2.995 -10.195 1.00 0.35 H new ATOM 0 HG2 GLU A 67 0.120 -0.895 -10.591 1.00 0.65 H new ATOM 0 HG3 GLU A 67 1.627 -0.376 -9.864 1.00 0.65 H new ATOM 1068 N ASP A 68 4.010 -4.509 -11.505 1.00 0.15 N ATOM 1069 CA ASP A 68 4.765 -5.806 -11.326 1.00 0.10 C ATOM 1070 C ASP A 68 6.221 -5.447 -11.022 1.00 0.11 C ATOM 1071 O ASP A 68 6.892 -6.025 -10.176 1.00 0.26 O ATOM 1072 CB ASP A 68 4.698 -6.648 -12.605 1.00 0.39 C ATOM 1073 CG ASP A 68 4.079 -8.023 -12.423 1.00 1.50 C ATOM 1074 OD1 ASP A 68 3.663 -8.366 -11.326 1.00 2.55 O ATOM 1075 OD2 ASP A 68 4.093 -8.634 -13.474 1.00 2.17 O ATOM 0 H ASP A 68 3.530 -4.399 -12.398 1.00 0.15 H new ATOM 0 HA ASP A 68 4.327 -6.389 -10.516 1.00 0.10 H new ATOM 0 HB2 ASP A 68 4.125 -6.102 -13.355 1.00 0.39 H new ATOM 0 HB3 ASP A 68 5.707 -6.767 -13.000 1.00 0.39 H new ATOM 1080 N ALA A 69 6.655 -4.463 -11.766 1.00 0.18 N ATOM 1081 CA ALA A 69 8.048 -3.969 -11.596 1.00 0.32 C ATOM 1082 C ALA A 69 8.160 -3.695 -10.097 1.00 0.39 C ATOM 1083 O ALA A 69 9.104 -4.163 -9.509 1.00 0.48 O ATOM 1084 CB ALA A 69 8.234 -2.706 -12.398 1.00 0.39 C ATOM 0 H ALA A 69 6.106 -3.984 -12.480 1.00 0.18 H new ATOM 0 HA ALA A 69 8.807 -4.672 -11.940 1.00 0.32 H new ATOM 0 HB1 ALA A 69 9.254 -2.343 -12.274 1.00 0.39 H new ATOM 0 HB2 ALA A 69 8.048 -2.913 -13.452 1.00 0.39 H new ATOM 0 HB3 ALA A 69 7.534 -1.947 -12.049 1.00 0.39 H new ATOM 1090 N MET A 70 7.232 -2.979 -9.511 1.00 0.32 N ATOM 1091 CA MET A 70 7.315 -2.716 -8.055 1.00 0.33 C ATOM 1092 C MET A 70 7.396 -4.009 -7.271 1.00 0.35 C ATOM 1093 O MET A 70 8.329 -4.172 -6.520 1.00 0.43 O ATOM 1094 CB MET A 70 6.078 -1.995 -7.483 1.00 0.22 C ATOM 1095 CG MET A 70 5.940 -0.566 -7.888 1.00 0.22 C ATOM 1096 SD MET A 70 4.577 0.261 -7.037 1.00 0.24 S ATOM 1097 CE MET A 70 4.601 1.678 -8.150 1.00 0.27 C ATOM 0 H MET A 70 6.426 -2.570 -9.983 1.00 0.32 H new ATOM 0 HA MET A 70 8.204 -2.094 -7.951 1.00 0.33 H new ATOM 0 HB2 MET A 70 5.184 -2.534 -7.797 1.00 0.22 H new ATOM 0 HB3 MET A 70 6.116 -2.047 -6.395 1.00 0.22 H new ATOM 0 HG2 MET A 70 6.870 -0.039 -7.676 1.00 0.22 H new ATOM 0 HG3 MET A 70 5.780 -0.510 -8.965 1.00 0.22 H new ATOM 0 HE1 MET A 70 3.841 2.396 -7.842 1.00 0.27 H new ATOM 0 HE2 MET A 70 5.582 2.151 -8.115 1.00 0.27 H new ATOM 0 HE3 MET A 70 4.395 1.345 -9.167 1.00 0.27 H new ATOM 1107 N LYS A 71 6.425 -4.859 -7.462 1.00 0.28 N ATOM 1108 CA LYS A 71 6.423 -6.153 -6.720 1.00 0.36 C ATOM 1109 C LYS A 71 7.798 -6.781 -6.583 1.00 0.49 C ATOM 1110 O LYS A 71 8.221 -7.033 -5.476 1.00 0.63 O ATOM 1111 CB LYS A 71 5.479 -7.145 -7.418 1.00 0.25 C ATOM 1112 CG LYS A 71 4.090 -7.149 -6.720 1.00 0.83 C ATOM 1113 CD LYS A 71 4.170 -7.468 -5.163 1.00 2.49 C ATOM 1114 CE LYS A 71 4.890 -8.800 -4.824 1.00 2.89 C ATOM 1115 NZ LYS A 71 6.348 -8.598 -4.527 1.00 4.27 N ATOM 0 H LYS A 71 5.638 -4.716 -8.095 1.00 0.28 H new ATOM 0 HA LYS A 71 6.079 -5.928 -5.710 1.00 0.36 H new ATOM 0 HB2 LYS A 71 5.366 -6.873 -8.467 1.00 0.25 H new ATOM 0 HB3 LYS A 71 5.909 -8.146 -7.393 1.00 0.25 H new ATOM 0 HG2 LYS A 71 3.617 -6.177 -6.861 1.00 0.83 H new ATOM 0 HG3 LYS A 71 3.450 -7.888 -7.203 1.00 0.83 H new ATOM 0 HD2 LYS A 71 4.688 -6.650 -4.662 1.00 2.49 H new ATOM 0 HD3 LYS A 71 3.159 -7.501 -4.758 1.00 2.49 H new ATOM 0 HE2 LYS A 71 4.407 -9.263 -3.964 1.00 2.89 H new ATOM 0 HE3 LYS A 71 4.784 -9.491 -5.660 1.00 2.89 H new ATOM 0 HZ1 LYS A 71 6.899 -9.371 -4.952 1.00 4.27 H new ATOM 0 HZ2 LYS A 71 6.661 -7.690 -4.926 1.00 4.27 H new ATOM 0 HZ3 LYS A 71 6.495 -8.593 -3.497 1.00 4.27 H new ATOM 1129 N ALA A 72 8.431 -6.995 -7.701 1.00 0.48 N ATOM 1130 CA ALA A 72 9.782 -7.601 -7.704 1.00 0.65 C ATOM 1131 C ALA A 72 10.783 -6.522 -7.203 1.00 0.59 C ATOM 1132 O ALA A 72 11.643 -6.852 -6.416 1.00 0.67 O ATOM 1133 CB ALA A 72 9.913 -8.067 -9.147 1.00 0.77 C ATOM 0 H ALA A 72 8.061 -6.771 -8.625 1.00 0.48 H new ATOM 0 HA ALA A 72 9.975 -8.446 -7.043 1.00 0.65 H new ATOM 0 HB1 ALA A 72 10.884 -8.542 -9.289 1.00 0.77 H new ATOM 0 HB2 ALA A 72 9.122 -8.783 -9.371 1.00 0.77 H new ATOM 0 HB3 ALA A 72 9.827 -7.210 -9.815 1.00 0.77 H new ATOM 1139 N TYR A 73 10.697 -5.286 -7.630 1.00 0.48 N ATOM 1140 CA TYR A 73 11.657 -4.251 -7.124 1.00 0.41 C ATOM 1141 C TYR A 73 11.746 -4.352 -5.603 1.00 0.33 C ATOM 1142 O TYR A 73 12.771 -4.651 -5.020 1.00 0.30 O ATOM 1143 CB TYR A 73 11.157 -2.858 -7.472 1.00 0.36 C ATOM 1144 CG TYR A 73 12.105 -1.890 -6.783 1.00 0.30 C ATOM 1145 CD1 TYR A 73 13.385 -1.755 -7.260 1.00 0.88 C ATOM 1146 CD2 TYR A 73 11.693 -1.154 -5.689 1.00 0.63 C ATOM 1147 CE1 TYR A 73 14.248 -0.892 -6.655 1.00 0.84 C ATOM 1148 CE2 TYR A 73 12.576 -0.284 -5.096 1.00 0.63 C ATOM 1149 CZ TYR A 73 13.844 -0.171 -5.593 1.00 0.20 C ATOM 1150 OH TYR A 73 14.780 0.657 -5.052 1.00 0.18 O ATOM 0 H TYR A 73 10.009 -4.949 -8.303 1.00 0.48 H new ATOM 0 HA TYR A 73 12.631 -4.422 -7.583 1.00 0.41 H new ATOM 0 HB2 TYR A 73 11.156 -2.702 -8.551 1.00 0.36 H new ATOM 0 HB3 TYR A 73 10.133 -2.713 -7.128 1.00 0.36 H new ATOM 0 HD1 TYR A 73 13.707 -2.332 -8.114 1.00 0.88 H new ATOM 0 HD2 TYR A 73 10.689 -1.261 -5.305 1.00 0.63 H new ATOM 0 HE1 TYR A 73 15.256 -0.786 -7.028 1.00 0.84 H new ATOM 0 HE2 TYR A 73 12.270 0.306 -4.244 1.00 0.63 H new ATOM 0 HH TYR A 73 15.028 1.342 -5.707 1.00 0.18 H new ATOM 1160 N ILE A 74 10.596 -4.084 -5.044 1.00 0.33 N ATOM 1161 CA ILE A 74 10.394 -4.100 -3.587 1.00 0.30 C ATOM 1162 C ILE A 74 11.030 -5.390 -3.094 1.00 0.43 C ATOM 1163 O ILE A 74 12.007 -5.334 -2.389 1.00 0.46 O ATOM 1164 CB ILE A 74 8.894 -4.060 -3.311 1.00 0.32 C ATOM 1165 CG1 ILE A 74 8.237 -2.750 -3.790 1.00 0.17 C ATOM 1166 CG2 ILE A 74 8.829 -4.005 -1.799 1.00 0.35 C ATOM 1167 CD1 ILE A 74 6.692 -2.917 -3.808 1.00 0.22 C ATOM 0 H ILE A 74 9.758 -3.845 -5.574 1.00 0.33 H new ATOM 0 HA ILE A 74 10.843 -3.248 -3.077 1.00 0.30 H new ATOM 0 HB ILE A 74 8.395 -4.895 -3.803 1.00 0.32 H new ATOM 0 HG12 ILE A 74 8.516 -1.929 -3.130 1.00 0.17 H new ATOM 0 HG13 ILE A 74 8.597 -2.494 -4.787 1.00 0.17 H new ATOM 0 HG21 ILE A 74 7.787 -3.973 -1.481 1.00 0.35 H new ATOM 0 HG22 ILE A 74 9.309 -4.890 -1.382 1.00 0.35 H new ATOM 0 HG23 ILE A 74 9.344 -3.112 -1.445 1.00 0.35 H new ATOM 0 HD11 ILE A 74 6.230 -1.990 -4.147 1.00 0.22 H new ATOM 0 HD12 ILE A 74 6.421 -3.726 -4.486 1.00 0.22 H new ATOM 0 HD13 ILE A 74 6.340 -3.152 -2.804 1.00 0.22 H new ATOM 1179 N ASP A 75 10.488 -6.517 -3.462 1.00 0.52 N ATOM 1180 CA ASP A 75 11.043 -7.833 -3.044 1.00 0.66 C ATOM 1181 C ASP A 75 12.572 -7.900 -3.084 1.00 0.62 C ATOM 1182 O ASP A 75 13.217 -8.500 -2.246 1.00 0.69 O ATOM 1183 CB ASP A 75 10.391 -8.804 -3.987 1.00 0.80 C ATOM 1184 CG ASP A 75 8.921 -9.029 -3.717 1.00 1.08 C ATOM 1185 OD1 ASP A 75 8.295 -8.264 -3.005 1.00 0.94 O ATOM 1186 OD2 ASP A 75 8.433 -9.993 -4.275 1.00 2.01 O ATOM 0 H ASP A 75 9.659 -6.581 -4.053 1.00 0.52 H new ATOM 0 HA ASP A 75 10.828 -8.050 -1.998 1.00 0.66 H new ATOM 0 HB2 ASP A 75 10.511 -8.440 -5.007 1.00 0.80 H new ATOM 0 HB3 ASP A 75 10.912 -9.760 -3.926 1.00 0.80 H new ATOM 1191 N LYS A 76 13.126 -7.264 -4.077 1.00 0.55 N ATOM 1192 CA LYS A 76 14.616 -7.297 -4.165 1.00 0.46 C ATOM 1193 C LYS A 76 15.215 -6.290 -3.188 1.00 0.38 C ATOM 1194 O LYS A 76 16.266 -6.517 -2.614 1.00 0.43 O ATOM 1195 CB LYS A 76 15.013 -7.006 -5.594 1.00 0.49 C ATOM 1196 CG LYS A 76 16.373 -7.762 -5.773 1.00 0.43 C ATOM 1197 CD LYS A 76 16.013 -9.275 -6.033 1.00 0.49 C ATOM 1198 CE LYS A 76 17.235 -10.178 -6.092 1.00 0.79 C ATOM 1199 NZ LYS A 76 17.772 -10.308 -4.705 1.00 1.05 N ATOM 0 H LYS A 76 12.639 -6.742 -4.805 1.00 0.55 H new ATOM 0 HA LYS A 76 15.001 -8.279 -3.889 1.00 0.46 H new ATOM 0 HB2 LYS A 76 14.262 -7.365 -6.298 1.00 0.49 H new ATOM 0 HB3 LYS A 76 15.126 -5.936 -5.766 1.00 0.49 H new ATOM 0 HG2 LYS A 76 16.940 -7.349 -6.608 1.00 0.43 H new ATOM 0 HG3 LYS A 76 16.995 -7.658 -4.884 1.00 0.43 H new ATOM 0 HD2 LYS A 76 15.348 -9.625 -5.243 1.00 0.49 H new ATOM 0 HD3 LYS A 76 15.464 -9.355 -6.971 1.00 0.49 H new ATOM 0 HE2 LYS A 76 16.968 -11.156 -6.492 1.00 0.79 H new ATOM 0 HE3 LYS A 76 17.990 -9.757 -6.756 1.00 0.79 H new ATOM 0 HZ1 LYS A 76 18.812 -10.299 -4.733 1.00 1.05 H new ATOM 0 HZ2 LYS A 76 17.435 -9.513 -4.126 1.00 1.05 H new ATOM 0 HZ3 LYS A 76 17.444 -11.203 -4.288 1.00 1.05 H new ATOM 1213 N VAL A 77 14.571 -5.185 -3.008 1.00 0.28 N ATOM 1214 CA VAL A 77 15.131 -4.202 -2.038 1.00 0.20 C ATOM 1215 C VAL A 77 15.007 -4.981 -0.741 1.00 0.30 C ATOM 1216 O VAL A 77 15.926 -4.976 0.053 1.00 0.26 O ATOM 1217 CB VAL A 77 14.290 -2.947 -2.004 1.00 0.16 C ATOM 1218 CG1 VAL A 77 14.858 -2.046 -0.886 1.00 0.22 C ATOM 1219 CG2 VAL A 77 14.480 -2.234 -3.335 1.00 0.17 C ATOM 0 H VAL A 77 13.704 -4.916 -3.472 1.00 0.28 H new ATOM 0 HA VAL A 77 16.141 -3.861 -2.263 1.00 0.20 H new ATOM 0 HB VAL A 77 13.237 -3.169 -1.830 1.00 0.16 H new ATOM 0 HG11 VAL A 77 14.276 -1.126 -0.829 1.00 0.22 H new ATOM 0 HG12 VAL A 77 14.802 -2.571 0.068 1.00 0.22 H new ATOM 0 HG13 VAL A 77 15.898 -1.804 -1.106 1.00 0.22 H new ATOM 0 HG21 VAL A 77 13.886 -1.320 -3.346 1.00 0.17 H new ATOM 0 HG22 VAL A 77 15.533 -1.984 -3.467 1.00 0.17 H new ATOM 0 HG23 VAL A 77 14.158 -2.887 -4.147 1.00 0.17 H new ATOM 1229 N GLU A 78 13.889 -5.647 -0.531 1.00 0.45 N ATOM 1230 CA GLU A 78 13.689 -6.446 0.691 1.00 0.60 C ATOM 1231 C GLU A 78 14.915 -7.379 0.718 1.00 0.79 C ATOM 1232 O GLU A 78 15.596 -7.365 1.722 1.00 0.84 O ATOM 1233 CB GLU A 78 12.305 -7.068 0.480 1.00 0.69 C ATOM 1234 CG GLU A 78 11.209 -5.929 0.693 1.00 1.51 C ATOM 1235 CD GLU A 78 11.404 -5.062 1.956 1.00 1.30 C ATOM 1236 OE1 GLU A 78 11.778 -5.686 2.941 1.00 0.34 O ATOM 1237 OE2 GLU A 78 11.179 -3.856 1.902 1.00 2.36 O ATOM 0 H GLU A 78 13.101 -5.660 -1.179 1.00 0.45 H new ATOM 0 HA GLU A 78 13.660 -5.963 1.668 1.00 0.60 H new ATOM 0 HB2 GLU A 78 12.226 -7.489 -0.522 1.00 0.69 H new ATOM 0 HB3 GLU A 78 12.145 -7.886 1.182 1.00 0.69 H new ATOM 0 HG2 GLU A 78 11.210 -5.277 -0.180 1.00 1.51 H new ATOM 0 HG3 GLU A 78 10.226 -6.397 0.740 1.00 1.51 H new ATOM 1244 N GLU A 79 15.187 -8.173 -0.300 1.00 0.84 N ATOM 1245 CA GLU A 79 16.411 -9.047 -0.293 1.00 0.96 C ATOM 1246 C GLU A 79 17.587 -8.307 0.399 1.00 0.75 C ATOM 1247 O GLU A 79 18.153 -8.762 1.378 1.00 0.97 O ATOM 1248 CB GLU A 79 16.724 -9.350 -1.760 1.00 1.03 C ATOM 1249 CG GLU A 79 16.095 -10.674 -2.146 1.00 1.26 C ATOM 1250 CD GLU A 79 17.002 -11.829 -1.738 1.00 0.88 C ATOM 1251 OE1 GLU A 79 16.951 -12.192 -0.568 1.00 1.13 O ATOM 1252 OE2 GLU A 79 17.689 -12.229 -2.668 1.00 1.61 O ATOM 0 H GLU A 79 14.610 -8.252 -1.138 1.00 0.84 H new ATOM 0 HA GLU A 79 16.252 -9.971 0.263 1.00 0.96 H new ATOM 0 HB2 GLU A 79 16.340 -8.553 -2.397 1.00 1.03 H new ATOM 0 HB3 GLU A 79 17.803 -9.389 -1.913 1.00 1.03 H new ATOM 0 HG2 GLU A 79 15.123 -10.777 -1.663 1.00 1.26 H new ATOM 0 HG3 GLU A 79 15.921 -10.702 -3.222 1.00 1.26 H new ATOM 1259 N LEU A 80 17.923 -7.172 -0.160 1.00 0.42 N ATOM 1260 CA LEU A 80 19.035 -6.311 0.378 1.00 0.36 C ATOM 1261 C LEU A 80 19.011 -6.061 1.873 1.00 0.64 C ATOM 1262 O LEU A 80 19.993 -6.348 2.524 1.00 0.82 O ATOM 1263 CB LEU A 80 18.975 -5.030 -0.371 1.00 0.30 C ATOM 1264 CG LEU A 80 19.378 -5.295 -1.810 1.00 0.16 C ATOM 1265 CD1 LEU A 80 19.291 -4.011 -2.573 1.00 0.42 C ATOM 1266 CD2 LEU A 80 20.795 -5.831 -1.795 1.00 0.20 C ATOM 0 H LEU A 80 17.464 -6.792 -0.988 1.00 0.42 H new ATOM 0 HA LEU A 80 19.972 -6.848 0.231 1.00 0.36 H new ATOM 0 HB2 LEU A 80 17.968 -4.614 -0.330 1.00 0.30 H new ATOM 0 HB3 LEU A 80 19.642 -4.296 0.080 1.00 0.30 H new ATOM 0 HG LEU A 80 18.723 -6.022 -2.290 1.00 0.16 H new ATOM 0 HD11 LEU A 80 19.578 -4.184 -3.610 1.00 0.42 H new ATOM 0 HD12 LEU A 80 18.269 -3.635 -2.537 1.00 0.42 H new ATOM 0 HD13 LEU A 80 19.963 -3.277 -2.128 1.00 0.42 H new ATOM 0 HD21 LEU A 80 21.118 -6.033 -2.816 1.00 0.20 H new ATOM 0 HD22 LEU A 80 21.458 -5.093 -1.344 1.00 0.20 H new ATOM 0 HD23 LEU A 80 20.829 -6.753 -1.214 1.00 0.20 H new ATOM 1278 N LYS A 81 17.928 -5.506 2.326 1.00 0.65 N ATOM 1279 CA LYS A 81 17.667 -5.190 3.782 1.00 0.93 C ATOM 1280 C LYS A 81 18.445 -6.099 4.772 1.00 0.95 C ATOM 1281 O LYS A 81 18.899 -5.674 5.810 1.00 1.10 O ATOM 1282 CB LYS A 81 16.162 -5.326 3.907 1.00 1.09 C ATOM 1283 CG LYS A 81 15.581 -5.203 5.333 1.00 1.61 C ATOM 1284 CD LYS A 81 13.998 -5.157 5.283 1.00 1.84 C ATOM 1285 CE LYS A 81 13.458 -4.072 4.307 1.00 2.28 C ATOM 1286 NZ LYS A 81 14.154 -2.808 4.604 1.00 1.53 N ATOM 0 H LYS A 81 17.156 -5.237 1.716 1.00 0.65 H new ATOM 0 HA LYS A 81 18.025 -4.197 4.055 1.00 0.93 H new ATOM 0 HB2 LYS A 81 15.696 -4.565 3.281 1.00 1.09 H new ATOM 0 HB3 LYS A 81 15.871 -6.295 3.501 1.00 1.09 H new ATOM 0 HG2 LYS A 81 15.908 -6.048 5.940 1.00 1.61 H new ATOM 0 HG3 LYS A 81 15.962 -4.301 5.811 1.00 1.61 H new ATOM 0 HD2 LYS A 81 13.620 -6.133 4.979 1.00 1.84 H new ATOM 0 HD3 LYS A 81 13.613 -4.963 6.284 1.00 1.84 H new ATOM 0 HE2 LYS A 81 13.632 -4.369 3.273 1.00 2.28 H new ATOM 0 HE3 LYS A 81 12.381 -3.952 4.428 1.00 2.28 H new ATOM 0 HZ1 LYS A 81 13.563 -2.007 4.303 1.00 1.53 H new ATOM 0 HZ2 LYS A 81 14.333 -2.742 5.626 1.00 1.53 H new ATOM 0 HZ3 LYS A 81 15.059 -2.781 4.092 1.00 1.53 H new ATOM 1300 N LYS A 82 18.562 -7.337 4.377 1.00 0.88 N ATOM 1301 CA LYS A 82 19.254 -8.429 5.117 1.00 0.97 C ATOM 1302 C LYS A 82 20.765 -8.410 4.838 1.00 0.65 C ATOM 1303 O LYS A 82 21.617 -8.343 5.696 1.00 0.54 O ATOM 1304 CB LYS A 82 18.669 -9.781 4.655 1.00 1.30 C ATOM 1305 CG LYS A 82 17.185 -9.904 5.040 1.00 1.41 C ATOM 1306 CD LYS A 82 16.538 -11.110 4.272 1.00 1.92 C ATOM 1307 CE LYS A 82 16.342 -10.737 2.802 1.00 2.59 C ATOM 1308 NZ LYS A 82 15.797 -11.893 2.017 1.00 3.60 N ATOM 0 H LYS A 82 18.169 -7.657 3.492 1.00 0.88 H new ATOM 0 HA LYS A 82 19.101 -8.286 6.187 1.00 0.97 H new ATOM 0 HB2 LYS A 82 18.777 -9.877 3.575 1.00 1.30 H new ATOM 0 HB3 LYS A 82 19.233 -10.598 5.105 1.00 1.30 H new ATOM 0 HG2 LYS A 82 17.089 -10.052 6.116 1.00 1.41 H new ATOM 0 HG3 LYS A 82 16.659 -8.981 4.797 1.00 1.41 H new ATOM 0 HD2 LYS A 82 17.176 -11.990 4.352 1.00 1.92 H new ATOM 0 HD3 LYS A 82 15.580 -11.369 4.723 1.00 1.92 H new ATOM 0 HE2 LYS A 82 15.661 -9.890 2.727 1.00 2.59 H new ATOM 0 HE3 LYS A 82 17.293 -10.420 2.375 1.00 2.59 H new ATOM 0 HZ1 LYS A 82 16.296 -11.961 1.107 1.00 3.60 H new ATOM 0 HZ2 LYS A 82 15.934 -12.773 2.554 1.00 3.60 H new ATOM 0 HZ3 LYS A 82 14.782 -11.748 1.845 1.00 3.60 H new ATOM 1322 N LYS A 83 21.007 -8.491 3.568 1.00 0.53 N ATOM 1323 CA LYS A 83 22.371 -8.497 2.971 1.00 0.36 C ATOM 1324 C LYS A 83 23.226 -7.331 3.504 1.00 0.14 C ATOM 1325 O LYS A 83 24.348 -7.505 3.941 1.00 0.30 O ATOM 1326 CB LYS A 83 22.133 -8.429 1.475 1.00 0.27 C ATOM 1327 CG LYS A 83 21.322 -9.687 1.050 1.00 0.32 C ATOM 1328 CD LYS A 83 20.557 -9.414 -0.274 1.00 0.17 C ATOM 1329 CE LYS A 83 19.879 -10.688 -0.729 1.00 0.26 C ATOM 1330 NZ LYS A 83 20.978 -11.527 -1.258 1.00 0.80 N ATOM 0 H LYS A 83 20.265 -8.558 2.871 1.00 0.53 H new ATOM 0 HA LYS A 83 22.943 -9.386 3.236 1.00 0.36 H new ATOM 0 HB2 LYS A 83 21.587 -7.521 1.219 1.00 0.27 H new ATOM 0 HB3 LYS A 83 23.083 -8.391 0.941 1.00 0.27 H new ATOM 0 HG2 LYS A 83 21.995 -10.535 0.921 1.00 0.32 H new ATOM 0 HG3 LYS A 83 20.617 -9.956 1.836 1.00 0.32 H new ATOM 0 HD2 LYS A 83 19.817 -8.628 -0.125 1.00 0.17 H new ATOM 0 HD3 LYS A 83 21.247 -9.061 -1.041 1.00 0.17 H new ATOM 0 HE2 LYS A 83 19.366 -11.181 0.097 1.00 0.26 H new ATOM 0 HE3 LYS A 83 19.130 -10.487 -1.495 1.00 0.26 H new ATOM 0 HZ1 LYS A 83 20.855 -12.507 -0.931 1.00 0.80 H new ATOM 0 HZ2 LYS A 83 20.962 -11.505 -2.298 1.00 0.80 H new ATOM 0 HZ3 LYS A 83 21.890 -11.160 -0.918 1.00 0.80 H new ATOM 1344 N TYR A 84 22.628 -6.174 3.428 1.00 0.13 N ATOM 1345 CA TYR A 84 23.325 -4.935 3.914 1.00 0.39 C ATOM 1346 C TYR A 84 22.659 -4.353 5.192 1.00 0.55 C ATOM 1347 O TYR A 84 23.449 -4.022 6.056 1.00 0.72 O ATOM 1348 CB TYR A 84 23.376 -3.939 2.677 1.00 0.41 C ATOM 1349 CG TYR A 84 23.915 -4.814 1.551 1.00 0.36 C ATOM 1350 CD1 TYR A 84 25.269 -5.037 1.425 1.00 1.55 C ATOM 1351 CD2 TYR A 84 23.034 -5.440 0.687 1.00 1.63 C ATOM 1352 CE1 TYR A 84 25.728 -5.890 0.439 1.00 1.62 C ATOM 1353 CE2 TYR A 84 23.501 -6.283 -0.281 1.00 1.56 C ATOM 1354 CZ TYR A 84 24.842 -6.510 -0.409 1.00 0.44 C ATOM 1355 OH TYR A 84 25.275 -7.352 -1.404 1.00 0.52 O ATOM 0 H TYR A 84 21.691 -6.026 3.053 1.00 0.13 H new ATOM 0 HA TYR A 84 24.342 -5.144 4.245 1.00 0.39 H new ATOM 0 HB2 TYR A 84 22.390 -3.539 2.440 1.00 0.41 H new ATOM 0 HB3 TYR A 84 24.027 -3.087 2.872 1.00 0.41 H new ATOM 0 HD1 TYR A 84 25.966 -4.549 2.091 1.00 1.55 H new ATOM 0 HD2 TYR A 84 21.973 -5.261 0.778 1.00 1.63 H new ATOM 0 HE1 TYR A 84 26.788 -6.070 0.335 1.00 1.62 H new ATOM 0 HE2 TYR A 84 22.807 -6.772 -0.948 1.00 1.56 H new ATOM 0 HH TYR A 84 24.503 -7.696 -1.900 1.00 0.52 H new ATOM 1365 N GLY A 85 21.347 -4.207 5.371 1.00 0.60 N ATOM 1366 CA GLY A 85 20.925 -3.629 6.712 1.00 0.82 C ATOM 1367 C GLY A 85 19.589 -2.914 6.914 1.00 1.78 C ATOM 1368 O GLY A 85 18.914 -3.192 7.883 1.00 3.45 O ATOM 0 H GLY A 85 20.607 -4.440 4.709 1.00 0.60 H new ATOM 0 HA2 GLY A 85 20.950 -4.451 7.428 1.00 0.82 H new ATOM 0 HA3 GLY A 85 21.703 -2.925 7.007 1.00 0.82 H new ATOM 1372 N ILE A 86 19.233 -2.025 6.037 1.00 1.01 N ATOM 1373 CA ILE A 86 17.957 -1.287 6.174 1.00 1.62 C ATOM 1374 C ILE A 86 16.667 -1.968 5.693 1.00 2.69 C ATOM 1375 O ILE A 86 16.587 -2.420 4.559 1.00 3.82 O ATOM 1376 CB ILE A 86 18.219 0.053 5.448 1.00 0.85 C ATOM 1377 CG1 ILE A 86 17.619 1.076 6.342 1.00 1.26 C ATOM 1378 CG2 ILE A 86 17.627 0.129 4.066 1.00 2.12 C ATOM 1379 CD1 ILE A 86 17.603 2.506 5.754 1.00 1.08 C ATOM 1380 OXT ILE A 86 15.780 -1.991 6.531 1.00 2.74 O ATOM 0 H ILE A 86 19.784 -1.775 5.216 1.00 1.01 H new ATOM 0 HA ILE A 86 17.725 -1.196 7.235 1.00 1.62 H new ATOM 0 HB ILE A 86 19.287 0.194 5.279 1.00 0.85 H new ATOM 0 HG12 ILE A 86 16.596 0.781 6.577 1.00 1.26 H new ATOM 0 HG13 ILE A 86 18.171 1.089 7.282 1.00 1.26 H new ATOM 0 HG21 ILE A 86 17.855 1.099 3.625 1.00 2.12 H new ATOM 0 HG22 ILE A 86 18.051 -0.660 3.445 1.00 2.12 H new ATOM 0 HG23 ILE A 86 16.546 0.003 4.126 1.00 2.12 H new ATOM 0 HD11 ILE A 86 17.148 3.189 6.471 1.00 1.08 H new ATOM 0 HD12 ILE A 86 18.624 2.825 5.546 1.00 1.08 H new ATOM 0 HD13 ILE A 86 17.025 2.513 4.830 1.00 1.08 H new