USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 632 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 38 LYS NZ :NH3+ 155:sc= 2.23 (180deg=0.926) USER MOD Set 1.2: A 77 THR OG1 : rot 67:sc= 2.26 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ -171:sc= -0.057 (180deg=-0.27) USER MOD Single : A 16 SER OG : rot -83:sc= 0.173 USER MOD Single : A 20 GLN : amide:sc= -0.904 K(o=-0.9,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -157:sc= -3.22! (180deg=-3.84!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.922 K(o=0.92,f=-5.8!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 161:sc= -0.13 (180deg=-0.658) USER MOD Single : A 46 THR OG1 : rot -91:sc= 1.27 USER MOD Single : A 51 GLN : amide:sc= -0.476 K(o=-0.48,f=-1.9!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -3.51! K(o=-3.5!,f=-0.026) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.736 USER MOD Single : A 72 ASN : amide:sc= -2.3! C(o=-2.3!,f=-3.1!) USER MOD Single : A 75 LYS NZ :NH3+ 149:sc= 0.457 (180deg=-1.51!) USER MOD Single : A 76 ASN : amide:sc= -0.791 K(o=-0.79,f=-0.049) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.488 X(o=-0.49,f=-0.19) USER MOD Single : A 86 LYS NZ :NH3+ -173:sc=-0.00249 (180deg=-0.0489) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 62 N ASP A 6 14.655 12.091 -2.158 1.00 0.94 N ATOM 63 CA ASP A 6 13.412 11.360 -2.292 1.00 0.82 C ATOM 64 C ASP A 6 12.229 12.323 -2.322 1.00 0.72 C ATOM 65 O ASP A 6 11.417 12.376 -1.402 1.00 0.76 O ATOM 66 CB ASP A 6 13.272 10.343 -1.141 1.00 0.88 C ATOM 67 CG ASP A 6 13.450 10.952 0.249 1.00 1.03 C ATOM 68 OD1 ASP A 6 14.067 12.040 0.370 1.00 1.40 O ATOM 69 OD2 ASP A 6 13.004 10.331 1.233 1.00 1.79 O ATOM 0 HA ASP A 6 13.421 10.812 -3.234 1.00 0.82 H new ATOM 0 HB2 ASP A 6 12.289 9.876 -1.199 1.00 0.88 H new ATOM 0 HB3 ASP A 6 14.009 9.551 -1.277 1.00 0.88 H new ATOM 74 N SER A 7 12.151 13.100 -3.391 1.00 0.68 N ATOM 75 CA SER A 7 11.047 14.025 -3.593 1.00 0.67 C ATOM 76 C SER A 7 9.737 13.257 -3.766 1.00 0.53 C ATOM 77 O SER A 7 9.678 12.316 -4.554 1.00 0.46 O ATOM 78 CB SER A 7 11.328 14.882 -4.823 1.00 0.77 C ATOM 79 OG SER A 7 12.648 15.398 -4.782 1.00 1.33 O ATOM 0 H SER A 7 12.846 13.108 -4.138 1.00 0.68 H new ATOM 0 HA SER A 7 10.951 14.670 -2.720 1.00 0.67 H new ATOM 0 HB2 SER A 7 11.193 14.287 -5.726 1.00 0.77 H new ATOM 0 HB3 SER A 7 10.612 15.703 -4.872 1.00 0.77 H new ATOM 0 HG SER A 7 12.811 15.944 -5.580 1.00 1.33 H new ATOM 85 N GLN A 8 8.701 13.659 -3.029 1.00 0.53 N ATOM 86 CA GLN A 8 7.476 12.861 -2.893 1.00 0.47 C ATOM 87 C GLN A 8 6.895 12.429 -4.239 1.00 0.48 C ATOM 88 O GLN A 8 6.546 11.261 -4.415 1.00 0.50 O ATOM 89 CB GLN A 8 6.423 13.629 -2.094 1.00 0.53 C ATOM 90 CG GLN A 8 6.881 14.006 -0.695 1.00 0.86 C ATOM 91 CD GLN A 8 5.811 14.725 0.099 1.00 1.25 C ATOM 92 OE1 GLN A 8 5.711 15.950 0.058 1.00 1.88 O ATOM 93 NE2 GLN A 8 5.004 13.969 0.830 1.00 1.57 N ATOM 0 H GLN A 8 8.684 14.538 -2.513 1.00 0.53 H new ATOM 0 HA GLN A 8 7.755 11.954 -2.357 1.00 0.47 H new ATOM 0 HB2 GLN A 8 6.156 14.536 -2.637 1.00 0.53 H new ATOM 0 HB3 GLN A 8 5.520 13.023 -2.021 1.00 0.53 H new ATOM 0 HG2 GLN A 8 7.180 13.104 -0.160 1.00 0.86 H new ATOM 0 HG3 GLN A 8 7.764 14.642 -0.766 1.00 0.86 H new ATOM 0 HE21 GLN A 8 5.121 12.956 0.836 1.00 1.57 H new ATOM 0 HE22 GLN A 8 4.266 14.401 1.386 1.00 1.57 H new ATOM 102 N GLU A 9 6.792 13.363 -5.179 1.00 0.54 N ATOM 103 CA GLU A 9 6.237 13.062 -6.497 1.00 0.59 C ATOM 104 C GLU A 9 7.094 12.031 -7.228 1.00 0.51 C ATOM 105 O GLU A 9 6.568 11.069 -7.791 1.00 0.50 O ATOM 106 CB GLU A 9 6.110 14.334 -7.332 1.00 0.73 C ATOM 107 CG GLU A 9 5.496 14.100 -8.701 1.00 1.34 C ATOM 108 CD GLU A 9 5.211 15.388 -9.433 1.00 1.57 C ATOM 109 OE1 GLU A 9 4.040 15.814 -9.460 1.00 1.45 O ATOM 110 OE2 GLU A 9 6.160 15.982 -9.989 1.00 2.17 O ATOM 0 H GLU A 9 7.084 14.332 -5.055 1.00 0.54 H new ATOM 0 HA GLU A 9 5.242 12.640 -6.354 1.00 0.59 H new ATOM 0 HB2 GLU A 9 5.502 15.057 -6.788 1.00 0.73 H new ATOM 0 HB3 GLU A 9 7.098 14.778 -7.456 1.00 0.73 H new ATOM 0 HG2 GLU A 9 6.171 13.488 -9.299 1.00 1.34 H new ATOM 0 HG3 GLU A 9 4.570 13.537 -8.589 1.00 1.34 H new ATOM 117 N LYS A 10 8.409 12.235 -7.220 1.00 0.50 N ATOM 118 CA LYS A 10 9.336 11.269 -7.802 1.00 0.48 C ATOM 119 C LYS A 10 9.176 9.916 -7.117 1.00 0.38 C ATOM 120 O LYS A 10 9.176 8.871 -7.768 1.00 0.38 O ATOM 121 CB LYS A 10 10.780 11.751 -7.651 1.00 0.58 C ATOM 122 CG LYS A 10 11.800 10.820 -8.285 1.00 0.75 C ATOM 123 CD LYS A 10 13.205 11.098 -7.778 1.00 1.63 C ATOM 124 CE LYS A 10 14.237 10.239 -8.490 1.00 2.14 C ATOM 125 NZ LYS A 10 13.899 8.792 -8.436 1.00 2.55 N ATOM 0 H LYS A 10 8.856 13.059 -6.818 1.00 0.50 H new ATOM 0 HA LYS A 10 9.107 11.169 -8.863 1.00 0.48 H new ATOM 0 HB2 LYS A 10 10.873 12.740 -8.101 1.00 0.58 H new ATOM 0 HB3 LYS A 10 11.009 11.860 -6.591 1.00 0.58 H new ATOM 0 HG2 LYS A 10 11.533 9.786 -8.068 1.00 0.75 H new ATOM 0 HG3 LYS A 10 11.774 10.936 -9.369 1.00 0.75 H new ATOM 0 HD2 LYS A 10 13.444 12.151 -7.925 1.00 1.63 H new ATOM 0 HD3 LYS A 10 13.250 10.908 -6.706 1.00 1.63 H new ATOM 0 HE2 LYS A 10 14.313 10.554 -9.531 1.00 2.14 H new ATOM 0 HE3 LYS A 10 15.215 10.399 -8.036 1.00 2.14 H new ATOM 0 HZ1 LYS A 10 14.700 8.235 -8.797 1.00 2.55 H new ATOM 0 HZ2 LYS A 10 13.702 8.518 -7.452 1.00 2.55 H new ATOM 0 HZ3 LYS A 10 13.059 8.610 -9.021 1.00 2.55 H new ATOM 139 N VAL A 11 9.028 9.957 -5.797 1.00 0.34 N ATOM 140 CA VAL A 11 8.834 8.754 -5.002 1.00 0.30 C ATOM 141 C VAL A 11 7.573 8.015 -5.438 1.00 0.27 C ATOM 142 O VAL A 11 7.646 6.870 -5.870 1.00 0.31 O ATOM 143 CB VAL A 11 8.743 9.094 -3.494 1.00 0.31 C ATOM 144 CG1 VAL A 11 8.362 7.873 -2.674 1.00 0.39 C ATOM 145 CG2 VAL A 11 10.059 9.662 -2.998 1.00 0.37 C ATOM 0 H VAL A 11 9.039 10.820 -5.253 1.00 0.34 H new ATOM 0 HA VAL A 11 9.697 8.109 -5.165 1.00 0.30 H new ATOM 0 HB VAL A 11 7.962 9.844 -3.370 1.00 0.31 H new ATOM 0 HG11 VAL A 11 8.307 8.145 -1.620 1.00 0.39 H new ATOM 0 HG12 VAL A 11 7.392 7.501 -3.004 1.00 0.39 H new ATOM 0 HG13 VAL A 11 9.114 7.095 -2.809 1.00 0.39 H new ATOM 0 HG21 VAL A 11 9.977 9.895 -1.936 1.00 0.37 H new ATOM 0 HG22 VAL A 11 10.851 8.929 -3.149 1.00 0.37 H new ATOM 0 HG23 VAL A 11 10.295 10.570 -3.552 1.00 0.37 H new ATOM 149 N ALA A 12 6.432 8.699 -5.382 1.00 0.26 N ATOM 150 CA ALA A 12 5.141 8.089 -5.708 1.00 0.27 C ATOM 151 C ALA A 12 5.151 7.489 -7.108 1.00 0.26 C ATOM 152 O ALA A 12 4.586 6.417 -7.351 1.00 0.31 O ATOM 153 CB ALA A 12 4.035 9.124 -5.589 1.00 0.35 C ATOM 0 H ALA A 12 6.374 9.681 -5.113 1.00 0.26 H new ATOM 0 HA ALA A 12 4.957 7.282 -4.999 1.00 0.27 H new ATOM 0 HB1 ALA A 12 3.078 8.663 -5.833 1.00 0.35 H new ATOM 0 HB2 ALA A 12 4.004 9.508 -4.569 1.00 0.35 H new ATOM 0 HB3 ALA A 12 4.229 9.945 -6.279 1.00 0.35 H new ATOM 159 N ASP A 13 5.811 8.185 -8.020 1.00 0.26 N ATOM 160 CA ASP A 13 5.933 7.729 -9.395 1.00 0.32 C ATOM 161 C ASP A 13 6.765 6.452 -9.467 1.00 0.30 C ATOM 162 O ASP A 13 6.456 5.536 -10.227 1.00 0.42 O ATOM 163 CB ASP A 13 6.581 8.819 -10.254 1.00 0.39 C ATOM 164 CG ASP A 13 6.591 8.473 -11.727 1.00 0.59 C ATOM 165 OD1 ASP A 13 5.661 8.897 -12.444 1.00 0.86 O ATOM 166 OD2 ASP A 13 7.522 7.776 -12.177 1.00 0.67 O ATOM 0 H ASP A 13 6.273 9.074 -7.830 1.00 0.26 H new ATOM 0 HA ASP A 13 4.934 7.516 -9.776 1.00 0.32 H new ATOM 0 HB2 ASP A 13 6.045 9.757 -10.109 1.00 0.39 H new ATOM 0 HB3 ASP A 13 7.605 8.981 -9.916 1.00 0.39 H new ATOM 171 N GLU A 14 7.813 6.394 -8.663 1.00 0.25 N ATOM 172 CA GLU A 14 8.735 5.273 -8.693 1.00 0.35 C ATOM 173 C GLU A 14 8.162 4.041 -7.996 1.00 0.28 C ATOM 174 O GLU A 14 8.361 2.922 -8.467 1.00 0.32 O ATOM 175 CB GLU A 14 10.074 5.672 -8.074 1.00 0.53 C ATOM 176 CG GLU A 14 11.147 4.607 -8.214 1.00 1.18 C ATOM 177 CD GLU A 14 12.539 5.166 -8.042 1.00 1.35 C ATOM 178 OE1 GLU A 14 13.125 5.611 -9.050 1.00 1.53 O ATOM 179 OE2 GLU A 14 13.054 5.170 -6.906 1.00 2.05 O ATOM 0 H GLU A 14 8.047 7.114 -7.979 1.00 0.25 H new ATOM 0 HA GLU A 14 8.894 5.005 -9.737 1.00 0.35 H new ATOM 0 HB2 GLU A 14 10.423 6.592 -8.544 1.00 0.53 H new ATOM 0 HB3 GLU A 14 9.926 5.890 -7.016 1.00 0.53 H new ATOM 0 HG2 GLU A 14 10.978 3.826 -7.473 1.00 1.18 H new ATOM 0 HG3 GLU A 14 11.065 4.139 -9.195 1.00 1.18 H new ATOM 186 N ILE A 15 7.445 4.229 -6.888 1.00 0.22 N ATOM 187 CA ILE A 15 6.917 3.084 -6.145 1.00 0.19 C ATOM 188 C ILE A 15 5.962 2.287 -7.024 1.00 0.17 C ATOM 189 O ILE A 15 6.068 1.066 -7.121 1.00 0.22 O ATOM 190 CB ILE A 15 6.159 3.463 -4.850 1.00 0.21 C ATOM 191 CG1 ILE A 15 6.692 4.741 -4.218 1.00 0.25 C ATOM 192 CG2 ILE A 15 6.276 2.327 -3.848 1.00 0.29 C ATOM 193 CD1 ILE A 15 8.105 4.622 -3.686 1.00 0.33 C ATOM 0 H ILE A 15 7.220 5.141 -6.492 1.00 0.22 H new ATOM 0 HA ILE A 15 7.792 2.501 -5.858 1.00 0.19 H new ATOM 0 HB ILE A 15 5.117 3.637 -5.120 1.00 0.21 H new ATOM 0 HG12 ILE A 15 6.659 5.541 -4.958 1.00 0.25 H new ATOM 0 HG13 ILE A 15 6.031 5.034 -3.402 1.00 0.25 H new ATOM 0 HG21 ILE A 15 5.743 2.591 -2.935 1.00 0.29 H new ATOM 0 HG22 ILE A 15 5.842 1.421 -4.272 1.00 0.29 H new ATOM 0 HG23 ILE A 15 7.327 2.152 -3.617 1.00 0.29 H new ATOM 0 HD11 ILE A 15 8.412 5.574 -3.252 1.00 0.33 H new ATOM 0 HD12 ILE A 15 8.142 3.846 -2.922 1.00 0.33 H new ATOM 0 HD13 ILE A 15 8.780 4.361 -4.501 1.00 0.33 H new ATOM 200 N SER A 16 5.050 2.997 -7.687 1.00 0.18 N ATOM 201 CA SER A 16 4.069 2.365 -8.562 1.00 0.25 C ATOM 202 C SER A 16 4.760 1.566 -9.662 1.00 0.22 C ATOM 203 O SER A 16 4.315 0.480 -10.029 1.00 0.30 O ATOM 204 CB SER A 16 3.139 3.417 -9.176 1.00 0.32 C ATOM 205 OG SER A 16 3.873 4.492 -9.739 1.00 0.30 O ATOM 0 H SER A 16 4.972 4.013 -7.633 1.00 0.18 H new ATOM 0 HA SER A 16 3.472 1.679 -7.961 1.00 0.25 H new ATOM 0 HB2 SER A 16 2.521 2.954 -9.946 1.00 0.32 H new ATOM 0 HB3 SER A 16 2.463 3.798 -8.411 1.00 0.32 H new ATOM 0 HG SER A 16 4.106 5.133 -9.035 1.00 0.30 H new ATOM 211 N PHE A 17 5.856 2.113 -10.171 1.00 0.18 N ATOM 212 CA PHE A 17 6.649 1.440 -11.188 1.00 0.24 C ATOM 213 C PHE A 17 7.346 0.210 -10.608 1.00 0.28 C ATOM 214 O PHE A 17 7.325 -0.862 -11.208 1.00 0.37 O ATOM 215 CB PHE A 17 7.682 2.409 -11.774 1.00 0.29 C ATOM 216 CG PHE A 17 8.684 1.747 -12.680 1.00 0.38 C ATOM 217 CD1 PHE A 17 10.009 1.617 -12.296 1.00 0.39 C ATOM 218 CD2 PHE A 17 8.297 1.256 -13.918 1.00 0.49 C ATOM 219 CE1 PHE A 17 10.929 1.011 -13.129 1.00 0.49 C ATOM 220 CE2 PHE A 17 9.213 0.651 -14.755 1.00 0.59 C ATOM 221 CZ PHE A 17 10.539 0.524 -14.346 1.00 0.58 C ATOM 0 H PHE A 17 6.217 3.026 -9.894 1.00 0.18 H new ATOM 0 HA PHE A 17 5.981 1.109 -11.983 1.00 0.24 H new ATOM 0 HB2 PHE A 17 7.162 3.189 -12.330 1.00 0.29 H new ATOM 0 HB3 PHE A 17 8.212 2.899 -10.957 1.00 0.29 H new ATOM 0 HD1 PHE A 17 10.326 1.994 -11.335 1.00 0.39 H new ATOM 0 HD2 PHE A 17 7.267 1.348 -14.231 1.00 0.49 H new ATOM 0 HE1 PHE A 17 11.959 0.921 -12.818 1.00 0.49 H new ATOM 0 HE2 PHE A 17 8.904 0.279 -15.720 1.00 0.59 H new ATOM 0 HZ PHE A 17 11.259 0.041 -14.990 1.00 0.58 H new ATOM 231 N ARG A 18 7.940 0.366 -9.427 1.00 0.24 N ATOM 232 CA ARG A 18 8.713 -0.708 -8.815 1.00 0.29 C ATOM 233 C ARG A 18 7.841 -1.886 -8.410 1.00 0.28 C ATOM 234 O ARG A 18 8.210 -3.036 -8.634 1.00 0.30 O ATOM 235 CB ARG A 18 9.507 -0.200 -7.611 1.00 0.37 C ATOM 236 CG ARG A 18 10.709 0.649 -7.990 1.00 0.41 C ATOM 237 CD ARG A 18 11.594 0.922 -6.785 1.00 0.57 C ATOM 238 NE ARG A 18 11.990 -0.316 -6.114 1.00 1.49 N ATOM 239 CZ ARG A 18 13.209 -0.550 -5.626 1.00 1.74 C ATOM 240 NH1 ARG A 18 14.165 0.367 -5.732 1.00 1.26 N ATOM 241 NH2 ARG A 18 13.469 -1.705 -5.024 1.00 2.83 N ATOM 0 H ARG A 18 7.900 1.224 -8.877 1.00 0.24 H new ATOM 0 HA ARG A 18 9.412 -1.060 -9.574 1.00 0.29 H new ATOM 0 HB2 ARG A 18 8.846 0.385 -6.971 1.00 0.37 H new ATOM 0 HB3 ARG A 18 9.846 -1.053 -7.024 1.00 0.37 H new ATOM 0 HG2 ARG A 18 11.288 0.140 -8.761 1.00 0.41 H new ATOM 0 HG3 ARG A 18 10.370 1.593 -8.416 1.00 0.41 H new ATOM 0 HD2 ARG A 18 12.484 1.465 -7.103 1.00 0.57 H new ATOM 0 HD3 ARG A 18 11.063 1.564 -6.082 1.00 0.57 H new ATOM 0 HE ARG A 18 11.288 -1.049 -6.013 1.00 1.49 H new ATOM 0 HH11 ARG A 18 13.969 1.258 -6.189 1.00 1.26 H new ATOM 0 HH12 ARG A 18 15.095 0.180 -5.356 1.00 1.26 H new ATOM 0 HH21 ARG A 18 12.737 -2.410 -4.936 1.00 2.83 H new ATOM 0 HH22 ARG A 18 14.400 -1.887 -4.650 1.00 2.83 H new ATOM 255 N LEU A 19 6.691 -1.610 -7.816 1.00 0.27 N ATOM 256 CA LEU A 19 5.790 -2.678 -7.418 1.00 0.25 C ATOM 257 C LEU A 19 4.991 -3.193 -8.601 1.00 0.28 C ATOM 258 O LEU A 19 4.316 -4.219 -8.501 1.00 0.38 O ATOM 259 CB LEU A 19 4.831 -2.232 -6.314 1.00 0.29 C ATOM 260 CG LEU A 19 5.445 -2.136 -4.919 1.00 0.35 C ATOM 261 CD1 LEU A 19 6.178 -3.417 -4.563 1.00 0.99 C ATOM 262 CD2 LEU A 19 6.383 -0.961 -4.829 1.00 0.63 C ATOM 0 H LEU A 19 6.363 -0.668 -7.601 1.00 0.27 H new ATOM 0 HA LEU A 19 6.415 -3.483 -7.030 1.00 0.25 H new ATOM 0 HB2 LEU A 19 4.422 -1.258 -6.582 1.00 0.29 H new ATOM 0 HB3 LEU A 19 3.994 -2.930 -6.278 1.00 0.29 H new ATOM 0 HG LEU A 19 4.634 -1.990 -4.205 1.00 0.35 H new ATOM 0 HD11 LEU A 19 6.607 -3.325 -3.565 1.00 0.99 H new ATOM 0 HD12 LEU A 19 5.479 -4.253 -4.582 1.00 0.99 H new ATOM 0 HD13 LEU A 19 6.975 -3.593 -5.286 1.00 0.99 H new ATOM 0 HD21 LEU A 19 6.809 -0.911 -3.827 1.00 0.63 H new ATOM 0 HD22 LEU A 19 7.184 -1.078 -5.559 1.00 0.63 H new ATOM 0 HD23 LEU A 19 5.835 -0.042 -5.036 1.00 0.63 H new ATOM 274 N GLN A 20 5.085 -2.472 -9.726 1.00 0.25 N ATOM 275 CA GLN A 20 4.230 -2.719 -10.885 1.00 0.28 C ATOM 276 C GLN A 20 2.779 -2.686 -10.431 1.00 0.28 C ATOM 277 O GLN A 20 1.913 -3.369 -10.981 1.00 0.35 O ATOM 278 CB GLN A 20 4.573 -4.062 -11.542 1.00 0.36 C ATOM 279 CG GLN A 20 6.000 -4.129 -12.065 1.00 0.88 C ATOM 280 CD GLN A 20 6.354 -5.480 -12.659 1.00 1.00 C ATOM 281 OE1 GLN A 20 7.512 -5.898 -12.627 1.00 1.36 O ATOM 282 NE2 GLN A 20 5.365 -6.175 -13.203 1.00 1.60 N ATOM 0 H GLN A 20 5.750 -1.709 -9.854 1.00 0.25 H new ATOM 0 HA GLN A 20 4.394 -1.945 -11.635 1.00 0.28 H new ATOM 0 HB2 GLN A 20 4.421 -4.862 -10.818 1.00 0.36 H new ATOM 0 HB3 GLN A 20 3.883 -4.242 -12.366 1.00 0.36 H new ATOM 0 HG2 GLN A 20 6.139 -3.358 -12.823 1.00 0.88 H new ATOM 0 HG3 GLN A 20 6.690 -3.905 -11.251 1.00 0.88 H new ATOM 0 HE21 GLN A 20 4.418 -5.795 -13.210 1.00 1.60 H new ATOM 0 HE22 GLN A 20 5.551 -7.090 -13.614 1.00 1.60 H new ATOM 291 N GLU A 21 2.547 -1.864 -9.413 1.00 0.29 N ATOM 292 CA GLU A 21 1.284 -1.855 -8.688 1.00 0.36 C ATOM 293 C GLU A 21 0.138 -1.309 -9.538 1.00 0.31 C ATOM 294 O GLU A 21 0.244 -0.256 -10.160 1.00 0.36 O ATOM 295 CB GLU A 21 1.421 -1.053 -7.386 1.00 0.53 C ATOM 296 CG GLU A 21 0.126 -0.983 -6.596 1.00 0.79 C ATOM 297 CD GLU A 21 0.318 -0.622 -5.139 1.00 0.70 C ATOM 298 OE1 GLU A 21 -0.141 0.465 -4.726 1.00 1.07 O ATOM 299 OE2 GLU A 21 0.861 -1.448 -4.386 1.00 1.31 O ATOM 0 H GLU A 21 3.228 -1.187 -9.069 1.00 0.29 H new ATOM 0 HA GLU A 21 1.040 -2.889 -8.444 1.00 0.36 H new ATOM 0 HB2 GLU A 21 2.195 -1.506 -6.766 1.00 0.53 H new ATOM 0 HB3 GLU A 21 1.752 -0.042 -7.621 1.00 0.53 H new ATOM 0 HG2 GLU A 21 -0.532 -0.248 -7.059 1.00 0.79 H new ATOM 0 HG3 GLU A 21 -0.379 -1.947 -6.658 1.00 0.79 H new ATOM 306 N PRO A 22 -0.972 -2.066 -9.570 1.00 0.27 N ATOM 307 CA PRO A 22 -2.215 -1.691 -10.269 1.00 0.28 C ATOM 308 C PRO A 22 -2.884 -0.450 -9.684 1.00 0.30 C ATOM 309 O PRO A 22 -3.162 0.520 -10.389 1.00 0.41 O ATOM 310 CB PRO A 22 -3.113 -2.915 -10.050 1.00 0.30 C ATOM 311 CG PRO A 22 -2.569 -3.541 -8.814 1.00 0.31 C ATOM 312 CD PRO A 22 -1.091 -3.387 -8.935 1.00 0.31 C ATOM 0 HA PRO A 22 -2.026 -1.441 -11.313 1.00 0.28 H new ATOM 0 HB2 PRO A 22 -4.157 -2.628 -9.926 1.00 0.30 H new ATOM 0 HB3 PRO A 22 -3.069 -3.599 -10.897 1.00 0.30 H new ATOM 0 HG2 PRO A 22 -2.947 -3.046 -7.919 1.00 0.31 H new ATOM 0 HG3 PRO A 22 -2.854 -4.591 -8.743 1.00 0.31 H new ATOM 0 HD2 PRO A 22 -0.597 -3.419 -7.964 1.00 0.31 H new ATOM 0 HD3 PRO A 22 -0.647 -4.174 -9.545 1.00 0.31 H new ATOM 320 N LYS A 23 -3.145 -0.499 -8.393 1.00 0.30 N ATOM 321 CA LYS A 23 -3.838 0.570 -7.698 1.00 0.35 C ATOM 322 C LYS A 23 -2.856 1.651 -7.258 1.00 0.34 C ATOM 323 O LYS A 23 -2.621 1.872 -6.071 1.00 0.45 O ATOM 324 CB LYS A 23 -4.616 -0.019 -6.530 1.00 0.42 C ATOM 325 CG LYS A 23 -3.835 -1.060 -5.759 1.00 0.44 C ATOM 326 CD LYS A 23 -3.370 -0.510 -4.435 1.00 0.77 C ATOM 327 CE LYS A 23 -2.422 -1.461 -3.766 1.00 0.73 C ATOM 328 NZ LYS A 23 -1.558 -0.779 -2.768 1.00 1.41 N ATOM 0 H LYS A 23 -2.883 -1.282 -7.794 1.00 0.30 H new ATOM 0 HA LYS A 23 -4.548 1.053 -8.369 1.00 0.35 H new ATOM 0 HB2 LYS A 23 -4.905 0.784 -5.853 1.00 0.42 H new ATOM 0 HB3 LYS A 23 -5.536 -0.468 -6.904 1.00 0.42 H new ATOM 0 HG2 LYS A 23 -4.458 -1.939 -5.594 1.00 0.44 H new ATOM 0 HG3 LYS A 23 -2.975 -1.384 -6.345 1.00 0.44 H new ATOM 0 HD2 LYS A 23 -2.880 0.452 -4.588 1.00 0.77 H new ATOM 0 HD3 LYS A 23 -4.229 -0.331 -3.789 1.00 0.77 H new ATOM 0 HE2 LYS A 23 -2.989 -2.251 -3.274 1.00 0.73 H new ATOM 0 HE3 LYS A 23 -1.797 -1.939 -4.520 1.00 0.73 H new ATOM 0 HZ1 LYS A 23 -0.693 -1.337 -2.619 1.00 1.41 H new ATOM 0 HZ2 LYS A 23 -1.304 0.167 -3.118 1.00 1.41 H new ATOM 0 HZ3 LYS A 23 -2.071 -0.689 -1.868 1.00 1.41 H new ATOM 342 N LYS A 24 -2.312 2.337 -8.252 1.00 0.29 N ATOM 343 CA LYS A 24 -1.241 3.308 -8.055 1.00 0.29 C ATOM 344 C LYS A 24 -1.682 4.483 -7.183 1.00 0.31 C ATOM 345 O LYS A 24 -0.846 5.195 -6.619 1.00 0.35 O ATOM 346 CB LYS A 24 -0.754 3.797 -9.416 1.00 0.31 C ATOM 347 CG LYS A 24 -0.536 2.657 -10.395 1.00 0.30 C ATOM 348 CD LYS A 24 0.079 3.136 -11.698 1.00 0.42 C ATOM 349 CE LYS A 24 0.469 1.966 -12.588 1.00 1.15 C ATOM 350 NZ LYS A 24 0.987 2.414 -13.909 1.00 1.75 N ATOM 0 H LYS A 24 -2.602 2.236 -9.225 1.00 0.29 H new ATOM 0 HA LYS A 24 -0.425 2.816 -7.526 1.00 0.29 H new ATOM 0 HB2 LYS A 24 -1.482 4.494 -9.831 1.00 0.31 H new ATOM 0 HB3 LYS A 24 0.178 4.347 -9.289 1.00 0.31 H new ATOM 0 HG2 LYS A 24 0.114 1.909 -9.941 1.00 0.30 H new ATOM 0 HG3 LYS A 24 -1.489 2.169 -10.601 1.00 0.30 H new ATOM 0 HD2 LYS A 24 -0.630 3.775 -12.224 1.00 0.42 H new ATOM 0 HD3 LYS A 24 0.959 3.743 -11.486 1.00 0.42 H new ATOM 0 HE2 LYS A 24 1.229 1.367 -12.086 1.00 1.15 H new ATOM 0 HE3 LYS A 24 -0.397 1.322 -12.739 1.00 1.15 H new ATOM 0 HZ1 LYS A 24 1.240 1.584 -14.482 1.00 1.75 H new ATOM 0 HZ2 LYS A 24 0.254 2.964 -14.401 1.00 1.75 H new ATOM 0 HZ3 LYS A 24 1.829 3.008 -13.768 1.00 1.75 H new ATOM 364 N ASP A 25 -2.992 4.683 -7.075 1.00 0.31 N ATOM 365 CA ASP A 25 -3.546 5.696 -6.181 1.00 0.38 C ATOM 366 C ASP A 25 -3.103 5.429 -4.748 1.00 0.31 C ATOM 367 O ASP A 25 -2.734 6.347 -4.012 1.00 0.34 O ATOM 368 CB ASP A 25 -5.077 5.700 -6.239 1.00 0.54 C ATOM 369 CG ASP A 25 -5.617 6.041 -7.610 1.00 1.32 C ATOM 370 OD1 ASP A 25 -5.688 5.137 -8.470 1.00 2.14 O ATOM 371 OD2 ASP A 25 -5.972 7.214 -7.841 1.00 1.87 O ATOM 0 H ASP A 25 -3.692 4.156 -7.597 1.00 0.31 H new ATOM 0 HA ASP A 25 -3.177 6.668 -6.507 1.00 0.38 H new ATOM 0 HB2 ASP A 25 -5.449 4.719 -5.942 1.00 0.54 H new ATOM 0 HB3 ASP A 25 -5.460 6.419 -5.515 1.00 0.54 H new ATOM 376 N LEU A 26 -3.124 4.157 -4.373 1.00 0.28 N ATOM 377 CA LEU A 26 -2.798 3.747 -3.018 1.00 0.31 C ATOM 378 C LEU A 26 -1.297 3.864 -2.762 1.00 0.25 C ATOM 379 O LEU A 26 -0.883 4.338 -1.706 1.00 0.24 O ATOM 380 CB LEU A 26 -3.278 2.308 -2.786 1.00 0.40 C ATOM 381 CG LEU A 26 -3.485 1.878 -1.325 1.00 0.58 C ATOM 382 CD1 LEU A 26 -2.159 1.709 -0.596 1.00 1.33 C ATOM 383 CD2 LEU A 26 -4.364 2.882 -0.606 1.00 1.18 C ATOM 0 H LEU A 26 -3.366 3.387 -4.996 1.00 0.28 H new ATOM 0 HA LEU A 26 -3.307 4.408 -2.317 1.00 0.31 H new ATOM 0 HB2 LEU A 26 -4.220 2.173 -3.317 1.00 0.40 H new ATOM 0 HB3 LEU A 26 -2.556 1.630 -3.241 1.00 0.40 H new ATOM 0 HG LEU A 26 -3.982 0.908 -1.328 1.00 0.58 H new ATOM 0 HD11 LEU A 26 -2.346 1.405 0.434 1.00 1.33 H new ATOM 0 HD12 LEU A 26 -1.563 0.946 -1.097 1.00 1.33 H new ATOM 0 HD13 LEU A 26 -1.617 2.655 -0.602 1.00 1.33 H new ATOM 0 HD21 LEU A 26 -4.504 2.568 0.428 1.00 1.18 H new ATOM 0 HD22 LEU A 26 -3.888 3.862 -0.626 1.00 1.18 H new ATOM 0 HD23 LEU A 26 -5.333 2.939 -1.103 1.00 1.18 H new ATOM 395 N ILE A 27 -0.491 3.436 -3.731 1.00 0.23 N ATOM 396 CA ILE A 27 0.962 3.451 -3.578 1.00 0.23 C ATOM 397 C ILE A 27 1.462 4.885 -3.371 1.00 0.22 C ATOM 398 O ILE A 27 2.437 5.118 -2.656 1.00 0.24 O ATOM 399 CB ILE A 27 1.670 2.780 -4.792 1.00 0.24 C ATOM 400 CG1 ILE A 27 3.007 2.159 -4.379 1.00 0.28 C ATOM 401 CG2 ILE A 27 1.881 3.760 -5.931 1.00 0.34 C ATOM 402 CD1 ILE A 27 2.874 1.117 -3.297 1.00 0.44 C ATOM 0 H ILE A 27 -0.818 3.076 -4.628 1.00 0.23 H new ATOM 0 HA ILE A 27 1.214 2.867 -2.693 1.00 0.23 H new ATOM 0 HB ILE A 27 1.011 1.987 -5.145 1.00 0.24 H new ATOM 0 HG12 ILE A 27 3.475 1.707 -5.253 1.00 0.28 H new ATOM 0 HG13 ILE A 27 3.674 2.948 -4.033 1.00 0.28 H new ATOM 0 HG21 ILE A 27 2.378 3.254 -6.759 1.00 0.34 H new ATOM 0 HG22 ILE A 27 0.917 4.142 -6.265 1.00 0.34 H new ATOM 0 HG23 ILE A 27 2.501 4.589 -5.588 1.00 0.34 H new ATOM 0 HD11 ILE A 27 3.859 0.718 -3.053 1.00 0.44 H new ATOM 0 HD12 ILE A 27 2.435 1.570 -2.408 1.00 0.44 H new ATOM 0 HD13 ILE A 27 2.232 0.309 -3.647 1.00 0.44 H new ATOM 409 N ALA A 28 0.768 5.846 -3.984 1.00 0.21 N ATOM 410 CA ALA A 28 1.067 7.256 -3.778 1.00 0.21 C ATOM 411 C ALA A 28 0.562 7.725 -2.421 1.00 0.21 C ATOM 412 O ALA A 28 1.179 8.571 -1.776 1.00 0.20 O ATOM 413 CB ALA A 28 0.456 8.105 -4.877 1.00 0.21 C ATOM 0 H ALA A 28 -0.004 5.669 -4.626 1.00 0.21 H new ATOM 0 HA ALA A 28 2.150 7.372 -3.808 1.00 0.21 H new ATOM 0 HB1 ALA A 28 0.693 9.154 -4.701 1.00 0.21 H new ATOM 0 HB2 ALA A 28 0.861 7.798 -5.841 1.00 0.21 H new ATOM 0 HB3 ALA A 28 -0.626 7.973 -4.880 1.00 0.21 H new ATOM 419 N ARG A 29 -0.572 7.181 -1.994 1.00 0.21 N ATOM 420 CA ARG A 29 -1.148 7.547 -0.708 1.00 0.21 C ATOM 421 C ARG A 29 -0.214 7.180 0.439 1.00 0.19 C ATOM 422 O ARG A 29 -0.077 7.942 1.396 1.00 0.17 O ATOM 423 CB ARG A 29 -2.498 6.878 -0.469 1.00 0.22 C ATOM 424 CG ARG A 29 -3.058 7.245 0.888 1.00 0.27 C ATOM 425 CD ARG A 29 -4.018 6.186 1.426 1.00 0.29 C ATOM 426 NE ARG A 29 -5.199 5.999 0.580 1.00 0.64 N ATOM 427 CZ ARG A 29 -6.438 6.338 0.941 1.00 1.11 C ATOM 428 NH1 ARG A 29 -6.649 7.029 2.057 1.00 1.48 N ATOM 429 NH2 ARG A 29 -7.466 5.996 0.174 1.00 1.47 N ATOM 0 H ARG A 29 -1.108 6.488 -2.517 1.00 0.21 H new ATOM 0 HA ARG A 29 -1.291 8.627 -0.738 1.00 0.21 H new ATOM 0 HB2 ARG A 29 -3.199 7.179 -1.248 1.00 0.22 H new ATOM 0 HB3 ARG A 29 -2.388 5.796 -0.539 1.00 0.22 H new ATOM 0 HG2 ARG A 29 -2.237 7.379 1.593 1.00 0.27 H new ATOM 0 HG3 ARG A 29 -3.578 8.201 0.818 1.00 0.27 H new ATOM 0 HD2 ARG A 29 -3.489 5.237 1.517 1.00 0.29 H new ATOM 0 HD3 ARG A 29 -4.338 6.470 2.429 1.00 0.29 H new ATOM 0 HE ARG A 29 -5.066 5.584 -0.342 1.00 0.64 H new ATOM 0 HH11 ARG A 29 -5.861 7.304 2.644 1.00 1.48 H new ATOM 0 HH12 ARG A 29 -7.599 7.285 2.327 1.00 1.48 H new ATOM 0 HH21 ARG A 29 -7.308 5.475 -0.689 1.00 1.47 H new ATOM 0 HH22 ARG A 29 -8.414 6.254 0.447 1.00 1.47 H new ATOM 443 N VAL A 30 0.409 6.006 0.351 1.00 0.21 N ATOM 444 CA VAL A 30 1.350 5.563 1.378 1.00 0.23 C ATOM 445 C VAL A 30 2.414 6.628 1.588 1.00 0.19 C ATOM 446 O VAL A 30 2.731 7.002 2.718 1.00 0.17 O ATOM 447 CB VAL A 30 2.034 4.236 0.993 1.00 0.34 C ATOM 448 CG1 VAL A 30 2.885 3.726 2.144 1.00 1.03 C ATOM 449 CG2 VAL A 30 1.006 3.194 0.584 1.00 1.10 C ATOM 0 H VAL A 30 0.280 5.347 -0.417 1.00 0.21 H new ATOM 0 HA VAL A 30 0.786 5.402 2.297 1.00 0.23 H new ATOM 0 HB VAL A 30 2.683 4.422 0.137 1.00 0.34 H new ATOM 0 HG11 VAL A 30 3.361 2.789 1.857 1.00 1.03 H new ATOM 0 HG12 VAL A 30 3.651 4.463 2.385 1.00 1.03 H new ATOM 0 HG13 VAL A 30 2.254 3.560 3.017 1.00 1.03 H new ATOM 0 HG21 VAL A 30 1.514 2.267 0.317 1.00 1.10 H new ATOM 0 HG22 VAL A 30 0.325 3.009 1.415 1.00 1.10 H new ATOM 0 HG23 VAL A 30 0.441 3.558 -0.274 1.00 1.10 H new ATOM 453 N VAL A 31 2.916 7.132 0.469 1.00 0.19 N ATOM 454 CA VAL A 31 3.856 8.243 0.446 1.00 0.19 C ATOM 455 C VAL A 31 3.309 9.429 1.230 1.00 0.17 C ATOM 456 O VAL A 31 3.974 9.978 2.107 1.00 0.20 O ATOM 457 CB VAL A 31 4.080 8.701 -1.003 1.00 0.20 C ATOM 458 CG1 VAL A 31 4.977 9.932 -1.060 1.00 0.20 C ATOM 459 CG2 VAL A 31 4.664 7.577 -1.844 1.00 0.22 C ATOM 0 H VAL A 31 2.679 6.777 -0.457 1.00 0.19 H new ATOM 0 HA VAL A 31 4.789 7.903 0.894 1.00 0.19 H new ATOM 0 HB VAL A 31 3.109 8.971 -1.417 1.00 0.20 H new ATOM 0 HG11 VAL A 31 5.117 10.232 -2.098 1.00 0.20 H new ATOM 0 HG12 VAL A 31 4.512 10.747 -0.506 1.00 0.20 H new ATOM 0 HG13 VAL A 31 5.945 9.698 -0.616 1.00 0.20 H new ATOM 0 HG21 VAL A 31 4.813 7.927 -2.866 1.00 0.22 H new ATOM 0 HG22 VAL A 31 5.621 7.267 -1.423 1.00 0.22 H new ATOM 0 HG23 VAL A 31 3.978 6.730 -1.847 1.00 0.22 H new ATOM 463 N ARG A 32 2.086 9.806 0.894 1.00 0.16 N ATOM 464 CA ARG A 32 1.427 10.955 1.491 1.00 0.19 C ATOM 465 C ARG A 32 1.286 10.802 3.010 1.00 0.18 C ATOM 466 O ARG A 32 1.513 11.749 3.763 1.00 0.23 O ATOM 467 CB ARG A 32 0.051 11.140 0.846 1.00 0.26 C ATOM 468 CG ARG A 32 -0.782 12.245 1.464 1.00 1.08 C ATOM 469 CD ARG A 32 -2.113 12.389 0.753 1.00 1.37 C ATOM 470 NE ARG A 32 -3.009 13.297 1.458 1.00 2.21 N ATOM 471 CZ ARG A 32 -4.068 13.885 0.904 1.00 2.78 C ATOM 472 NH1 ARG A 32 -4.352 13.685 -0.375 1.00 2.81 N ATOM 473 NH2 ARG A 32 -4.843 14.675 1.631 1.00 3.75 N ATOM 0 H ARG A 32 1.521 9.321 0.197 1.00 0.16 H new ATOM 0 HA ARG A 32 2.042 11.836 1.309 1.00 0.19 H new ATOM 0 HB2 ARG A 32 0.185 11.352 -0.215 1.00 0.26 H new ATOM 0 HB3 ARG A 32 -0.500 10.202 0.917 1.00 0.26 H new ATOM 0 HG2 ARG A 32 -0.951 12.030 2.519 1.00 1.08 H new ATOM 0 HG3 ARG A 32 -0.236 13.187 1.414 1.00 1.08 H new ATOM 0 HD2 ARG A 32 -1.946 12.757 -0.259 1.00 1.37 H new ATOM 0 HD3 ARG A 32 -2.585 11.410 0.663 1.00 1.37 H new ATOM 0 HE ARG A 32 -2.812 13.495 2.439 1.00 2.21 H new ATOM 0 HH11 ARG A 32 -3.758 13.078 -0.940 1.00 2.81 H new ATOM 0 HH12 ARG A 32 -5.164 14.138 -0.794 1.00 2.81 H new ATOM 0 HH21 ARG A 32 -4.629 14.833 2.616 1.00 3.75 H new ATOM 0 HH22 ARG A 32 -5.654 15.125 1.206 1.00 3.75 H new ATOM 487 N ILE A 33 0.912 9.607 3.449 1.00 0.16 N ATOM 488 CA ILE A 33 0.617 9.367 4.858 1.00 0.17 C ATOM 489 C ILE A 33 1.879 9.290 5.727 1.00 0.18 C ATOM 490 O ILE A 33 1.992 10.006 6.725 1.00 0.22 O ATOM 491 CB ILE A 33 -0.213 8.078 5.046 1.00 0.21 C ATOM 492 CG1 ILE A 33 -1.524 8.160 4.254 1.00 0.30 C ATOM 493 CG2 ILE A 33 -0.502 7.837 6.525 1.00 0.21 C ATOM 494 CD1 ILE A 33 -2.456 9.255 4.727 1.00 0.80 C ATOM 0 H ILE A 33 0.805 8.788 2.850 1.00 0.16 H new ATOM 0 HA ILE A 33 0.035 10.227 5.189 1.00 0.17 H new ATOM 0 HB ILE A 33 0.369 7.239 4.665 1.00 0.21 H new ATOM 0 HG12 ILE A 33 -1.292 8.323 3.201 1.00 0.30 H new ATOM 0 HG13 ILE A 33 -2.040 7.202 4.323 1.00 0.30 H new ATOM 0 HG21 ILE A 33 -1.088 6.925 6.637 1.00 0.21 H new ATOM 0 HG22 ILE A 33 0.438 7.734 7.067 1.00 0.21 H new ATOM 0 HG23 ILE A 33 -1.063 8.680 6.928 1.00 0.21 H new ATOM 0 HD11 ILE A 33 -3.361 9.250 4.119 1.00 0.80 H new ATOM 0 HD12 ILE A 33 -2.719 9.083 5.771 1.00 0.80 H new ATOM 0 HD13 ILE A 33 -1.960 10.221 4.632 1.00 0.80 H new ATOM 501 N ILE A 34 2.833 8.441 5.353 1.00 0.20 N ATOM 502 CA ILE A 34 3.986 8.184 6.219 1.00 0.25 C ATOM 503 C ILE A 34 5.186 9.046 5.850 1.00 0.23 C ATOM 504 O ILE A 34 6.192 9.062 6.564 1.00 0.30 O ATOM 505 CB ILE A 34 4.410 6.698 6.213 1.00 0.30 C ATOM 506 CG1 ILE A 34 4.828 6.242 4.809 1.00 0.26 C ATOM 507 CG2 ILE A 34 3.285 5.826 6.745 1.00 0.40 C ATOM 508 CD1 ILE A 34 5.259 4.790 4.740 1.00 0.34 C ATOM 0 H ILE A 34 2.835 7.926 4.472 1.00 0.20 H new ATOM 0 HA ILE A 34 3.656 8.448 7.224 1.00 0.25 H new ATOM 0 HB ILE A 34 5.275 6.592 6.867 1.00 0.30 H new ATOM 0 HG12 ILE A 34 3.995 6.397 4.124 1.00 0.26 H new ATOM 0 HG13 ILE A 34 5.647 6.871 4.462 1.00 0.26 H new ATOM 0 HG21 ILE A 34 3.598 4.782 6.735 1.00 0.40 H new ATOM 0 HG22 ILE A 34 3.046 6.123 7.766 1.00 0.40 H new ATOM 0 HG23 ILE A 34 2.403 5.946 6.116 1.00 0.40 H new ATOM 0 HD11 ILE A 34 5.539 4.542 3.716 1.00 0.34 H new ATOM 0 HD12 ILE A 34 6.113 4.632 5.399 1.00 0.34 H new ATOM 0 HD13 ILE A 34 4.435 4.150 5.055 1.00 0.34 H new ATOM 515 N GLY A 35 5.082 9.761 4.745 1.00 0.23 N ATOM 516 CA GLY A 35 6.160 10.630 4.334 1.00 0.24 C ATOM 517 C GLY A 35 6.989 10.032 3.220 1.00 0.22 C ATOM 518 O GLY A 35 6.960 8.821 2.992 1.00 0.26 O ATOM 0 H GLY A 35 4.272 9.756 4.125 1.00 0.23 H new ATOM 0 HA2 GLY A 35 5.749 11.584 4.005 1.00 0.24 H new ATOM 0 HA3 GLY A 35 6.802 10.838 5.190 1.00 0.24 H new ATOM 522 N ASN A 36 7.740 10.885 2.542 1.00 0.30 N ATOM 523 CA ASN A 36 8.563 10.473 1.412 1.00 0.34 C ATOM 524 C ASN A 36 9.653 9.500 1.838 1.00 0.27 C ATOM 525 O ASN A 36 9.897 8.497 1.163 1.00 0.27 O ATOM 526 CB ASN A 36 9.196 11.691 0.725 1.00 0.46 C ATOM 527 CG ASN A 36 9.978 12.596 1.675 1.00 0.55 C ATOM 528 OD1 ASN A 36 9.623 12.758 2.846 1.00 0.91 O ATOM 529 ND2 ASN A 36 11.054 13.187 1.179 1.00 0.71 N ATOM 0 H ASN A 36 7.798 11.880 2.757 1.00 0.30 H new ATOM 0 HA ASN A 36 7.907 9.965 0.705 1.00 0.34 H new ATOM 0 HB2 ASN A 36 9.863 11.345 -0.065 1.00 0.46 H new ATOM 0 HB3 ASN A 36 8.411 12.275 0.245 1.00 0.46 H new ATOM 0 HD21 ASN A 36 11.618 13.798 1.770 1.00 0.71 H new ATOM 0 HD22 ASN A 36 11.319 13.031 0.206 1.00 0.71 H new ATOM 536 N LYS A 37 10.289 9.776 2.969 1.00 0.31 N ATOM 537 CA LYS A 37 11.411 8.968 3.414 1.00 0.33 C ATOM 538 C LYS A 37 10.958 7.566 3.791 1.00 0.27 C ATOM 539 O LYS A 37 11.524 6.583 3.320 1.00 0.31 O ATOM 540 CB LYS A 37 12.133 9.624 4.591 1.00 0.46 C ATOM 541 CG LYS A 37 13.347 8.834 5.050 1.00 1.24 C ATOM 542 CD LYS A 37 14.165 9.588 6.083 1.00 1.85 C ATOM 543 CE LYS A 37 13.377 9.846 7.355 1.00 2.58 C ATOM 544 NZ LYS A 37 14.235 10.433 8.415 1.00 3.19 N ATOM 0 H LYS A 37 10.047 10.548 3.590 1.00 0.31 H new ATOM 0 HA LYS A 37 12.111 8.894 2.582 1.00 0.33 H new ATOM 0 HB2 LYS A 37 12.445 10.629 4.306 1.00 0.46 H new ATOM 0 HB3 LYS A 37 11.438 9.731 5.424 1.00 0.46 H new ATOM 0 HG2 LYS A 37 13.021 7.883 5.471 1.00 1.24 H new ATOM 0 HG3 LYS A 37 13.975 8.604 4.189 1.00 1.24 H new ATOM 0 HD2 LYS A 37 15.062 9.017 6.322 1.00 1.85 H new ATOM 0 HD3 LYS A 37 14.494 10.538 5.662 1.00 1.85 H new ATOM 0 HE2 LYS A 37 12.548 10.521 7.141 1.00 2.58 H new ATOM 0 HE3 LYS A 37 12.943 8.912 7.712 1.00 2.58 H new ATOM 0 HZ1 LYS A 37 13.667 10.597 9.270 1.00 3.19 H new ATOM 0 HZ2 LYS A 37 15.012 9.777 8.636 1.00 3.19 H new ATOM 0 HZ3 LYS A 37 14.629 11.336 8.082 1.00 3.19 H new ATOM 558 N LYS A 38 9.925 7.474 4.624 1.00 0.27 N ATOM 559 CA LYS A 38 9.408 6.178 5.051 1.00 0.27 C ATOM 560 C LYS A 38 8.898 5.361 3.873 1.00 0.24 C ATOM 561 O LYS A 38 8.888 4.134 3.929 1.00 0.32 O ATOM 562 CB LYS A 38 8.307 6.332 6.097 1.00 0.36 C ATOM 563 CG LYS A 38 8.798 6.150 7.524 1.00 1.07 C ATOM 564 CD LYS A 38 9.431 4.778 7.735 1.00 1.33 C ATOM 565 CE LYS A 38 8.450 3.654 7.429 1.00 1.33 C ATOM 566 NZ LYS A 38 9.037 2.307 7.665 1.00 2.45 N ATOM 0 H LYS A 38 9.432 8.277 5.015 1.00 0.27 H new ATOM 0 HA LYS A 38 10.242 5.641 5.504 1.00 0.27 H new ATOM 0 HB2 LYS A 38 7.859 7.321 5.999 1.00 0.36 H new ATOM 0 HB3 LYS A 38 7.521 5.604 5.896 1.00 0.36 H new ATOM 0 HG2 LYS A 38 9.526 6.926 7.760 1.00 1.07 H new ATOM 0 HG3 LYS A 38 7.964 6.275 8.214 1.00 1.07 H new ATOM 0 HD2 LYS A 38 10.309 4.680 7.096 1.00 1.33 H new ATOM 0 HD3 LYS A 38 9.776 4.690 8.765 1.00 1.33 H new ATOM 0 HE2 LYS A 38 7.561 3.773 8.048 1.00 1.33 H new ATOM 0 HE3 LYS A 38 8.128 3.730 6.391 1.00 1.33 H new ATOM 0 HZ1 LYS A 38 8.276 1.626 7.861 1.00 2.45 H new ATOM 0 HZ2 LYS A 38 9.563 2.005 6.820 1.00 2.45 H new ATOM 0 HZ3 LYS A 38 9.683 2.348 8.479 1.00 2.45 H new ATOM 580 N ALA A 39 8.482 6.036 2.812 1.00 0.20 N ATOM 581 CA ALA A 39 8.056 5.346 1.604 1.00 0.22 C ATOM 582 C ALA A 39 9.247 4.654 0.951 1.00 0.24 C ATOM 583 O ALA A 39 9.177 3.472 0.628 1.00 0.29 O ATOM 584 CB ALA A 39 7.398 6.317 0.637 1.00 0.26 C ATOM 0 H ALA A 39 8.430 7.053 2.763 1.00 0.20 H new ATOM 0 HA ALA A 39 7.319 4.589 1.873 1.00 0.22 H new ATOM 0 HB1 ALA A 39 7.086 5.782 -0.260 1.00 0.26 H new ATOM 0 HB2 ALA A 39 6.527 6.769 1.111 1.00 0.26 H new ATOM 0 HB3 ALA A 39 8.109 7.098 0.365 1.00 0.26 H new ATOM 590 N ILE A 40 10.351 5.385 0.810 1.00 0.24 N ATOM 591 CA ILE A 40 11.581 4.829 0.241 1.00 0.32 C ATOM 592 C ILE A 40 12.154 3.763 1.166 1.00 0.30 C ATOM 593 O ILE A 40 12.661 2.731 0.711 1.00 0.35 O ATOM 594 CB ILE A 40 12.641 5.929 -0.003 1.00 0.42 C ATOM 595 CG1 ILE A 40 12.094 6.995 -0.959 1.00 0.55 C ATOM 596 CG2 ILE A 40 13.930 5.327 -0.554 1.00 0.52 C ATOM 597 CD1 ILE A 40 11.735 6.462 -2.331 1.00 1.13 C ATOM 0 H ILE A 40 10.421 6.366 1.082 1.00 0.24 H new ATOM 0 HA ILE A 40 11.327 4.381 -0.720 1.00 0.32 H new ATOM 0 HB ILE A 40 12.869 6.403 0.952 1.00 0.42 H new ATOM 0 HG12 ILE A 40 11.209 7.449 -0.513 1.00 0.55 H new ATOM 0 HG13 ILE A 40 12.836 7.785 -1.070 1.00 0.55 H new ATOM 0 HG21 ILE A 40 14.661 6.119 -0.718 1.00 0.52 H new ATOM 0 HG22 ILE A 40 14.330 4.607 0.160 1.00 0.52 H new ATOM 0 HG23 ILE A 40 13.722 4.824 -1.499 1.00 0.52 H new ATOM 0 HD11 ILE A 40 11.356 7.275 -2.949 1.00 1.13 H new ATOM 0 HD12 ILE A 40 12.622 6.034 -2.798 1.00 1.13 H new ATOM 0 HD13 ILE A 40 10.969 5.693 -2.233 1.00 1.13 H new ATOM 604 N GLU A 41 12.056 4.012 2.464 1.00 0.28 N ATOM 605 CA GLU A 41 12.450 3.034 3.462 1.00 0.32 C ATOM 606 C GLU A 41 11.697 1.729 3.240 1.00 0.31 C ATOM 607 O GLU A 41 12.268 0.651 3.368 1.00 0.37 O ATOM 608 CB GLU A 41 12.180 3.558 4.875 1.00 0.38 C ATOM 609 CG GLU A 41 13.059 4.730 5.273 1.00 0.79 C ATOM 610 CD GLU A 41 14.526 4.362 5.330 1.00 1.42 C ATOM 611 OE1 GLU A 41 15.259 4.700 4.376 1.00 2.10 O ATOM 612 OE2 GLU A 41 14.953 3.734 6.317 1.00 1.57 O ATOM 0 H GLU A 41 11.705 4.888 2.850 1.00 0.28 H new ATOM 0 HA GLU A 41 13.520 2.853 3.360 1.00 0.32 H new ATOM 0 HB2 GLU A 41 11.135 3.859 4.947 1.00 0.38 H new ATOM 0 HB3 GLU A 41 12.328 2.747 5.588 1.00 0.38 H new ATOM 0 HG2 GLU A 41 12.919 5.543 4.561 1.00 0.79 H new ATOM 0 HG3 GLU A 41 12.743 5.102 6.248 1.00 0.79 H new ATOM 619 N LEU A 42 10.421 1.842 2.876 1.00 0.26 N ATOM 620 CA LEU A 42 9.579 0.675 2.657 1.00 0.25 C ATOM 621 C LEU A 42 10.086 -0.191 1.507 1.00 0.24 C ATOM 622 O LEU A 42 10.122 -1.409 1.635 1.00 0.26 O ATOM 623 CB LEU A 42 8.117 1.068 2.421 1.00 0.25 C ATOM 624 CG LEU A 42 7.340 1.484 3.672 1.00 0.28 C ATOM 625 CD1 LEU A 42 5.874 1.704 3.342 1.00 0.29 C ATOM 626 CD2 LEU A 42 7.483 0.434 4.761 1.00 0.28 C ATOM 0 H LEU A 42 9.950 2.734 2.727 1.00 0.26 H new ATOM 0 HA LEU A 42 9.632 0.083 3.571 1.00 0.25 H new ATOM 0 HB2 LEU A 42 8.090 1.891 1.707 1.00 0.25 H new ATOM 0 HB3 LEU A 42 7.602 0.226 1.957 1.00 0.25 H new ATOM 0 HG LEU A 42 7.757 2.423 4.037 1.00 0.28 H new ATOM 0 HD11 LEU A 42 5.338 1.999 4.244 1.00 0.29 H new ATOM 0 HD12 LEU A 42 5.784 2.490 2.593 1.00 0.29 H new ATOM 0 HD13 LEU A 42 5.446 0.780 2.952 1.00 0.29 H new ATOM 0 HD21 LEU A 42 6.924 0.746 5.643 1.00 0.28 H new ATOM 0 HD22 LEU A 42 7.092 -0.518 4.402 1.00 0.28 H new ATOM 0 HD23 LEU A 42 8.536 0.320 5.020 1.00 0.28 H new ATOM 638 N LEU A 43 10.493 0.403 0.389 1.00 0.28 N ATOM 639 CA LEU A 43 11.005 -0.409 -0.715 1.00 0.33 C ATOM 640 C LEU A 43 12.290 -1.136 -0.314 1.00 0.31 C ATOM 641 O LEU A 43 12.596 -2.195 -0.848 1.00 0.38 O ATOM 642 CB LEU A 43 11.181 0.342 -2.049 1.00 0.46 C ATOM 643 CG LEU A 43 11.473 1.835 -2.007 1.00 0.52 C ATOM 644 CD1 LEU A 43 12.240 2.233 -3.252 1.00 1.36 C ATOM 645 CD2 LEU A 43 10.182 2.628 -1.952 1.00 1.24 C ATOM 0 H LEU A 43 10.481 1.409 0.223 1.00 0.28 H new ATOM 0 HA LEU A 43 10.223 -1.143 -0.910 1.00 0.33 H new ATOM 0 HB2 LEU A 43 11.991 -0.139 -2.596 1.00 0.46 H new ATOM 0 HB3 LEU A 43 10.272 0.198 -2.633 1.00 0.46 H new ATOM 0 HG LEU A 43 12.062 2.049 -1.115 1.00 0.52 H new ATOM 0 HD11 LEU A 43 12.450 3.302 -3.224 1.00 1.36 H new ATOM 0 HD12 LEU A 43 13.178 1.680 -3.294 1.00 1.36 H new ATOM 0 HD13 LEU A 43 11.644 2.004 -4.135 1.00 1.36 H new ATOM 0 HD21 LEU A 43 10.410 3.693 -1.922 1.00 1.24 H new ATOM 0 HD22 LEU A 43 9.583 2.410 -2.836 1.00 1.24 H new ATOM 0 HD23 LEU A 43 9.623 2.352 -1.058 1.00 1.24 H new ATOM 657 N MET A 44 13.055 -0.563 0.606 1.00 0.28 N ATOM 658 CA MET A 44 14.185 -1.284 1.190 1.00 0.32 C ATOM 659 C MET A 44 13.678 -2.351 2.166 1.00 0.34 C ATOM 660 O MET A 44 14.229 -3.451 2.251 1.00 0.44 O ATOM 661 CB MET A 44 15.143 -0.325 1.902 1.00 0.33 C ATOM 662 CG MET A 44 15.883 0.608 0.959 1.00 0.93 C ATOM 663 SD MET A 44 16.996 1.739 1.818 1.00 1.99 S ATOM 664 CE MET A 44 18.142 0.577 2.557 1.00 2.20 C ATOM 0 H MET A 44 12.920 0.383 0.961 1.00 0.28 H new ATOM 0 HA MET A 44 14.734 -1.770 0.383 1.00 0.32 H new ATOM 0 HB2 MET A 44 14.580 0.270 2.621 1.00 0.33 H new ATOM 0 HB3 MET A 44 15.870 -0.906 2.469 1.00 0.33 H new ATOM 0 HG2 MET A 44 16.455 0.016 0.245 1.00 0.93 H new ATOM 0 HG3 MET A 44 15.158 1.186 0.385 1.00 0.93 H new ATOM 0 HE1 MET A 44 19.061 1.096 2.830 1.00 2.20 H new ATOM 0 HE2 MET A 44 17.693 0.141 3.449 1.00 2.20 H new ATOM 0 HE3 MET A 44 18.370 -0.214 1.842 1.00 2.20 H new ATOM 674 N GLU A 45 12.612 -2.014 2.884 1.00 0.32 N ATOM 675 CA GLU A 45 11.971 -2.928 3.827 1.00 0.42 C ATOM 676 C GLU A 45 11.339 -4.130 3.112 1.00 0.42 C ATOM 677 O GLU A 45 11.178 -5.190 3.715 1.00 0.53 O ATOM 678 CB GLU A 45 10.928 -2.176 4.675 1.00 0.48 C ATOM 679 CG GLU A 45 11.546 -1.288 5.748 1.00 1.12 C ATOM 680 CD GLU A 45 10.557 -0.326 6.389 1.00 1.39 C ATOM 681 OE1 GLU A 45 10.780 0.903 6.347 1.00 1.78 O ATOM 682 OE2 GLU A 45 9.524 -0.797 6.913 1.00 1.83 O ATOM 0 H GLU A 45 12.166 -1.098 2.830 1.00 0.32 H new ATOM 0 HA GLU A 45 12.741 -3.320 4.491 1.00 0.42 H new ATOM 0 HB2 GLU A 45 10.310 -1.563 4.018 1.00 0.48 H new ATOM 0 HB3 GLU A 45 10.267 -2.900 5.150 1.00 0.48 H new ATOM 0 HG2 GLU A 45 11.980 -1.919 6.523 1.00 1.12 H new ATOM 0 HG3 GLU A 45 12.363 -0.716 5.308 1.00 1.12 H new ATOM 689 N THR A 46 10.974 -3.972 1.833 1.00 0.35 N ATOM 690 CA THR A 46 10.426 -5.089 1.059 1.00 0.42 C ATOM 691 C THR A 46 11.392 -6.268 1.084 1.00 0.52 C ATOM 692 O THR A 46 10.980 -7.418 1.219 1.00 0.57 O ATOM 693 CB THR A 46 10.133 -4.731 -0.418 1.00 0.46 C ATOM 694 OG1 THR A 46 11.348 -4.415 -1.105 1.00 1.03 O ATOM 695 CG2 THR A 46 9.163 -3.566 -0.534 1.00 0.66 C ATOM 0 H THR A 46 11.047 -3.094 1.320 1.00 0.35 H new ATOM 0 HA THR A 46 9.478 -5.344 1.533 1.00 0.42 H new ATOM 0 HB THR A 46 9.670 -5.604 -0.878 1.00 0.46 H new ATOM 0 HG1 THR A 46 11.523 -3.453 -1.035 1.00 1.03 H new ATOM 0 HG21 THR A 46 8.983 -3.346 -1.586 1.00 0.66 H new ATOM 0 HG22 THR A 46 8.221 -3.827 -0.052 1.00 0.66 H new ATOM 0 HG23 THR A 46 9.588 -2.688 -0.047 1.00 0.66 H new ATOM 703 N ALA A 47 12.683 -5.962 0.982 1.00 0.58 N ATOM 704 CA ALA A 47 13.723 -6.978 1.026 1.00 0.71 C ATOM 705 C ALA A 47 13.697 -7.722 2.351 1.00 0.76 C ATOM 706 O ALA A 47 14.013 -8.909 2.418 1.00 0.88 O ATOM 707 CB ALA A 47 15.086 -6.355 0.800 1.00 0.78 C ATOM 0 H ALA A 47 13.032 -5.011 0.868 1.00 0.58 H new ATOM 0 HA ALA A 47 13.530 -7.694 0.227 1.00 0.71 H new ATOM 0 HB1 ALA A 47 15.851 -7.131 0.836 1.00 0.78 H new ATOM 0 HB2 ALA A 47 15.107 -5.870 -0.176 1.00 0.78 H new ATOM 0 HB3 ALA A 47 15.281 -5.616 1.577 1.00 0.78 H new ATOM 713 N GLU A 48 13.327 -7.017 3.407 1.00 0.74 N ATOM 714 CA GLU A 48 13.229 -7.623 4.719 1.00 0.85 C ATOM 715 C GLU A 48 12.024 -8.560 4.771 1.00 0.78 C ATOM 716 O GLU A 48 12.023 -9.533 5.511 1.00 0.94 O ATOM 717 CB GLU A 48 13.162 -6.554 5.811 1.00 0.94 C ATOM 718 CG GLU A 48 14.357 -5.606 5.784 1.00 1.48 C ATOM 719 CD GLU A 48 14.500 -4.791 7.053 1.00 1.79 C ATOM 720 OE1 GLU A 48 13.853 -3.732 7.166 1.00 2.51 O ATOM 721 OE2 GLU A 48 15.271 -5.208 7.944 1.00 1.88 O ATOM 0 H GLU A 48 13.090 -6.025 3.379 1.00 0.74 H new ATOM 0 HA GLU A 48 14.126 -8.214 4.904 1.00 0.85 H new ATOM 0 HB2 GLU A 48 12.244 -5.978 5.693 1.00 0.94 H new ATOM 0 HB3 GLU A 48 13.111 -7.039 6.786 1.00 0.94 H new ATOM 0 HG2 GLU A 48 15.268 -6.184 5.626 1.00 1.48 H new ATOM 0 HG3 GLU A 48 14.257 -4.930 4.935 1.00 1.48 H new ATOM 728 N VAL A 49 11.007 -8.271 3.965 1.00 0.60 N ATOM 729 CA VAL A 49 9.897 -9.204 3.775 1.00 0.55 C ATOM 730 C VAL A 49 10.378 -10.427 3.003 1.00 0.65 C ATOM 731 O VAL A 49 10.058 -11.570 3.352 1.00 0.76 O ATOM 732 CB VAL A 49 8.710 -8.552 3.020 1.00 0.47 C ATOM 733 CG1 VAL A 49 7.674 -9.594 2.639 1.00 0.57 C ATOM 734 CG2 VAL A 49 8.064 -7.479 3.874 1.00 0.59 C ATOM 0 H VAL A 49 10.927 -7.403 3.435 1.00 0.60 H new ATOM 0 HA VAL A 49 9.543 -9.497 4.763 1.00 0.55 H new ATOM 0 HB VAL A 49 9.101 -8.097 2.110 1.00 0.47 H new ATOM 0 HG11 VAL A 49 6.851 -9.113 2.111 1.00 0.57 H new ATOM 0 HG12 VAL A 49 8.132 -10.343 1.993 1.00 0.57 H new ATOM 0 HG13 VAL A 49 7.294 -10.076 3.540 1.00 0.57 H new ATOM 0 HG21 VAL A 49 7.233 -7.032 3.329 1.00 0.59 H new ATOM 0 HG22 VAL A 49 7.695 -7.923 4.798 1.00 0.59 H new ATOM 0 HG23 VAL A 49 8.799 -6.710 4.110 1.00 0.59 H new ATOM 738 N GLU A 50 11.172 -10.172 1.966 1.00 0.70 N ATOM 739 CA GLU A 50 11.740 -11.230 1.139 1.00 0.91 C ATOM 740 C GLU A 50 12.522 -12.216 1.999 1.00 1.07 C ATOM 741 O GLU A 50 12.410 -13.432 1.830 1.00 1.22 O ATOM 742 CB GLU A 50 12.679 -10.642 0.076 1.00 1.03 C ATOM 743 CG GLU A 50 12.085 -9.492 -0.725 1.00 1.14 C ATOM 744 CD GLU A 50 10.892 -9.902 -1.555 1.00 1.46 C ATOM 745 OE1 GLU A 50 9.808 -10.117 -0.974 1.00 1.81 O ATOM 746 OE2 GLU A 50 11.026 -9.998 -2.790 1.00 1.96 O ATOM 0 H GLU A 50 11.438 -9.231 1.677 1.00 0.70 H new ATOM 0 HA GLU A 50 10.916 -11.747 0.647 1.00 0.91 H new ATOM 0 HB2 GLU A 50 13.589 -10.295 0.565 1.00 1.03 H new ATOM 0 HB3 GLU A 50 12.970 -11.435 -0.612 1.00 1.03 H new ATOM 0 HG2 GLU A 50 11.788 -8.696 -0.042 1.00 1.14 H new ATOM 0 HG3 GLU A 50 12.852 -9.080 -1.381 1.00 1.14 H new ATOM 753 N GLN A 51 13.299 -11.686 2.935 1.00 1.10 N ATOM 754 CA GLN A 51 14.154 -12.516 3.769 1.00 1.31 C ATOM 755 C GLN A 51 13.381 -13.121 4.948 1.00 1.39 C ATOM 756 O GLN A 51 13.815 -14.111 5.538 1.00 1.61 O ATOM 757 CB GLN A 51 15.369 -11.707 4.268 1.00 1.34 C ATOM 758 CG GLN A 51 15.031 -10.544 5.195 1.00 1.24 C ATOM 759 CD GLN A 51 14.877 -10.961 6.649 1.00 1.70 C ATOM 760 OE1 GLN A 51 15.531 -11.892 7.112 1.00 2.25 O ATOM 761 NE2 GLN A 51 13.998 -10.286 7.370 1.00 2.01 N ATOM 0 H GLN A 51 13.354 -10.687 3.134 1.00 1.10 H new ATOM 0 HA GLN A 51 14.513 -13.343 3.157 1.00 1.31 H new ATOM 0 HB2 GLN A 51 16.047 -12.383 4.789 1.00 1.34 H new ATOM 0 HB3 GLN A 51 15.908 -11.319 3.404 1.00 1.34 H new ATOM 0 HG2 GLN A 51 15.814 -9.790 5.121 1.00 1.24 H new ATOM 0 HG3 GLN A 51 14.106 -10.077 4.858 1.00 1.24 H new ATOM 0 HE21 GLN A 51 13.474 -9.519 6.949 1.00 2.01 H new ATOM 0 HE22 GLN A 51 13.844 -10.532 8.348 1.00 2.01 H new ATOM 770 N ASN A 52 12.229 -12.543 5.285 1.00 1.22 N ATOM 771 CA ASN A 52 11.520 -12.934 6.505 1.00 1.34 C ATOM 772 C ASN A 52 10.571 -14.108 6.272 1.00 1.34 C ATOM 773 O ASN A 52 10.301 -14.884 7.191 1.00 1.53 O ATOM 774 CB ASN A 52 10.749 -11.741 7.077 1.00 1.26 C ATOM 775 CG ASN A 52 10.111 -12.040 8.419 1.00 1.72 C ATOM 776 OD1 ASN A 52 8.959 -12.463 8.494 1.00 2.34 O ATOM 777 ND2 ASN A 52 10.855 -11.817 9.492 1.00 2.03 N ATOM 0 H ASN A 52 11.771 -11.812 4.740 1.00 1.22 H new ATOM 0 HA ASN A 52 12.272 -13.260 7.224 1.00 1.34 H new ATOM 0 HB2 ASN A 52 11.427 -10.894 7.183 1.00 1.26 H new ATOM 0 HB3 ASN A 52 9.974 -11.443 6.370 1.00 1.26 H new ATOM 0 HD21 ASN A 52 10.476 -11.997 10.422 1.00 2.03 H new ATOM 0 HD22 ASN A 52 11.807 -11.466 9.388 1.00 2.03 H new ATOM 784 N GLY A 53 10.091 -14.259 5.049 1.00 1.22 N ATOM 785 CA GLY A 53 9.234 -15.389 4.741 1.00 1.33 C ATOM 786 C GLY A 53 8.119 -15.049 3.772 1.00 0.94 C ATOM 787 O GLY A 53 7.465 -15.946 3.236 1.00 1.13 O ATOM 0 H GLY A 53 10.275 -13.628 4.269 1.00 1.22 H new ATOM 0 HA2 GLY A 53 9.840 -16.191 4.320 1.00 1.33 H new ATOM 0 HA3 GLY A 53 8.799 -15.769 5.665 1.00 1.33 H new ATOM 791 N GLY A 54 7.901 -13.764 3.534 1.00 0.62 N ATOM 792 CA GLY A 54 6.992 -13.366 2.485 1.00 0.72 C ATOM 793 C GLY A 54 5.741 -12.655 2.963 1.00 0.50 C ATOM 794 O GLY A 54 5.807 -11.760 3.798 1.00 0.89 O ATOM 0 H GLY A 54 8.335 -12.996 4.046 1.00 0.62 H new ATOM 0 HA2 GLY A 54 7.522 -12.712 1.793 1.00 0.72 H new ATOM 0 HA3 GLY A 54 6.697 -14.252 1.924 1.00 0.72 H new ATOM 798 N LEU A 55 4.593 -13.082 2.433 1.00 0.68 N ATOM 799 CA LEU A 55 3.357 -12.304 2.500 1.00 0.60 C ATOM 800 C LEU A 55 2.141 -13.185 2.206 1.00 0.60 C ATOM 801 O LEU A 55 2.130 -13.939 1.230 1.00 0.63 O ATOM 802 CB LEU A 55 3.463 -11.137 1.480 1.00 0.64 C ATOM 803 CG LEU A 55 2.188 -10.375 1.074 1.00 0.65 C ATOM 804 CD1 LEU A 55 1.412 -11.125 0.006 1.00 1.38 C ATOM 805 CD2 LEU A 55 1.301 -10.086 2.273 1.00 1.19 C ATOM 0 H LEU A 55 4.495 -13.974 1.947 1.00 0.68 H new ATOM 0 HA LEU A 55 3.223 -11.903 3.505 1.00 0.60 H new ATOM 0 HB2 LEU A 55 4.165 -10.409 1.887 1.00 0.64 H new ATOM 0 HB3 LEU A 55 3.910 -11.537 0.570 1.00 0.64 H new ATOM 0 HG LEU A 55 2.507 -9.420 0.656 1.00 0.65 H new ATOM 0 HD11 LEU A 55 0.518 -10.560 -0.258 1.00 1.38 H new ATOM 0 HD12 LEU A 55 2.037 -11.249 -0.878 1.00 1.38 H new ATOM 0 HD13 LEU A 55 1.123 -12.105 0.387 1.00 1.38 H new ATOM 0 HD21 LEU A 55 0.412 -9.547 1.946 1.00 1.19 H new ATOM 0 HD22 LEU A 55 1.005 -11.025 2.741 1.00 1.19 H new ATOM 0 HD23 LEU A 55 1.849 -9.478 2.993 1.00 1.19 H new ATOM 817 N PHE A 56 1.128 -13.081 3.053 1.00 0.62 N ATOM 818 CA PHE A 56 -0.177 -13.665 2.778 1.00 0.66 C ATOM 819 C PHE A 56 -1.199 -12.531 2.681 1.00 0.63 C ATOM 820 O PHE A 56 -1.501 -11.865 3.671 1.00 0.71 O ATOM 821 CB PHE A 56 -0.567 -14.659 3.874 1.00 0.78 C ATOM 822 CG PHE A 56 -1.702 -15.565 3.484 1.00 1.13 C ATOM 823 CD1 PHE A 56 -2.983 -15.348 3.965 1.00 2.02 C ATOM 824 CD2 PHE A 56 -1.485 -16.638 2.634 1.00 1.07 C ATOM 825 CE1 PHE A 56 -4.024 -16.182 3.607 1.00 2.87 C ATOM 826 CE2 PHE A 56 -2.522 -17.476 2.272 1.00 1.81 C ATOM 827 CZ PHE A 56 -3.794 -17.247 2.759 1.00 2.74 C ATOM 0 H PHE A 56 1.186 -12.592 3.946 1.00 0.62 H new ATOM 0 HA PHE A 56 -0.147 -14.216 1.838 1.00 0.66 H new ATOM 0 HB2 PHE A 56 0.302 -15.266 4.129 1.00 0.78 H new ATOM 0 HB3 PHE A 56 -0.845 -14.107 4.772 1.00 0.78 H new ATOM 0 HD1 PHE A 56 -3.170 -14.516 4.628 1.00 2.02 H new ATOM 0 HD2 PHE A 56 -0.492 -16.821 2.250 1.00 1.07 H new ATOM 0 HE1 PHE A 56 -5.017 -16.001 3.990 1.00 2.87 H new ATOM 0 HE2 PHE A 56 -2.338 -18.309 1.609 1.00 1.81 H new ATOM 0 HZ PHE A 56 -4.607 -17.900 2.477 1.00 2.74 H new ATOM 837 N ILE A 57 -1.697 -12.296 1.474 1.00 0.57 N ATOM 838 CA ILE A 57 -2.524 -11.120 1.183 1.00 0.53 C ATOM 839 C ILE A 57 -3.962 -11.256 1.671 1.00 0.58 C ATOM 840 O ILE A 57 -4.330 -12.271 2.259 1.00 0.68 O ATOM 841 CB ILE A 57 -2.545 -10.819 -0.322 1.00 0.51 C ATOM 842 CG1 ILE A 57 -2.283 -12.086 -1.126 1.00 0.53 C ATOM 843 CG2 ILE A 57 -1.557 -9.724 -0.684 1.00 0.52 C ATOM 844 CD1 ILE A 57 -1.836 -11.799 -2.524 1.00 0.61 C ATOM 0 H ILE A 57 -1.544 -12.906 0.671 1.00 0.57 H new ATOM 0 HA ILE A 57 -2.060 -10.299 1.729 1.00 0.53 H new ATOM 0 HB ILE A 57 -3.540 -10.454 -0.577 1.00 0.51 H new ATOM 0 HG12 ILE A 57 -1.523 -12.682 -0.621 1.00 0.53 H new ATOM 0 HG13 ILE A 57 -3.192 -12.687 -1.155 1.00 0.53 H new ATOM 0 HG21 ILE A 57 -1.598 -9.537 -1.757 1.00 0.52 H new ATOM 0 HG22 ILE A 57 -1.813 -8.811 -0.146 1.00 0.52 H new ATOM 0 HG23 ILE A 57 -0.550 -10.037 -0.409 1.00 0.52 H new ATOM 0 HD11 ILE A 57 -1.664 -12.738 -3.051 1.00 0.61 H new ATOM 0 HD12 ILE A 57 -2.606 -11.228 -3.042 1.00 0.61 H new ATOM 0 HD13 ILE A 57 -0.912 -11.222 -2.499 1.00 0.61 H new ATOM 851 N MET A 58 -4.772 -10.219 1.400 1.00 0.56 N ATOM 852 CA MET A 58 -6.162 -10.169 1.852 1.00 0.61 C ATOM 853 C MET A 58 -6.914 -11.447 1.481 1.00 0.70 C ATOM 854 O MET A 58 -7.612 -12.034 2.307 1.00 0.79 O ATOM 855 CB MET A 58 -6.899 -8.944 1.299 1.00 0.75 C ATOM 856 CG MET A 58 -6.698 -8.653 -0.181 1.00 0.60 C ATOM 857 SD MET A 58 -8.241 -8.102 -0.958 1.00 0.77 S ATOM 858 CE MET A 58 -7.700 -7.551 -2.578 1.00 0.91 C ATOM 0 H MET A 58 -4.480 -9.401 0.866 1.00 0.56 H new ATOM 0 HA MET A 58 -6.135 -10.084 2.938 1.00 0.61 H new ATOM 0 HB2 MET A 58 -7.966 -9.074 1.481 1.00 0.75 H new ATOM 0 HB3 MET A 58 -6.583 -8.069 1.867 1.00 0.75 H new ATOM 0 HG2 MET A 58 -5.933 -7.886 -0.303 1.00 0.60 H new ATOM 0 HG3 MET A 58 -6.334 -9.549 -0.684 1.00 0.60 H new ATOM 0 HE1 MET A 58 -8.558 -7.191 -3.145 1.00 0.91 H new ATOM 0 HE2 MET A 58 -6.976 -6.744 -2.465 1.00 0.91 H new ATOM 0 HE3 MET A 58 -7.237 -8.382 -3.109 1.00 0.91 H new ATOM 868 N ASN A 59 -6.754 -11.878 0.234 1.00 0.78 N ATOM 869 CA ASN A 59 -7.349 -13.125 -0.238 1.00 0.98 C ATOM 870 C ASN A 59 -6.360 -14.276 -0.075 1.00 0.95 C ATOM 871 O ASN A 59 -6.743 -15.397 0.243 1.00 1.12 O ATOM 872 CB ASN A 59 -7.799 -12.967 -1.699 1.00 1.17 C ATOM 873 CG ASN A 59 -7.745 -14.250 -2.516 1.00 1.50 C ATOM 874 OD1 ASN A 59 -8.616 -15.107 -2.416 1.00 2.28 O ATOM 875 ND2 ASN A 59 -6.737 -14.363 -3.373 1.00 1.66 N ATOM 0 H ASN A 59 -6.214 -11.379 -0.473 1.00 0.78 H new ATOM 0 HA ASN A 59 -8.228 -13.359 0.362 1.00 0.98 H new ATOM 0 HB2 ASN A 59 -8.820 -12.585 -1.713 1.00 1.17 H new ATOM 0 HB3 ASN A 59 -7.171 -12.217 -2.181 1.00 1.17 H new ATOM 0 HD21 ASN A 59 -6.669 -15.183 -3.976 1.00 1.66 H new ATOM 0 HD22 ASN A 59 -6.030 -13.630 -3.429 1.00 1.66 H new ATOM 882 N GLY A 60 -5.085 -13.986 -0.300 1.00 0.86 N ATOM 883 CA GLY A 60 -4.027 -14.929 0.036 1.00 0.96 C ATOM 884 C GLY A 60 -3.758 -15.983 -1.026 1.00 1.09 C ATOM 885 O GLY A 60 -2.685 -16.577 -1.043 1.00 1.21 O ATOM 0 H GLY A 60 -4.760 -13.111 -0.711 1.00 0.86 H new ATOM 0 HA2 GLY A 60 -3.107 -14.373 0.219 1.00 0.96 H new ATOM 0 HA3 GLY A 60 -4.287 -15.430 0.969 1.00 0.96 H new ATOM 889 N SER A 61 -4.711 -16.207 -1.916 1.00 1.15 N ATOM 890 CA SER A 61 -4.556 -17.218 -2.955 1.00 1.32 C ATOM 891 C SER A 61 -3.453 -16.814 -3.931 1.00 1.22 C ATOM 892 O SER A 61 -2.585 -17.613 -4.278 1.00 1.35 O ATOM 893 CB SER A 61 -5.878 -17.418 -3.694 1.00 1.51 C ATOM 894 OG SER A 61 -5.863 -18.600 -4.475 1.00 2.18 O ATOM 0 H SER A 61 -5.599 -15.705 -1.942 1.00 1.15 H new ATOM 0 HA SER A 61 -4.272 -18.161 -2.487 1.00 1.32 H new ATOM 0 HB2 SER A 61 -6.695 -17.467 -2.974 1.00 1.51 H new ATOM 0 HB3 SER A 61 -6.071 -16.559 -4.336 1.00 1.51 H new ATOM 0 HG SER A 61 -6.723 -18.700 -4.934 1.00 2.18 H new ATOM 900 N ARG A 62 -3.477 -15.555 -4.348 1.00 1.08 N ATOM 901 CA ARG A 62 -2.453 -15.015 -5.237 1.00 1.05 C ATOM 902 C ARG A 62 -1.257 -14.533 -4.413 1.00 1.03 C ATOM 903 O ARG A 62 -0.687 -13.472 -4.661 1.00 1.46 O ATOM 904 CB ARG A 62 -3.038 -13.865 -6.048 1.00 1.14 C ATOM 905 CG ARG A 62 -2.122 -13.361 -7.145 1.00 1.69 C ATOM 906 CD ARG A 62 -2.639 -12.066 -7.721 1.00 1.79 C ATOM 907 NE ARG A 62 -1.749 -11.530 -8.749 1.00 2.06 N ATOM 908 CZ ARG A 62 -2.158 -11.087 -9.934 1.00 2.25 C ATOM 909 NH1 ARG A 62 -3.447 -11.125 -10.256 1.00 2.23 N ATOM 910 NH2 ARG A 62 -1.273 -10.611 -10.801 1.00 2.89 N ATOM 0 H ARG A 62 -4.198 -14.884 -4.084 1.00 1.08 H new ATOM 0 HA ARG A 62 -2.115 -15.793 -5.921 1.00 1.05 H new ATOM 0 HB2 ARG A 62 -3.979 -14.189 -6.493 1.00 1.14 H new ATOM 0 HB3 ARG A 62 -3.271 -13.040 -5.375 1.00 1.14 H new ATOM 0 HG2 ARG A 62 -1.118 -13.212 -6.747 1.00 1.69 H new ATOM 0 HG3 ARG A 62 -2.045 -14.110 -7.933 1.00 1.69 H new ATOM 0 HD2 ARG A 62 -3.629 -12.229 -8.147 1.00 1.79 H new ATOM 0 HD3 ARG A 62 -2.752 -11.333 -6.922 1.00 1.79 H new ATOM 0 HE ARG A 62 -0.750 -11.493 -8.544 1.00 2.06 H new ATOM 0 HH11 ARG A 62 -4.128 -11.495 -9.593 1.00 2.23 H new ATOM 0 HH12 ARG A 62 -3.756 -10.784 -11.166 1.00 2.23 H new ATOM 0 HH21 ARG A 62 -0.283 -10.586 -10.557 1.00 2.89 H new ATOM 0 HH22 ARG A 62 -1.583 -10.270 -11.711 1.00 2.89 H new ATOM 924 N ARG A 63 -0.910 -15.341 -3.428 1.00 0.89 N ATOM 925 CA ARG A 63 0.106 -15.015 -2.429 1.00 0.87 C ATOM 926 C ARG A 63 1.387 -14.451 -3.040 1.00 0.75 C ATOM 927 O ARG A 63 1.926 -14.990 -4.009 1.00 0.75 O ATOM 928 CB ARG A 63 0.420 -16.259 -1.590 1.00 0.98 C ATOM 929 CG ARG A 63 0.632 -17.507 -2.429 1.00 1.56 C ATOM 930 CD ARG A 63 0.698 -18.761 -1.577 1.00 1.54 C ATOM 931 NE ARG A 63 0.588 -19.967 -2.396 1.00 2.34 N ATOM 932 CZ ARG A 63 0.056 -21.108 -1.972 1.00 2.60 C ATOM 933 NH1 ARG A 63 -0.355 -21.221 -0.717 1.00 2.07 N ATOM 934 NH2 ARG A 63 -0.057 -22.143 -2.798 1.00 3.59 N ATOM 0 H ARG A 63 -1.331 -16.260 -3.292 1.00 0.89 H new ATOM 0 HA ARG A 63 -0.306 -14.229 -1.796 1.00 0.87 H new ATOM 0 HB2 ARG A 63 1.314 -16.072 -0.995 1.00 0.98 H new ATOM 0 HB3 ARG A 63 -0.397 -16.434 -0.890 1.00 0.98 H new ATOM 0 HG2 ARG A 63 -0.180 -17.601 -3.150 1.00 1.56 H new ATOM 0 HG3 ARG A 63 1.555 -17.408 -3.000 1.00 1.56 H new ATOM 0 HD2 ARG A 63 1.637 -18.779 -1.025 1.00 1.54 H new ATOM 0 HD3 ARG A 63 -0.105 -18.745 -0.840 1.00 1.54 H new ATOM 0 HE ARG A 63 0.942 -19.930 -3.352 1.00 2.34 H new ATOM 0 HH11 ARG A 63 -0.263 -20.432 -0.077 1.00 2.07 H new ATOM 0 HH12 ARG A 63 -0.764 -22.097 -0.391 1.00 2.07 H new ATOM 0 HH21 ARG A 63 0.266 -22.063 -3.762 1.00 3.59 H new ATOM 0 HH22 ARG A 63 -0.466 -23.017 -2.468 1.00 3.59 H new ATOM 948 N ARG A 64 1.844 -13.344 -2.455 1.00 0.70 N ATOM 949 CA ARG A 64 3.105 -12.704 -2.817 1.00 0.62 C ATOM 950 C ARG A 64 3.060 -12.090 -4.204 1.00 0.57 C ATOM 951 O ARG A 64 3.853 -12.423 -5.084 1.00 0.77 O ATOM 952 CB ARG A 64 4.264 -13.682 -2.689 1.00 0.71 C ATOM 953 CG ARG A 64 4.470 -14.133 -1.265 1.00 0.77 C ATOM 954 CD ARG A 64 5.321 -13.134 -0.517 1.00 0.75 C ATOM 955 NE ARG A 64 6.724 -13.288 -0.890 1.00 1.06 N ATOM 956 CZ ARG A 64 7.641 -12.336 -0.801 1.00 1.34 C ATOM 957 NH1 ARG A 64 7.353 -11.168 -0.260 1.00 1.98 N ATOM 958 NH2 ARG A 64 8.865 -12.554 -1.251 1.00 1.56 N ATOM 0 H ARG A 64 1.342 -12.863 -1.709 1.00 0.70 H new ATOM 0 HA ARG A 64 3.264 -11.887 -2.114 1.00 0.62 H new ATOM 0 HB2 ARG A 64 4.077 -14.550 -3.320 1.00 0.71 H new ATOM 0 HB3 ARG A 64 5.177 -13.212 -3.056 1.00 0.71 H new ATOM 0 HG2 ARG A 64 3.506 -14.244 -0.768 1.00 0.77 H new ATOM 0 HG3 ARG A 64 4.950 -15.112 -1.252 1.00 0.77 H new ATOM 0 HD2 ARG A 64 4.987 -12.121 -0.741 1.00 0.75 H new ATOM 0 HD3 ARG A 64 5.205 -13.278 0.557 1.00 0.75 H new ATOM 0 HE ARG A 64 7.020 -14.197 -1.246 1.00 1.06 H new ATOM 0 HH11 ARG A 64 6.414 -10.989 0.096 1.00 1.98 H new ATOM 0 HH12 ARG A 64 8.069 -10.444 -0.198 1.00 1.98 H new ATOM 0 HH21 ARG A 64 9.103 -13.455 -1.666 1.00 1.56 H new ATOM 0 HH22 ARG A 64 9.571 -11.821 -1.183 1.00 1.56 H new ATOM 972 N THR A 65 2.118 -11.192 -4.378 1.00 0.44 N ATOM 973 CA THR A 65 2.065 -10.355 -5.553 1.00 0.40 C ATOM 974 C THR A 65 3.019 -9.170 -5.341 1.00 0.35 C ATOM 975 O THR A 65 3.162 -8.709 -4.213 1.00 0.33 O ATOM 976 CB THR A 65 0.612 -9.875 -5.793 1.00 0.40 C ATOM 977 OG1 THR A 65 0.545 -8.979 -6.907 1.00 0.41 O ATOM 978 CG2 THR A 65 0.049 -9.211 -4.544 1.00 0.40 C ATOM 0 H THR A 65 1.367 -11.022 -3.709 1.00 0.44 H new ATOM 0 HA THR A 65 2.376 -10.911 -6.437 1.00 0.40 H new ATOM 0 HB THR A 65 0.005 -10.751 -6.022 1.00 0.40 H new ATOM 0 HG1 THR A 65 -0.382 -8.691 -7.040 1.00 0.41 H new ATOM 0 HG21 THR A 65 -0.972 -8.882 -4.736 1.00 0.40 H new ATOM 0 HG22 THR A 65 0.052 -9.925 -3.720 1.00 0.40 H new ATOM 0 HG23 THR A 65 0.664 -8.351 -4.281 1.00 0.40 H new ATOM 986 N PRO A 66 3.700 -8.681 -6.399 1.00 0.36 N ATOM 987 CA PRO A 66 4.743 -7.632 -6.296 1.00 0.35 C ATOM 988 C PRO A 66 4.339 -6.449 -5.427 1.00 0.27 C ATOM 989 O PRO A 66 4.976 -6.186 -4.407 1.00 0.26 O ATOM 990 CB PRO A 66 4.928 -7.184 -7.753 1.00 0.42 C ATOM 991 CG PRO A 66 3.773 -7.783 -8.488 1.00 0.44 C ATOM 992 CD PRO A 66 3.508 -9.077 -7.794 1.00 0.43 C ATOM 0 HA PRO A 66 5.645 -8.016 -5.820 1.00 0.35 H new ATOM 0 HB2 PRO A 66 4.928 -6.097 -7.835 1.00 0.42 H new ATOM 0 HB3 PRO A 66 5.878 -7.534 -8.157 1.00 0.42 H new ATOM 0 HG2 PRO A 66 2.901 -7.130 -8.454 1.00 0.44 H new ATOM 0 HG3 PRO A 66 4.012 -7.940 -9.540 1.00 0.44 H new ATOM 0 HD2 PRO A 66 2.501 -9.450 -7.984 1.00 0.43 H new ATOM 0 HD3 PRO A 66 4.201 -9.861 -8.101 1.00 0.43 H new ATOM 1000 N GLY A 67 3.270 -5.761 -5.803 1.00 0.25 N ATOM 1001 CA GLY A 67 2.790 -4.658 -4.995 1.00 0.21 C ATOM 1002 C GLY A 67 2.299 -5.139 -3.655 1.00 0.20 C ATOM 1003 O GLY A 67 2.518 -4.501 -2.634 1.00 0.23 O ATOM 0 H GLY A 67 2.729 -5.945 -6.648 1.00 0.25 H new ATOM 0 HA2 GLY A 67 3.591 -3.932 -4.853 1.00 0.21 H new ATOM 0 HA3 GLY A 67 1.983 -4.144 -5.518 1.00 0.21 H new ATOM 1007 N GLY A 68 1.670 -6.302 -3.672 1.00 0.23 N ATOM 1008 CA GLY A 68 1.172 -6.924 -2.459 1.00 0.28 C ATOM 1009 C GLY A 68 2.258 -7.131 -1.418 1.00 0.27 C ATOM 1010 O GLY A 68 2.002 -7.062 -0.215 1.00 0.30 O ATOM 0 H GLY A 68 1.491 -6.838 -4.521 1.00 0.23 H new ATOM 0 HA2 GLY A 68 0.382 -6.304 -2.036 1.00 0.28 H new ATOM 0 HA3 GLY A 68 0.724 -7.886 -2.707 1.00 0.28 H new ATOM 1014 N VAL A 69 3.475 -7.387 -1.876 1.00 0.27 N ATOM 1015 CA VAL A 69 4.610 -7.525 -0.980 1.00 0.27 C ATOM 1016 C VAL A 69 4.844 -6.214 -0.241 1.00 0.24 C ATOM 1017 O VAL A 69 5.119 -6.198 0.959 1.00 0.23 O ATOM 1018 CB VAL A 69 5.889 -7.924 -1.737 1.00 0.31 C ATOM 1019 CG1 VAL A 69 7.034 -8.126 -0.775 1.00 0.64 C ATOM 1020 CG2 VAL A 69 5.669 -9.192 -2.530 1.00 0.74 C ATOM 0 H VAL A 69 3.700 -7.503 -2.864 1.00 0.27 H new ATOM 0 HA VAL A 69 4.378 -8.319 -0.270 1.00 0.27 H new ATOM 0 HB VAL A 69 6.136 -7.114 -2.423 1.00 0.31 H new ATOM 0 HG11 VAL A 69 7.929 -8.408 -1.329 1.00 0.64 H new ATOM 0 HG12 VAL A 69 7.220 -7.200 -0.231 1.00 0.64 H new ATOM 0 HG13 VAL A 69 6.781 -8.917 -0.069 1.00 0.64 H new ATOM 0 HG21 VAL A 69 6.586 -9.455 -3.057 1.00 0.74 H new ATOM 0 HG22 VAL A 69 5.394 -10.001 -1.853 1.00 0.74 H new ATOM 0 HG23 VAL A 69 4.868 -9.035 -3.252 1.00 0.74 H new ATOM 1024 N PHE A 70 4.707 -5.116 -0.969 1.00 0.22 N ATOM 1025 CA PHE A 70 4.789 -3.793 -0.379 1.00 0.20 C ATOM 1026 C PHE A 70 3.631 -3.581 0.587 1.00 0.20 C ATOM 1027 O PHE A 70 3.797 -2.937 1.619 1.00 0.20 O ATOM 1028 CB PHE A 70 4.786 -2.711 -1.464 1.00 0.22 C ATOM 1029 CG PHE A 70 4.686 -1.307 -0.930 1.00 0.20 C ATOM 1030 CD1 PHE A 70 3.465 -0.806 -0.506 1.00 0.23 C ATOM 1031 CD2 PHE A 70 5.807 -0.494 -0.837 1.00 0.21 C ATOM 1032 CE1 PHE A 70 3.358 0.466 0.002 1.00 0.26 C ATOM 1033 CE2 PHE A 70 5.707 0.785 -0.334 1.00 0.24 C ATOM 1034 CZ PHE A 70 4.482 1.266 0.088 1.00 0.25 C ATOM 0 H PHE A 70 4.538 -5.118 -1.975 1.00 0.22 H new ATOM 0 HA PHE A 70 5.727 -3.717 0.171 1.00 0.20 H new ATOM 0 HB2 PHE A 70 5.698 -2.800 -2.054 1.00 0.22 H new ATOM 0 HB3 PHE A 70 3.950 -2.892 -2.140 1.00 0.22 H new ATOM 0 HD1 PHE A 70 2.583 -1.426 -0.576 1.00 0.23 H new ATOM 0 HD2 PHE A 70 6.767 -0.867 -1.162 1.00 0.21 H new ATOM 0 HE1 PHE A 70 2.400 0.839 0.333 1.00 0.26 H new ATOM 0 HE2 PHE A 70 6.585 1.411 -0.270 1.00 0.24 H new ATOM 0 HZ PHE A 70 4.403 2.267 0.485 1.00 0.25 H new ATOM 1044 N LEU A 71 2.447 -4.100 0.262 1.00 0.21 N ATOM 1045 CA LEU A 71 1.322 -3.963 1.181 1.00 0.24 C ATOM 1046 C LEU A 71 1.719 -4.576 2.509 1.00 0.24 C ATOM 1047 O LEU A 71 1.482 -3.986 3.557 1.00 0.26 O ATOM 1048 CB LEU A 71 0.014 -4.649 0.722 1.00 0.31 C ATOM 1049 CG LEU A 71 -0.628 -4.243 -0.619 1.00 0.28 C ATOM 1050 CD1 LEU A 71 -2.004 -3.651 -0.410 1.00 0.32 C ATOM 1051 CD2 LEU A 71 0.223 -3.268 -1.382 1.00 0.30 C ATOM 0 H LEU A 71 2.246 -4.603 -0.602 1.00 0.21 H new ATOM 0 HA LEU A 71 1.110 -2.895 1.238 1.00 0.24 H new ATOM 0 HB2 LEU A 71 0.205 -5.721 0.681 1.00 0.31 H new ATOM 0 HB3 LEU A 71 -0.730 -4.488 1.502 1.00 0.31 H new ATOM 0 HG LEU A 71 -0.714 -5.157 -1.207 1.00 0.28 H new ATOM 0 HD11 LEU A 71 -2.431 -3.374 -1.374 1.00 0.32 H new ATOM 0 HD12 LEU A 71 -2.647 -4.386 0.074 1.00 0.32 H new ATOM 0 HD13 LEU A 71 -1.927 -2.765 0.220 1.00 0.32 H new ATOM 0 HD21 LEU A 71 -0.270 -3.011 -2.320 1.00 0.30 H new ATOM 0 HD22 LEU A 71 0.365 -2.366 -0.787 1.00 0.30 H new ATOM 0 HD23 LEU A 71 1.193 -3.719 -1.593 1.00 0.30 H new ATOM 1063 N ASN A 72 2.362 -5.749 2.445 1.00 0.24 N ATOM 1064 CA ASN A 72 2.772 -6.485 3.645 1.00 0.27 C ATOM 1065 C ASN A 72 3.644 -5.620 4.541 1.00 0.26 C ATOM 1066 O ASN A 72 3.687 -5.815 5.750 1.00 0.34 O ATOM 1067 CB ASN A 72 3.541 -7.768 3.306 1.00 0.31 C ATOM 1068 CG ASN A 72 3.555 -8.721 4.489 1.00 0.46 C ATOM 1069 OD1 ASN A 72 2.579 -8.806 5.236 1.00 1.08 O ATOM 1070 ND2 ASN A 72 4.653 -9.426 4.677 1.00 0.67 N ATOM 0 H ASN A 72 2.610 -6.210 1.569 1.00 0.24 H new ATOM 0 HA ASN A 72 1.853 -6.756 4.165 1.00 0.27 H new ATOM 0 HB2 ASN A 72 3.081 -8.256 2.447 1.00 0.31 H new ATOM 0 HB3 ASN A 72 4.564 -7.519 3.022 1.00 0.31 H new ATOM 0 HD21 ASN A 72 4.716 -10.071 5.464 1.00 0.67 H new ATOM 0 HD22 ASN A 72 5.439 -9.326 4.035 1.00 0.67 H new ATOM 1077 N LEU A 73 4.324 -4.657 3.936 1.00 0.23 N ATOM 1078 CA LEU A 73 5.191 -3.744 4.666 1.00 0.25 C ATOM 1079 C LEU A 73 4.436 -3.028 5.761 1.00 0.36 C ATOM 1080 O LEU A 73 4.932 -2.878 6.862 1.00 0.46 O ATOM 1081 CB LEU A 73 5.770 -2.717 3.715 1.00 0.23 C ATOM 1082 CG LEU A 73 6.797 -3.273 2.758 1.00 0.20 C ATOM 1083 CD1 LEU A 73 7.243 -2.198 1.798 1.00 0.35 C ATOM 1084 CD2 LEU A 73 7.954 -3.811 3.562 1.00 0.27 C ATOM 0 H LEU A 73 4.291 -4.487 2.931 1.00 0.23 H new ATOM 0 HA LEU A 73 5.990 -4.331 5.119 1.00 0.25 H new ATOM 0 HB2 LEU A 73 4.958 -2.271 3.141 1.00 0.23 H new ATOM 0 HB3 LEU A 73 6.227 -1.916 4.296 1.00 0.23 H new ATOM 0 HG LEU A 73 6.370 -4.082 2.165 1.00 0.20 H new ATOM 0 HD11 LEU A 73 7.984 -2.608 1.111 1.00 0.35 H new ATOM 0 HD12 LEU A 73 6.384 -1.837 1.232 1.00 0.35 H new ATOM 0 HD13 LEU A 73 7.684 -1.372 2.356 1.00 0.35 H new ATOM 0 HD21 LEU A 73 8.708 -4.218 2.888 1.00 0.27 H new ATOM 0 HD22 LEU A 73 8.392 -3.006 4.153 1.00 0.27 H new ATOM 0 HD23 LEU A 73 7.600 -4.598 4.227 1.00 0.27 H new ATOM 1096 N LEU A 74 3.228 -2.608 5.462 1.00 0.41 N ATOM 1097 CA LEU A 74 2.402 -1.936 6.449 1.00 0.58 C ATOM 1098 C LEU A 74 2.097 -2.869 7.631 1.00 0.66 C ATOM 1099 O LEU A 74 1.717 -2.424 8.701 1.00 0.80 O ATOM 1100 CB LEU A 74 1.119 -1.382 5.816 1.00 0.63 C ATOM 1101 CG LEU A 74 1.332 -0.185 4.875 1.00 0.49 C ATOM 1102 CD1 LEU A 74 1.781 -0.643 3.496 1.00 1.08 C ATOM 1103 CD2 LEU A 74 0.074 0.664 4.775 1.00 0.78 C ATOM 0 H LEU A 74 2.793 -2.718 4.546 1.00 0.41 H new ATOM 0 HA LEU A 74 2.961 -1.085 6.837 1.00 0.58 H new ATOM 0 HB2 LEU A 74 0.630 -2.182 5.260 1.00 0.63 H new ATOM 0 HB3 LEU A 74 0.437 -1.084 6.612 1.00 0.63 H new ATOM 0 HG LEU A 74 2.124 0.431 5.301 1.00 0.49 H new ATOM 0 HD11 LEU A 74 1.923 0.225 2.853 1.00 1.08 H new ATOM 0 HD12 LEU A 74 2.720 -1.189 3.582 1.00 1.08 H new ATOM 0 HD13 LEU A 74 1.021 -1.294 3.064 1.00 1.08 H new ATOM 0 HD21 LEU A 74 0.254 1.503 4.103 1.00 0.78 H new ATOM 0 HD22 LEU A 74 -0.744 0.057 4.387 1.00 0.78 H new ATOM 0 HD23 LEU A 74 -0.190 1.041 5.763 1.00 0.78 H new ATOM 1115 N LYS A 75 2.259 -4.171 7.420 1.00 0.66 N ATOM 1116 CA LYS A 75 2.031 -5.162 8.472 1.00 0.82 C ATOM 1117 C LYS A 75 3.315 -5.470 9.249 1.00 0.77 C ATOM 1118 O LYS A 75 3.261 -5.925 10.390 1.00 0.95 O ATOM 1119 CB LYS A 75 1.489 -6.465 7.874 1.00 1.04 C ATOM 1120 CG LYS A 75 -0.028 -6.533 7.777 1.00 0.81 C ATOM 1121 CD LYS A 75 -0.616 -5.369 6.997 1.00 0.71 C ATOM 1122 CE LYS A 75 -0.120 -5.322 5.560 1.00 0.70 C ATOM 1123 NZ LYS A 75 -0.721 -4.182 4.835 1.00 1.93 N ATOM 0 H LYS A 75 2.549 -4.568 6.526 1.00 0.66 H new ATOM 0 HA LYS A 75 1.300 -4.735 9.159 1.00 0.82 H new ATOM 0 HB2 LYS A 75 1.910 -6.595 6.877 1.00 1.04 H new ATOM 0 HB3 LYS A 75 1.839 -7.301 8.479 1.00 1.04 H new ATOM 0 HG2 LYS A 75 -0.316 -7.469 7.298 1.00 0.81 H new ATOM 0 HG3 LYS A 75 -0.453 -6.544 8.781 1.00 0.81 H new ATOM 0 HD2 LYS A 75 -1.703 -5.446 7.000 1.00 0.71 H new ATOM 0 HD3 LYS A 75 -0.361 -4.435 7.497 1.00 0.71 H new ATOM 0 HE2 LYS A 75 0.966 -5.235 5.548 1.00 0.70 H new ATOM 0 HE3 LYS A 75 -0.370 -6.254 5.053 1.00 0.70 H new ATOM 0 HZ1 LYS A 75 -0.054 -3.839 4.114 1.00 1.93 H new ATOM 0 HZ2 LYS A 75 -1.601 -4.489 4.374 1.00 1.93 H new ATOM 0 HZ3 LYS A 75 -0.931 -3.416 5.506 1.00 1.93 H new ATOM 1137 N ASN A 76 4.465 -5.231 8.632 1.00 0.64 N ATOM 1138 CA ASN A 76 5.741 -5.622 9.233 1.00 0.69 C ATOM 1139 C ASN A 76 6.592 -4.402 9.580 1.00 0.61 C ATOM 1140 O ASN A 76 7.585 -4.513 10.298 1.00 0.79 O ATOM 1141 CB ASN A 76 6.511 -6.540 8.273 1.00 0.81 C ATOM 1142 CG ASN A 76 7.759 -7.149 8.896 1.00 1.22 C ATOM 1143 OD1 ASN A 76 8.778 -7.315 8.226 1.00 1.80 O ATOM 1144 ND2 ASN A 76 7.679 -7.525 10.166 1.00 2.12 N ATOM 0 H ASN A 76 4.545 -4.773 7.724 1.00 0.64 H new ATOM 0 HA ASN A 76 5.527 -6.157 10.158 1.00 0.69 H new ATOM 0 HB2 ASN A 76 5.851 -7.341 7.940 1.00 0.81 H new ATOM 0 HB3 ASN A 76 6.795 -5.972 7.387 1.00 0.81 H new ATOM 0 HD21 ASN A 76 8.479 -7.968 10.618 1.00 2.12 H new ATOM 0 HD22 ASN A 76 6.818 -7.371 10.690 1.00 2.12 H new ATOM 1151 N THR A 77 6.193 -3.240 9.083 1.00 0.54 N ATOM 1152 CA THR A 77 6.996 -2.036 9.215 1.00 0.60 C ATOM 1153 C THR A 77 7.228 -1.680 10.690 1.00 0.56 C ATOM 1154 O THR A 77 6.309 -1.691 11.510 1.00 0.61 O ATOM 1155 CB THR A 77 6.373 -0.849 8.441 1.00 0.75 C ATOM 1156 OG1 THR A 77 7.356 0.181 8.260 1.00 0.94 O ATOM 1157 CG2 THR A 77 5.147 -0.292 9.151 1.00 0.78 C ATOM 0 H THR A 77 5.314 -3.107 8.583 1.00 0.54 H new ATOM 0 HA THR A 77 7.968 -2.242 8.767 1.00 0.60 H new ATOM 0 HB THR A 77 6.046 -1.216 7.468 1.00 0.75 H new ATOM 0 HG1 THR A 77 8.059 -0.140 7.658 1.00 0.94 H new ATOM 0 HG21 THR A 77 4.740 0.539 8.576 1.00 0.78 H new ATOM 0 HG22 THR A 77 4.393 -1.074 9.243 1.00 0.78 H new ATOM 0 HG23 THR A 77 5.429 0.058 10.144 1.00 0.78 H new ATOM 1165 N PRO A 78 8.485 -1.382 11.033 1.00 0.63 N ATOM 1166 CA PRO A 78 8.943 -1.284 12.419 1.00 0.67 C ATOM 1167 C PRO A 78 8.484 -0.021 13.157 1.00 0.70 C ATOM 1168 O PRO A 78 8.184 -0.077 14.348 1.00 0.84 O ATOM 1169 CB PRO A 78 10.479 -1.313 12.290 1.00 0.92 C ATOM 1170 CG PRO A 78 10.765 -1.591 10.847 1.00 1.00 C ATOM 1171 CD PRO A 78 9.573 -1.108 10.095 1.00 0.84 C ATOM 0 HA PRO A 78 8.523 -2.091 13.020 1.00 0.67 H new ATOM 0 HB2 PRO A 78 10.915 -0.363 12.598 1.00 0.92 H new ATOM 0 HB3 PRO A 78 10.910 -2.084 12.929 1.00 0.92 H new ATOM 0 HG2 PRO A 78 11.668 -1.075 10.521 1.00 1.00 H new ATOM 0 HG3 PRO A 78 10.928 -2.656 10.679 1.00 1.00 H new ATOM 0 HD2 PRO A 78 9.646 -0.047 9.854 1.00 0.84 H new ATOM 0 HD3 PRO A 78 9.442 -1.641 9.153 1.00 0.84 H new ATOM 1179 N SER A 79 8.429 1.113 12.464 1.00 0.75 N ATOM 1180 CA SER A 79 8.247 2.400 13.142 1.00 0.96 C ATOM 1181 C SER A 79 6.893 3.069 12.866 1.00 0.91 C ATOM 1182 O SER A 79 6.746 4.271 13.095 1.00 1.06 O ATOM 1183 CB SER A 79 9.377 3.354 12.751 1.00 1.23 C ATOM 1184 OG SER A 79 10.642 2.791 13.055 1.00 1.49 O ATOM 0 H SER A 79 8.506 1.172 11.449 1.00 0.75 H new ATOM 0 HA SER A 79 8.270 2.184 14.210 1.00 0.96 H new ATOM 0 HB2 SER A 79 9.319 3.575 11.685 1.00 1.23 H new ATOM 0 HB3 SER A 79 9.259 4.300 13.279 1.00 1.23 H new ATOM 0 HG SER A 79 11.350 3.417 12.795 1.00 1.49 H new ATOM 1190 N ILE A 80 5.910 2.322 12.377 1.00 0.76 N ATOM 1191 CA ILE A 80 4.599 2.910 12.097 1.00 0.76 C ATOM 1192 C ILE A 80 3.534 2.301 13.006 1.00 0.74 C ATOM 1193 O ILE A 80 3.491 1.085 13.195 1.00 0.67 O ATOM 1194 CB ILE A 80 4.187 2.733 10.618 1.00 0.69 C ATOM 1195 CG1 ILE A 80 5.304 3.231 9.697 1.00 0.89 C ATOM 1196 CG2 ILE A 80 2.891 3.491 10.337 1.00 0.76 C ATOM 1197 CD1 ILE A 80 5.001 3.066 8.224 1.00 1.21 C ATOM 0 H ILE A 80 5.989 1.327 12.168 1.00 0.76 H new ATOM 0 HA ILE A 80 4.679 3.979 12.296 1.00 0.76 H new ATOM 0 HB ILE A 80 4.020 1.674 10.424 1.00 0.69 H new ATOM 0 HG12 ILE A 80 5.490 4.285 9.904 1.00 0.89 H new ATOM 0 HG13 ILE A 80 6.222 2.693 9.932 1.00 0.89 H new ATOM 0 HG21 ILE A 80 2.611 3.359 9.292 1.00 0.76 H new ATOM 0 HG22 ILE A 80 2.098 3.105 10.977 1.00 0.76 H new ATOM 0 HG23 ILE A 80 3.038 4.551 10.542 1.00 0.76 H new ATOM 0 HD11 ILE A 80 5.839 3.441 7.636 1.00 1.21 H new ATOM 0 HD12 ILE A 80 4.845 2.011 8.001 1.00 1.21 H new ATOM 0 HD13 ILE A 80 4.101 3.627 7.973 1.00 1.21 H new ATOM 1204 N SER A 81 2.696 3.157 13.586 1.00 0.90 N ATOM 1205 CA SER A 81 1.659 2.721 14.517 1.00 1.01 C ATOM 1206 C SER A 81 0.479 2.073 13.783 1.00 0.88 C ATOM 1207 O SER A 81 0.084 2.495 12.693 1.00 0.74 O ATOM 1208 CB SER A 81 1.179 3.915 15.347 1.00 1.26 C ATOM 1209 OG SER A 81 2.263 4.520 16.038 1.00 1.79 O ATOM 0 H SER A 81 2.716 4.164 13.426 1.00 0.90 H new ATOM 0 HA SER A 81 2.088 1.967 15.177 1.00 1.01 H new ATOM 0 HB2 SER A 81 0.703 4.648 14.696 1.00 1.26 H new ATOM 0 HB3 SER A 81 0.425 3.586 16.062 1.00 1.26 H new ATOM 0 HG SER A 81 1.934 5.281 16.560 1.00 1.79 H new ATOM 1215 N GLU A 82 -0.075 1.051 14.439 1.00 0.99 N ATOM 1216 CA GLU A 82 -1.049 0.122 13.859 1.00 0.96 C ATOM 1217 C GLU A 82 -2.246 0.816 13.209 1.00 0.84 C ATOM 1218 O GLU A 82 -2.661 0.435 12.110 1.00 0.75 O ATOM 1219 CB GLU A 82 -1.536 -0.832 14.953 1.00 1.22 C ATOM 1220 CG GLU A 82 -2.574 -1.837 14.488 1.00 1.50 C ATOM 1221 CD GLU A 82 -3.061 -2.723 15.614 1.00 2.29 C ATOM 1222 OE1 GLU A 82 -3.953 -2.288 16.372 1.00 2.89 O ATOM 1223 OE2 GLU A 82 -2.552 -3.858 15.744 1.00 2.75 O ATOM 0 H GLU A 82 0.146 0.841 15.412 1.00 0.99 H new ATOM 0 HA GLU A 82 -0.541 -0.419 13.061 1.00 0.96 H new ATOM 0 HB2 GLU A 82 -0.679 -1.372 15.356 1.00 1.22 H new ATOM 0 HB3 GLU A 82 -1.956 -0.245 15.770 1.00 1.22 H new ATOM 0 HG2 GLU A 82 -3.421 -1.306 14.054 1.00 1.50 H new ATOM 0 HG3 GLU A 82 -2.148 -2.457 13.699 1.00 1.50 H new ATOM 1230 N GLU A 83 -2.816 1.806 13.888 1.00 0.90 N ATOM 1231 CA GLU A 83 -3.993 2.494 13.366 1.00 0.87 C ATOM 1232 C GLU A 83 -3.639 3.322 12.141 1.00 0.74 C ATOM 1233 O GLU A 83 -4.374 3.327 11.154 1.00 0.73 O ATOM 1234 CB GLU A 83 -4.626 3.393 14.427 1.00 1.05 C ATOM 1235 CG GLU A 83 -5.906 4.057 13.949 1.00 1.30 C ATOM 1236 CD GLU A 83 -6.437 5.087 14.919 1.00 1.60 C ATOM 1237 OE1 GLU A 83 -6.121 6.285 14.757 1.00 1.98 O ATOM 1238 OE2 GLU A 83 -7.162 4.704 15.863 1.00 2.06 O ATOM 0 H GLU A 83 -2.487 2.148 14.791 1.00 0.90 H new ATOM 0 HA GLU A 83 -4.715 1.729 13.081 1.00 0.87 H new ATOM 0 HB2 GLU A 83 -4.840 2.802 15.317 1.00 1.05 H new ATOM 0 HB3 GLU A 83 -3.911 4.162 14.719 1.00 1.05 H new ATOM 0 HG2 GLU A 83 -5.723 4.534 12.986 1.00 1.30 H new ATOM 0 HG3 GLU A 83 -6.666 3.293 13.787 1.00 1.30 H new ATOM 1245 N GLN A 84 -2.502 4.007 12.204 1.00 0.73 N ATOM 1246 CA GLN A 84 -2.050 4.846 11.101 1.00 0.68 C ATOM 1247 C GLN A 84 -1.879 4.005 9.843 1.00 0.56 C ATOM 1248 O GLN A 84 -2.079 4.476 8.723 1.00 0.59 O ATOM 1249 CB GLN A 84 -0.728 5.530 11.466 1.00 0.76 C ATOM 1250 CG GLN A 84 -0.280 6.565 10.446 1.00 1.11 C ATOM 1251 CD GLN A 84 -1.270 7.704 10.316 1.00 1.60 C ATOM 1252 OE1 GLN A 84 -1.162 8.721 11.003 1.00 2.31 O ATOM 1253 NE2 GLN A 84 -2.246 7.539 9.440 1.00 2.28 N ATOM 0 H GLN A 84 -1.876 3.997 13.009 1.00 0.73 H new ATOM 0 HA GLN A 84 -2.799 5.614 10.911 1.00 0.68 H new ATOM 0 HB2 GLN A 84 -0.833 6.011 12.438 1.00 0.76 H new ATOM 0 HB3 GLN A 84 0.048 4.772 11.568 1.00 0.76 H new ATOM 0 HG2 GLN A 84 0.693 6.962 10.737 1.00 1.11 H new ATOM 0 HG3 GLN A 84 -0.151 6.085 9.476 1.00 1.11 H new ATOM 0 HE21 GLN A 84 -2.299 6.681 8.891 1.00 2.28 H new ATOM 0 HE22 GLN A 84 -2.946 8.270 9.313 1.00 2.28 H new ATOM 1262 N ILE A 85 -1.512 2.753 10.059 1.00 0.50 N ATOM 1263 CA ILE A 85 -1.360 1.782 8.993 1.00 0.45 C ATOM 1264 C ILE A 85 -2.704 1.452 8.343 1.00 0.43 C ATOM 1265 O ILE A 85 -2.818 1.424 7.114 1.00 0.43 O ATOM 1266 CB ILE A 85 -0.726 0.493 9.556 1.00 0.46 C ATOM 1267 CG1 ILE A 85 0.717 0.771 9.982 1.00 0.51 C ATOM 1268 CG2 ILE A 85 -0.792 -0.631 8.536 1.00 0.47 C ATOM 1269 CD1 ILE A 85 1.349 -0.340 10.788 1.00 1.41 C ATOM 0 H ILE A 85 -1.310 2.381 10.987 1.00 0.50 H new ATOM 0 HA ILE A 85 -0.712 2.213 8.230 1.00 0.45 H new ATOM 0 HB ILE A 85 -1.291 0.173 10.432 1.00 0.46 H new ATOM 0 HG12 ILE A 85 1.320 0.947 9.091 1.00 0.51 H new ATOM 0 HG13 ILE A 85 0.740 1.689 10.569 1.00 0.51 H new ATOM 0 HG21 ILE A 85 -0.339 -1.530 8.955 1.00 0.47 H new ATOM 0 HG22 ILE A 85 -1.833 -0.833 8.284 1.00 0.47 H new ATOM 0 HG23 ILE A 85 -0.251 -0.338 7.636 1.00 0.47 H new ATOM 0 HD11 ILE A 85 2.370 -0.064 11.050 1.00 1.41 H new ATOM 0 HD12 ILE A 85 0.772 -0.502 11.699 1.00 1.41 H new ATOM 0 HD13 ILE A 85 1.361 -1.256 10.198 1.00 1.41 H new ATOM 1276 N LYS A 86 -3.714 1.218 9.181 1.00 0.47 N ATOM 1277 CA LYS A 86 -5.045 0.821 8.720 1.00 0.50 C ATOM 1278 C LYS A 86 -5.610 1.838 7.734 1.00 0.41 C ATOM 1279 O LYS A 86 -6.236 1.475 6.736 1.00 0.47 O ATOM 1280 CB LYS A 86 -6.004 0.704 9.911 1.00 0.59 C ATOM 1281 CG LYS A 86 -7.274 -0.072 9.611 1.00 0.71 C ATOM 1282 CD LYS A 86 -8.395 0.268 10.588 1.00 0.92 C ATOM 1283 CE LYS A 86 -8.006 -0.009 12.036 1.00 1.90 C ATOM 1284 NZ LYS A 86 -7.672 -1.440 12.268 1.00 2.45 N ATOM 0 H LYS A 86 -3.634 1.298 10.195 1.00 0.47 H new ATOM 0 HA LYS A 86 -4.948 -0.144 8.222 1.00 0.50 H new ATOM 0 HB2 LYS A 86 -5.483 0.221 10.737 1.00 0.59 H new ATOM 0 HB3 LYS A 86 -6.274 1.706 10.246 1.00 0.59 H new ATOM 0 HG2 LYS A 86 -7.601 0.146 8.594 1.00 0.71 H new ATOM 0 HG3 LYS A 86 -7.065 -1.141 9.656 1.00 0.71 H new ATOM 0 HD2 LYS A 86 -8.661 1.320 10.481 1.00 0.92 H new ATOM 0 HD3 LYS A 86 -9.282 -0.312 10.335 1.00 0.92 H new ATOM 0 HE2 LYS A 86 -7.150 0.610 12.304 1.00 1.90 H new ATOM 0 HE3 LYS A 86 -8.827 0.281 12.692 1.00 1.90 H new ATOM 0 HZ1 LYS A 86 -7.530 -1.603 13.285 1.00 2.45 H new ATOM 0 HZ2 LYS A 86 -8.452 -2.038 11.927 1.00 2.45 H new ATOM 0 HZ3 LYS A 86 -6.801 -1.681 11.754 1.00 2.45 H new ATOM 1298 N ASP A 87 -5.369 3.108 8.022 1.00 0.34 N ATOM 1299 CA ASP A 87 -5.962 4.197 7.261 1.00 0.31 C ATOM 1300 C ASP A 87 -5.452 4.256 5.830 1.00 0.29 C ATOM 1301 O ASP A 87 -6.177 4.670 4.924 1.00 0.35 O ATOM 1302 CB ASP A 87 -5.726 5.547 7.948 1.00 0.34 C ATOM 1303 CG ASP A 87 -6.517 5.707 9.233 1.00 1.00 C ATOM 1304 OD1 ASP A 87 -7.746 5.484 9.215 1.00 1.09 O ATOM 1305 OD2 ASP A 87 -5.923 6.091 10.263 1.00 1.70 O ATOM 0 H ASP A 87 -4.762 3.411 8.783 1.00 0.34 H new ATOM 0 HA ASP A 87 -7.032 3.993 7.225 1.00 0.31 H new ATOM 0 HB2 ASP A 87 -4.664 5.656 8.166 1.00 0.34 H new ATOM 0 HB3 ASP A 87 -5.994 6.349 7.261 1.00 0.34 H new ATOM 1310 N ILE A 88 -4.210 3.857 5.624 1.00 0.26 N ATOM 1311 CA ILE A 88 -3.585 4.010 4.322 1.00 0.27 C ATOM 1312 C ILE A 88 -4.187 3.073 3.274 1.00 0.31 C ATOM 1313 O ILE A 88 -4.934 3.497 2.399 1.00 0.36 O ATOM 1314 CB ILE A 88 -2.067 3.749 4.391 1.00 0.28 C ATOM 1315 CG1 ILE A 88 -1.427 4.600 5.484 1.00 0.36 C ATOM 1316 CG2 ILE A 88 -1.424 4.042 3.043 1.00 0.38 C ATOM 1317 CD1 ILE A 88 0.065 4.391 5.624 1.00 0.42 C ATOM 0 H ILE A 88 -3.618 3.428 6.335 1.00 0.26 H new ATOM 0 HA ILE A 88 -3.772 5.042 4.024 1.00 0.27 H new ATOM 0 HB ILE A 88 -1.904 2.699 4.635 1.00 0.28 H new ATOM 0 HG12 ILE A 88 -1.619 5.652 5.272 1.00 0.36 H new ATOM 0 HG13 ILE A 88 -1.907 4.374 6.436 1.00 0.36 H new ATOM 0 HG21 ILE A 88 -0.352 3.854 3.103 1.00 0.38 H new ATOM 0 HG22 ILE A 88 -1.863 3.397 2.282 1.00 0.38 H new ATOM 0 HG23 ILE A 88 -1.596 5.085 2.777 1.00 0.38 H new ATOM 0 HD11 ILE A 88 0.449 5.029 6.420 1.00 0.42 H new ATOM 0 HD12 ILE A 88 0.265 3.348 5.867 1.00 0.42 H new ATOM 0 HD13 ILE A 88 0.558 4.645 4.686 1.00 0.42 H new ATOM 1324 N PHE A 89 -3.886 1.797 3.401 1.00 0.33 N ATOM 1325 CA PHE A 89 -4.099 0.843 2.314 1.00 0.41 C ATOM 1326 C PHE A 89 -5.427 0.102 2.435 1.00 0.44 C ATOM 1327 O PHE A 89 -5.938 -0.433 1.453 1.00 0.52 O ATOM 1328 CB PHE A 89 -2.963 -0.179 2.326 1.00 0.45 C ATOM 1329 CG PHE A 89 -3.072 -1.145 3.468 1.00 0.32 C ATOM 1330 CD1 PHE A 89 -3.381 -2.467 3.233 1.00 0.57 C ATOM 1331 CD2 PHE A 89 -2.899 -0.724 4.777 1.00 0.56 C ATOM 1332 CE1 PHE A 89 -3.517 -3.351 4.276 1.00 0.75 C ATOM 1333 CE2 PHE A 89 -3.027 -1.608 5.827 1.00 0.49 C ATOM 1334 CZ PHE A 89 -3.340 -2.925 5.577 1.00 0.51 C ATOM 0 H PHE A 89 -3.491 1.388 4.248 1.00 0.33 H new ATOM 0 HA PHE A 89 -4.120 1.407 1.381 1.00 0.41 H new ATOM 0 HB2 PHE A 89 -2.965 -0.731 1.386 1.00 0.45 H new ATOM 0 HB3 PHE A 89 -2.009 0.344 2.386 1.00 0.45 H new ATOM 0 HD1 PHE A 89 -3.518 -2.812 2.219 1.00 0.57 H new ATOM 0 HD2 PHE A 89 -2.661 0.310 4.977 1.00 0.56 H new ATOM 0 HE1 PHE A 89 -3.763 -4.384 4.077 1.00 0.75 H new ATOM 0 HE2 PHE A 89 -2.882 -1.269 6.842 1.00 0.49 H new ATOM 0 HZ PHE A 89 -3.447 -3.622 6.395 1.00 0.51 H new ATOM 1344 N TYR A 90 -5.973 0.073 3.636 1.00 0.44 N ATOM 1345 CA TYR A 90 -7.052 -0.845 3.963 1.00 0.53 C ATOM 1346 C TYR A 90 -8.428 -0.200 3.770 1.00 0.56 C ATOM 1347 O TYR A 90 -9.457 -0.881 3.796 1.00 0.71 O ATOM 1348 CB TYR A 90 -6.850 -1.315 5.406 1.00 0.56 C ATOM 1349 CG TYR A 90 -7.886 -2.281 5.927 1.00 0.70 C ATOM 1350 CD1 TYR A 90 -8.914 -1.896 6.803 1.00 0.78 C ATOM 1351 CD2 TYR A 90 -7.834 -3.602 5.517 1.00 0.77 C ATOM 1352 CE1 TYR A 90 -9.844 -2.822 7.238 1.00 0.93 C ATOM 1353 CE2 TYR A 90 -8.752 -4.523 5.948 1.00 0.91 C ATOM 1354 CZ TYR A 90 -9.824 -3.981 6.958 1.00 0.96 C ATOM 1355 OH TYR A 90 -10.690 -5.052 7.238 1.00 1.13 O ATOM 0 H TYR A 90 -5.686 0.677 4.406 1.00 0.44 H new ATOM 0 HA TYR A 90 -7.024 -1.699 3.286 1.00 0.53 H new ATOM 0 HB2 TYR A 90 -5.870 -1.785 5.482 1.00 0.56 H new ATOM 0 HB3 TYR A 90 -6.835 -0.440 6.056 1.00 0.56 H new ATOM 0 HD1 TYR A 90 -8.978 -0.871 7.139 1.00 0.78 H new ATOM 0 HD2 TYR A 90 -7.051 -3.914 4.841 1.00 0.77 H new ATOM 0 HE1 TYR A 90 -10.643 -2.472 7.875 1.00 0.93 H new ATOM 0 HE2 TYR A 90 -8.739 -5.551 5.616 1.00 0.91 H new ATOM 0 HH TYR A 90 -10.338 -5.872 6.833 1.00 1.13 H new ATOM 1365 N ILE A 91 -8.452 1.107 3.556 1.00 0.48 N ATOM 1366 CA ILE A 91 -9.719 1.817 3.429 1.00 0.53 C ATOM 1367 C ILE A 91 -10.177 1.904 1.972 1.00 0.61 C ATOM 1368 O ILE A 91 -11.115 1.211 1.580 1.00 0.86 O ATOM 1369 CB ILE A 91 -9.624 3.239 4.020 1.00 0.50 C ATOM 1370 CG1 ILE A 91 -9.291 3.177 5.511 1.00 0.47 C ATOM 1371 CG2 ILE A 91 -10.926 3.993 3.811 1.00 0.60 C ATOM 1372 CD1 ILE A 91 -9.236 4.539 6.168 1.00 0.51 C ATOM 0 H ILE A 91 -7.621 1.692 3.467 1.00 0.48 H new ATOM 0 HA ILE A 91 -10.456 1.243 3.992 1.00 0.53 H new ATOM 0 HB ILE A 91 -8.825 3.770 3.502 1.00 0.50 H new ATOM 0 HG12 ILE A 91 -10.038 2.566 6.018 1.00 0.47 H new ATOM 0 HG13 ILE A 91 -8.330 2.679 5.641 1.00 0.47 H new ATOM 0 HG21 ILE A 91 -10.839 4.994 4.235 1.00 0.60 H new ATOM 0 HG22 ILE A 91 -11.136 4.068 2.744 1.00 0.60 H new ATOM 0 HG23 ILE A 91 -11.739 3.460 4.304 1.00 0.60 H new ATOM 0 HD11 ILE A 91 -8.995 4.424 7.225 1.00 0.51 H new ATOM 0 HD12 ILE A 91 -8.469 5.145 5.685 1.00 0.51 H new ATOM 0 HD13 ILE A 91 -10.204 5.031 6.068 1.00 0.51 H new