USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=27 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 -39:sc= 0.33! USER MOD Set 1.2: A 30 HIS : no HE2:sc= -0.262 K(o=-12,f=-22!) USER MOD Set 1.3: A 33 GLN : amide:sc= -12.3! C(o=-12!,f=-11!) USER MOD Set 2.1: A 28 TYR OH : rot -135:sc= 0.436 USER MOD Set 2.2: A 32 LYS NZ :NH3+ -136:sc= 0.894 (180deg=0.0709) USER MOD Single : A 7 LYS NZ :NH3+ 174:sc= -3.06! (180deg=-3.49!) USER MOD Single : A 13 LYS NZ :NH3+ -170:sc= -0.335 (180deg=-0.679) USER MOD Single : A 14 HIS : no HE2:sc= -0.626! C(o=-0.63!,f=-6.1!) USER MOD Single : A 16 LYS NZ :NH3+ -114:sc= 0.809 (180deg=-0.0806) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -117:sc= 0.0521 (180deg=-2.31!) USER MOD Single : A 24 MET CE :methyl 154:sc= -0.106 (180deg=-0.738) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -84:sc= 0.63 USER MOD Single : A 40 ASN : amide:sc= 0.192 X(o=0.19,f=-0.099) USER MOD Single : A 41 THR OG1 : rot 89:sc= 0.218 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 165:sc=-0.00056 (180deg=-0.0717) USER MOD Single : A 59 ASN : amide:sc= -0.497 X(o=-0.5,f=-0.69) USER MOD Single : A 62 LYS NZ :NH3+ -135:sc= -0.626 (180deg=-2.2!) USER MOD Single : A 64 THR OG1 : rot 90:sc= 0.778 USER MOD Single : A 65 SER OG : rot -170:sc= -0.0134 USER MOD Single : A 66 LYS NZ :NH3+ 131:sc= -0.755! (180deg=-2.31!) USER MOD Single : A 70 MET CE :methyl -118:sc= 0 (180deg=-1.48) USER MOD Single : A 71 LYS NZ :NH3+ -167:sc= -0.0109 (180deg=-0.319) USER MOD Single : A 73 TYR OH : rot 70:sc= -1.68 USER MOD Single : A 76 LYS NZ :NH3+ -130:sc= -2.43! (180deg=-3.96!) USER MOD Single : A 81 LYS NZ :NH3+ -136:sc= 1.11 (180deg=-0.923!) USER MOD Single : A 82 LYS NZ :NH3+ -105:sc= -1.3! (180deg=-2!) USER MOD Single : A 83 LYS NZ :NH3+ -137:sc= -1.1! (180deg=-4.17!) USER MOD Single : A 84 TYR OH : rot 166:sc= 0.469 USER MOD ----------------------------------------------------------------- ATOM 41 N GLU A 4 4.759 1.648 -1.046 1.00 0.32 N ATOM 42 CA GLU A 4 5.460 0.446 -0.574 1.00 0.36 C ATOM 43 C GLU A 4 6.799 0.320 -1.256 1.00 0.32 C ATOM 44 O GLU A 4 7.809 -0.095 -0.727 1.00 0.35 O ATOM 45 CB GLU A 4 4.477 -0.700 -0.855 1.00 0.50 C ATOM 46 CG GLU A 4 3.300 -0.745 0.220 1.00 0.82 C ATOM 47 CD GLU A 4 2.152 0.297 0.103 1.00 1.90 C ATOM 48 OE1 GLU A 4 2.412 1.486 0.061 1.00 2.40 O ATOM 49 OE2 GLU A 4 1.030 -0.178 0.061 1.00 2.57 O ATOM 0 HA GLU A 4 5.714 0.459 0.486 1.00 0.36 H new ATOM 0 HB2 GLU A 4 4.054 -0.580 -1.853 1.00 0.50 H new ATOM 0 HB3 GLU A 4 5.013 -1.649 -0.848 1.00 0.50 H new ATOM 0 HG2 GLU A 4 2.852 -1.738 0.181 1.00 0.82 H new ATOM 0 HG3 GLU A 4 3.748 -0.636 1.208 1.00 0.82 H new ATOM 56 N PHE A 5 6.731 0.746 -2.460 1.00 0.27 N ATOM 57 CA PHE A 5 7.885 0.735 -3.356 1.00 0.24 C ATOM 58 C PHE A 5 8.782 1.970 -3.133 1.00 0.25 C ATOM 59 O PHE A 5 9.971 1.826 -2.938 1.00 0.29 O ATOM 60 CB PHE A 5 7.201 0.623 -4.670 1.00 0.20 C ATOM 61 CG PHE A 5 8.221 0.879 -5.749 1.00 0.16 C ATOM 62 CD1 PHE A 5 8.564 2.167 -6.031 1.00 1.21 C ATOM 63 CD2 PHE A 5 8.819 -0.165 -6.418 1.00 1.19 C ATOM 64 CE1 PHE A 5 9.510 2.418 -6.984 1.00 1.15 C ATOM 65 CE2 PHE A 5 9.771 0.066 -7.378 1.00 1.26 C ATOM 66 CZ PHE A 5 10.115 1.375 -7.658 1.00 0.16 C ATOM 0 H PHE A 5 5.880 1.120 -2.880 1.00 0.27 H new ATOM 0 HA PHE A 5 8.614 -0.064 -3.218 1.00 0.24 H new ATOM 0 HB2 PHE A 5 6.762 -0.368 -4.788 1.00 0.20 H new ATOM 0 HB3 PHE A 5 6.386 1.343 -4.738 1.00 0.20 H new ATOM 0 HD1 PHE A 5 8.092 2.983 -5.505 1.00 1.21 H new ATOM 0 HD2 PHE A 5 8.535 -1.180 -6.184 1.00 1.19 H new ATOM 0 HE1 PHE A 5 9.786 3.437 -7.212 1.00 1.15 H new ATOM 0 HE2 PHE A 5 10.240 -0.754 -7.902 1.00 1.26 H new ATOM 0 HZ PHE A 5 10.862 1.584 -8.409 1.00 0.16 H new ATOM 76 N ASP A 6 8.221 3.145 -3.180 1.00 0.21 N ATOM 77 CA ASP A 6 8.991 4.403 -2.969 1.00 0.18 C ATOM 78 C ASP A 6 9.947 4.195 -1.803 1.00 0.08 C ATOM 79 O ASP A 6 11.142 4.439 -1.823 1.00 0.08 O ATOM 80 CB ASP A 6 7.931 5.448 -2.705 1.00 0.29 C ATOM 81 CG ASP A 6 6.902 5.417 -3.816 1.00 0.47 C ATOM 82 OD1 ASP A 6 5.987 4.619 -3.679 1.00 1.49 O ATOM 83 OD2 ASP A 6 7.111 6.182 -4.732 1.00 0.99 O ATOM 0 H ASP A 6 7.228 3.290 -3.362 1.00 0.21 H new ATOM 0 HA ASP A 6 9.612 4.708 -3.811 1.00 0.18 H new ATOM 0 HB2 ASP A 6 7.451 5.259 -1.745 1.00 0.29 H new ATOM 0 HB3 ASP A 6 8.387 6.436 -2.645 1.00 0.29 H new ATOM 88 N LYS A 7 9.288 3.699 -0.793 1.00 0.08 N ATOM 89 CA LYS A 7 10.007 3.396 0.472 1.00 0.11 C ATOM 90 C LYS A 7 11.194 2.535 0.016 1.00 0.20 C ATOM 91 O LYS A 7 12.313 2.941 0.202 1.00 0.38 O ATOM 92 CB LYS A 7 9.025 2.650 1.404 1.00 0.12 C ATOM 93 CG LYS A 7 9.594 2.361 2.818 1.00 0.18 C ATOM 94 CD LYS A 7 10.020 3.713 3.500 1.00 1.91 C ATOM 95 CE LYS A 7 10.473 3.507 4.942 1.00 2.21 C ATOM 96 NZ LYS A 7 11.610 2.537 4.923 1.00 1.94 N ATOM 0 H LYS A 7 8.289 3.492 -0.790 1.00 0.08 H new ATOM 0 HA LYS A 7 10.363 4.260 1.033 1.00 0.11 H new ATOM 0 HB2 LYS A 7 8.115 3.241 1.504 1.00 0.12 H new ATOM 0 HB3 LYS A 7 8.743 1.706 0.937 1.00 0.12 H new ATOM 0 HG2 LYS A 7 8.844 1.855 3.427 1.00 0.18 H new ATOM 0 HG3 LYS A 7 10.451 1.692 2.747 1.00 0.18 H new ATOM 0 HD2 LYS A 7 10.828 4.169 2.928 1.00 1.91 H new ATOM 0 HD3 LYS A 7 9.182 4.410 3.479 1.00 1.91 H new ATOM 0 HE2 LYS A 7 10.784 4.453 5.385 1.00 2.21 H new ATOM 0 HE3 LYS A 7 9.653 3.125 5.550 1.00 2.21 H new ATOM 0 HZ1 LYS A 7 12.009 2.451 5.879 1.00 1.94 H new ATOM 0 HZ2 LYS A 7 11.268 1.607 4.606 1.00 1.94 H new ATOM 0 HZ3 LYS A 7 12.345 2.876 4.270 1.00 1.94 H new ATOM 110 N ALA A 8 10.940 1.395 -0.577 1.00 0.12 N ATOM 111 CA ALA A 8 12.062 0.506 -1.053 1.00 0.24 C ATOM 112 C ALA A 8 13.163 1.323 -1.806 1.00 0.30 C ATOM 113 O ALA A 8 14.344 1.220 -1.551 1.00 0.43 O ATOM 114 CB ALA A 8 11.458 -0.571 -1.960 1.00 0.26 C ATOM 0 H ALA A 8 10.003 1.035 -0.756 1.00 0.12 H new ATOM 0 HA ALA A 8 12.553 0.044 -0.196 1.00 0.24 H new ATOM 0 HB1 ALA A 8 12.249 -1.229 -2.319 1.00 0.26 H new ATOM 0 HB2 ALA A 8 10.729 -1.153 -1.397 1.00 0.26 H new ATOM 0 HB3 ALA A 8 10.966 -0.097 -2.810 1.00 0.26 H new ATOM 120 N ALA A 9 12.743 2.126 -2.743 1.00 0.23 N ATOM 121 CA ALA A 9 13.722 2.963 -3.521 1.00 0.28 C ATOM 122 C ALA A 9 14.676 3.721 -2.577 1.00 0.30 C ATOM 123 O ALA A 9 15.869 3.822 -2.777 1.00 0.56 O ATOM 124 CB ALA A 9 12.944 3.945 -4.352 1.00 0.22 C ATOM 0 H ALA A 9 11.766 2.245 -3.010 1.00 0.23 H new ATOM 0 HA ALA A 9 14.326 2.315 -4.156 1.00 0.28 H new ATOM 0 HB1 ALA A 9 13.634 4.564 -4.926 1.00 0.22 H new ATOM 0 HB2 ALA A 9 12.288 3.405 -5.035 1.00 0.22 H new ATOM 0 HB3 ALA A 9 12.345 4.580 -3.699 1.00 0.22 H new ATOM 130 N GLU A 10 14.098 4.214 -1.527 1.00 0.31 N ATOM 131 CA GLU A 10 14.925 4.981 -0.548 1.00 0.35 C ATOM 132 C GLU A 10 15.702 3.948 0.223 1.00 0.32 C ATOM 133 O GLU A 10 16.910 4.024 0.298 1.00 0.32 O ATOM 134 CB GLU A 10 13.944 5.806 0.308 1.00 0.43 C ATOM 135 CG GLU A 10 13.166 6.803 -0.622 1.00 1.26 C ATOM 136 CD GLU A 10 14.050 7.901 -1.250 1.00 2.60 C ATOM 137 OE1 GLU A 10 14.894 7.552 -2.061 1.00 3.67 O ATOM 138 OE2 GLU A 10 13.826 9.035 -0.872 1.00 2.69 O ATOM 0 H GLU A 10 13.108 4.126 -1.300 1.00 0.31 H new ATOM 0 HA GLU A 10 15.637 5.683 -0.983 1.00 0.35 H new ATOM 0 HB2 GLU A 10 13.244 5.146 0.820 1.00 0.43 H new ATOM 0 HB3 GLU A 10 14.486 6.355 1.078 1.00 0.43 H new ATOM 0 HG2 GLU A 10 12.685 6.238 -1.421 1.00 1.26 H new ATOM 0 HG3 GLU A 10 12.372 7.277 -0.045 1.00 1.26 H new ATOM 145 N GLU A 11 14.968 3.014 0.751 1.00 0.32 N ATOM 146 CA GLU A 11 15.457 1.859 1.561 1.00 0.41 C ATOM 147 C GLU A 11 16.785 1.353 0.943 1.00 0.34 C ATOM 148 O GLU A 11 17.838 1.314 1.544 1.00 0.45 O ATOM 149 CB GLU A 11 14.256 0.919 1.493 1.00 0.62 C ATOM 150 CG GLU A 11 13.171 1.257 2.564 1.00 0.74 C ATOM 151 CD GLU A 11 12.793 0.096 3.498 1.00 1.14 C ATOM 152 OE1 GLU A 11 12.552 -0.970 2.963 1.00 2.33 O ATOM 153 OE2 GLU A 11 12.738 0.318 4.700 1.00 0.38 O ATOM 0 H GLU A 11 13.954 3.006 0.642 1.00 0.32 H new ATOM 0 HA GLU A 11 15.729 2.037 2.602 1.00 0.41 H new ATOM 0 HB2 GLU A 11 13.811 0.975 0.500 1.00 0.62 H new ATOM 0 HB3 GLU A 11 14.594 -0.108 1.634 1.00 0.62 H new ATOM 0 HG2 GLU A 11 13.528 2.089 3.171 1.00 0.74 H new ATOM 0 HG3 GLU A 11 12.271 1.599 2.052 1.00 0.74 H new ATOM 160 N VAL A 12 16.708 0.968 -0.295 1.00 0.28 N ATOM 161 CA VAL A 12 17.848 0.472 -1.075 1.00 0.23 C ATOM 162 C VAL A 12 18.822 1.645 -1.196 1.00 0.16 C ATOM 163 O VAL A 12 20.019 1.447 -1.137 1.00 0.19 O ATOM 164 CB VAL A 12 17.219 -0.028 -2.379 1.00 0.25 C ATOM 165 CG1 VAL A 12 17.300 0.909 -3.538 1.00 0.29 C ATOM 166 CG2 VAL A 12 17.799 -1.344 -2.728 1.00 0.21 C ATOM 0 H VAL A 12 15.835 0.983 -0.823 1.00 0.28 H new ATOM 0 HA VAL A 12 18.429 -0.349 -0.654 1.00 0.23 H new ATOM 0 HB VAL A 12 16.151 -0.109 -2.178 1.00 0.25 H new ATOM 0 HG11 VAL A 12 16.825 0.455 -4.407 1.00 0.29 H new ATOM 0 HG12 VAL A 12 16.789 1.839 -3.290 1.00 0.29 H new ATOM 0 HG13 VAL A 12 18.346 1.118 -3.764 1.00 0.29 H new ATOM 0 HG21 VAL A 12 17.354 -1.703 -3.656 1.00 0.21 H new ATOM 0 HG22 VAL A 12 18.877 -1.244 -2.858 1.00 0.21 H new ATOM 0 HG23 VAL A 12 17.594 -2.055 -1.928 1.00 0.21 H new ATOM 176 N LYS A 13 18.361 2.862 -1.360 1.00 0.15 N ATOM 177 CA LYS A 13 19.352 3.969 -1.451 1.00 0.17 C ATOM 178 C LYS A 13 20.076 4.156 -0.101 1.00 0.24 C ATOM 179 O LYS A 13 21.008 4.932 0.005 1.00 0.33 O ATOM 180 CB LYS A 13 18.610 5.238 -1.882 1.00 0.17 C ATOM 181 CG LYS A 13 18.762 5.330 -3.425 1.00 0.11 C ATOM 182 CD LYS A 13 18.212 6.669 -3.988 1.00 0.54 C ATOM 183 CE LYS A 13 19.360 7.642 -4.303 1.00 0.47 C ATOM 184 NZ LYS A 13 20.227 7.745 -3.084 1.00 1.57 N ATOM 0 H LYS A 13 17.379 3.127 -1.432 1.00 0.15 H new ATOM 0 HA LYS A 13 20.120 3.737 -2.189 1.00 0.17 H new ATOM 0 HB2 LYS A 13 17.559 5.189 -1.597 1.00 0.17 H new ATOM 0 HB3 LYS A 13 19.031 6.118 -1.397 1.00 0.17 H new ATOM 0 HG2 LYS A 13 19.814 5.230 -3.692 1.00 0.11 H new ATOM 0 HG3 LYS A 13 18.235 4.498 -3.891 1.00 0.11 H new ATOM 0 HD2 LYS A 13 17.633 6.478 -4.892 1.00 0.54 H new ATOM 0 HD3 LYS A 13 17.534 7.122 -3.264 1.00 0.54 H new ATOM 0 HE2 LYS A 13 19.940 7.285 -5.154 1.00 0.47 H new ATOM 0 HE3 LYS A 13 18.966 8.621 -4.574 1.00 0.47 H new ATOM 0 HZ1 LYS A 13 20.910 8.520 -3.208 1.00 1.57 H new ATOM 0 HZ2 LYS A 13 19.634 7.936 -2.251 1.00 1.57 H new ATOM 0 HZ3 LYS A 13 20.739 6.851 -2.946 1.00 1.57 H new ATOM 198 N HIS A 14 19.633 3.429 0.892 1.00 0.26 N ATOM 199 CA HIS A 14 20.279 3.535 2.222 1.00 0.33 C ATOM 200 C HIS A 14 21.267 2.360 2.347 1.00 0.25 C ATOM 201 O HIS A 14 21.877 2.207 3.387 1.00 0.35 O ATOM 202 CB HIS A 14 19.191 3.474 3.331 1.00 0.66 C ATOM 203 CG HIS A 14 18.367 4.763 3.392 1.00 0.85 C ATOM 204 ND1 HIS A 14 17.365 5.082 2.638 1.00 0.61 N ATOM 205 CD2 HIS A 14 18.507 5.844 4.238 1.00 1.39 C ATOM 206 CE1 HIS A 14 16.916 6.254 2.979 1.00 0.91 C ATOM 207 NE2 HIS A 14 17.601 6.761 3.971 1.00 1.44 N ATOM 0 H HIS A 14 18.855 2.771 0.835 1.00 0.26 H new ATOM 0 HA HIS A 14 20.813 4.479 2.333 1.00 0.33 H new ATOM 0 HB2 HIS A 14 18.529 2.628 3.144 1.00 0.66 H new ATOM 0 HB3 HIS A 14 19.666 3.300 4.297 1.00 0.66 H new ATOM 0 HD1 HIS A 14 16.985 4.502 1.890 1.00 0.61 H new ATOM 0 HD2 HIS A 14 19.256 5.926 5.012 1.00 1.39 H new ATOM 0 HE1 HIS A 14 16.082 6.747 2.502 1.00 0.91 H new ATOM 215 N LEU A 15 21.424 1.544 1.322 1.00 0.35 N ATOM 216 CA LEU A 15 22.373 0.408 1.391 1.00 0.66 C ATOM 217 C LEU A 15 23.822 0.861 1.499 1.00 0.81 C ATOM 218 O LEU A 15 24.575 0.858 0.545 1.00 0.93 O ATOM 219 CB LEU A 15 22.134 -0.412 0.154 1.00 0.70 C ATOM 220 CG LEU A 15 20.758 -1.034 0.273 1.00 0.40 C ATOM 221 CD1 LEU A 15 20.504 -1.683 -1.033 1.00 0.36 C ATOM 222 CD2 LEU A 15 20.729 -2.133 1.341 1.00 0.57 C ATOM 0 H LEU A 15 20.923 1.629 0.437 1.00 0.35 H new ATOM 0 HA LEU A 15 22.200 -0.178 2.294 1.00 0.66 H new ATOM 0 HB2 LEU A 15 22.196 0.213 -0.737 1.00 0.70 H new ATOM 0 HB3 LEU A 15 22.896 -1.185 0.054 1.00 0.70 H new ATOM 0 HG LEU A 15 20.025 -0.274 0.543 1.00 0.40 H new ATOM 0 HD11 LEU A 15 19.522 -2.156 -1.020 1.00 0.36 H new ATOM 0 HD12 LEU A 15 20.535 -0.934 -1.824 1.00 0.36 H new ATOM 0 HD13 LEU A 15 21.268 -2.438 -1.219 1.00 0.36 H new ATOM 0 HD21 LEU A 15 19.727 -2.557 1.399 1.00 0.57 H new ATOM 0 HD22 LEU A 15 21.440 -2.916 1.077 1.00 0.57 H new ATOM 0 HD23 LEU A 15 21.000 -1.708 2.308 1.00 0.57 H new ATOM 234 N LYS A 16 24.113 1.249 2.708 1.00 0.85 N ATOM 235 CA LYS A 16 25.447 1.743 3.151 1.00 0.87 C ATOM 236 C LYS A 16 26.610 1.183 2.310 1.00 0.87 C ATOM 237 O LYS A 16 27.581 1.854 2.028 1.00 1.09 O ATOM 238 CB LYS A 16 25.493 1.361 4.666 1.00 0.85 C ATOM 239 CG LYS A 16 26.590 2.129 5.444 1.00 1.69 C ATOM 240 CD LYS A 16 26.049 2.497 6.880 1.00 1.56 C ATOM 241 CE LYS A 16 25.613 1.262 7.728 1.00 0.67 C ATOM 242 NZ LYS A 16 24.125 1.321 7.987 1.00 1.05 N ATOM 0 H LYS A 16 23.425 1.241 3.461 1.00 0.85 H new ATOM 0 HA LYS A 16 25.574 2.816 3.007 1.00 0.87 H new ATOM 0 HB2 LYS A 16 24.522 1.566 5.118 1.00 0.85 H new ATOM 0 HB3 LYS A 16 25.669 0.289 4.761 1.00 0.85 H new ATOM 0 HG2 LYS A 16 27.489 1.518 5.527 1.00 1.69 H new ATOM 0 HG3 LYS A 16 26.869 3.034 4.905 1.00 1.69 H new ATOM 0 HD2 LYS A 16 26.823 3.041 7.421 1.00 1.56 H new ATOM 0 HD3 LYS A 16 25.199 3.172 6.775 1.00 1.56 H new ATOM 0 HE2 LYS A 16 25.864 0.341 7.202 1.00 0.67 H new ATOM 0 HE3 LYS A 16 26.156 1.248 8.673 1.00 0.67 H new ATOM 0 HZ1 LYS A 16 23.955 1.457 9.004 1.00 1.05 H new ATOM 0 HZ2 LYS A 16 23.712 2.115 7.457 1.00 1.05 H new ATOM 0 HZ3 LYS A 16 23.683 0.432 7.678 1.00 1.05 H new ATOM 256 N THR A 17 26.424 -0.050 1.935 1.00 0.64 N ATOM 257 CA THR A 17 27.424 -0.807 1.123 1.00 0.59 C ATOM 258 C THR A 17 27.137 -1.462 -0.266 1.00 0.56 C ATOM 259 O THR A 17 26.574 -2.536 -0.322 1.00 0.59 O ATOM 260 CB THR A 17 27.984 -1.880 2.092 1.00 0.61 C ATOM 261 OG1 THR A 17 28.872 -1.187 2.958 1.00 0.68 O ATOM 262 CG2 THR A 17 28.824 -2.889 1.415 1.00 0.65 C ATOM 0 H THR A 17 25.588 -0.587 2.166 1.00 0.64 H new ATOM 0 HA THR A 17 28.071 -0.011 0.755 1.00 0.59 H new ATOM 0 HB THR A 17 27.143 -2.382 2.571 1.00 0.61 H new ATOM 0 HG1 THR A 17 29.260 -1.817 3.601 1.00 0.68 H new ATOM 0 HG21 THR A 17 29.186 -3.612 2.147 1.00 0.65 H new ATOM 0 HG22 THR A 17 28.234 -3.404 0.657 1.00 0.65 H new ATOM 0 HG23 THR A 17 29.673 -2.397 0.941 1.00 0.65 H new ATOM 270 N LYS A 18 27.519 -0.793 -1.338 1.00 0.58 N ATOM 271 CA LYS A 18 27.376 -1.242 -2.785 1.00 0.65 C ATOM 272 C LYS A 18 27.055 -2.749 -2.943 1.00 0.53 C ATOM 273 O LYS A 18 27.926 -3.564 -3.205 1.00 0.59 O ATOM 274 CB LYS A 18 28.710 -0.965 -3.554 1.00 0.79 C ATOM 275 CG LYS A 18 28.542 -1.315 -5.086 1.00 1.32 C ATOM 276 CD LYS A 18 29.853 -1.970 -5.632 1.00 1.59 C ATOM 277 CE LYS A 18 30.057 -3.373 -5.029 1.00 1.88 C ATOM 278 NZ LYS A 18 28.967 -4.236 -5.547 1.00 2.68 N ATOM 0 H LYS A 18 27.961 0.123 -1.263 1.00 0.58 H new ATOM 0 HA LYS A 18 26.538 -0.674 -3.190 1.00 0.65 H new ATOM 0 HB2 LYS A 18 28.992 0.082 -3.442 1.00 0.79 H new ATOM 0 HB3 LYS A 18 29.516 -1.560 -3.124 1.00 0.79 H new ATOM 0 HG2 LYS A 18 27.702 -1.996 -5.222 1.00 1.32 H new ATOM 0 HG3 LYS A 18 28.315 -0.411 -5.651 1.00 1.32 H new ATOM 0 HD2 LYS A 18 29.804 -2.040 -6.719 1.00 1.59 H new ATOM 0 HD3 LYS A 18 30.708 -1.338 -5.391 1.00 1.59 H new ATOM 0 HE2 LYS A 18 31.031 -3.774 -5.309 1.00 1.88 H new ATOM 0 HE3 LYS A 18 30.030 -3.331 -3.940 1.00 1.88 H new ATOM 0 HZ1 LYS A 18 28.376 -4.561 -4.756 1.00 2.68 H new ATOM 0 HZ2 LYS A 18 28.383 -3.694 -6.215 1.00 2.68 H new ATOM 0 HZ3 LYS A 18 29.377 -5.059 -6.034 1.00 2.68 H new ATOM 292 N PRO A 19 25.807 -3.085 -2.795 1.00 0.43 N ATOM 293 CA PRO A 19 25.374 -4.500 -2.911 1.00 0.28 C ATOM 294 C PRO A 19 25.922 -5.326 -4.096 1.00 0.14 C ATOM 295 O PRO A 19 26.512 -4.791 -5.017 1.00 0.25 O ATOM 296 CB PRO A 19 23.873 -4.371 -2.887 1.00 0.39 C ATOM 297 CG PRO A 19 23.638 -3.096 -2.043 1.00 0.51 C ATOM 298 CD PRO A 19 24.698 -2.141 -2.504 1.00 0.58 C ATOM 0 HA PRO A 19 25.793 -5.104 -2.106 1.00 0.28 H new ATOM 0 HB2 PRO A 19 23.462 -4.270 -3.891 1.00 0.39 H new ATOM 0 HB3 PRO A 19 23.401 -5.244 -2.436 1.00 0.39 H new ATOM 0 HG2 PRO A 19 22.640 -2.690 -2.206 1.00 0.51 H new ATOM 0 HG3 PRO A 19 23.727 -3.304 -0.977 1.00 0.51 H new ATOM 0 HD2 PRO A 19 24.392 -1.577 -3.385 1.00 0.58 H new ATOM 0 HD3 PRO A 19 24.963 -1.414 -1.736 1.00 0.58 H new ATOM 306 N ALA A 20 25.720 -6.620 -4.077 1.00 0.06 N ATOM 307 CA ALA A 20 26.228 -7.479 -5.195 1.00 0.26 C ATOM 308 C ALA A 20 25.548 -6.981 -6.463 1.00 0.38 C ATOM 309 O ALA A 20 24.355 -7.107 -6.670 1.00 0.52 O ATOM 310 CB ALA A 20 25.862 -8.922 -4.964 1.00 0.33 C ATOM 0 H ALA A 20 25.226 -7.120 -3.338 1.00 0.06 H new ATOM 0 HA ALA A 20 27.314 -7.418 -5.265 1.00 0.26 H new ATOM 0 HB1 ALA A 20 26.240 -9.529 -5.787 1.00 0.33 H new ATOM 0 HB2 ALA A 20 26.303 -9.264 -4.028 1.00 0.33 H new ATOM 0 HB3 ALA A 20 24.778 -9.018 -4.910 1.00 0.33 H new ATOM 316 N ASP A 21 26.377 -6.417 -7.281 1.00 0.33 N ATOM 317 CA ASP A 21 25.909 -5.852 -8.561 1.00 0.30 C ATOM 318 C ASP A 21 24.839 -6.714 -9.294 1.00 0.25 C ATOM 319 O ASP A 21 24.057 -6.117 -9.989 1.00 0.32 O ATOM 320 CB ASP A 21 27.222 -5.554 -9.350 1.00 0.27 C ATOM 321 CG ASP A 21 28.116 -4.773 -8.381 1.00 0.55 C ATOM 322 OD1 ASP A 21 27.915 -3.572 -8.232 1.00 1.38 O ATOM 323 OD2 ASP A 21 28.965 -5.412 -7.794 1.00 1.54 O ATOM 0 H ASP A 21 27.378 -6.323 -7.112 1.00 0.33 H new ATOM 0 HA ASP A 21 25.331 -4.938 -8.428 1.00 0.30 H new ATOM 0 HB2 ASP A 21 27.705 -6.477 -9.671 1.00 0.27 H new ATOM 0 HB3 ASP A 21 27.016 -4.973 -10.249 1.00 0.27 H new ATOM 328 N GLU A 22 24.771 -8.021 -9.159 1.00 0.30 N ATOM 329 CA GLU A 22 23.720 -8.838 -9.853 1.00 0.32 C ATOM 330 C GLU A 22 22.379 -8.510 -9.136 1.00 0.38 C ATOM 331 O GLU A 22 21.336 -8.301 -9.734 1.00 0.35 O ATOM 332 CB GLU A 22 24.074 -10.339 -9.708 1.00 0.34 C ATOM 333 CG GLU A 22 25.309 -10.713 -10.579 1.00 0.33 C ATOM 334 CD GLU A 22 25.771 -12.187 -10.381 1.00 0.53 C ATOM 335 OE1 GLU A 22 25.433 -12.757 -9.353 1.00 1.05 O ATOM 336 OE2 GLU A 22 26.452 -12.662 -11.280 1.00 1.18 O ATOM 0 H GLU A 22 25.414 -8.566 -8.585 1.00 0.30 H new ATOM 0 HA GLU A 22 23.650 -8.614 -10.917 1.00 0.32 H new ATOM 0 HB2 GLU A 22 24.281 -10.567 -8.662 1.00 0.34 H new ATOM 0 HB3 GLU A 22 23.219 -10.947 -10.004 1.00 0.34 H new ATOM 0 HG2 GLU A 22 25.068 -10.552 -11.630 1.00 0.33 H new ATOM 0 HG3 GLU A 22 26.134 -10.044 -10.335 1.00 0.33 H new ATOM 343 N GLU A 23 22.440 -8.464 -7.831 1.00 0.47 N ATOM 344 CA GLU A 23 21.241 -8.144 -7.024 1.00 0.47 C ATOM 345 C GLU A 23 20.939 -6.668 -7.366 1.00 0.41 C ATOM 346 O GLU A 23 19.772 -6.322 -7.472 1.00 0.40 O ATOM 347 CB GLU A 23 21.609 -8.409 -5.511 1.00 0.56 C ATOM 348 CG GLU A 23 21.921 -9.962 -5.356 1.00 0.71 C ATOM 349 CD GLU A 23 21.156 -10.532 -4.174 1.00 1.30 C ATOM 350 OE1 GLU A 23 19.933 -10.501 -4.281 1.00 2.28 O ATOM 351 OE2 GLU A 23 21.787 -10.961 -3.214 1.00 1.38 O ATOM 0 H GLU A 23 23.286 -8.638 -7.288 1.00 0.47 H new ATOM 0 HA GLU A 23 20.353 -8.743 -7.225 1.00 0.47 H new ATOM 0 HB2 GLU A 23 22.474 -7.814 -5.217 1.00 0.56 H new ATOM 0 HB3 GLU A 23 20.785 -8.117 -4.860 1.00 0.56 H new ATOM 0 HG2 GLU A 23 21.643 -10.490 -6.268 1.00 0.71 H new ATOM 0 HG3 GLU A 23 22.991 -10.114 -5.214 1.00 0.71 H new ATOM 358 N MET A 24 21.971 -5.848 -7.544 1.00 0.37 N ATOM 359 CA MET A 24 21.731 -4.426 -7.890 1.00 0.37 C ATOM 360 C MET A 24 20.992 -4.582 -9.254 1.00 0.43 C ATOM 361 O MET A 24 19.885 -4.127 -9.371 1.00 0.57 O ATOM 362 CB MET A 24 23.122 -3.708 -7.987 1.00 0.31 C ATOM 363 CG MET A 24 23.869 -3.589 -6.638 1.00 0.29 C ATOM 364 SD MET A 24 25.210 -2.364 -6.610 1.00 0.55 S ATOM 365 CE MET A 24 24.180 -0.881 -6.737 1.00 0.32 C ATOM 0 H MET A 24 22.951 -6.117 -7.461 1.00 0.37 H new ATOM 0 HA MET A 24 21.156 -3.824 -7.186 1.00 0.37 H new ATOM 0 HB2 MET A 24 23.751 -4.253 -8.691 1.00 0.31 H new ATOM 0 HB3 MET A 24 22.975 -2.709 -8.398 1.00 0.31 H new ATOM 0 HG2 MET A 24 23.148 -3.334 -5.862 1.00 0.29 H new ATOM 0 HG3 MET A 24 24.282 -4.564 -6.381 1.00 0.29 H new ATOM 0 HE1 MET A 24 24.703 -0.035 -6.290 1.00 0.32 H new ATOM 0 HE2 MET A 24 23.976 -0.668 -7.786 1.00 0.32 H new ATOM 0 HE3 MET A 24 23.240 -1.045 -6.211 1.00 0.32 H new ATOM 375 N LEU A 25 21.581 -5.186 -10.249 1.00 0.37 N ATOM 376 CA LEU A 25 20.971 -5.419 -11.590 1.00 0.37 C ATOM 377 C LEU A 25 19.426 -5.621 -11.475 1.00 0.38 C ATOM 378 O LEU A 25 18.637 -4.841 -11.999 1.00 0.37 O ATOM 379 CB LEU A 25 21.749 -6.649 -12.126 1.00 0.38 C ATOM 380 CG LEU A 25 22.960 -6.241 -12.936 1.00 0.33 C ATOM 381 CD1 LEU A 25 24.116 -7.183 -12.966 1.00 0.24 C ATOM 382 CD2 LEU A 25 22.553 -5.966 -14.370 1.00 0.37 C ATOM 0 H LEU A 25 22.530 -5.553 -10.177 1.00 0.37 H new ATOM 0 HA LEU A 25 21.057 -4.578 -12.278 1.00 0.37 H new ATOM 0 HB2 LEU A 25 22.065 -7.272 -11.289 1.00 0.38 H new ATOM 0 HB3 LEU A 25 21.087 -7.257 -12.743 1.00 0.38 H new ATOM 0 HG LEU A 25 23.320 -5.358 -12.408 1.00 0.33 H new ATOM 0 HD11 LEU A 25 24.911 -6.764 -13.582 1.00 0.24 H new ATOM 0 HD12 LEU A 25 24.486 -7.338 -11.952 1.00 0.24 H new ATOM 0 HD13 LEU A 25 23.797 -8.137 -13.385 1.00 0.24 H new ATOM 0 HD21 LEU A 25 23.430 -5.673 -14.947 1.00 0.37 H new ATOM 0 HD22 LEU A 25 22.117 -6.866 -14.804 1.00 0.37 H new ATOM 0 HD23 LEU A 25 21.819 -5.161 -14.392 1.00 0.37 H new ATOM 394 N PHE A 26 19.049 -6.671 -10.771 1.00 0.41 N ATOM 395 CA PHE A 26 17.584 -6.951 -10.597 1.00 0.42 C ATOM 396 C PHE A 26 16.886 -5.730 -10.007 1.00 0.38 C ATOM 397 O PHE A 26 15.923 -5.204 -10.534 1.00 0.36 O ATOM 398 CB PHE A 26 17.389 -8.133 -9.650 1.00 0.52 C ATOM 399 CG PHE A 26 15.879 -8.372 -9.457 1.00 0.49 C ATOM 400 CD1 PHE A 26 15.065 -7.509 -8.713 1.00 0.75 C ATOM 401 CD2 PHE A 26 15.314 -9.483 -10.053 1.00 1.51 C ATOM 402 CE1 PHE A 26 13.715 -7.781 -8.583 1.00 0.77 C ATOM 403 CE2 PHE A 26 13.971 -9.743 -9.918 1.00 1.48 C ATOM 404 CZ PHE A 26 13.179 -8.891 -9.184 1.00 0.46 C ATOM 0 H PHE A 26 19.680 -7.333 -10.319 1.00 0.41 H new ATOM 0 HA PHE A 26 17.157 -7.184 -11.572 1.00 0.42 H new ATOM 0 HB2 PHE A 26 17.863 -9.026 -10.058 1.00 0.52 H new ATOM 0 HB3 PHE A 26 17.865 -7.930 -8.690 1.00 0.52 H new ATOM 0 HD1 PHE A 26 15.490 -6.634 -8.243 1.00 0.75 H new ATOM 0 HD2 PHE A 26 15.933 -10.153 -10.630 1.00 1.51 H new ATOM 0 HE1 PHE A 26 13.083 -7.120 -8.009 1.00 0.77 H new ATOM 0 HE2 PHE A 26 13.539 -10.614 -10.387 1.00 1.48 H new ATOM 0 HZ PHE A 26 12.124 -9.098 -9.080 1.00 0.46 H new ATOM 414 N ILE A 27 17.414 -5.320 -8.889 1.00 0.41 N ATOM 415 CA ILE A 27 16.856 -4.150 -8.192 1.00 0.41 C ATOM 416 C ILE A 27 16.682 -2.998 -9.203 1.00 0.38 C ATOM 417 O ILE A 27 15.591 -2.481 -9.310 1.00 0.33 O ATOM 418 CB ILE A 27 17.831 -3.891 -7.057 1.00 0.45 C ATOM 419 CG1 ILE A 27 17.719 -5.069 -6.031 1.00 0.44 C ATOM 420 CG2 ILE A 27 17.408 -2.553 -6.451 1.00 0.40 C ATOM 421 CD1 ILE A 27 16.665 -4.772 -5.016 1.00 0.43 C ATOM 0 H ILE A 27 18.215 -5.755 -8.431 1.00 0.41 H new ATOM 0 HA ILE A 27 15.859 -4.284 -7.773 1.00 0.41 H new ATOM 0 HB ILE A 27 18.872 -3.841 -7.377 1.00 0.45 H new ATOM 0 HG12 ILE A 27 17.479 -5.995 -6.554 1.00 0.44 H new ATOM 0 HG13 ILE A 27 18.678 -5.222 -5.536 1.00 0.44 H new ATOM 0 HG21 ILE A 27 18.071 -2.303 -5.623 1.00 0.40 H new ATOM 0 HG22 ILE A 27 17.467 -1.774 -7.211 1.00 0.40 H new ATOM 0 HG23 ILE A 27 16.384 -2.627 -6.086 1.00 0.40 H new ATOM 0 HD11 ILE A 27 16.597 -5.599 -4.309 1.00 0.43 H new ATOM 0 HD12 ILE A 27 16.922 -3.858 -4.481 1.00 0.43 H new ATOM 0 HD13 ILE A 27 15.705 -4.643 -5.516 1.00 0.43 H new ATOM 433 N TYR A 28 17.700 -2.588 -9.914 1.00 0.45 N ATOM 434 CA TYR A 28 17.457 -1.473 -10.893 1.00 0.48 C ATOM 435 C TYR A 28 16.400 -1.792 -11.935 1.00 0.46 C ATOM 436 O TYR A 28 15.444 -1.058 -12.042 1.00 0.51 O ATOM 437 CB TYR A 28 18.693 -1.195 -11.581 1.00 0.45 C ATOM 438 CG TYR A 28 18.586 -0.128 -12.656 1.00 0.51 C ATOM 439 CD1 TYR A 28 18.728 1.197 -12.319 1.00 0.68 C ATOM 440 CD2 TYR A 28 18.358 -0.471 -13.965 1.00 0.79 C ATOM 441 CE1 TYR A 28 18.642 2.163 -13.293 1.00 0.74 C ATOM 442 CE2 TYR A 28 18.276 0.507 -14.929 1.00 0.83 C ATOM 443 CZ TYR A 28 18.418 1.818 -14.600 1.00 0.65 C ATOM 444 OH TYR A 28 18.331 2.775 -15.578 1.00 0.73 O ATOM 0 H TYR A 28 18.651 -2.954 -9.869 1.00 0.45 H new ATOM 0 HA TYR A 28 17.095 -0.621 -10.318 1.00 0.48 H new ATOM 0 HB2 TYR A 28 19.439 -0.884 -10.850 1.00 0.45 H new ATOM 0 HB3 TYR A 28 19.057 -2.116 -12.036 1.00 0.45 H new ATOM 0 HD1 TYR A 28 18.907 1.478 -11.292 1.00 0.68 H new ATOM 0 HD2 TYR A 28 18.243 -1.509 -14.239 1.00 0.79 H new ATOM 0 HE1 TYR A 28 18.752 3.204 -13.026 1.00 0.74 H new ATOM 0 HE2 TYR A 28 18.097 0.230 -15.957 1.00 0.83 H new ATOM 0 HH TYR A 28 17.566 2.581 -16.159 1.00 0.73 H new ATOM 454 N SER A 29 16.590 -2.849 -12.677 1.00 0.40 N ATOM 455 CA SER A 29 15.572 -3.207 -13.724 1.00 0.39 C ATOM 456 C SER A 29 14.165 -3.021 -13.157 1.00 0.37 C ATOM 457 O SER A 29 13.349 -2.300 -13.703 1.00 0.43 O ATOM 458 CB SER A 29 15.823 -4.647 -14.136 1.00 0.36 C ATOM 459 OG SER A 29 15.748 -5.383 -12.919 1.00 0.55 O ATOM 0 H SER A 29 17.392 -3.476 -12.611 1.00 0.40 H new ATOM 0 HA SER A 29 15.658 -2.561 -14.598 1.00 0.39 H new ATOM 0 HB2 SER A 29 15.078 -4.990 -14.854 1.00 0.36 H new ATOM 0 HB3 SER A 29 16.798 -4.760 -14.609 1.00 0.36 H new ATOM 0 HG SER A 29 16.169 -4.868 -12.199 1.00 0.55 H new ATOM 465 N HIS A 30 13.919 -3.655 -12.049 1.00 0.28 N ATOM 466 CA HIS A 30 12.589 -3.544 -11.409 1.00 0.26 C ATOM 467 C HIS A 30 12.303 -2.084 -10.927 1.00 0.26 C ATOM 468 O HIS A 30 11.291 -1.516 -11.279 1.00 0.23 O ATOM 469 CB HIS A 30 12.673 -4.618 -10.345 1.00 0.29 C ATOM 470 CG HIS A 30 12.561 -5.936 -11.122 1.00 0.29 C ATOM 471 ND1 HIS A 30 13.426 -6.420 -11.958 1.00 1.29 N ATOM 472 CD2 HIS A 30 11.539 -6.857 -11.118 1.00 1.20 C ATOM 473 CE1 HIS A 30 12.982 -7.543 -12.436 1.00 0.97 C ATOM 474 NE2 HIS A 30 11.812 -7.852 -11.938 1.00 0.66 N ATOM 0 H HIS A 30 14.588 -4.248 -11.558 1.00 0.28 H new ATOM 0 HA HIS A 30 11.727 -3.711 -12.055 1.00 0.26 H new ATOM 0 HB2 HIS A 30 13.612 -4.560 -9.795 1.00 0.29 H new ATOM 0 HB3 HIS A 30 11.870 -4.518 -9.615 1.00 0.29 H new ATOM 0 HD1 HIS A 30 14.316 -5.986 -12.202 1.00 1.29 H new ATOM 0 HD2 HIS A 30 10.639 -6.776 -10.526 1.00 1.20 H new ATOM 0 HE1 HIS A 30 13.513 -8.148 -13.156 1.00 0.97 H new ATOM 482 N TYR A 31 13.168 -1.500 -10.145 1.00 0.28 N ATOM 483 CA TYR A 31 13.004 -0.094 -9.633 1.00 0.29 C ATOM 484 C TYR A 31 12.568 0.846 -10.781 1.00 0.34 C ATOM 485 O TYR A 31 11.633 1.616 -10.748 1.00 0.29 O ATOM 486 CB TYR A 31 14.344 0.412 -9.119 1.00 0.19 C ATOM 487 CG TYR A 31 14.271 1.874 -8.699 1.00 0.16 C ATOM 488 CD1 TYR A 31 13.370 2.363 -7.785 1.00 1.14 C ATOM 489 CD2 TYR A 31 15.142 2.731 -9.297 1.00 1.00 C ATOM 490 CE1 TYR A 31 13.362 3.715 -7.495 1.00 1.11 C ATOM 491 CE2 TYR A 31 15.131 4.074 -9.003 1.00 1.02 C ATOM 492 CZ TYR A 31 14.240 4.572 -8.100 1.00 0.12 C ATOM 493 OH TYR A 31 14.229 5.916 -7.798 1.00 0.14 O ATOM 0 H TYR A 31 14.022 -1.955 -9.822 1.00 0.28 H new ATOM 0 HA TYR A 31 12.253 -0.101 -8.843 1.00 0.29 H new ATOM 0 HB2 TYR A 31 14.661 -0.195 -8.271 1.00 0.19 H new ATOM 0 HB3 TYR A 31 15.100 0.294 -9.896 1.00 0.19 H new ATOM 0 HD1 TYR A 31 12.674 1.697 -7.297 1.00 1.14 H new ATOM 0 HD2 TYR A 31 15.854 2.350 -10.014 1.00 1.00 H new ATOM 0 HE1 TYR A 31 12.651 4.101 -6.779 1.00 1.11 H new ATOM 0 HE2 TYR A 31 15.831 4.737 -9.490 1.00 1.02 H new ATOM 0 HH TYR A 31 14.920 6.374 -8.320 1.00 0.14 H new ATOM 503 N LYS A 32 13.350 0.721 -11.805 1.00 0.45 N ATOM 504 CA LYS A 32 13.202 1.498 -13.054 1.00 0.49 C ATOM 505 C LYS A 32 11.930 1.222 -13.841 1.00 0.42 C ATOM 506 O LYS A 32 11.313 2.180 -14.269 1.00 0.34 O ATOM 507 CB LYS A 32 14.457 1.181 -13.776 1.00 0.47 C ATOM 508 CG LYS A 32 15.647 1.754 -12.947 1.00 0.46 C ATOM 509 CD LYS A 32 15.793 3.329 -12.940 1.00 0.47 C ATOM 510 CE LYS A 32 15.938 3.830 -14.369 1.00 0.81 C ATOM 511 NZ LYS A 32 17.029 4.860 -14.504 1.00 0.77 N ATOM 0 H LYS A 32 14.135 0.069 -11.825 1.00 0.45 H new ATOM 0 HA LYS A 32 13.074 2.565 -12.869 1.00 0.49 H new ATOM 0 HB2 LYS A 32 14.563 0.103 -13.901 1.00 0.47 H new ATOM 0 HB3 LYS A 32 14.443 1.618 -14.775 1.00 0.47 H new ATOM 0 HG2 LYS A 32 15.543 1.414 -11.917 1.00 0.46 H new ATOM 0 HG3 LYS A 32 16.572 1.325 -13.332 1.00 0.46 H new ATOM 0 HD2 LYS A 32 14.921 3.784 -12.470 1.00 0.47 H new ATOM 0 HD3 LYS A 32 16.662 3.622 -12.350 1.00 0.47 H new ATOM 0 HE2 LYS A 32 16.152 2.988 -15.027 1.00 0.81 H new ATOM 0 HE3 LYS A 32 14.992 4.260 -14.699 1.00 0.81 H new ATOM 0 HZ1 LYS A 32 16.693 5.645 -15.097 1.00 0.77 H new ATOM 0 HZ2 LYS A 32 17.284 5.221 -13.563 1.00 0.77 H new ATOM 0 HZ3 LYS A 32 17.864 4.425 -14.945 1.00 0.77 H new ATOM 525 N GLN A 33 11.554 -0.018 -14.055 1.00 0.46 N ATOM 526 CA GLN A 33 10.290 -0.236 -14.809 1.00 0.40 C ATOM 527 C GLN A 33 9.224 0.406 -13.863 1.00 0.28 C ATOM 528 O GLN A 33 8.323 1.093 -14.294 1.00 0.29 O ATOM 529 CB GLN A 33 9.818 -1.689 -14.927 1.00 0.61 C ATOM 530 CG GLN A 33 10.580 -2.742 -14.170 1.00 2.17 C ATOM 531 CD GLN A 33 9.699 -3.988 -13.875 1.00 3.50 C ATOM 532 OE1 GLN A 33 10.131 -4.986 -13.349 1.00 4.81 O ATOM 533 NE2 GLN A 33 8.434 -4.037 -14.157 1.00 3.49 N ATOM 0 H GLN A 33 12.050 -0.856 -13.751 1.00 0.46 H new ATOM 0 HA GLN A 33 10.427 0.146 -15.821 1.00 0.40 H new ATOM 0 HB2 GLN A 33 8.779 -1.730 -14.602 1.00 0.61 H new ATOM 0 HB3 GLN A 33 9.832 -1.960 -15.983 1.00 0.61 H new ATOM 0 HG2 GLN A 33 11.455 -3.043 -14.746 1.00 2.17 H new ATOM 0 HG3 GLN A 33 10.945 -2.324 -13.232 1.00 2.17 H new ATOM 0 HE21 GLN A 33 7.980 -3.240 -14.603 1.00 3.49 H new ATOM 0 HE22 GLN A 33 7.893 -4.872 -13.933 1.00 3.49 H new ATOM 542 N ALA A 34 9.375 0.137 -12.584 1.00 0.18 N ATOM 543 CA ALA A 34 8.423 0.671 -11.558 1.00 0.14 C ATOM 544 C ALA A 34 8.182 2.171 -11.539 1.00 0.18 C ATOM 545 O ALA A 34 7.078 2.674 -11.586 1.00 0.19 O ATOM 546 CB ALA A 34 8.911 0.236 -10.170 1.00 0.15 C ATOM 0 H ALA A 34 10.128 -0.437 -12.205 1.00 0.18 H new ATOM 0 HA ALA A 34 7.458 0.250 -11.840 1.00 0.14 H new ATOM 0 HB1 ALA A 34 8.229 0.616 -9.409 1.00 0.15 H new ATOM 0 HB2 ALA A 34 8.941 -0.852 -10.119 1.00 0.15 H new ATOM 0 HB3 ALA A 34 9.910 0.635 -9.994 1.00 0.15 H new ATOM 552 N THR A 35 9.266 2.865 -11.466 1.00 0.20 N ATOM 553 CA THR A 35 9.263 4.373 -11.433 1.00 0.23 C ATOM 554 C THR A 35 9.165 4.956 -12.826 1.00 0.27 C ATOM 555 O THR A 35 8.376 5.857 -13.047 1.00 0.28 O ATOM 556 CB THR A 35 10.552 4.890 -10.793 1.00 0.15 C ATOM 557 OG1 THR A 35 11.552 4.225 -11.537 1.00 0.18 O ATOM 558 CG2 THR A 35 10.738 4.351 -9.415 1.00 0.12 C ATOM 0 H THR A 35 10.197 2.451 -11.425 1.00 0.20 H new ATOM 0 HA THR A 35 8.395 4.681 -10.850 1.00 0.23 H new ATOM 0 HB THR A 35 10.562 5.980 -10.773 1.00 0.15 H new ATOM 0 HG1 THR A 35 11.693 3.329 -11.167 1.00 0.18 H new ATOM 0 HG21 THR A 35 11.665 4.741 -8.994 1.00 0.12 H new ATOM 0 HG22 THR A 35 9.899 4.655 -8.789 1.00 0.12 H new ATOM 0 HG23 THR A 35 10.787 3.263 -9.453 1.00 0.12 H new ATOM 566 N VAL A 36 9.934 4.434 -13.734 1.00 0.38 N ATOM 567 CA VAL A 36 9.897 4.958 -15.128 1.00 0.46 C ATOM 568 C VAL A 36 8.897 4.174 -15.982 1.00 0.52 C ATOM 569 O VAL A 36 7.815 4.634 -16.295 1.00 0.69 O ATOM 570 CB VAL A 36 11.346 4.852 -15.754 1.00 0.40 C ATOM 571 CG1 VAL A 36 11.444 5.685 -17.041 1.00 0.40 C ATOM 572 CG2 VAL A 36 12.433 5.237 -14.792 1.00 0.47 C ATOM 0 H VAL A 36 10.587 3.667 -13.574 1.00 0.38 H new ATOM 0 HA VAL A 36 9.575 5.999 -15.108 1.00 0.46 H new ATOM 0 HB VAL A 36 11.502 3.800 -15.995 1.00 0.40 H new ATOM 0 HG11 VAL A 36 12.449 5.598 -17.455 1.00 0.40 H new ATOM 0 HG12 VAL A 36 10.719 5.318 -17.768 1.00 0.40 H new ATOM 0 HG13 VAL A 36 11.234 6.730 -16.815 1.00 0.40 H new ATOM 0 HG21 VAL A 36 13.402 5.143 -15.282 1.00 0.47 H new ATOM 0 HG22 VAL A 36 12.287 6.269 -14.472 1.00 0.47 H new ATOM 0 HG23 VAL A 36 12.400 4.579 -13.923 1.00 0.47 H new ATOM 582 N GLY A 37 9.333 2.988 -16.271 1.00 0.38 N ATOM 583 CA GLY A 37 8.607 1.986 -17.108 1.00 0.41 C ATOM 584 C GLY A 37 9.612 1.680 -18.208 1.00 0.31 C ATOM 585 O GLY A 37 10.383 0.750 -18.090 1.00 0.38 O ATOM 0 H GLY A 37 10.233 2.644 -15.936 1.00 0.38 H new ATOM 0 HA2 GLY A 37 8.347 1.094 -16.538 1.00 0.41 H new ATOM 0 HA3 GLY A 37 7.678 2.390 -17.509 1.00 0.41 H new ATOM 589 N ASP A 38 9.621 2.495 -19.225 1.00 0.25 N ATOM 590 CA ASP A 38 10.562 2.284 -20.363 1.00 0.29 C ATOM 591 C ASP A 38 11.908 3.029 -20.311 1.00 0.30 C ATOM 592 O ASP A 38 12.022 4.171 -19.909 1.00 0.35 O ATOM 593 CB ASP A 38 9.841 2.690 -21.676 1.00 0.24 C ATOM 594 CG ASP A 38 9.282 1.512 -22.437 1.00 0.65 C ATOM 595 OD1 ASP A 38 8.824 0.580 -21.803 1.00 1.10 O ATOM 596 OD2 ASP A 38 9.386 1.650 -23.645 1.00 1.71 O ATOM 0 H ASP A 38 9.011 3.307 -19.318 1.00 0.25 H new ATOM 0 HA ASP A 38 10.825 1.228 -20.304 1.00 0.29 H new ATOM 0 HB2 ASP A 38 9.030 3.379 -21.439 1.00 0.24 H new ATOM 0 HB3 ASP A 38 10.541 3.228 -22.315 1.00 0.24 H new ATOM 601 N ILE A 39 12.906 2.310 -20.752 1.00 0.35 N ATOM 602 CA ILE A 39 14.287 2.873 -20.788 1.00 0.31 C ATOM 603 C ILE A 39 14.458 3.742 -22.042 1.00 0.28 C ATOM 604 O ILE A 39 14.058 3.401 -23.143 1.00 0.43 O ATOM 605 CB ILE A 39 15.225 1.666 -20.734 1.00 0.26 C ATOM 606 CG1 ILE A 39 16.688 2.087 -20.665 1.00 0.19 C ATOM 607 CG2 ILE A 39 15.034 0.789 -21.958 1.00 0.24 C ATOM 608 CD1 ILE A 39 17.448 0.892 -20.065 1.00 0.31 C ATOM 0 H ILE A 39 12.823 1.351 -21.091 1.00 0.35 H new ATOM 0 HA ILE A 39 14.509 3.536 -19.952 1.00 0.31 H new ATOM 0 HB ILE A 39 14.974 1.112 -19.829 1.00 0.26 H new ATOM 0 HG12 ILE A 39 17.070 2.334 -21.656 1.00 0.19 H new ATOM 0 HG13 ILE A 39 16.809 2.976 -20.046 1.00 0.19 H new ATOM 0 HG21 ILE A 39 15.709 -0.065 -21.903 1.00 0.24 H new ATOM 0 HG22 ILE A 39 14.004 0.435 -21.995 1.00 0.24 H new ATOM 0 HG23 ILE A 39 15.252 1.366 -22.857 1.00 0.24 H new ATOM 0 HD11 ILE A 39 18.508 1.135 -19.990 1.00 0.31 H new ATOM 0 HD12 ILE A 39 17.055 0.672 -19.072 1.00 0.31 H new ATOM 0 HD13 ILE A 39 17.320 0.020 -20.707 1.00 0.31 H new ATOM 620 N ASN A 40 15.043 4.872 -21.765 1.00 0.30 N ATOM 621 CA ASN A 40 15.337 5.921 -22.795 1.00 0.25 C ATOM 622 C ASN A 40 16.722 6.586 -22.550 1.00 0.19 C ATOM 623 O ASN A 40 17.039 7.641 -23.066 1.00 0.41 O ATOM 624 CB ASN A 40 14.142 6.883 -22.674 1.00 0.25 C ATOM 625 CG ASN A 40 14.013 7.261 -21.203 1.00 0.39 C ATOM 626 OD1 ASN A 40 14.693 8.123 -20.703 1.00 0.55 O ATOM 627 ND2 ASN A 40 13.176 6.650 -20.431 1.00 0.60 N ATOM 0 H ASN A 40 15.345 5.127 -20.825 1.00 0.30 H new ATOM 0 HA ASN A 40 15.428 5.533 -23.810 1.00 0.25 H new ATOM 0 HB2 ASN A 40 14.299 7.771 -23.287 1.00 0.25 H new ATOM 0 HB3 ASN A 40 13.228 6.408 -23.030 1.00 0.25 H new ATOM 0 HD21 ASN A 40 13.112 6.904 -19.445 1.00 0.60 H new ATOM 0 HD22 ASN A 40 12.579 5.914 -20.807 1.00 0.60 H new ATOM 634 N THR A 41 17.513 5.913 -21.757 1.00 0.44 N ATOM 635 CA THR A 41 18.881 6.405 -21.405 1.00 0.45 C ATOM 636 C THR A 41 19.926 5.602 -22.205 1.00 0.44 C ATOM 637 O THR A 41 19.567 4.769 -23.013 1.00 0.43 O ATOM 638 CB THR A 41 19.069 6.217 -19.882 1.00 0.63 C ATOM 639 OG1 THR A 41 19.277 4.825 -19.761 1.00 0.86 O ATOM 640 CG2 THR A 41 17.735 6.304 -19.096 1.00 0.44 C ATOM 0 H THR A 41 17.264 5.022 -21.328 1.00 0.44 H new ATOM 0 HA THR A 41 19.006 7.458 -21.655 1.00 0.45 H new ATOM 0 HB THR A 41 19.811 6.935 -19.533 1.00 0.63 H new ATOM 0 HG1 THR A 41 20.234 4.629 -19.843 1.00 0.86 H new ATOM 0 HG21 THR A 41 17.930 6.165 -18.033 1.00 0.44 H new ATOM 0 HG22 THR A 41 17.281 7.282 -19.257 1.00 0.44 H new ATOM 0 HG23 THR A 41 17.055 5.527 -19.445 1.00 0.44 H new ATOM 798 N GLY A 51 27.365 0.232 -15.290 1.00 0.66 N ATOM 799 CA GLY A 51 26.742 1.215 -16.146 1.00 0.74 C ATOM 800 C GLY A 51 25.872 0.493 -17.139 1.00 0.65 C ATOM 801 O GLY A 51 24.719 0.838 -17.280 1.00 0.68 O ATOM 0 HA2 GLY A 51 26.147 1.911 -15.555 1.00 0.74 H new ATOM 0 HA3 GLY A 51 27.500 1.804 -16.663 1.00 0.74 H new ATOM 805 N LYS A 52 26.390 -0.489 -17.816 1.00 0.54 N ATOM 806 CA LYS A 52 25.481 -1.176 -18.770 1.00 0.45 C ATOM 807 C LYS A 52 24.473 -1.940 -17.896 1.00 0.46 C ATOM 808 O LYS A 52 23.298 -1.770 -18.101 1.00 0.53 O ATOM 809 CB LYS A 52 26.341 -2.082 -19.613 1.00 0.31 C ATOM 810 CG LYS A 52 27.372 -1.202 -20.370 1.00 0.95 C ATOM 811 CD LYS A 52 28.717 -1.915 -20.271 1.00 0.97 C ATOM 812 CE LYS A 52 28.686 -3.246 -21.070 1.00 1.08 C ATOM 813 NZ LYS A 52 29.611 -4.220 -20.414 1.00 2.44 N ATOM 0 H LYS A 52 27.349 -0.832 -17.759 1.00 0.54 H new ATOM 0 HA LYS A 52 24.935 -0.517 -19.445 1.00 0.45 H new ATOM 0 HB2 LYS A 52 26.852 -2.813 -18.986 1.00 0.31 H new ATOM 0 HB3 LYS A 52 25.727 -2.641 -20.319 1.00 0.31 H new ATOM 0 HG2 LYS A 52 27.079 -1.073 -21.412 1.00 0.95 H new ATOM 0 HG3 LYS A 52 27.429 -0.207 -19.929 1.00 0.95 H new ATOM 0 HD2 LYS A 52 29.506 -1.270 -20.657 1.00 0.97 H new ATOM 0 HD3 LYS A 52 28.953 -2.116 -19.226 1.00 0.97 H new ATOM 0 HE2 LYS A 52 27.673 -3.647 -21.097 1.00 1.08 H new ATOM 0 HE3 LYS A 52 28.989 -3.074 -22.103 1.00 1.08 H new ATOM 0 HZ1 LYS A 52 29.600 -5.117 -20.940 1.00 2.44 H new ATOM 0 HZ2 LYS A 52 30.576 -3.833 -20.410 1.00 2.44 H new ATOM 0 HZ3 LYS A 52 29.301 -4.388 -19.436 1.00 2.44 H new ATOM 827 N ALA A 53 24.954 -2.740 -16.972 1.00 0.46 N ATOM 828 CA ALA A 53 24.093 -3.536 -16.045 1.00 0.56 C ATOM 829 C ALA A 53 22.763 -2.864 -15.760 1.00 0.72 C ATOM 830 O ALA A 53 21.747 -3.423 -16.120 1.00 0.77 O ATOM 831 CB ALA A 53 24.922 -3.774 -14.771 1.00 0.44 C ATOM 0 H ALA A 53 25.953 -2.877 -16.819 1.00 0.46 H new ATOM 0 HA ALA A 53 23.817 -4.486 -16.503 1.00 0.56 H new ATOM 0 HB1 ALA A 53 24.336 -4.354 -14.058 1.00 0.44 H new ATOM 0 HB2 ALA A 53 25.830 -4.322 -15.025 1.00 0.44 H new ATOM 0 HB3 ALA A 53 25.189 -2.815 -14.326 1.00 0.44 H new ATOM 837 N LYS A 54 22.803 -1.712 -15.135 1.00 0.76 N ATOM 838 CA LYS A 54 21.474 -1.055 -14.882 1.00 0.74 C ATOM 839 C LYS A 54 20.716 -0.990 -16.230 1.00 0.61 C ATOM 840 O LYS A 54 19.595 -1.459 -16.331 1.00 0.57 O ATOM 841 CB LYS A 54 21.638 0.415 -14.299 1.00 0.87 C ATOM 842 CG LYS A 54 22.996 1.089 -14.540 1.00 0.99 C ATOM 843 CD LYS A 54 23.689 1.465 -13.254 1.00 1.10 C ATOM 844 CE LYS A 54 24.499 2.780 -13.436 1.00 1.58 C ATOM 845 NZ LYS A 54 23.570 3.945 -13.445 1.00 1.59 N ATOM 0 H LYS A 54 23.635 -1.222 -14.807 1.00 0.76 H new ATOM 0 HA LYS A 54 20.927 -1.638 -14.142 1.00 0.74 H new ATOM 0 HB2 LYS A 54 20.861 1.045 -14.732 1.00 0.87 H new ATOM 0 HB3 LYS A 54 21.458 0.380 -13.225 1.00 0.87 H new ATOM 0 HG2 LYS A 54 23.636 0.416 -15.111 1.00 0.99 H new ATOM 0 HG3 LYS A 54 22.852 1.983 -15.147 1.00 0.99 H new ATOM 0 HD2 LYS A 54 22.952 1.592 -12.461 1.00 1.10 H new ATOM 0 HD3 LYS A 54 24.356 0.660 -12.945 1.00 1.10 H new ATOM 0 HE2 LYS A 54 25.224 2.887 -12.629 1.00 1.58 H new ATOM 0 HE3 LYS A 54 25.063 2.745 -14.368 1.00 1.58 H new ATOM 0 HZ1 LYS A 54 24.112 4.822 -13.311 1.00 1.59 H new ATOM 0 HZ2 LYS A 54 23.070 3.983 -14.356 1.00 1.59 H new ATOM 0 HZ3 LYS A 54 22.879 3.844 -12.674 1.00 1.59 H new ATOM 859 N TRP A 55 21.340 -0.458 -17.247 1.00 0.51 N ATOM 860 CA TRP A 55 20.659 -0.363 -18.558 1.00 0.34 C ATOM 861 C TRP A 55 20.117 -1.739 -19.007 1.00 0.35 C ATOM 862 O TRP A 55 18.931 -2.003 -19.048 1.00 0.37 O ATOM 863 CB TRP A 55 21.706 0.187 -19.500 1.00 0.30 C ATOM 864 CG TRP A 55 20.971 1.082 -20.438 1.00 0.35 C ATOM 865 CD1 TRP A 55 20.644 2.340 -20.098 1.00 0.40 C ATOM 866 CD2 TRP A 55 20.546 0.794 -21.676 1.00 0.37 C ATOM 867 NE1 TRP A 55 20.027 2.758 -21.173 1.00 0.45 N ATOM 868 CE2 TRP A 55 19.921 1.907 -22.180 1.00 0.45 C ATOM 869 CE3 TRP A 55 20.647 -0.363 -22.428 1.00 0.36 C ATOM 870 CZ2 TRP A 55 19.406 1.867 -23.449 1.00 0.50 C ATOM 871 CZ3 TRP A 55 20.128 -0.402 -23.696 1.00 0.42 C ATOM 872 CH2 TRP A 55 19.510 0.720 -24.204 1.00 0.49 C ATOM 0 H TRP A 55 22.290 -0.087 -17.221 1.00 0.51 H new ATOM 0 HA TRP A 55 19.782 0.283 -18.527 1.00 0.34 H new ATOM 0 HB2 TRP A 55 22.474 0.736 -18.955 1.00 0.30 H new ATOM 0 HB3 TRP A 55 22.210 -0.616 -20.038 1.00 0.30 H new ATOM 0 HD1 TRP A 55 20.840 2.869 -19.177 1.00 0.40 H new ATOM 0 HE1 TRP A 55 19.643 3.701 -21.232 1.00 0.45 H new ATOM 0 HE3 TRP A 55 21.134 -1.234 -22.016 1.00 0.36 H new ATOM 0 HZ2 TRP A 55 18.917 2.738 -23.859 1.00 0.50 H new ATOM 0 HZ3 TRP A 55 20.203 -1.301 -24.290 1.00 0.42 H new ATOM 0 HH2 TRP A 55 19.103 0.700 -25.204 1.00 0.49 H new ATOM 883 N ASP A 56 21.056 -2.578 -19.322 1.00 0.36 N ATOM 884 CA ASP A 56 20.832 -3.967 -19.782 1.00 0.39 C ATOM 885 C ASP A 56 19.691 -4.623 -18.974 1.00 0.40 C ATOM 886 O ASP A 56 18.744 -5.135 -19.532 1.00 0.41 O ATOM 887 CB ASP A 56 22.260 -4.556 -19.622 1.00 0.43 C ATOM 888 CG ASP A 56 23.053 -4.412 -20.907 1.00 0.64 C ATOM 889 OD1 ASP A 56 22.487 -4.405 -21.984 1.00 0.79 O ATOM 890 OD2 ASP A 56 24.256 -4.309 -20.765 1.00 1.95 O ATOM 0 H ASP A 56 22.045 -2.332 -19.273 1.00 0.36 H new ATOM 0 HA ASP A 56 20.471 -4.113 -20.800 1.00 0.39 H new ATOM 0 HB2 ASP A 56 22.779 -4.046 -18.811 1.00 0.43 H new ATOM 0 HB3 ASP A 56 22.195 -5.609 -19.346 1.00 0.43 H new ATOM 895 N ALA A 57 19.807 -4.584 -17.677 1.00 0.49 N ATOM 896 CA ALA A 57 18.792 -5.163 -16.770 1.00 0.51 C ATOM 897 C ALA A 57 17.387 -4.563 -16.982 1.00 0.36 C ATOM 898 O ALA A 57 16.394 -5.257 -16.977 1.00 0.36 O ATOM 899 CB ALA A 57 19.311 -4.916 -15.362 1.00 0.62 C ATOM 0 H ALA A 57 20.598 -4.156 -17.195 1.00 0.49 H new ATOM 0 HA ALA A 57 18.661 -6.227 -16.968 1.00 0.51 H new ATOM 0 HB1 ALA A 57 18.605 -5.321 -14.638 1.00 0.62 H new ATOM 0 HB2 ALA A 57 20.277 -5.405 -15.239 1.00 0.62 H new ATOM 0 HB3 ALA A 57 19.423 -3.844 -15.198 1.00 0.62 H new ATOM 905 N TRP A 58 17.306 -3.268 -17.159 1.00 0.28 N ATOM 906 CA TRP A 58 15.943 -2.640 -17.365 1.00 0.16 C ATOM 907 C TRP A 58 15.464 -2.815 -18.844 1.00 0.23 C ATOM 908 O TRP A 58 14.307 -2.997 -19.178 1.00 0.40 O ATOM 909 CB TRP A 58 16.150 -1.200 -16.909 1.00 0.16 C ATOM 910 CG TRP A 58 14.910 -0.346 -17.082 1.00 0.16 C ATOM 911 CD1 TRP A 58 13.634 -0.807 -17.104 1.00 0.13 C ATOM 912 CD2 TRP A 58 14.930 0.990 -17.256 1.00 0.22 C ATOM 913 NE1 TRP A 58 12.965 0.318 -17.303 1.00 0.19 N ATOM 914 CE2 TRP A 58 13.652 1.432 -17.403 1.00 0.24 C ATOM 915 CE3 TRP A 58 15.959 1.905 -17.300 1.00 0.27 C ATOM 916 CZ2 TRP A 58 13.372 2.755 -17.599 1.00 0.31 C ATOM 917 CZ3 TRP A 58 15.687 3.242 -17.495 1.00 0.32 C ATOM 918 CH2 TRP A 58 14.402 3.663 -17.646 1.00 0.34 C ATOM 0 H TRP A 58 18.097 -2.624 -17.172 1.00 0.28 H new ATOM 0 HA TRP A 58 15.135 -3.103 -16.799 1.00 0.16 H new ATOM 0 HB2 TRP A 58 16.446 -1.195 -15.860 1.00 0.16 H new ATOM 0 HB3 TRP A 58 16.971 -0.759 -17.474 1.00 0.16 H new ATOM 0 HD1 TRP A 58 13.265 -1.816 -16.990 1.00 0.13 H new ATOM 0 HE1 TRP A 58 11.948 0.319 -17.376 1.00 0.19 H new ATOM 0 HE3 TRP A 58 16.980 1.574 -17.182 1.00 0.27 H new ATOM 0 HZ2 TRP A 58 12.350 3.084 -17.716 1.00 0.31 H new ATOM 0 HZ3 TRP A 58 16.496 3.957 -17.528 1.00 0.32 H new ATOM 0 HH2 TRP A 58 14.192 4.711 -17.803 1.00 0.34 H new ATOM 929 N ASN A 59 16.422 -2.739 -19.704 1.00 0.30 N ATOM 930 CA ASN A 59 16.351 -2.875 -21.188 1.00 0.60 C ATOM 931 C ASN A 59 15.580 -4.152 -21.612 1.00 0.66 C ATOM 932 O ASN A 59 15.196 -4.289 -22.761 1.00 1.05 O ATOM 933 CB ASN A 59 17.836 -2.853 -21.590 1.00 0.78 C ATOM 934 CG ASN A 59 18.140 -3.317 -22.978 1.00 1.42 C ATOM 935 OD1 ASN A 59 19.132 -3.932 -23.275 1.00 3.31 O ATOM 936 ND2 ASN A 59 17.351 -3.074 -23.941 1.00 0.20 N ATOM 0 H ASN A 59 17.379 -2.565 -19.396 1.00 0.30 H new ATOM 0 HA ASN A 59 15.787 -2.090 -21.691 1.00 0.60 H new ATOM 0 HB2 ASN A 59 18.209 -1.835 -21.478 1.00 0.78 H new ATOM 0 HB3 ASN A 59 18.392 -3.475 -20.889 1.00 0.78 H new ATOM 0 HD21 ASN A 59 17.580 -3.395 -24.882 1.00 0.20 H new ATOM 0 HD22 ASN A 59 16.487 -2.558 -23.775 1.00 0.20 H new ATOM 943 N GLU A 60 15.391 -5.004 -20.643 1.00 0.28 N ATOM 944 CA GLU A 60 14.683 -6.312 -20.799 1.00 0.27 C ATOM 945 C GLU A 60 13.200 -6.215 -20.353 1.00 0.26 C ATOM 946 O GLU A 60 12.304 -6.863 -20.854 1.00 0.26 O ATOM 947 CB GLU A 60 15.587 -7.279 -19.969 1.00 0.34 C ATOM 948 CG GLU A 60 15.027 -8.729 -19.744 1.00 0.34 C ATOM 949 CD GLU A 60 14.619 -9.023 -18.285 1.00 1.71 C ATOM 950 OE1 GLU A 60 15.258 -8.505 -17.379 1.00 2.17 O ATOM 951 OE2 GLU A 60 13.672 -9.785 -18.180 1.00 2.46 O ATOM 0 H GLU A 60 15.719 -4.836 -19.692 1.00 0.28 H new ATOM 0 HA GLU A 60 14.576 -6.666 -21.824 1.00 0.27 H new ATOM 0 HB2 GLU A 60 16.553 -7.358 -20.468 1.00 0.34 H new ATOM 0 HB3 GLU A 60 15.768 -6.827 -18.994 1.00 0.34 H new ATOM 0 HG2 GLU A 60 14.162 -8.878 -20.390 1.00 0.34 H new ATOM 0 HG3 GLU A 60 15.783 -9.452 -20.052 1.00 0.34 H new ATOM 958 N LEU A 61 13.004 -5.355 -19.400 1.00 0.26 N ATOM 959 CA LEU A 61 11.666 -5.075 -18.792 1.00 0.27 C ATOM 960 C LEU A 61 10.808 -4.105 -19.552 1.00 0.27 C ATOM 961 O LEU A 61 9.597 -4.170 -19.424 1.00 0.26 O ATOM 962 CB LEU A 61 11.875 -4.536 -17.423 1.00 0.27 C ATOM 963 CG LEU A 61 12.870 -5.408 -16.660 1.00 0.25 C ATOM 964 CD1 LEU A 61 12.766 -4.932 -15.286 1.00 0.32 C ATOM 965 CD2 LEU A 61 12.523 -6.875 -16.756 1.00 0.41 C ATOM 0 H LEU A 61 13.757 -4.801 -18.992 1.00 0.26 H new ATOM 0 HA LEU A 61 11.130 -6.024 -18.802 1.00 0.27 H new ATOM 0 HB2 LEU A 61 12.246 -3.513 -17.480 1.00 0.27 H new ATOM 0 HB3 LEU A 61 10.926 -4.502 -16.889 1.00 0.27 H new ATOM 0 HG LEU A 61 13.880 -5.330 -17.062 1.00 0.25 H new ATOM 0 HD11 LEU A 61 13.447 -5.499 -14.652 1.00 0.32 H new ATOM 0 HD12 LEU A 61 13.029 -3.875 -15.246 1.00 0.32 H new ATOM 0 HD13 LEU A 61 11.744 -5.065 -14.931 1.00 0.32 H new ATOM 0 HD21 LEU A 61 13.256 -7.459 -16.200 1.00 0.41 H new ATOM 0 HD22 LEU A 61 11.531 -7.042 -16.336 1.00 0.41 H new ATOM 0 HD23 LEU A 61 12.531 -7.183 -17.801 1.00 0.41 H new ATOM 977 N LYS A 62 11.486 -3.243 -20.269 1.00 0.32 N ATOM 978 CA LYS A 62 10.819 -2.211 -21.108 1.00 0.40 C ATOM 979 C LYS A 62 9.550 -2.944 -21.662 1.00 0.88 C ATOM 980 O LYS A 62 9.588 -4.104 -22.030 1.00 2.25 O ATOM 981 CB LYS A 62 11.826 -1.853 -22.161 1.00 0.23 C ATOM 982 CG LYS A 62 11.407 -0.571 -22.879 1.00 0.34 C ATOM 983 CD LYS A 62 12.379 -0.311 -24.075 1.00 0.73 C ATOM 984 CE LYS A 62 11.997 0.938 -24.908 1.00 1.25 C ATOM 985 NZ LYS A 62 12.003 2.171 -24.058 1.00 2.27 N ATOM 0 H LYS A 62 12.505 -3.215 -20.305 1.00 0.32 H new ATOM 0 HA LYS A 62 10.510 -1.289 -20.617 1.00 0.40 H new ATOM 0 HB2 LYS A 62 12.807 -1.719 -21.705 1.00 0.23 H new ATOM 0 HB3 LYS A 62 11.917 -2.668 -22.879 1.00 0.23 H new ATOM 0 HG2 LYS A 62 10.382 -0.660 -23.240 1.00 0.34 H new ATOM 0 HG3 LYS A 62 11.429 0.271 -22.187 1.00 0.34 H new ATOM 0 HD2 LYS A 62 13.392 -0.189 -23.692 1.00 0.73 H new ATOM 0 HD3 LYS A 62 12.387 -1.186 -24.725 1.00 0.73 H new ATOM 0 HE2 LYS A 62 12.698 1.058 -25.734 1.00 1.25 H new ATOM 0 HE3 LYS A 62 11.009 0.799 -25.347 1.00 1.25 H new ATOM 0 HZ1 LYS A 62 11.152 2.734 -24.258 1.00 2.27 H new ATOM 0 HZ2 LYS A 62 12.011 1.900 -23.054 1.00 2.27 H new ATOM 0 HZ3 LYS A 62 12.850 2.736 -24.271 1.00 2.27 H new ATOM 999 N GLY A 63 8.485 -2.225 -21.716 1.00 0.51 N ATOM 1000 CA GLY A 63 7.186 -2.821 -22.194 1.00 0.45 C ATOM 1001 C GLY A 63 6.360 -3.328 -20.973 1.00 0.37 C ATOM 1002 O GLY A 63 5.165 -3.514 -21.070 1.00 0.58 O ATOM 0 H GLY A 63 8.437 -1.241 -21.452 1.00 0.51 H new ATOM 0 HA2 GLY A 63 6.615 -2.076 -22.748 1.00 0.45 H new ATOM 0 HA3 GLY A 63 7.383 -3.645 -22.879 1.00 0.45 H new ATOM 1006 N THR A 64 7.007 -3.546 -19.857 1.00 0.43 N ATOM 1007 CA THR A 64 6.292 -4.045 -18.599 1.00 0.35 C ATOM 1008 C THR A 64 5.602 -2.896 -17.863 1.00 0.35 C ATOM 1009 O THR A 64 5.739 -1.760 -18.285 1.00 0.52 O ATOM 1010 CB THR A 64 7.326 -4.687 -17.653 1.00 0.47 C ATOM 1011 OG1 THR A 64 7.713 -5.855 -18.362 1.00 0.75 O ATOM 1012 CG2 THR A 64 6.798 -5.187 -16.260 1.00 0.66 C ATOM 0 H THR A 64 8.011 -3.404 -19.743 1.00 0.43 H new ATOM 0 HA THR A 64 5.537 -4.772 -18.899 1.00 0.35 H new ATOM 0 HB THR A 64 8.084 -3.939 -17.419 1.00 0.47 H new ATOM 0 HG1 THR A 64 8.473 -5.647 -18.945 1.00 0.75 H new ATOM 0 HG21 THR A 64 7.623 -5.617 -15.691 1.00 0.66 H new ATOM 0 HG22 THR A 64 6.376 -4.347 -15.708 1.00 0.66 H new ATOM 0 HG23 THR A 64 6.029 -5.944 -16.413 1.00 0.66 H new ATOM 1020 N SER A 65 4.880 -3.169 -16.795 1.00 0.38 N ATOM 1021 CA SER A 65 4.236 -2.017 -16.106 1.00 0.72 C ATOM 1022 C SER A 65 5.206 -1.480 -15.046 1.00 1.08 C ATOM 1023 O SER A 65 6.333 -1.915 -14.863 1.00 1.99 O ATOM 1024 CB SER A 65 2.868 -2.460 -15.435 1.00 0.84 C ATOM 1025 OG SER A 65 3.120 -2.836 -14.082 1.00 2.07 O ATOM 0 H SER A 65 4.718 -4.092 -16.393 1.00 0.38 H new ATOM 0 HA SER A 65 4.010 -1.235 -16.831 1.00 0.72 H new ATOM 0 HB2 SER A 65 2.148 -1.643 -15.472 1.00 0.84 H new ATOM 0 HB3 SER A 65 2.431 -3.295 -15.984 1.00 0.84 H new ATOM 0 HG SER A 65 2.320 -3.259 -13.706 1.00 2.07 H new ATOM 1031 N LYS A 66 4.633 -0.516 -14.399 1.00 0.43 N ATOM 1032 CA LYS A 66 5.238 0.277 -13.297 1.00 0.59 C ATOM 1033 C LYS A 66 5.004 -0.298 -11.893 1.00 0.75 C ATOM 1034 O LYS A 66 5.613 0.058 -10.899 1.00 1.32 O ATOM 1035 CB LYS A 66 4.620 1.610 -13.402 1.00 0.56 C ATOM 1036 CG LYS A 66 5.249 2.412 -14.558 1.00 0.54 C ATOM 1037 CD LYS A 66 4.558 3.812 -14.666 1.00 0.80 C ATOM 1038 CE LYS A 66 4.730 4.584 -13.360 1.00 1.37 C ATOM 1039 NZ LYS A 66 6.189 4.691 -13.127 1.00 1.12 N ATOM 0 H LYS A 66 3.680 -0.220 -14.612 1.00 0.43 H new ATOM 0 HA LYS A 66 6.322 0.280 -13.410 1.00 0.59 H new ATOM 0 HB2 LYS A 66 3.547 1.507 -13.565 1.00 0.56 H new ATOM 0 HB3 LYS A 66 4.749 2.151 -12.465 1.00 0.56 H new ATOM 0 HG2 LYS A 66 6.318 2.536 -14.388 1.00 0.54 H new ATOM 0 HG3 LYS A 66 5.136 1.867 -15.495 1.00 0.54 H new ATOM 0 HD2 LYS A 66 4.991 4.377 -15.491 1.00 0.80 H new ATOM 0 HD3 LYS A 66 3.498 3.687 -14.887 1.00 0.80 H new ATOM 0 HE2 LYS A 66 4.274 5.572 -13.430 1.00 1.37 H new ATOM 0 HE3 LYS A 66 4.242 4.065 -12.535 1.00 1.37 H new ATOM 0 HZ1 LYS A 66 6.434 5.677 -12.906 1.00 1.12 H new ATOM 0 HZ2 LYS A 66 6.459 4.081 -12.329 1.00 1.12 H new ATOM 0 HZ3 LYS A 66 6.700 4.390 -13.981 1.00 1.12 H new ATOM 1053 N GLU A 67 4.072 -1.186 -11.893 1.00 0.38 N ATOM 1054 CA GLU A 67 3.624 -1.905 -10.680 1.00 0.37 C ATOM 1055 C GLU A 67 4.207 -3.316 -10.528 1.00 0.33 C ATOM 1056 O GLU A 67 4.633 -3.668 -9.442 1.00 0.30 O ATOM 1057 CB GLU A 67 2.123 -1.888 -10.767 1.00 0.37 C ATOM 1058 CG GLU A 67 1.616 -0.434 -10.368 1.00 0.41 C ATOM 1059 CD GLU A 67 0.130 -0.363 -9.996 1.00 1.07 C ATOM 1060 OE1 GLU A 67 -0.574 -1.341 -10.198 1.00 2.13 O ATOM 1061 OE2 GLU A 67 -0.143 0.729 -9.517 1.00 1.58 O ATOM 0 H GLU A 67 3.569 -1.462 -12.737 1.00 0.38 H new ATOM 0 HA GLU A 67 3.990 -1.415 -9.777 1.00 0.37 H new ATOM 0 HB2 GLU A 67 1.798 -2.140 -11.777 1.00 0.37 H new ATOM 0 HB3 GLU A 67 1.695 -2.636 -10.099 1.00 0.37 H new ATOM 0 HG2 GLU A 67 2.207 -0.075 -9.525 1.00 0.41 H new ATOM 0 HG3 GLU A 67 1.803 0.244 -11.201 1.00 0.41 H new ATOM 1068 N ASP A 68 4.219 -4.104 -11.575 1.00 0.33 N ATOM 1069 CA ASP A 68 4.785 -5.502 -11.517 1.00 0.28 C ATOM 1070 C ASP A 68 6.152 -5.300 -10.870 1.00 0.26 C ATOM 1071 O ASP A 68 6.609 -5.929 -9.934 1.00 0.42 O ATOM 1072 CB ASP A 68 4.875 -5.962 -12.969 1.00 0.57 C ATOM 1073 CG ASP A 68 3.664 -5.586 -13.805 1.00 1.68 C ATOM 1074 OD1 ASP A 68 2.577 -5.562 -13.257 1.00 1.85 O ATOM 1075 OD2 ASP A 68 3.895 -5.320 -14.969 1.00 2.65 O ATOM 0 H ASP A 68 3.854 -3.837 -12.489 1.00 0.33 H new ATOM 0 HA ASP A 68 4.215 -6.246 -10.961 1.00 0.28 H new ATOM 0 HB2 ASP A 68 5.767 -5.530 -13.423 1.00 0.57 H new ATOM 0 HB3 ASP A 68 4.998 -7.045 -12.991 1.00 0.57 H new ATOM 1080 N ALA A 69 6.737 -4.334 -11.512 1.00 0.23 N ATOM 1081 CA ALA A 69 8.079 -3.801 -11.193 1.00 0.41 C ATOM 1082 C ALA A 69 8.204 -3.791 -9.676 1.00 0.25 C ATOM 1083 O ALA A 69 9.142 -4.298 -9.108 1.00 0.28 O ATOM 1084 CB ALA A 69 8.140 -2.405 -11.765 1.00 0.67 C ATOM 0 H ALA A 69 6.300 -3.862 -12.303 1.00 0.23 H new ATOM 0 HA ALA A 69 8.893 -4.393 -11.610 1.00 0.41 H new ATOM 0 HB1 ALA A 69 9.116 -1.968 -11.554 1.00 0.67 H new ATOM 0 HB2 ALA A 69 7.986 -2.447 -12.843 1.00 0.67 H new ATOM 0 HB3 ALA A 69 7.362 -1.791 -11.311 1.00 0.67 H new ATOM 1090 N MET A 70 7.206 -3.217 -9.060 1.00 0.25 N ATOM 1091 CA MET A 70 7.142 -3.103 -7.576 1.00 0.33 C ATOM 1092 C MET A 70 7.026 -4.443 -6.865 1.00 0.37 C ATOM 1093 O MET A 70 7.858 -4.709 -6.020 1.00 0.46 O ATOM 1094 CB MET A 70 5.917 -2.245 -7.139 1.00 0.26 C ATOM 1095 CG MET A 70 5.867 -0.900 -7.856 1.00 0.15 C ATOM 1096 SD MET A 70 4.487 0.182 -7.411 1.00 0.23 S ATOM 1097 CE MET A 70 5.094 1.669 -8.247 1.00 0.33 C ATOM 0 H MET A 70 6.406 -2.809 -9.543 1.00 0.25 H new ATOM 0 HA MET A 70 8.084 -2.635 -7.290 1.00 0.33 H new ATOM 0 HB2 MET A 70 4.999 -2.797 -7.342 1.00 0.26 H new ATOM 0 HB3 MET A 70 5.958 -2.079 -6.062 1.00 0.26 H new ATOM 0 HG2 MET A 70 6.798 -0.369 -7.657 1.00 0.15 H new ATOM 0 HG3 MET A 70 5.828 -1.084 -8.930 1.00 0.15 H new ATOM 0 HE1 MET A 70 5.263 2.456 -7.512 1.00 0.33 H new ATOM 0 HE2 MET A 70 6.030 1.443 -8.758 1.00 0.33 H new ATOM 0 HE3 MET A 70 4.355 2.004 -8.975 1.00 0.33 H new ATOM 1107 N LYS A 71 6.009 -5.199 -7.235 1.00 0.34 N ATOM 1108 CA LYS A 71 5.744 -6.543 -6.634 1.00 0.44 C ATOM 1109 C LYS A 71 7.028 -7.248 -6.191 1.00 0.51 C ATOM 1110 O LYS A 71 7.132 -7.732 -5.090 1.00 0.74 O ATOM 1111 CB LYS A 71 4.946 -7.283 -7.720 1.00 0.39 C ATOM 1112 CG LYS A 71 3.439 -6.926 -7.621 1.00 0.95 C ATOM 1113 CD LYS A 71 3.099 -5.416 -7.375 1.00 2.73 C ATOM 1114 CE LYS A 71 1.615 -5.206 -7.000 1.00 3.75 C ATOM 1115 NZ LYS A 71 0.770 -5.818 -8.075 1.00 3.94 N ATOM 0 H LYS A 71 5.336 -4.925 -7.951 1.00 0.34 H new ATOM 0 HA LYS A 71 5.179 -6.493 -5.703 1.00 0.44 H new ATOM 0 HB2 LYS A 71 5.326 -7.015 -8.706 1.00 0.39 H new ATOM 0 HB3 LYS A 71 5.080 -8.359 -7.609 1.00 0.39 H new ATOM 0 HG2 LYS A 71 2.951 -7.241 -8.544 1.00 0.95 H new ATOM 0 HG3 LYS A 71 3.001 -7.512 -6.813 1.00 0.95 H new ATOM 0 HD2 LYS A 71 3.732 -5.028 -6.577 1.00 2.73 H new ATOM 0 HD3 LYS A 71 3.330 -4.842 -8.273 1.00 2.73 H new ATOM 0 HE2 LYS A 71 1.397 -5.667 -6.037 1.00 3.75 H new ATOM 0 HE3 LYS A 71 1.394 -4.143 -6.902 1.00 3.75 H new ATOM 0 HZ1 LYS A 71 -0.215 -5.503 -7.964 1.00 3.94 H new ATOM 0 HZ2 LYS A 71 1.125 -5.522 -9.007 1.00 3.94 H new ATOM 0 HZ3 LYS A 71 0.812 -6.855 -8.002 1.00 3.94 H new ATOM 1129 N ALA A 72 7.962 -7.279 -7.087 1.00 0.37 N ATOM 1130 CA ALA A 72 9.283 -7.913 -6.824 1.00 0.44 C ATOM 1131 C ALA A 72 10.288 -6.802 -6.463 1.00 0.39 C ATOM 1132 O ALA A 72 10.987 -6.992 -5.490 1.00 0.52 O ATOM 1133 CB ALA A 72 9.673 -8.671 -8.093 1.00 0.50 C ATOM 0 H ALA A 72 7.866 -6.880 -8.021 1.00 0.37 H new ATOM 0 HA ALA A 72 9.262 -8.615 -5.991 1.00 0.44 H new ATOM 0 HB1 ALA A 72 10.639 -9.154 -7.946 1.00 0.50 H new ATOM 0 HB2 ALA A 72 8.919 -9.427 -8.311 1.00 0.50 H new ATOM 0 HB3 ALA A 72 9.739 -7.973 -8.928 1.00 0.50 H new ATOM 1139 N TYR A 73 10.375 -5.697 -7.181 1.00 0.27 N ATOM 1140 CA TYR A 73 11.370 -4.648 -6.785 1.00 0.24 C ATOM 1141 C TYR A 73 11.551 -4.535 -5.275 1.00 0.15 C ATOM 1142 O TYR A 73 12.628 -4.687 -4.734 1.00 0.10 O ATOM 1143 CB TYR A 73 10.942 -3.296 -7.279 1.00 0.22 C ATOM 1144 CG TYR A 73 11.914 -2.298 -6.677 1.00 0.23 C ATOM 1145 CD1 TYR A 73 13.208 -2.269 -7.136 1.00 0.82 C ATOM 1146 CD2 TYR A 73 11.508 -1.432 -5.681 1.00 0.69 C ATOM 1147 CE1 TYR A 73 14.089 -1.379 -6.605 1.00 0.85 C ATOM 1148 CE2 TYR A 73 12.403 -0.542 -5.167 1.00 0.64 C ATOM 1149 CZ TYR A 73 13.687 -0.523 -5.633 1.00 0.25 C ATOM 1150 OH TYR A 73 14.587 0.356 -5.105 1.00 0.25 O ATOM 0 H TYR A 73 9.812 -5.483 -8.004 1.00 0.27 H new ATOM 0 HA TYR A 73 12.312 -4.960 -7.236 1.00 0.24 H new ATOM 0 HB2 TYR A 73 10.966 -3.254 -8.368 1.00 0.22 H new ATOM 0 HB3 TYR A 73 9.919 -3.076 -6.974 1.00 0.22 H new ATOM 0 HD1 TYR A 73 13.524 -2.949 -7.914 1.00 0.82 H new ATOM 0 HD2 TYR A 73 10.493 -1.460 -5.314 1.00 0.69 H new ATOM 0 HE1 TYR A 73 15.109 -1.354 -6.958 1.00 0.85 H new ATOM 0 HE2 TYR A 73 12.098 0.147 -4.393 1.00 0.64 H new ATOM 0 HH TYR A 73 14.811 1.036 -5.774 1.00 0.25 H new ATOM 1160 N ILE A 74 10.420 -4.275 -4.677 1.00 0.15 N ATOM 1161 CA ILE A 74 10.353 -4.104 -3.208 1.00 0.08 C ATOM 1162 C ILE A 74 10.962 -5.322 -2.534 1.00 0.14 C ATOM 1163 O ILE A 74 11.977 -5.233 -1.898 1.00 0.08 O ATOM 1164 CB ILE A 74 8.902 -3.942 -2.815 1.00 0.20 C ATOM 1165 CG1 ILE A 74 8.294 -2.713 -3.464 1.00 0.18 C ATOM 1166 CG2 ILE A 74 8.916 -3.654 -1.312 1.00 0.28 C ATOM 1167 CD1 ILE A 74 6.760 -2.859 -3.400 1.00 0.21 C ATOM 0 H ILE A 74 9.527 -4.173 -5.159 1.00 0.15 H new ATOM 0 HA ILE A 74 10.912 -3.223 -2.894 1.00 0.08 H new ATOM 0 HB ILE A 74 8.338 -4.827 -3.107 1.00 0.20 H new ATOM 0 HG12 ILE A 74 8.614 -1.809 -2.946 1.00 0.18 H new ATOM 0 HG13 ILE A 74 8.627 -2.622 -4.498 1.00 0.18 H new ATOM 0 HG21 ILE A 74 7.894 -3.525 -0.957 1.00 0.28 H new ATOM 0 HG22 ILE A 74 9.380 -4.488 -0.786 1.00 0.28 H new ATOM 0 HG23 ILE A 74 9.484 -2.744 -1.121 1.00 0.28 H new ATOM 0 HD11 ILE A 74 6.292 -1.989 -3.860 1.00 0.21 H new ATOM 0 HD12 ILE A 74 6.458 -3.759 -3.935 1.00 0.21 H new ATOM 0 HD13 ILE A 74 6.445 -2.933 -2.359 1.00 0.21 H new ATOM 1179 N ASP A 75 10.336 -6.441 -2.682 1.00 0.28 N ATOM 1180 CA ASP A 75 10.842 -7.693 -2.076 1.00 0.35 C ATOM 1181 C ASP A 75 12.363 -7.804 -2.230 1.00 0.28 C ATOM 1182 O ASP A 75 13.117 -8.097 -1.322 1.00 0.33 O ATOM 1183 CB ASP A 75 9.975 -8.704 -2.808 1.00 0.49 C ATOM 1184 CG ASP A 75 8.587 -8.640 -2.177 1.00 0.84 C ATOM 1185 OD1 ASP A 75 7.995 -7.582 -2.337 1.00 1.63 O ATOM 1186 OD2 ASP A 75 8.210 -9.631 -1.578 1.00 0.86 O ATOM 0 H ASP A 75 9.471 -6.546 -3.212 1.00 0.28 H new ATOM 0 HA ASP A 75 10.755 -7.811 -0.996 1.00 0.35 H new ATOM 0 HB2 ASP A 75 9.926 -8.472 -3.872 1.00 0.49 H new ATOM 0 HB3 ASP A 75 10.393 -9.707 -2.719 1.00 0.49 H new ATOM 1191 N LYS A 76 12.773 -7.516 -3.429 1.00 0.28 N ATOM 1192 CA LYS A 76 14.231 -7.573 -3.767 1.00 0.28 C ATOM 1193 C LYS A 76 14.972 -6.516 -2.937 1.00 0.20 C ATOM 1194 O LYS A 76 16.070 -6.727 -2.457 1.00 0.23 O ATOM 1195 CB LYS A 76 14.376 -7.341 -5.283 1.00 0.40 C ATOM 1196 CG LYS A 76 15.648 -8.105 -5.713 1.00 0.52 C ATOM 1197 CD LYS A 76 15.221 -9.574 -6.009 1.00 1.03 C ATOM 1198 CE LYS A 76 16.418 -10.533 -6.124 1.00 0.95 C ATOM 1199 NZ LYS A 76 17.118 -10.575 -4.801 1.00 0.43 N ATOM 0 H LYS A 76 12.163 -7.241 -4.199 1.00 0.28 H new ATOM 0 HA LYS A 76 14.669 -8.542 -3.527 1.00 0.28 H new ATOM 0 HB2 LYS A 76 13.501 -7.708 -5.819 1.00 0.40 H new ATOM 0 HB3 LYS A 76 14.465 -6.278 -5.508 1.00 0.40 H new ATOM 0 HG2 LYS A 76 16.092 -7.647 -6.597 1.00 0.52 H new ATOM 0 HG3 LYS A 76 16.401 -8.074 -4.925 1.00 0.52 H new ATOM 0 HD2 LYS A 76 14.558 -9.921 -5.216 1.00 1.03 H new ATOM 0 HD3 LYS A 76 14.650 -9.601 -6.937 1.00 1.03 H new ATOM 0 HE2 LYS A 76 16.080 -11.530 -6.406 1.00 0.95 H new ATOM 0 HE3 LYS A 76 17.101 -10.196 -6.904 1.00 0.95 H new ATOM 0 HZ1 LYS A 76 18.137 -10.421 -4.942 1.00 0.43 H new ATOM 0 HZ2 LYS A 76 16.738 -9.830 -4.183 1.00 0.43 H new ATOM 0 HZ3 LYS A 76 16.966 -11.503 -4.357 1.00 0.43 H new ATOM 1213 N VAL A 77 14.375 -5.380 -2.778 1.00 0.19 N ATOM 1214 CA VAL A 77 15.029 -4.296 -1.965 1.00 0.15 C ATOM 1215 C VAL A 77 15.033 -4.771 -0.518 1.00 0.10 C ATOM 1216 O VAL A 77 16.034 -4.656 0.169 1.00 0.19 O ATOM 1217 CB VAL A 77 14.227 -3.000 -2.046 1.00 0.19 C ATOM 1218 CG1 VAL A 77 14.709 -2.012 -0.955 1.00 0.23 C ATOM 1219 CG2 VAL A 77 14.396 -2.354 -3.417 1.00 0.23 C ATOM 0 H VAL A 77 13.464 -5.141 -3.169 1.00 0.19 H new ATOM 0 HA VAL A 77 16.034 -4.104 -2.340 1.00 0.15 H new ATOM 0 HB VAL A 77 13.175 -3.236 -1.889 1.00 0.19 H new ATOM 0 HG11 VAL A 77 14.132 -1.089 -1.019 1.00 0.23 H new ATOM 0 HG12 VAL A 77 14.569 -2.460 0.029 1.00 0.23 H new ATOM 0 HG13 VAL A 77 15.766 -1.790 -1.106 1.00 0.23 H new ATOM 0 HG21 VAL A 77 13.818 -1.431 -3.458 1.00 0.23 H new ATOM 0 HG22 VAL A 77 15.449 -2.130 -3.586 1.00 0.23 H new ATOM 0 HG23 VAL A 77 14.042 -3.039 -4.188 1.00 0.23 H new ATOM 1229 N GLU A 78 13.909 -5.291 -0.073 1.00 0.15 N ATOM 1230 CA GLU A 78 13.748 -5.804 1.315 1.00 0.32 C ATOM 1231 C GLU A 78 14.977 -6.657 1.563 1.00 0.36 C ATOM 1232 O GLU A 78 15.674 -6.460 2.542 1.00 0.45 O ATOM 1233 CB GLU A 78 12.427 -6.630 1.409 1.00 0.37 C ATOM 1234 CG GLU A 78 11.471 -5.971 2.476 1.00 0.45 C ATOM 1235 CD GLU A 78 12.192 -5.668 3.796 1.00 0.96 C ATOM 1236 OE1 GLU A 78 13.014 -6.465 4.219 1.00 1.80 O ATOM 1237 OE2 GLU A 78 11.882 -4.621 4.338 1.00 1.48 O ATOM 0 H GLU A 78 13.069 -5.380 -0.645 1.00 0.15 H new ATOM 0 HA GLU A 78 13.672 -5.015 2.063 1.00 0.32 H new ATOM 0 HB2 GLU A 78 11.936 -6.663 0.436 1.00 0.37 H new ATOM 0 HB3 GLU A 78 12.648 -7.660 1.690 1.00 0.37 H new ATOM 0 HG2 GLU A 78 11.059 -5.047 2.070 1.00 0.45 H new ATOM 0 HG3 GLU A 78 10.631 -6.638 2.668 1.00 0.45 H new ATOM 1244 N GLU A 79 15.184 -7.593 0.669 1.00 0.32 N ATOM 1245 CA GLU A 79 16.375 -8.485 0.784 1.00 0.30 C ATOM 1246 C GLU A 79 17.646 -7.645 1.133 1.00 0.26 C ATOM 1247 O GLU A 79 18.189 -7.739 2.227 1.00 0.42 O ATOM 1248 CB GLU A 79 16.593 -9.184 -0.543 1.00 0.30 C ATOM 1249 CG GLU A 79 15.535 -10.266 -0.863 1.00 0.36 C ATOM 1250 CD GLU A 79 15.824 -10.832 -2.259 1.00 1.07 C ATOM 1251 OE1 GLU A 79 16.948 -11.289 -2.408 1.00 1.09 O ATOM 1252 OE2 GLU A 79 14.981 -10.800 -3.139 1.00 2.13 O ATOM 0 H GLU A 79 14.580 -7.776 -0.133 1.00 0.32 H new ATOM 0 HA GLU A 79 16.203 -9.215 1.574 1.00 0.30 H new ATOM 0 HB2 GLU A 79 16.590 -8.440 -1.339 1.00 0.30 H new ATOM 0 HB3 GLU A 79 17.581 -9.645 -0.542 1.00 0.30 H new ATOM 0 HG2 GLU A 79 15.569 -11.061 -0.118 1.00 0.36 H new ATOM 0 HG3 GLU A 79 14.533 -9.838 -0.828 1.00 0.36 H new ATOM 1259 N LEU A 80 18.086 -6.827 0.192 1.00 0.11 N ATOM 1260 CA LEU A 80 19.317 -5.967 0.409 1.00 0.14 C ATOM 1261 C LEU A 80 19.505 -5.470 1.833 1.00 0.26 C ATOM 1262 O LEU A 80 20.534 -5.654 2.444 1.00 0.30 O ATOM 1263 CB LEU A 80 19.219 -4.794 -0.554 1.00 0.13 C ATOM 1264 CG LEU A 80 19.668 -5.333 -1.883 1.00 0.19 C ATOM 1265 CD1 LEU A 80 19.344 -4.273 -2.917 1.00 0.29 C ATOM 1266 CD2 LEU A 80 21.190 -5.420 -1.774 1.00 0.67 C ATOM 0 H LEU A 80 17.646 -6.715 -0.721 1.00 0.11 H new ATOM 0 HA LEU A 80 20.194 -6.587 0.222 1.00 0.14 H new ATOM 0 HB2 LEU A 80 18.199 -4.414 -0.608 1.00 0.13 H new ATOM 0 HB3 LEU A 80 19.851 -3.966 -0.231 1.00 0.13 H new ATOM 0 HG LEU A 80 19.208 -6.286 -2.143 1.00 0.19 H new ATOM 0 HD11 LEU A 80 19.653 -4.620 -3.903 1.00 0.29 H new ATOM 0 HD12 LEU A 80 18.271 -4.083 -2.919 1.00 0.29 H new ATOM 0 HD13 LEU A 80 19.875 -3.353 -2.673 1.00 0.29 H new ATOM 0 HD21 LEU A 80 21.600 -5.806 -2.707 1.00 0.67 H new ATOM 0 HD22 LEU A 80 21.598 -4.428 -1.582 1.00 0.67 H new ATOM 0 HD23 LEU A 80 21.459 -6.088 -0.956 1.00 0.67 H new ATOM 1278 N LYS A 81 18.476 -4.836 2.280 1.00 0.34 N ATOM 1279 CA LYS A 81 18.410 -4.260 3.669 1.00 0.46 C ATOM 1280 C LYS A 81 19.312 -5.000 4.711 1.00 0.67 C ATOM 1281 O LYS A 81 20.014 -4.394 5.489 1.00 0.78 O ATOM 1282 CB LYS A 81 16.963 -4.336 4.037 1.00 0.53 C ATOM 1283 CG LYS A 81 16.618 -3.922 5.475 1.00 0.67 C ATOM 1284 CD LYS A 81 15.072 -3.778 5.615 1.00 0.40 C ATOM 1285 CE LYS A 81 14.595 -2.474 4.967 1.00 1.16 C ATOM 1286 NZ LYS A 81 13.110 -2.442 5.020 1.00 1.47 N ATOM 0 H LYS A 81 17.633 -4.678 1.728 1.00 0.34 H new ATOM 0 HA LYS A 81 18.800 -3.242 3.681 1.00 0.46 H new ATOM 0 HB2 LYS A 81 16.399 -3.703 3.351 1.00 0.53 H new ATOM 0 HB3 LYS A 81 16.621 -5.359 3.881 1.00 0.53 H new ATOM 0 HG2 LYS A 81 16.990 -4.666 6.179 1.00 0.67 H new ATOM 0 HG3 LYS A 81 17.106 -2.979 5.721 1.00 0.67 H new ATOM 0 HD2 LYS A 81 14.577 -4.627 5.144 1.00 0.40 H new ATOM 0 HD3 LYS A 81 14.793 -3.791 6.669 1.00 0.40 H new ATOM 0 HE2 LYS A 81 15.012 -1.615 5.492 1.00 1.16 H new ATOM 0 HE3 LYS A 81 14.939 -2.415 3.935 1.00 1.16 H new ATOM 0 HZ1 LYS A 81 12.737 -2.119 4.105 1.00 1.47 H new ATOM 0 HZ2 LYS A 81 12.749 -3.396 5.223 1.00 1.47 H new ATOM 0 HZ3 LYS A 81 12.803 -1.789 5.769 1.00 1.47 H new ATOM 1300 N LYS A 82 19.250 -6.309 4.670 1.00 0.75 N ATOM 1301 CA LYS A 82 20.035 -7.173 5.597 1.00 1.00 C ATOM 1302 C LYS A 82 21.391 -7.564 5.030 1.00 0.85 C ATOM 1303 O LYS A 82 22.404 -7.626 5.694 1.00 0.99 O ATOM 1304 CB LYS A 82 19.149 -8.375 5.871 1.00 1.20 C ATOM 1305 CG LYS A 82 17.928 -7.840 6.662 1.00 1.62 C ATOM 1306 CD LYS A 82 16.699 -8.770 6.524 1.00 1.50 C ATOM 1307 CE LYS A 82 15.997 -8.566 5.178 1.00 1.25 C ATOM 1308 NZ LYS A 82 15.546 -7.145 5.110 1.00 2.32 N ATOM 0 H LYS A 82 18.669 -6.826 4.011 1.00 0.75 H new ATOM 0 HA LYS A 82 20.282 -6.643 6.517 1.00 1.00 H new ATOM 0 HB2 LYS A 82 18.834 -8.847 4.940 1.00 1.20 H new ATOM 0 HB3 LYS A 82 19.685 -9.131 6.446 1.00 1.20 H new ATOM 0 HG2 LYS A 82 18.192 -7.741 7.715 1.00 1.62 H new ATOM 0 HG3 LYS A 82 17.671 -6.843 6.303 1.00 1.62 H new ATOM 0 HD2 LYS A 82 17.014 -9.809 6.619 1.00 1.50 H new ATOM 0 HD3 LYS A 82 15.998 -8.574 7.336 1.00 1.50 H new ATOM 0 HE2 LYS A 82 16.675 -8.791 4.355 1.00 1.25 H new ATOM 0 HE3 LYS A 82 15.147 -9.242 5.084 1.00 1.25 H new ATOM 0 HZ1 LYS A 82 14.518 -7.100 5.258 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 16.027 -6.593 5.849 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 15.779 -6.751 4.176 1.00 2.32 H new ATOM 1322 N LYS A 83 21.334 -7.842 3.768 1.00 0.61 N ATOM 1323 CA LYS A 83 22.545 -8.232 3.001 1.00 0.51 C ATOM 1324 C LYS A 83 23.638 -7.205 3.312 1.00 0.61 C ATOM 1325 O LYS A 83 24.789 -7.530 3.532 1.00 0.85 O ATOM 1326 CB LYS A 83 22.156 -8.215 1.567 1.00 0.29 C ATOM 1327 CG LYS A 83 21.159 -9.351 1.363 1.00 0.25 C ATOM 1328 CD LYS A 83 20.584 -9.299 -0.048 1.00 0.13 C ATOM 1329 CE LYS A 83 19.990 -10.667 -0.293 1.00 0.48 C ATOM 1330 NZ LYS A 83 19.681 -10.784 -1.742 1.00 0.94 N ATOM 0 H LYS A 83 20.476 -7.816 3.217 1.00 0.61 H new ATOM 0 HA LYS A 83 22.925 -9.221 3.258 1.00 0.51 H new ATOM 0 HB2 LYS A 83 21.710 -7.257 1.300 1.00 0.29 H new ATOM 0 HB3 LYS A 83 23.029 -8.349 0.929 1.00 0.29 H new ATOM 0 HG2 LYS A 83 21.650 -10.310 1.528 1.00 0.25 H new ATOM 0 HG3 LYS A 83 20.355 -9.275 2.095 1.00 0.25 H new ATOM 0 HD2 LYS A 83 19.826 -8.521 -0.134 1.00 0.13 H new ATOM 0 HD3 LYS A 83 21.359 -9.071 -0.780 1.00 0.13 H new ATOM 0 HE2 LYS A 83 20.690 -11.446 0.011 1.00 0.48 H new ATOM 0 HE3 LYS A 83 19.086 -10.801 0.301 1.00 0.48 H new ATOM 0 HZ1 LYS A 83 18.749 -11.230 -1.863 1.00 0.94 H new ATOM 0 HZ2 LYS A 83 19.671 -9.837 -2.172 1.00 0.94 H new ATOM 0 HZ3 LYS A 83 20.407 -11.367 -2.206 1.00 0.94 H new ATOM 1344 N TYR A 84 23.176 -5.973 3.296 1.00 0.48 N ATOM 1345 CA TYR A 84 24.121 -4.848 3.594 1.00 0.54 C ATOM 1346 C TYR A 84 23.799 -4.153 4.915 1.00 0.69 C ATOM 1347 O TYR A 84 24.783 -3.929 5.594 1.00 0.79 O ATOM 1348 CB TYR A 84 24.139 -3.842 2.362 1.00 0.53 C ATOM 1349 CG TYR A 84 24.501 -4.822 1.261 1.00 0.49 C ATOM 1350 CD1 TYR A 84 25.826 -5.114 1.061 1.00 1.25 C ATOM 1351 CD2 TYR A 84 23.534 -5.482 0.524 1.00 0.53 C ATOM 1352 CE1 TYR A 84 26.181 -6.069 0.135 1.00 1.23 C ATOM 1353 CE2 TYR A 84 23.885 -6.433 -0.391 1.00 0.54 C ATOM 1354 CZ TYR A 84 25.217 -6.729 -0.592 1.00 0.44 C ATOM 1355 OH TYR A 84 25.626 -7.654 -1.525 1.00 0.45 O ATOM 0 H TYR A 84 22.213 -5.704 3.095 1.00 0.48 H new ATOM 0 HA TYR A 84 25.124 -5.255 3.725 1.00 0.54 H new ATOM 0 HB2 TYR A 84 23.175 -3.361 2.197 1.00 0.53 H new ATOM 0 HB3 TYR A 84 24.876 -3.048 2.478 1.00 0.53 H new ATOM 0 HD1 TYR A 84 26.587 -4.597 1.627 1.00 1.25 H new ATOM 0 HD2 TYR A 84 22.492 -5.243 0.674 1.00 0.53 H new ATOM 0 HE1 TYR A 84 27.224 -6.302 -0.022 1.00 1.23 H new ATOM 0 HE2 TYR A 84 23.123 -6.951 -0.955 1.00 0.54 H new ATOM 0 HH TYR A 84 24.859 -8.196 -1.806 1.00 0.45 H new ATOM 1365 N GLY A 85 22.583 -3.809 5.320 1.00 0.72 N ATOM 1366 CA GLY A 85 22.512 -3.134 6.695 1.00 0.88 C ATOM 1367 C GLY A 85 21.752 -1.837 6.966 1.00 0.66 C ATOM 1368 O GLY A 85 22.352 -0.817 7.303 1.00 0.84 O ATOM 0 H GLY A 85 21.705 -3.945 4.819 1.00 0.72 H new ATOM 0 HA2 GLY A 85 22.102 -3.877 7.379 1.00 0.88 H new ATOM 0 HA3 GLY A 85 23.543 -2.954 7.000 1.00 0.88 H new ATOM 1372 N ILE A 86 20.466 -1.960 6.784 1.00 0.44 N ATOM 1373 CA ILE A 86 19.471 -0.901 6.979 1.00 0.26 C ATOM 1374 C ILE A 86 18.263 -1.459 7.824 1.00 0.58 C ATOM 1375 O ILE A 86 18.183 -2.676 7.933 1.00 1.34 O ATOM 1376 CB ILE A 86 19.117 -0.436 5.533 1.00 0.23 C ATOM 1377 CG1 ILE A 86 17.636 -0.604 5.145 1.00 0.86 C ATOM 1378 CG2 ILE A 86 20.038 -0.994 4.419 1.00 0.73 C ATOM 1379 CD1 ILE A 86 16.979 0.759 4.858 1.00 1.06 C ATOM 1380 OXT ILE A 86 17.473 -0.653 8.307 1.00 0.69 O ATOM 0 H ILE A 86 20.046 -2.839 6.481 1.00 0.44 H new ATOM 0 HA ILE A 86 19.818 -0.044 7.556 1.00 0.26 H new ATOM 0 HB ILE A 86 19.313 0.635 5.594 1.00 0.23 H new ATOM 0 HG12 ILE A 86 17.558 -1.241 4.264 1.00 0.86 H new ATOM 0 HG13 ILE A 86 17.101 -1.107 5.951 1.00 0.86 H new ATOM 0 HG21 ILE A 86 19.711 -0.613 3.452 1.00 0.73 H new ATOM 0 HG22 ILE A 86 21.065 -0.679 4.604 1.00 0.73 H new ATOM 0 HG23 ILE A 86 19.987 -2.083 4.416 1.00 0.73 H new ATOM 0 HD11 ILE A 86 15.934 0.609 4.587 1.00 1.06 H new ATOM 0 HD12 ILE A 86 17.037 1.385 5.748 1.00 1.06 H new ATOM 0 HD13 ILE A 86 17.501 1.248 4.036 1.00 1.06 H new