USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 903 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 78 GLN : amide:sc= -2.86! C(o=-3.5!,f=-15!) USER MOD Set 1.2: A 85 LYS NZ :NH3+ -158:sc= -0.612 (180deg=-1.86!) USER MOD Single : A 1 MET CE :methyl -155:sc= -0.186 (180deg=-0.996) USER MOD Single : A 1 MET N :NH3+ -128:sc= 0.0313 (180deg=-0.373) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -2 X(o=-2,f=-2.5) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0143 USER MOD Single : A 8 LYS NZ :NH3+ 161:sc= -1.39 (180deg=-2.01) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.13) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 136:sc= -0.454 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 161:sc= -0.0475 (180deg=-0.461) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -156:sc= 0.317 (180deg=0.122) USER MOD Single : A 43 HIS : no HD1:sc= -1.7 K(o=-1.7,f=-2.4!) USER MOD Single : A 44 SER OG : rot 69:sc= 0.866 USER MOD Single : A 46 SER OG : rot -37:sc= -0.705 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 165:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.125 X(o=-0.13,f=-0.14) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 67 SER OG : rot -36:sc= 0.17 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.775 USER MOD Single : A 76 THR OG1 : rot 97:sc= 0.553 USER MOD Single : A 81 LYS NZ :NH3+ -126:sc= -0.0599 (180deg=-0.146) USER MOD Single : A 82 LYS NZ :NH3+ 146:sc= -3.2! (180deg=-3.87!) USER MOD Single : A 84 GLN : amide:sc= -0.645 K(o=-0.65,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -3.79! K(o=-3.8!,f=-1.8) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 83:sc= 0.168 USER MOD Single : A 102 ASN : amide:sc= -1.87! K(o=-1.9!,f=-0.022) USER MOD Single : B 61 THR OG1 : rot 180:sc= 0 USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 68 ASN : amide:sc= -2.29! K(o=-2.3!,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.728 -2.300 8.139 1.00 1.04 N ATOM 2 CA MET A 1 -7.791 -1.911 9.233 1.00 0.78 C ATOM 3 C MET A 1 -6.402 -1.639 8.652 1.00 0.57 C ATOM 4 O MET A 1 -6.099 -2.014 7.537 1.00 0.63 O ATOM 5 CB MET A 1 -7.691 -3.047 10.257 1.00 0.79 C ATOM 6 CG MET A 1 -9.036 -3.238 10.967 1.00 1.45 C ATOM 7 SD MET A 1 -9.443 -1.758 11.934 1.00 2.32 S ATOM 8 CE MET A 1 -8.147 -1.913 13.192 1.00 2.88 C ATOM 0 H1 MET A 1 -9.580 -1.706 8.184 1.00 1.04 H new ATOM 0 H2 MET A 1 -8.262 -2.167 7.219 1.00 1.04 H new ATOM 0 H3 MET A 1 -8.996 -3.299 8.250 1.00 1.04 H new ATOM 0 HA MET A 1 -8.168 -1.011 9.719 1.00 0.78 H new ATOM 0 HB2 MET A 1 -7.400 -3.972 9.758 1.00 0.79 H new ATOM 0 HB3 MET A 1 -6.914 -2.821 10.988 1.00 0.79 H new ATOM 0 HG2 MET A 1 -9.819 -3.430 10.234 1.00 1.45 H new ATOM 0 HG3 MET A 1 -8.991 -4.109 11.621 1.00 1.45 H new ATOM 0 HE1 MET A 1 -8.460 -1.401 14.102 1.00 2.88 H new ATOM 0 HE2 MET A 1 -7.975 -2.967 13.409 1.00 2.88 H new ATOM 0 HE3 MET A 1 -7.225 -1.464 12.822 1.00 2.88 H new ATOM 20 N VAL A 2 -5.554 -0.994 9.410 1.00 0.41 N ATOM 21 CA VAL A 2 -4.168 -0.684 8.927 1.00 0.28 C ATOM 22 C VAL A 2 -3.188 -1.713 9.508 1.00 0.23 C ATOM 23 O VAL A 2 -3.207 -1.994 10.691 1.00 0.24 O ATOM 24 CB VAL A 2 -3.779 0.716 9.402 1.00 0.33 C ATOM 25 CG1 VAL A 2 -2.310 0.985 9.069 1.00 0.45 C ATOM 26 CG2 VAL A 2 -4.656 1.747 8.687 1.00 0.40 C ATOM 0 H VAL A 2 -5.761 -0.664 10.353 1.00 0.41 H new ATOM 0 HA VAL A 2 -4.135 -0.726 7.838 1.00 0.28 H new ATOM 0 HB VAL A 2 -3.923 0.788 10.480 1.00 0.33 H new ATOM 0 HG11 VAL A 2 -2.037 1.984 9.409 1.00 0.45 H new ATOM 0 HG12 VAL A 2 -1.683 0.247 9.569 1.00 0.45 H new ATOM 0 HG13 VAL A 2 -2.163 0.916 7.991 1.00 0.45 H new ATOM 0 HG21 VAL A 2 -4.385 2.749 9.020 1.00 0.40 H new ATOM 0 HG22 VAL A 2 -4.505 1.669 7.610 1.00 0.40 H new ATOM 0 HG23 VAL A 2 -5.704 1.558 8.921 1.00 0.40 H new ATOM 36 N LYS A 3 -2.331 -2.279 8.687 1.00 0.20 N ATOM 37 CA LYS A 3 -1.344 -3.292 9.183 1.00 0.18 C ATOM 38 C LYS A 3 0.039 -2.939 8.642 1.00 0.15 C ATOM 39 O LYS A 3 0.201 -2.657 7.471 1.00 0.16 O ATOM 40 CB LYS A 3 -1.753 -4.681 8.675 1.00 0.19 C ATOM 41 CG LYS A 3 -0.808 -5.765 9.224 1.00 0.20 C ATOM 42 CD LYS A 3 -1.045 -5.970 10.726 1.00 0.81 C ATOM 43 CE LYS A 3 -0.488 -7.328 11.157 1.00 1.03 C ATOM 44 NZ LYS A 3 -0.697 -7.501 12.622 1.00 1.67 N ATOM 0 H LYS A 3 -2.274 -2.080 7.688 1.00 0.20 H new ATOM 0 HA LYS A 3 -1.324 -3.294 10.273 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -2.777 -4.897 8.979 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -1.735 -4.694 7.585 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -0.972 -6.702 8.692 1.00 0.20 H new ATOM 0 HG3 LYS A 3 0.228 -5.476 9.049 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -0.563 -5.173 11.292 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -2.111 -5.917 10.946 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.985 -8.129 10.610 1.00 1.03 H new ATOM 0 HE3 LYS A 3 0.574 -7.391 10.919 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 -0.320 -8.423 12.920 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 -0.203 -6.743 13.135 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 -1.714 -7.458 12.835 1.00 1.67 H new ATOM 58 N GLN A 4 1.040 -2.959 9.482 1.00 0.15 N ATOM 59 CA GLN A 4 2.420 -2.630 9.018 1.00 0.14 C ATOM 60 C GLN A 4 3.182 -3.927 8.739 1.00 0.12 C ATOM 61 O GLN A 4 3.320 -4.774 9.599 1.00 0.13 O ATOM 62 CB GLN A 4 3.141 -1.843 10.114 1.00 0.16 C ATOM 63 CG GLN A 4 4.548 -1.461 9.641 1.00 0.17 C ATOM 64 CD GLN A 4 5.257 -0.671 10.740 1.00 0.22 C ATOM 65 OE1 GLN A 4 4.973 -0.843 11.908 1.00 0.29 O ATOM 66 NE2 GLN A 4 6.174 0.198 10.411 1.00 0.31 N ATOM 0 H GLN A 4 0.961 -3.190 10.472 1.00 0.15 H new ATOM 0 HA GLN A 4 2.372 -2.033 8.107 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.575 -0.945 10.362 1.00 0.16 H new ATOM 0 HB3 GLN A 4 3.203 -2.442 11.023 1.00 0.16 H new ATOM 0 HG2 GLN A 4 5.118 -2.358 9.398 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.488 -0.865 8.731 1.00 0.17 H new ATOM 0 HE21 GLN A 4 6.412 0.342 9.430 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.653 0.733 11.135 1.00 0.31 H new ATOM 75 N ILE A 5 3.696 -4.078 7.548 1.00 0.10 N ATOM 76 CA ILE A 5 4.473 -5.306 7.206 1.00 0.10 C ATOM 77 C ILE A 5 5.962 -4.978 7.266 1.00 0.10 C ATOM 78 O ILE A 5 6.456 -4.185 6.488 1.00 0.11 O ATOM 79 CB ILE A 5 4.132 -5.739 5.779 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.606 -5.807 5.623 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.774 -7.110 5.465 1.00 0.15 C ATOM 82 CD1 ILE A 5 2.005 -6.718 6.700 1.00 0.19 C ATOM 0 H ILE A 5 3.611 -3.399 6.792 1.00 0.10 H new ATOM 0 HA ILE A 5 4.227 -6.103 7.908 1.00 0.10 H new ATOM 0 HB ILE A 5 4.532 -5.011 5.073 1.00 0.11 H new ATOM 0 HG12 ILE A 5 2.180 -4.807 5.703 1.00 0.13 H new ATOM 0 HG13 ILE A 5 2.351 -6.184 4.633 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.522 -7.405 4.446 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.857 -7.036 5.564 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.396 -7.857 6.163 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.922 -6.759 6.580 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.419 -7.721 6.600 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.246 -6.323 7.687 1.00 0.19 H new ATOM 94 N GLU A 6 6.688 -5.588 8.165 1.00 0.11 N ATOM 95 CA GLU A 6 8.153 -5.313 8.251 1.00 0.13 C ATOM 96 C GLU A 6 8.913 -6.437 7.542 1.00 0.12 C ATOM 97 O GLU A 6 10.124 -6.416 7.456 1.00 0.13 O ATOM 98 CB GLU A 6 8.579 -5.261 9.721 1.00 0.15 C ATOM 99 CG GLU A 6 7.814 -4.153 10.449 1.00 0.17 C ATOM 100 CD GLU A 6 8.344 -2.785 10.010 1.00 1.45 C ATOM 101 OE1 GLU A 6 9.277 -2.756 9.226 1.00 2.25 O ATOM 102 OE2 GLU A 6 7.806 -1.790 10.467 1.00 2.25 O ATOM 0 H GLU A 6 6.332 -6.263 8.842 1.00 0.11 H new ATOM 0 HA GLU A 6 8.376 -4.357 7.776 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.386 -6.222 10.198 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.652 -5.080 9.791 1.00 0.15 H new ATOM 0 HG2 GLU A 6 6.749 -4.229 10.229 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.926 -4.268 11.527 1.00 0.17 H new ATOM 109 N SER A 7 8.214 -7.417 7.017 1.00 0.12 N ATOM 110 CA SER A 7 8.920 -8.530 6.306 1.00 0.13 C ATOM 111 C SER A 7 8.029 -9.143 5.224 1.00 0.12 C ATOM 112 O SER A 7 6.819 -9.130 5.308 1.00 0.12 O ATOM 113 CB SER A 7 9.286 -9.624 7.309 1.00 0.15 C ATOM 114 OG SER A 7 8.100 -10.122 7.915 1.00 0.15 O ATOM 0 H SER A 7 7.197 -7.494 7.049 1.00 0.12 H new ATOM 0 HA SER A 7 9.816 -8.120 5.840 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.818 -10.432 6.806 1.00 0.15 H new ATOM 0 HB3 SER A 7 9.957 -9.226 8.070 1.00 0.15 H new ATOM 0 HG SER A 7 8.331 -10.825 8.557 1.00 0.15 H new ATOM 120 N LYS A 8 8.638 -9.715 4.219 1.00 0.14 N ATOM 121 CA LYS A 8 7.856 -10.367 3.135 1.00 0.15 C ATOM 122 C LYS A 8 7.099 -11.545 3.735 1.00 0.15 C ATOM 123 O LYS A 8 6.021 -11.897 3.300 1.00 0.16 O ATOM 124 CB LYS A 8 8.807 -10.875 2.052 1.00 0.18 C ATOM 125 CG LYS A 8 7.997 -11.317 0.833 1.00 0.21 C ATOM 126 CD LYS A 8 8.933 -11.812 -0.279 1.00 0.43 C ATOM 127 CE LYS A 8 9.802 -12.971 0.225 1.00 0.80 C ATOM 128 NZ LYS A 8 8.999 -13.838 1.133 1.00 1.65 N ATOM 0 H LYS A 8 9.651 -9.757 4.104 1.00 0.14 H new ATOM 0 HA LYS A 8 7.160 -9.654 2.693 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.509 -10.090 1.771 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.397 -11.709 2.432 1.00 0.18 H new ATOM 0 HG2 LYS A 8 7.306 -12.111 1.116 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.395 -10.485 0.467 1.00 0.21 H new ATOM 0 HD2 LYS A 8 8.346 -12.137 -1.138 1.00 0.43 H new ATOM 0 HD3 LYS A 8 9.569 -10.994 -0.618 1.00 0.43 H new ATOM 0 HE2 LYS A 8 10.173 -13.554 -0.618 1.00 0.80 H new ATOM 0 HE3 LYS A 8 10.674 -12.583 0.752 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 9.455 -14.769 1.218 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 8.939 -13.395 2.072 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 8.042 -13.956 0.744 1.00 1.65 H new ATOM 142 N THR A 9 7.662 -12.164 4.737 1.00 0.15 N ATOM 143 CA THR A 9 6.974 -13.326 5.355 1.00 0.17 C ATOM 144 C THR A 9 5.605 -12.874 5.849 1.00 0.16 C ATOM 145 O THR A 9 4.599 -13.507 5.594 1.00 0.17 O ATOM 146 CB THR A 9 7.797 -13.845 6.536 1.00 0.19 C ATOM 147 OG1 THR A 9 9.111 -14.159 6.094 1.00 0.22 O ATOM 148 CG2 THR A 9 7.133 -15.097 7.112 1.00 0.23 C ATOM 0 H THR A 9 8.561 -11.916 5.150 1.00 0.15 H new ATOM 0 HA THR A 9 6.863 -14.124 4.621 1.00 0.17 H new ATOM 0 HB THR A 9 7.849 -13.078 7.309 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.640 -14.490 6.850 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.720 -15.466 7.953 1.00 0.23 H new ATOM 0 HG22 THR A 9 6.127 -14.852 7.452 1.00 0.23 H new ATOM 0 HG23 THR A 9 7.079 -15.867 6.342 1.00 0.23 H new ATOM 156 N ALA A 10 5.558 -11.771 6.534 1.00 0.15 N ATOM 157 CA ALA A 10 4.253 -11.256 7.024 1.00 0.15 C ATOM 158 C ALA A 10 3.414 -10.805 5.831 1.00 0.14 C ATOM 159 O ALA A 10 2.204 -10.867 5.853 1.00 0.15 O ATOM 160 CB ALA A 10 4.484 -10.073 7.967 1.00 0.17 C ATOM 0 H ALA A 10 6.369 -11.202 6.777 1.00 0.15 H new ATOM 0 HA ALA A 10 3.729 -12.044 7.565 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.524 -9.699 8.323 1.00 0.17 H new ATOM 0 HB2 ALA A 10 5.085 -10.397 8.816 1.00 0.17 H new ATOM 0 HB3 ALA A 10 5.007 -9.279 7.434 1.00 0.17 H new ATOM 166 N PHE A 11 4.051 -10.343 4.786 1.00 0.14 N ATOM 167 CA PHE A 11 3.279 -9.875 3.600 1.00 0.13 C ATOM 168 C PHE A 11 2.440 -11.026 3.071 1.00 0.14 C ATOM 169 O PHE A 11 1.276 -10.875 2.749 1.00 0.14 O ATOM 170 CB PHE A 11 4.264 -9.445 2.504 1.00 0.14 C ATOM 171 CG PHE A 11 3.519 -8.772 1.372 1.00 0.14 C ATOM 172 CD1 PHE A 11 2.893 -7.538 1.580 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.461 -9.380 0.110 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.206 -6.917 0.531 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.777 -8.757 -0.938 1.00 0.14 C ATOM 176 CZ PHE A 11 2.148 -7.527 -0.727 1.00 0.14 C ATOM 0 H PHE A 11 5.065 -10.270 4.704 1.00 0.14 H new ATOM 0 HA PHE A 11 2.638 -9.040 3.881 1.00 0.13 H new ATOM 0 HB2 PHE A 11 5.006 -8.762 2.918 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.805 -10.314 2.128 1.00 0.14 H new ATOM 0 HD1 PHE A 11 2.940 -7.065 2.550 1.00 0.14 H new ATOM 0 HD2 PHE A 11 3.946 -10.331 -0.053 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.720 -5.966 0.692 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.735 -9.226 -1.910 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.617 -7.047 -1.535 1.00 0.14 H new ATOM 186 N GLN A 12 3.025 -12.181 2.988 1.00 0.14 N ATOM 187 CA GLN A 12 2.278 -13.358 2.486 1.00 0.16 C ATOM 188 C GLN A 12 1.159 -13.681 3.481 1.00 0.15 C ATOM 189 O GLN A 12 0.042 -13.980 3.107 1.00 0.16 O ATOM 190 CB GLN A 12 3.244 -14.540 2.414 1.00 0.18 C ATOM 191 CG GLN A 12 4.384 -14.213 1.443 1.00 0.17 C ATOM 192 CD GLN A 12 3.827 -14.038 0.030 1.00 0.40 C ATOM 193 OE1 GLN A 12 3.323 -14.974 -0.557 1.00 1.12 O ATOM 194 NE2 GLN A 12 3.892 -12.868 -0.542 1.00 1.31 N ATOM 0 H GLN A 12 3.995 -12.362 3.248 1.00 0.14 H new ATOM 0 HA GLN A 12 1.854 -13.159 1.502 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.646 -14.755 3.404 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.716 -15.435 2.083 1.00 0.18 H new ATOM 0 HG2 GLN A 12 4.893 -13.302 1.759 1.00 0.17 H new ATOM 0 HG3 GLN A 12 5.125 -15.012 1.455 1.00 0.17 H new ATOM 0 HE21 GLN A 12 4.315 -12.082 -0.049 1.00 1.31 H new ATOM 0 HE22 GLN A 12 3.519 -12.739 -1.483 1.00 1.31 H new ATOM 203 N GLU A 13 1.462 -13.610 4.753 1.00 0.16 N ATOM 204 CA GLU A 13 0.434 -13.899 5.798 1.00 0.17 C ATOM 205 C GLU A 13 -0.688 -12.866 5.737 1.00 0.15 C ATOM 206 O GLU A 13 -1.844 -13.179 5.947 1.00 0.16 O ATOM 207 CB GLU A 13 1.092 -13.849 7.185 1.00 0.19 C ATOM 208 CG GLU A 13 2.121 -14.976 7.324 1.00 0.28 C ATOM 209 CD GLU A 13 1.413 -16.330 7.249 1.00 0.95 C ATOM 210 OE1 GLU A 13 0.248 -16.389 7.607 1.00 1.77 O ATOM 211 OE2 GLU A 13 2.048 -17.286 6.836 1.00 1.67 O ATOM 0 H GLU A 13 2.383 -13.363 5.114 1.00 0.16 H new ATOM 0 HA GLU A 13 0.016 -14.889 5.618 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.577 -12.884 7.331 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.331 -13.944 7.960 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.867 -14.900 6.533 1.00 0.28 H new ATOM 0 HG3 GLU A 13 2.651 -14.883 8.272 1.00 0.28 H new ATOM 218 N ALA A 14 -0.359 -11.636 5.472 1.00 0.15 N ATOM 219 CA ALA A 14 -1.412 -10.591 5.414 1.00 0.14 C ATOM 220 C ALA A 14 -2.304 -10.831 4.201 1.00 0.13 C ATOM 221 O ALA A 14 -3.511 -10.711 4.272 1.00 0.13 O ATOM 222 CB ALA A 14 -0.759 -9.217 5.303 1.00 0.15 C ATOM 0 H ALA A 14 0.591 -11.310 5.294 1.00 0.15 H new ATOM 0 HA ALA A 14 -2.016 -10.634 6.320 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.532 -8.449 5.260 1.00 0.15 H new ATOM 0 HB2 ALA A 14 -0.124 -9.045 6.172 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.154 -9.174 4.397 1.00 0.15 H new ATOM 228 N LEU A 15 -1.724 -11.169 3.083 1.00 0.12 N ATOM 229 CA LEU A 15 -2.549 -11.410 1.874 1.00 0.12 C ATOM 230 C LEU A 15 -3.516 -12.549 2.167 1.00 0.13 C ATOM 231 O LEU A 15 -4.671 -12.516 1.792 1.00 0.13 O ATOM 232 CB LEU A 15 -1.638 -11.819 0.718 1.00 0.13 C ATOM 233 CG LEU A 15 -0.796 -10.617 0.268 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.255 -11.087 -0.746 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.691 -9.534 -0.371 1.00 0.17 C ATOM 0 H LEU A 15 -0.719 -11.288 2.958 1.00 0.12 H new ATOM 0 HA LEU A 15 -3.097 -10.506 1.608 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -0.986 -12.635 1.028 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.236 -12.188 -0.115 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.302 -10.185 1.139 1.00 0.13 H new ATOM 0 HD11 LEU A 15 0.855 -10.236 -1.068 1.00 0.17 H new ATOM 0 HD12 LEU A 15 0.901 -11.832 -0.282 1.00 0.17 H new ATOM 0 HD13 LEU A 15 -0.244 -11.527 -1.609 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -1.075 -8.691 -0.683 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.203 -9.950 -1.239 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.428 -9.195 0.357 1.00 0.17 H new ATOM 247 N ASP A 16 -3.046 -13.557 2.846 1.00 0.13 N ATOM 248 CA ASP A 16 -3.924 -14.705 3.180 1.00 0.15 C ATOM 249 C ASP A 16 -4.991 -14.279 4.188 1.00 0.15 C ATOM 250 O ASP A 16 -6.113 -14.742 4.153 1.00 0.16 O ATOM 251 CB ASP A 16 -3.092 -15.835 3.781 1.00 0.17 C ATOM 252 CG ASP A 16 -3.960 -17.090 3.886 1.00 0.19 C ATOM 253 OD1 ASP A 16 -5.012 -17.111 3.265 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.564 -18.003 4.589 1.00 1.07 O ATOM 0 H ASP A 16 -2.087 -13.633 3.184 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.408 -15.050 2.266 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -2.219 -16.032 3.159 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.723 -15.549 4.766 1.00 0.17 H new ATOM 259 N ALA A 17 -4.635 -13.429 5.109 1.00 0.15 N ATOM 260 CA ALA A 17 -5.612 -12.998 6.146 1.00 0.16 C ATOM 261 C ALA A 17 -6.720 -12.151 5.516 1.00 0.15 C ATOM 262 O ALA A 17 -7.870 -12.236 5.900 1.00 0.17 O ATOM 263 CB ALA A 17 -4.880 -12.181 7.211 1.00 0.18 C ATOM 0 H ALA A 17 -3.707 -13.013 5.189 1.00 0.15 H new ATOM 0 HA ALA A 17 -6.066 -13.879 6.600 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.589 -11.861 7.975 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -4.104 -12.794 7.670 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.425 -11.305 6.749 1.00 0.18 H new ATOM 269 N ALA A 18 -6.393 -11.342 4.551 1.00 0.14 N ATOM 270 CA ALA A 18 -7.438 -10.498 3.902 1.00 0.15 C ATOM 271 C ALA A 18 -8.463 -11.402 3.215 1.00 0.14 C ATOM 272 O ALA A 18 -9.635 -11.091 3.148 1.00 0.17 O ATOM 273 CB ALA A 18 -6.781 -9.594 2.863 1.00 0.15 C ATOM 0 H ALA A 18 -5.449 -11.226 4.182 1.00 0.14 H new ATOM 0 HA ALA A 18 -7.937 -9.887 4.654 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.541 -8.975 2.386 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -6.046 -8.954 3.351 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.286 -10.206 2.109 1.00 0.15 H new ATOM 279 N GLY A 19 -8.029 -12.523 2.709 1.00 0.16 N ATOM 280 CA GLY A 19 -8.971 -13.458 2.032 1.00 0.20 C ATOM 281 C GLY A 19 -9.489 -12.839 0.730 1.00 0.16 C ATOM 282 O GLY A 19 -8.726 -12.474 -0.140 1.00 0.17 O ATOM 0 H GLY A 19 -7.058 -12.833 2.735 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.468 -14.401 1.819 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.807 -13.685 2.693 1.00 0.20 H new ATOM 286 N ASP A 20 -10.782 -12.736 0.584 1.00 0.15 N ATOM 287 CA ASP A 20 -11.358 -12.162 -0.669 1.00 0.14 C ATOM 288 C ASP A 20 -11.524 -10.645 -0.536 1.00 0.12 C ATOM 289 O ASP A 20 -11.992 -9.986 -1.444 1.00 0.13 O ATOM 290 CB ASP A 20 -12.723 -12.797 -0.928 1.00 0.15 C ATOM 291 CG ASP A 20 -12.558 -14.310 -1.083 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.469 -14.735 -1.430 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.524 -15.019 -0.850 1.00 1.07 O ATOM 0 H ASP A 20 -11.468 -13.026 1.281 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.682 -12.371 -1.498 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.401 -12.577 -0.104 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -13.168 -12.374 -1.829 1.00 0.15 H new ATOM 298 N LYS A 21 -11.155 -10.079 0.579 1.00 0.12 N ATOM 299 CA LYS A 21 -11.312 -8.603 0.743 1.00 0.12 C ATOM 300 C LYS A 21 -10.248 -7.884 -0.086 1.00 0.10 C ATOM 301 O LYS A 21 -9.150 -8.376 -0.254 1.00 0.11 O ATOM 302 CB LYS A 21 -11.118 -8.226 2.214 1.00 0.15 C ATOM 303 CG LYS A 21 -12.294 -8.736 3.055 1.00 0.21 C ATOM 304 CD LYS A 21 -12.334 -7.980 4.385 1.00 0.31 C ATOM 305 CE LYS A 21 -13.249 -8.714 5.363 1.00 0.80 C ATOM 306 NZ LYS A 21 -13.443 -7.882 6.583 1.00 1.50 N ATOM 0 H LYS A 21 -10.754 -10.568 1.379 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.309 -8.311 0.411 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.186 -8.651 2.585 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -11.036 -7.143 2.311 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.230 -8.594 2.515 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.189 -9.806 3.235 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -11.329 -7.901 4.800 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -12.694 -6.964 4.227 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -14.211 -8.919 4.893 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -12.814 -9.677 5.632 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -14.066 -8.382 7.249 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -12.522 -7.708 7.034 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -13.876 -6.974 6.319 1.00 1.50 H new ATOM 320 N LEU A 22 -10.555 -6.722 -0.603 1.00 0.11 N ATOM 321 CA LEU A 22 -9.546 -5.992 -1.410 1.00 0.12 C ATOM 322 C LEU A 22 -8.328 -5.753 -0.503 1.00 0.12 C ATOM 323 O LEU A 22 -8.438 -5.789 0.707 1.00 0.14 O ATOM 324 CB LEU A 22 -10.169 -4.648 -1.863 1.00 0.15 C ATOM 325 CG LEU A 22 -9.783 -4.288 -3.309 1.00 0.29 C ATOM 326 CD1 LEU A 22 -10.334 -2.880 -3.659 1.00 0.31 C ATOM 327 CD2 LEU A 22 -8.255 -4.298 -3.476 1.00 0.47 C ATOM 0 H LEU A 22 -11.455 -6.254 -0.500 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.241 -6.551 -2.295 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -11.254 -4.707 -1.782 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.842 -3.853 -1.193 1.00 0.15 H new ATOM 0 HG LEU A 22 -10.215 -5.029 -3.982 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -10.060 -2.626 -4.683 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.420 -2.880 -3.563 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -9.910 -2.143 -2.977 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -8.000 -4.041 -4.504 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -7.810 -3.569 -2.799 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -7.870 -5.291 -3.244 1.00 0.47 H new ATOM 339 N VAL A 23 -7.177 -5.500 -1.062 1.00 0.11 N ATOM 340 CA VAL A 23 -5.977 -5.252 -0.222 1.00 0.11 C ATOM 341 C VAL A 23 -5.091 -4.239 -0.929 1.00 0.11 C ATOM 342 O VAL A 23 -4.650 -4.461 -2.040 1.00 0.17 O ATOM 343 CB VAL A 23 -5.188 -6.548 -0.038 1.00 0.11 C ATOM 344 CG1 VAL A 23 -3.937 -6.258 0.792 1.00 0.16 C ATOM 345 CG2 VAL A 23 -6.046 -7.584 0.686 1.00 0.12 C ATOM 0 H VAL A 23 -7.018 -5.455 -2.068 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.289 -4.879 0.753 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.905 -6.940 -1.015 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.369 -7.178 0.927 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.320 -5.523 0.275 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -4.229 -5.865 1.766 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.476 -8.504 0.813 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.334 -7.198 1.664 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -6.941 -7.790 0.099 1.00 0.12 H new ATOM 355 N VAL A 24 -4.822 -3.132 -0.294 1.00 0.09 N ATOM 356 CA VAL A 24 -3.953 -2.091 -0.917 1.00 0.09 C ATOM 357 C VAL A 24 -2.623 -2.064 -0.166 1.00 0.09 C ATOM 358 O VAL A 24 -2.591 -2.193 1.042 1.00 0.10 O ATOM 359 CB VAL A 24 -4.630 -0.724 -0.808 1.00 0.11 C ATOM 360 CG1 VAL A 24 -3.826 0.311 -1.601 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.047 -0.814 -1.374 1.00 0.14 C ATOM 0 H VAL A 24 -5.169 -2.901 0.637 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.787 -2.321 -1.970 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.674 -0.422 0.238 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.309 1.285 -1.523 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.815 0.374 -1.197 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.780 0.012 -2.648 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.532 0.159 -1.297 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -6.002 -1.116 -2.420 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.619 -1.550 -0.808 1.00 0.14 H new ATOM 371 N VAL A 25 -1.524 -1.916 -0.865 1.00 0.09 N ATOM 372 CA VAL A 25 -0.188 -1.897 -0.184 1.00 0.09 C ATOM 373 C VAL A 25 0.546 -0.600 -0.532 1.00 0.10 C ATOM 374 O VAL A 25 0.805 -0.311 -1.683 1.00 0.11 O ATOM 375 CB VAL A 25 0.640 -3.090 -0.673 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.937 -3.184 0.130 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.161 -4.385 -0.496 1.00 0.10 C ATOM 0 H VAL A 25 -1.493 -1.807 -1.879 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.327 -1.958 0.895 1.00 0.09 H new ATOM 0 HB VAL A 25 0.875 -2.950 -1.728 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.522 -4.034 -0.222 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.513 -2.268 -0.001 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.702 -3.317 1.186 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.432 -5.230 -0.845 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.403 -4.522 0.558 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.083 -4.325 -1.075 1.00 0.10 H new ATOM 387 N ASP A 26 0.892 0.177 0.461 1.00 0.11 N ATOM 388 CA ASP A 26 1.622 1.460 0.206 1.00 0.12 C ATOM 389 C ASP A 26 3.128 1.254 0.430 1.00 0.14 C ATOM 390 O ASP A 26 3.567 0.951 1.519 1.00 0.20 O ATOM 391 CB ASP A 26 1.101 2.537 1.165 1.00 0.14 C ATOM 392 CG ASP A 26 1.780 3.870 0.853 1.00 0.16 C ATOM 393 OD1 ASP A 26 1.661 4.325 -0.271 1.00 1.05 O ATOM 394 OD2 ASP A 26 2.404 4.415 1.746 1.00 1.04 O ATOM 0 H ASP A 26 0.701 -0.021 1.443 1.00 0.11 H new ATOM 0 HA ASP A 26 1.455 1.775 -0.824 1.00 0.12 H new ATOM 0 HB2 ASP A 26 0.020 2.635 1.065 1.00 0.14 H new ATOM 0 HB3 ASP A 26 1.301 2.248 2.197 1.00 0.14 H new ATOM 399 N PHE A 27 3.922 1.428 -0.595 1.00 0.13 N ATOM 400 CA PHE A 27 5.407 1.259 -0.464 1.00 0.13 C ATOM 401 C PHE A 27 6.064 2.608 -0.193 1.00 0.22 C ATOM 402 O PHE A 27 7.215 2.825 -0.520 1.00 0.73 O ATOM 403 CB PHE A 27 5.980 0.670 -1.757 1.00 0.11 C ATOM 404 CG PHE A 27 5.659 -0.799 -1.831 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.462 -1.715 -1.139 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.577 -1.250 -2.593 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.181 -3.084 -1.209 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.296 -2.618 -2.660 1.00 0.14 C ATOM 409 CZ PHE A 27 5.097 -3.535 -1.969 1.00 0.14 C ATOM 0 H PHE A 27 3.604 1.683 -1.530 1.00 0.13 H new ATOM 0 HA PHE A 27 5.611 0.583 0.367 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.562 1.187 -2.620 1.00 0.11 H new ATOM 0 HB3 PHE A 27 7.059 0.818 -1.789 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.298 -1.365 -0.552 1.00 0.11 H new ATOM 0 HD2 PHE A 27 3.960 -0.544 -3.128 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.800 -3.791 -0.677 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.459 -2.968 -3.246 1.00 0.14 H new ATOM 0 HZ PHE A 27 4.878 -4.591 -2.023 1.00 0.14 H new ATOM 419 N SER A 28 5.345 3.525 0.375 1.00 0.30 N ATOM 420 CA SER A 28 5.936 4.863 0.626 1.00 0.24 C ATOM 421 C SER A 28 7.162 4.748 1.519 1.00 0.24 C ATOM 422 O SER A 28 7.238 3.916 2.401 1.00 0.28 O ATOM 423 CB SER A 28 4.909 5.754 1.320 1.00 0.27 C ATOM 424 OG SER A 28 3.766 5.890 0.487 1.00 0.29 O ATOM 0 H SER A 28 4.377 3.409 0.676 1.00 0.30 H new ATOM 0 HA SER A 28 6.227 5.295 -0.332 1.00 0.24 H new ATOM 0 HB2 SER A 28 4.625 5.322 2.279 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.341 6.733 1.527 1.00 0.27 H new ATOM 0 HG SER A 28 2.954 5.799 1.028 1.00 0.29 H new ATOM 430 N ALA A 29 8.119 5.606 1.298 1.00 0.20 N ATOM 431 CA ALA A 29 9.347 5.589 2.128 1.00 0.21 C ATOM 432 C ALA A 29 9.052 6.355 3.411 1.00 0.22 C ATOM 433 O ALA A 29 8.599 7.482 3.378 1.00 0.22 O ATOM 434 CB ALA A 29 10.482 6.281 1.358 1.00 0.19 C ATOM 0 H ALA A 29 8.099 6.322 0.572 1.00 0.20 H new ATOM 0 HA ALA A 29 9.647 4.567 2.360 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.389 6.273 1.962 1.00 0.19 H new ATOM 0 HB2 ALA A 29 10.664 5.751 0.423 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.200 7.311 1.142 1.00 0.19 H new ATOM 440 N THR A 30 9.295 5.762 4.546 1.00 0.23 N ATOM 441 CA THR A 30 9.011 6.487 5.811 1.00 0.24 C ATOM 442 C THR A 30 9.988 7.650 5.944 1.00 0.22 C ATOM 443 O THR A 30 9.674 8.680 6.504 1.00 0.22 O ATOM 444 CB THR A 30 9.174 5.544 7.006 1.00 0.28 C ATOM 445 OG1 THR A 30 8.951 6.269 8.210 1.00 0.30 O ATOM 446 CG2 THR A 30 10.586 4.956 7.015 1.00 0.29 C ATOM 0 H THR A 30 9.673 4.820 4.651 1.00 0.23 H new ATOM 0 HA THR A 30 7.987 6.859 5.793 1.00 0.24 H new ATOM 0 HB THR A 30 8.451 4.732 6.928 1.00 0.28 H new ATOM 0 HG1 THR A 30 9.053 5.668 8.977 1.00 0.30 H new ATOM 0 HG21 THR A 30 10.696 4.286 7.868 1.00 0.29 H new ATOM 0 HG22 THR A 30 10.755 4.400 6.093 1.00 0.29 H new ATOM 0 HG23 THR A 30 11.315 5.762 7.091 1.00 0.29 H new ATOM 454 N TRP A 31 11.177 7.490 5.430 1.00 0.22 N ATOM 455 CA TRP A 31 12.182 8.586 5.528 1.00 0.21 C ATOM 456 C TRP A 31 11.848 9.723 4.567 1.00 0.19 C ATOM 457 O TRP A 31 12.283 10.845 4.751 1.00 0.22 O ATOM 458 CB TRP A 31 13.561 8.047 5.191 1.00 0.23 C ATOM 459 CG TRP A 31 13.581 7.543 3.783 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.470 6.247 3.427 1.00 0.26 C ATOM 461 CD2 TRP A 31 13.708 8.296 2.544 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.567 6.147 2.052 1.00 0.25 N ATOM 463 CE2 TRP A 31 13.702 7.384 1.462 1.00 0.21 C ATOM 464 CE3 TRP A 31 13.838 9.665 2.257 1.00 0.21 C ATOM 465 CZ2 TRP A 31 13.820 7.816 0.142 1.00 0.21 C ATOM 466 CZ3 TRP A 31 13.953 10.102 0.930 1.00 0.23 C ATOM 467 CH2 TRP A 31 13.944 9.180 -0.124 1.00 0.21 C ATOM 0 H TRP A 31 11.495 6.650 4.947 1.00 0.22 H new ATOM 0 HA TRP A 31 12.165 8.970 6.548 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.308 8.831 5.316 1.00 0.23 H new ATOM 0 HB3 TRP A 31 13.824 7.243 5.878 1.00 0.23 H new ATOM 0 HD1 TRP A 31 13.328 5.420 4.107 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.542 5.266 1.538 1.00 0.25 H new ATOM 0 HE3 TRP A 31 13.849 10.384 3.063 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 13.815 7.101 -0.668 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.049 11.157 0.719 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.033 9.525 -1.144 1.00 0.21 H new ATOM 478 N CYS A 32 11.097 9.458 3.536 1.00 0.18 N ATOM 479 CA CYS A 32 10.765 10.543 2.578 1.00 0.17 C ATOM 480 C CYS A 32 9.576 11.313 3.142 1.00 0.17 C ATOM 481 O CYS A 32 8.472 10.813 3.234 1.00 0.20 O ATOM 482 CB CYS A 32 10.430 9.926 1.212 1.00 0.18 C ATOM 483 SG CYS A 32 10.449 11.207 -0.074 1.00 0.26 S ATOM 0 H CYS A 32 10.702 8.543 3.317 1.00 0.18 H new ATOM 0 HA CYS A 32 11.605 11.224 2.442 1.00 0.17 H new ATOM 0 HB2 CYS A 32 11.152 9.146 0.970 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.449 9.452 1.249 1.00 0.18 H new ATOM 488 N GLY A 33 9.813 12.525 3.557 1.00 0.20 N ATOM 489 CA GLY A 33 8.724 13.337 4.156 1.00 0.23 C ATOM 490 C GLY A 33 7.571 13.508 3.170 1.00 0.21 C ATOM 491 O GLY A 33 6.431 13.272 3.515 1.00 0.22 O ATOM 0 H GLY A 33 10.720 12.989 3.506 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.363 12.856 5.065 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.110 14.315 4.445 1.00 0.23 H new ATOM 495 N PRO A 34 7.834 13.917 1.954 1.00 0.21 N ATOM 496 CA PRO A 34 6.735 14.089 0.971 1.00 0.22 C ATOM 497 C PRO A 34 5.868 12.828 0.859 1.00 0.22 C ATOM 498 O PRO A 34 4.675 12.900 0.661 1.00 0.24 O ATOM 499 CB PRO A 34 7.511 14.360 -0.328 1.00 0.29 C ATOM 500 CG PRO A 34 8.920 14.820 0.071 1.00 0.31 C ATOM 501 CD PRO A 34 9.208 14.252 1.471 1.00 0.24 C ATOM 0 HA PRO A 34 6.031 14.878 1.236 1.00 0.22 H new ATOM 0 HB2 PRO A 34 7.560 13.460 -0.942 1.00 0.29 H new ATOM 0 HB3 PRO A 34 7.011 15.125 -0.922 1.00 0.29 H new ATOM 0 HG2 PRO A 34 9.658 14.464 -0.647 1.00 0.31 H new ATOM 0 HG3 PRO A 34 8.981 15.908 0.078 1.00 0.31 H new ATOM 0 HD2 PRO A 34 9.853 13.374 1.431 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.701 14.981 2.114 1.00 0.24 H new ATOM 509 N ALA A 35 6.467 11.674 0.985 1.00 0.21 N ATOM 510 CA ALA A 35 5.683 10.410 0.882 1.00 0.23 C ATOM 511 C ALA A 35 4.921 10.149 2.190 1.00 0.23 C ATOM 512 O ALA A 35 3.730 9.915 2.187 1.00 0.22 O ATOM 513 CB ALA A 35 6.639 9.249 0.587 1.00 0.24 C ATOM 0 H ALA A 35 7.465 11.552 1.155 1.00 0.21 H new ATOM 0 HA ALA A 35 4.957 10.498 0.074 1.00 0.23 H new ATOM 0 HB1 ALA A 35 6.072 8.321 0.510 1.00 0.24 H new ATOM 0 HB2 ALA A 35 7.159 9.435 -0.353 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.367 9.164 1.393 1.00 0.24 H new ATOM 519 N LYS A 36 5.594 10.201 3.307 1.00 0.25 N ATOM 520 CA LYS A 36 4.902 9.964 4.609 1.00 0.27 C ATOM 521 C LYS A 36 3.798 11.011 4.796 1.00 0.26 C ATOM 522 O LYS A 36 2.752 10.742 5.349 1.00 0.27 O ATOM 523 CB LYS A 36 5.910 10.072 5.757 1.00 0.33 C ATOM 524 CG LYS A 36 5.252 9.619 7.063 1.00 0.37 C ATOM 525 CD LYS A 36 6.161 9.973 8.243 1.00 0.44 C ATOM 526 CE LYS A 36 5.513 9.511 9.549 1.00 0.89 C ATOM 527 NZ LYS A 36 5.397 8.026 9.551 1.00 1.59 N ATOM 0 H LYS A 36 6.593 10.397 3.376 1.00 0.25 H new ATOM 0 HA LYS A 36 4.463 8.966 4.609 1.00 0.27 H new ATOM 0 HB2 LYS A 36 6.784 9.456 5.546 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.260 11.100 5.852 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.282 10.102 7.180 1.00 0.37 H new ATOM 0 HG3 LYS A 36 5.072 8.544 7.038 1.00 0.37 H new ATOM 0 HD2 LYS A 36 7.134 9.497 8.120 1.00 0.44 H new ATOM 0 HD3 LYS A 36 6.333 11.049 8.272 1.00 0.44 H new ATOM 0 HE2 LYS A 36 6.110 9.840 10.399 1.00 0.89 H new ATOM 0 HE3 LYS A 36 4.527 9.963 9.657 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 5.267 7.689 10.526 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 4.580 7.741 8.974 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 6.263 7.610 9.154 1.00 1.59 H new ATOM 541 N MET A 37 4.035 12.204 4.340 1.00 0.28 N ATOM 542 CA MET A 37 3.024 13.290 4.485 1.00 0.30 C ATOM 543 C MET A 37 1.722 12.872 3.802 1.00 0.25 C ATOM 544 O MET A 37 0.655 13.328 4.155 1.00 0.25 O ATOM 545 CB MET A 37 3.561 14.565 3.832 1.00 0.38 C ATOM 546 CG MET A 37 2.658 15.752 4.176 1.00 0.44 C ATOM 547 SD MET A 37 3.141 17.172 3.163 1.00 1.54 S ATOM 548 CE MET A 37 1.806 18.287 3.652 1.00 2.10 C ATOM 0 H MET A 37 4.895 12.480 3.867 1.00 0.28 H new ATOM 0 HA MET A 37 2.831 13.473 5.542 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.577 14.759 4.176 1.00 0.38 H new ATOM 0 HB3 MET A 37 3.610 14.436 2.751 1.00 0.38 H new ATOM 0 HG2 MET A 37 1.614 15.497 3.993 1.00 0.44 H new ATOM 0 HG3 MET A 37 2.745 15.997 5.234 1.00 0.44 H new ATOM 0 HE1 MET A 37 1.918 19.238 3.132 1.00 2.10 H new ATOM 0 HE2 MET A 37 0.846 17.842 3.391 1.00 2.10 H new ATOM 0 HE3 MET A 37 1.848 18.455 4.728 1.00 2.10 H new ATOM 558 N ILE A 38 1.813 12.029 2.809 1.00 0.23 N ATOM 559 CA ILE A 38 0.596 11.575 2.074 1.00 0.25 C ATOM 560 C ILE A 38 -0.065 10.390 2.790 1.00 0.26 C ATOM 561 O ILE A 38 -1.090 9.906 2.358 1.00 0.31 O ATOM 562 CB ILE A 38 0.988 11.137 0.653 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.644 12.313 -0.075 1.00 0.34 C ATOM 564 CG2 ILE A 38 -0.265 10.684 -0.117 1.00 0.35 C ATOM 565 CD1 ILE A 38 2.361 11.812 -1.332 1.00 0.49 C ATOM 0 H ILE A 38 2.689 11.631 2.471 1.00 0.23 H new ATOM 0 HA ILE A 38 -0.109 12.405 2.035 1.00 0.25 H new ATOM 0 HB ILE A 38 1.690 10.305 0.710 1.00 0.33 H new ATOM 0 HG12 ILE A 38 0.889 13.051 -0.346 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.354 12.811 0.585 1.00 0.34 H new ATOM 0 HG21 ILE A 38 0.018 10.375 -1.123 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -0.729 9.846 0.403 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -0.973 11.510 -0.177 1.00 0.35 H new ATOM 0 HD11 ILE A 38 2.826 12.654 -1.846 1.00 0.49 H new ATOM 0 HD12 ILE A 38 3.128 11.090 -1.050 1.00 0.49 H new ATOM 0 HD13 ILE A 38 1.640 11.335 -1.996 1.00 0.49 H new ATOM 577 N LYS A 39 0.510 9.881 3.856 1.00 0.27 N ATOM 578 CA LYS A 39 -0.127 8.697 4.510 1.00 0.34 C ATOM 579 C LYS A 39 -1.495 9.017 5.156 1.00 0.30 C ATOM 580 O LYS A 39 -2.282 8.117 5.308 1.00 0.33 O ATOM 581 CB LYS A 39 0.790 7.998 5.549 1.00 0.46 C ATOM 582 CG LYS A 39 0.811 8.729 6.915 1.00 0.50 C ATOM 583 CD LYS A 39 1.688 7.977 7.939 1.00 0.65 C ATOM 584 CE LYS A 39 1.358 6.478 7.977 1.00 0.80 C ATOM 585 NZ LYS A 39 1.855 5.890 9.255 1.00 0.75 N ATOM 0 H LYS A 39 1.367 10.223 4.290 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.294 8.002 3.687 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.451 6.973 5.695 1.00 0.46 H new ATOM 0 HB3 LYS A 39 1.805 7.945 5.154 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.191 9.742 6.782 1.00 0.50 H new ATOM 0 HG3 LYS A 39 -0.205 8.817 7.299 1.00 0.50 H new ATOM 0 HD2 LYS A 39 2.740 8.112 7.686 1.00 0.65 H new ATOM 0 HD3 LYS A 39 1.541 8.407 8.930 1.00 0.65 H new ATOM 0 HE2 LYS A 39 0.282 6.330 7.891 1.00 0.80 H new ATOM 0 HE3 LYS A 39 1.818 5.972 7.128 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 2.010 4.869 9.130 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 2.751 6.346 9.522 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 1.151 6.044 10.005 1.00 0.75 H new ATOM 599 N PRO A 40 -1.807 10.231 5.595 1.00 0.26 N ATOM 600 CA PRO A 40 -3.127 10.445 6.255 1.00 0.25 C ATOM 601 C PRO A 40 -4.289 10.026 5.363 1.00 0.20 C ATOM 602 O PRO A 40 -5.244 9.458 5.827 1.00 0.21 O ATOM 603 CB PRO A 40 -3.116 11.956 6.517 1.00 0.26 C ATOM 604 CG PRO A 40 -1.655 12.395 6.465 1.00 0.28 C ATOM 605 CD PRO A 40 -0.965 11.456 5.471 1.00 0.27 C ATOM 0 HA PRO A 40 -3.263 9.849 7.157 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.706 12.484 5.768 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.555 12.184 7.488 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -1.571 13.433 6.143 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -1.193 12.328 7.450 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -0.968 11.856 4.457 1.00 0.27 H new ATOM 0 HD3 PRO A 40 0.075 11.269 5.737 1.00 0.27 H new ATOM 613 N PHE A 41 -4.223 10.288 4.090 1.00 0.16 N ATOM 614 CA PHE A 41 -5.355 9.864 3.227 1.00 0.13 C ATOM 615 C PHE A 41 -5.370 8.335 3.164 1.00 0.13 C ATOM 616 O PHE A 41 -6.384 7.695 3.338 1.00 0.15 O ATOM 617 CB PHE A 41 -5.142 10.394 1.815 1.00 0.14 C ATOM 618 CG PHE A 41 -5.312 11.890 1.784 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.311 12.714 2.305 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.466 12.450 1.228 1.00 0.22 C ATOM 621 CE1 PHE A 41 -4.466 14.105 2.272 1.00 0.34 C ATOM 622 CE2 PHE A 41 -6.622 13.839 1.194 1.00 0.31 C ATOM 623 CZ PHE A 41 -5.621 14.668 1.716 1.00 0.37 C ATOM 0 H PHE A 41 -3.454 10.765 3.619 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.291 10.248 3.633 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -4.144 10.128 1.467 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.853 9.927 1.133 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.420 12.279 2.732 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -7.237 11.810 0.825 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -3.694 14.744 2.676 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -7.514 14.272 0.766 1.00 0.31 H new ATOM 0 HZ PHE A 41 -5.740 15.741 1.690 1.00 0.37 H new ATOM 633 N PHE A 42 -4.224 7.751 2.953 1.00 0.12 N ATOM 634 CA PHE A 42 -4.120 6.266 2.893 1.00 0.13 C ATOM 635 C PHE A 42 -4.581 5.672 4.219 1.00 0.14 C ATOM 636 O PHE A 42 -5.433 4.812 4.274 1.00 0.16 O ATOM 637 CB PHE A 42 -2.648 5.919 2.641 1.00 0.13 C ATOM 638 CG PHE A 42 -2.461 4.425 2.578 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.794 3.728 1.414 1.00 0.12 C ATOM 640 CD2 PHE A 42 -1.957 3.732 3.688 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.627 2.341 1.356 1.00 0.13 C ATOM 642 CE2 PHE A 42 -1.788 2.343 3.630 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.124 1.647 2.464 1.00 0.13 C ATOM 0 H PHE A 42 -3.343 8.246 2.818 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.746 5.860 2.098 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.316 6.373 1.707 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -2.029 6.336 3.435 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.181 4.261 0.558 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.699 4.270 4.588 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -2.886 1.804 0.456 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.399 1.810 4.485 1.00 0.13 H new ATOM 0 HZ PHE A 42 -1.996 0.576 2.418 1.00 0.13 H new ATOM 653 N HIS A 43 -4.026 6.151 5.289 1.00 0.16 N ATOM 654 CA HIS A 43 -4.403 5.654 6.636 1.00 0.18 C ATOM 655 C HIS A 43 -5.849 6.051 6.963 1.00 0.16 C ATOM 656 O HIS A 43 -6.628 5.255 7.447 1.00 0.16 O ATOM 657 CB HIS A 43 -3.426 6.268 7.646 1.00 0.23 C ATOM 658 CG HIS A 43 -3.764 5.823 9.035 1.00 0.27 C ATOM 659 ND1 HIS A 43 -3.202 4.697 9.612 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.660 6.308 9.946 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.770 4.541 10.824 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.668 5.498 11.078 1.00 0.31 N ATOM 0 H HIS A 43 -3.313 6.880 5.288 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.347 4.566 6.675 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.406 5.973 7.401 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.466 7.356 7.586 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.271 7.188 9.808 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.529 3.740 11.507 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -5.235 5.610 11.918 1.00 0.31 H new ATOM 670 N SER A 44 -6.207 7.277 6.707 1.00 0.15 N ATOM 671 CA SER A 44 -7.597 7.737 7.005 1.00 0.15 C ATOM 672 C SER A 44 -8.620 6.910 6.216 1.00 0.13 C ATOM 673 O SER A 44 -9.687 6.596 6.703 1.00 0.15 O ATOM 674 CB SER A 44 -7.753 9.214 6.638 1.00 0.18 C ATOM 675 OG SER A 44 -6.854 9.990 7.421 1.00 0.22 O ATOM 0 H SER A 44 -5.596 7.986 6.302 1.00 0.15 H new ATOM 0 HA SER A 44 -7.778 7.605 8.072 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.549 9.361 5.577 1.00 0.18 H new ATOM 0 HB3 SER A 44 -8.779 9.538 6.813 1.00 0.18 H new ATOM 0 HG SER A 44 -5.933 9.799 7.147 1.00 0.22 H new ATOM 681 N LEU A 45 -8.311 6.571 4.993 1.00 0.12 N ATOM 682 CA LEU A 45 -9.275 5.784 4.164 1.00 0.14 C ATOM 683 C LEU A 45 -9.530 4.410 4.787 1.00 0.13 C ATOM 684 O LEU A 45 -10.547 3.795 4.541 1.00 0.15 O ATOM 685 CB LEU A 45 -8.709 5.611 2.750 1.00 0.16 C ATOM 686 CG LEU A 45 -8.808 6.940 1.970 1.00 0.18 C ATOM 687 CD1 LEU A 45 -7.809 6.937 0.810 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.220 7.117 1.396 1.00 0.22 C ATOM 0 H LEU A 45 -7.432 6.804 4.530 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.220 6.325 4.120 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.669 5.289 2.804 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.258 4.830 2.224 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.585 7.758 2.656 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -7.883 7.877 0.263 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.798 6.824 1.201 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -8.033 6.108 0.139 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.275 8.058 0.849 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.445 6.291 0.721 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -10.945 7.128 2.210 1.00 0.22 H new ATOM 700 N SER A 46 -8.617 3.907 5.569 1.00 0.12 N ATOM 701 CA SER A 46 -8.826 2.558 6.172 1.00 0.12 C ATOM 702 C SER A 46 -10.171 2.545 6.889 1.00 0.14 C ATOM 703 O SER A 46 -10.872 1.552 6.894 1.00 0.16 O ATOM 704 CB SER A 46 -7.716 2.265 7.179 1.00 0.13 C ATOM 705 OG SER A 46 -6.458 2.324 6.520 1.00 0.14 O ATOM 0 H SER A 46 -7.740 4.366 5.817 1.00 0.12 H new ATOM 0 HA SER A 46 -8.809 1.799 5.389 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.747 2.989 7.993 1.00 0.13 H new ATOM 0 HB3 SER A 46 -7.862 1.280 7.622 1.00 0.13 H new ATOM 0 HG SER A 46 -6.543 1.950 5.618 1.00 0.14 H new ATOM 711 N GLU A 47 -10.544 3.633 7.499 1.00 0.15 N ATOM 712 CA GLU A 47 -11.855 3.676 8.200 1.00 0.18 C ATOM 713 C GLU A 47 -12.938 4.040 7.187 1.00 0.18 C ATOM 714 O GLU A 47 -14.113 3.859 7.432 1.00 0.21 O ATOM 715 CB GLU A 47 -11.810 4.732 9.308 1.00 0.22 C ATOM 716 CG GLU A 47 -10.884 4.257 10.430 1.00 0.23 C ATOM 717 CD GLU A 47 -9.432 4.323 9.955 1.00 1.34 C ATOM 718 OE1 GLU A 47 -9.157 5.107 9.063 1.00 2.16 O ATOM 719 OE2 GLU A 47 -8.620 3.584 10.487 1.00 2.05 O ATOM 0 H GLU A 47 -9.998 4.494 7.543 1.00 0.15 H new ATOM 0 HA GLU A 47 -12.073 2.705 8.644 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.455 5.681 8.906 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -12.812 4.907 9.699 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -11.017 4.880 11.314 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -11.138 3.237 10.718 1.00 0.23 H new ATOM 726 N LYS A 48 -12.557 4.552 6.039 1.00 0.17 N ATOM 727 CA LYS A 48 -13.586 4.897 5.021 1.00 0.19 C ATOM 728 C LYS A 48 -13.994 3.607 4.333 1.00 0.18 C ATOM 729 O LYS A 48 -15.150 3.381 4.039 1.00 0.21 O ATOM 730 CB LYS A 48 -13.033 5.886 3.992 1.00 0.20 C ATOM 731 CG LYS A 48 -14.174 6.316 3.063 1.00 0.30 C ATOM 732 CD LYS A 48 -13.639 7.229 1.962 1.00 0.82 C ATOM 733 CE LYS A 48 -14.805 7.728 1.108 1.00 1.03 C ATOM 734 NZ LYS A 48 -14.300 8.701 0.099 1.00 1.78 N ATOM 0 H LYS A 48 -11.591 4.741 5.771 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.441 5.372 5.502 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.606 6.754 4.494 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.231 5.424 3.417 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -14.644 5.437 2.621 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -14.943 6.835 3.635 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -13.107 8.073 2.400 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -12.924 6.689 1.342 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -15.290 6.889 0.609 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -15.557 8.200 1.740 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -15.092 9.041 -0.482 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -13.857 9.506 0.585 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -13.598 8.236 -0.511 1.00 1.78 H new ATOM 748 N TYR A 49 -13.041 2.737 4.116 1.00 0.16 N ATOM 749 CA TYR A 49 -13.334 1.412 3.491 1.00 0.17 C ATOM 750 C TYR A 49 -12.827 0.338 4.445 1.00 0.16 C ATOM 751 O TYR A 49 -11.873 -0.364 4.172 1.00 0.16 O ATOM 752 CB TYR A 49 -12.619 1.295 2.138 1.00 0.17 C ATOM 753 CG TYR A 49 -13.177 2.327 1.183 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.476 2.178 0.680 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.403 3.432 0.807 1.00 0.19 C ATOM 756 CE1 TYR A 49 -15.000 3.133 -0.199 1.00 0.25 C ATOM 757 CE2 TYR A 49 -12.929 4.387 -0.073 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.228 4.238 -0.575 1.00 0.21 C ATOM 759 OH TYR A 49 -14.746 5.179 -1.443 1.00 0.25 O ATOM 0 H TYR A 49 -12.060 2.891 4.348 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.404 1.298 3.316 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.547 1.445 2.267 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -12.754 0.294 1.728 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -15.073 1.326 0.970 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.402 3.548 1.195 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -16.001 3.017 -0.587 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.332 5.239 -0.364 1.00 0.20 H new ATOM 0 HH TYR A 49 -14.193 5.987 -1.417 1.00 0.25 H new ATOM 769 N SER A 50 -13.480 0.209 5.569 1.00 0.17 N ATOM 770 CA SER A 50 -13.075 -0.805 6.573 1.00 0.18 C ATOM 771 C SER A 50 -13.300 -2.189 5.975 1.00 0.19 C ATOM 772 O SER A 50 -12.813 -3.185 6.469 1.00 0.21 O ATOM 773 CB SER A 50 -13.921 -0.628 7.830 1.00 0.20 C ATOM 774 OG SER A 50 -15.252 -1.057 7.567 1.00 0.22 O ATOM 0 H SER A 50 -14.287 0.773 5.833 1.00 0.17 H new ATOM 0 HA SER A 50 -12.024 -0.688 6.837 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.497 -1.205 8.652 1.00 0.20 H new ATOM 0 HB3 SER A 50 -13.918 0.417 8.140 1.00 0.20 H new ATOM 0 HG SER A 50 -15.797 -0.946 8.374 1.00 0.22 H new ATOM 780 N ASN A 51 -14.021 -2.242 4.889 1.00 0.20 N ATOM 781 CA ASN A 51 -14.276 -3.543 4.218 1.00 0.23 C ATOM 782 C ASN A 51 -13.073 -3.876 3.347 1.00 0.19 C ATOM 783 O ASN A 51 -12.989 -4.934 2.753 1.00 0.22 O ATOM 784 CB ASN A 51 -15.530 -3.438 3.350 1.00 0.32 C ATOM 785 CG ASN A 51 -15.929 -4.830 2.858 1.00 0.54 C ATOM 786 OD1 ASN A 51 -16.308 -5.681 3.639 1.00 1.13 O ATOM 787 ND2 ASN A 51 -15.855 -5.097 1.583 1.00 0.27 N ATOM 0 H ASN A 51 -14.446 -1.433 4.436 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.429 -4.326 4.961 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.345 -2.996 3.923 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.343 -2.780 2.501 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.115 -6.021 1.240 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -15.537 -4.381 0.930 1.00 0.27 H new ATOM 794 N VAL A 52 -12.129 -2.974 3.290 1.00 0.21 N ATOM 795 CA VAL A 52 -10.892 -3.191 2.497 1.00 0.17 C ATOM 796 C VAL A 52 -9.716 -3.159 3.466 1.00 0.13 C ATOM 797 O VAL A 52 -9.716 -2.404 4.419 1.00 0.14 O ATOM 798 CB VAL A 52 -10.751 -2.081 1.448 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.342 -2.116 0.827 1.00 0.19 C ATOM 800 CG2 VAL A 52 -11.809 -2.290 0.356 1.00 0.24 C ATOM 0 H VAL A 52 -12.169 -2.076 3.773 1.00 0.21 H new ATOM 0 HA VAL A 52 -10.925 -4.148 1.975 1.00 0.17 H new ATOM 0 HB VAL A 52 -10.898 -1.110 1.922 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -9.252 -1.324 0.084 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.596 -1.967 1.608 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.179 -3.082 0.349 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -11.717 -1.505 -0.395 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -11.659 -3.262 -0.114 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -12.803 -2.252 0.801 1.00 0.24 H new ATOM 810 N ILE A 53 -8.733 -3.995 3.266 1.00 0.11 N ATOM 811 CA ILE A 53 -7.578 -4.027 4.220 1.00 0.09 C ATOM 812 C ILE A 53 -6.413 -3.198 3.656 1.00 0.09 C ATOM 813 O ILE A 53 -5.932 -3.449 2.572 1.00 0.12 O ATOM 814 CB ILE A 53 -7.130 -5.483 4.396 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.351 -6.366 4.716 1.00 0.13 C ATOM 816 CG2 ILE A 53 -6.112 -5.584 5.542 1.00 0.13 C ATOM 817 CD1 ILE A 53 -9.138 -5.795 5.903 1.00 0.15 C ATOM 0 H ILE A 53 -8.676 -4.654 2.490 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.880 -3.607 5.180 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.665 -5.825 3.472 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -8.998 -6.431 3.841 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -8.023 -7.380 4.945 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.799 -6.621 5.660 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.243 -4.967 5.313 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.570 -5.236 6.468 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -9.996 -6.434 6.112 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.493 -5.754 6.781 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.484 -4.790 5.660 1.00 0.15 H new ATOM 829 N PHE A 54 -5.963 -2.206 4.389 1.00 0.08 N ATOM 830 CA PHE A 54 -4.829 -1.345 3.902 1.00 0.09 C ATOM 831 C PHE A 54 -3.514 -1.762 4.573 1.00 0.09 C ATOM 832 O PHE A 54 -3.447 -1.905 5.778 1.00 0.12 O ATOM 833 CB PHE A 54 -5.101 0.114 4.282 1.00 0.10 C ATOM 834 CG PHE A 54 -6.259 0.652 3.481 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.560 0.242 3.777 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.031 1.569 2.447 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.636 0.746 3.039 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.107 2.073 1.708 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.410 1.660 2.005 1.00 0.10 C ATOM 0 H PHE A 54 -6.331 -1.953 5.306 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.750 -1.461 2.821 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.322 0.185 5.347 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.212 0.717 4.100 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.736 -0.464 4.575 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.024 1.887 2.220 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.643 0.429 3.268 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -6.932 2.779 0.910 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.242 2.047 1.435 1.00 0.10 H new ATOM 849 N LEU A 55 -2.460 -1.945 3.802 1.00 0.09 N ATOM 850 CA LEU A 55 -1.127 -2.322 4.393 1.00 0.11 C ATOM 851 C LEU A 55 -0.124 -1.207 4.122 1.00 0.10 C ATOM 852 O LEU A 55 -0.085 -0.639 3.048 1.00 0.10 O ATOM 853 CB LEU A 55 -0.560 -3.627 3.791 1.00 0.12 C ATOM 854 CG LEU A 55 -1.345 -4.861 4.271 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.836 -4.737 3.933 1.00 0.20 C ATOM 856 CD2 LEU A 55 -0.752 -6.129 3.633 1.00 0.22 C ATOM 0 H LEU A 55 -2.466 -1.849 2.787 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.283 -2.475 5.461 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.597 -3.572 2.703 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.489 -3.731 4.070 1.00 0.12 H new ATOM 0 HG LEU A 55 -1.257 -4.928 5.355 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.364 -5.624 4.285 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -3.247 -3.853 4.420 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -2.958 -4.646 2.854 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.309 -7.002 3.974 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -0.820 -6.056 2.548 1.00 0.22 H new ATOM 0 HD23 LEU A 55 0.293 -6.229 3.925 1.00 0.22 H new ATOM 868 N GLU A 56 0.714 -0.925 5.080 1.00 0.12 N ATOM 869 CA GLU A 56 1.764 0.121 4.901 1.00 0.13 C ATOM 870 C GLU A 56 3.104 -0.604 4.840 1.00 0.13 C ATOM 871 O GLU A 56 3.386 -1.452 5.665 1.00 0.14 O ATOM 872 CB GLU A 56 1.733 1.078 6.095 1.00 0.15 C ATOM 873 CG GLU A 56 2.627 2.286 5.816 1.00 0.17 C ATOM 874 CD GLU A 56 2.680 3.170 7.064 1.00 0.20 C ATOM 875 OE1 GLU A 56 1.638 3.677 7.455 1.00 1.13 O ATOM 876 OE2 GLU A 56 3.760 3.321 7.611 1.00 1.05 O ATOM 0 H GLU A 56 0.717 -1.380 5.993 1.00 0.12 H new ATOM 0 HA GLU A 56 1.600 0.702 3.994 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.711 1.407 6.283 1.00 0.15 H new ATOM 0 HB3 GLU A 56 2.072 0.563 6.994 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.630 1.957 5.546 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.239 2.853 4.970 1.00 0.17 H new ATOM 883 N VAL A 57 3.917 -0.319 3.853 1.00 0.12 N ATOM 884 CA VAL A 57 5.226 -1.038 3.719 1.00 0.12 C ATOM 885 C VAL A 57 6.377 -0.042 3.585 1.00 0.11 C ATOM 886 O VAL A 57 6.306 0.919 2.844 1.00 0.13 O ATOM 887 CB VAL A 57 5.171 -1.923 2.481 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.447 -2.756 2.389 1.00 0.15 C ATOM 889 CG2 VAL A 57 3.960 -2.843 2.593 1.00 0.14 C ATOM 0 H VAL A 57 3.733 0.380 3.133 1.00 0.12 H new ATOM 0 HA VAL A 57 5.397 -1.642 4.610 1.00 0.12 H new ATOM 0 HB VAL A 57 5.087 -1.307 1.585 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.405 -3.389 1.502 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.310 -2.094 2.322 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.538 -3.382 3.277 1.00 0.15 H new ATOM 0 HG21 VAL A 57 3.907 -3.484 1.713 1.00 0.14 H new ATOM 0 HG22 VAL A 57 4.054 -3.461 3.486 1.00 0.14 H new ATOM 0 HG23 VAL A 57 3.052 -2.243 2.660 1.00 0.14 H new ATOM 899 N ASP A 58 7.442 -0.280 4.301 1.00 0.10 N ATOM 900 CA ASP A 58 8.624 0.619 4.248 1.00 0.09 C ATOM 901 C ASP A 58 9.644 0.032 3.276 1.00 0.09 C ATOM 902 O ASP A 58 10.148 -1.055 3.484 1.00 0.09 O ATOM 903 CB ASP A 58 9.242 0.672 5.641 1.00 0.10 C ATOM 904 CG ASP A 58 10.290 1.785 5.703 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.655 2.287 4.653 1.00 1.02 O ATOM 906 OD2 ASP A 58 10.703 2.117 6.800 1.00 1.05 O ATOM 0 H ASP A 58 7.542 -1.075 4.932 1.00 0.10 H new ATOM 0 HA ASP A 58 8.333 1.617 3.921 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.466 0.849 6.386 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.702 -0.287 5.881 1.00 0.10 H new ATOM 911 N VAL A 59 9.987 0.737 2.239 1.00 0.09 N ATOM 912 CA VAL A 59 10.999 0.186 1.303 1.00 0.10 C ATOM 913 C VAL A 59 12.346 0.161 2.018 1.00 0.11 C ATOM 914 O VAL A 59 13.273 -0.506 1.600 1.00 0.12 O ATOM 915 CB VAL A 59 11.098 1.074 0.063 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.775 1.039 -0.703 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.398 2.510 0.492 1.00 0.16 C ATOM 0 H VAL A 59 9.617 1.657 2.001 1.00 0.09 H new ATOM 0 HA VAL A 59 10.713 -0.819 0.994 1.00 0.10 H new ATOM 0 HB VAL A 59 11.898 0.708 -0.581 1.00 0.12 H new ATOM 0 HG11 VAL A 59 9.849 1.673 -1.586 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.558 0.015 -1.008 1.00 0.14 H new ATOM 0 HG13 VAL A 59 8.973 1.404 -0.061 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.469 3.146 -0.390 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.597 2.872 1.137 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.342 2.537 1.036 1.00 0.16 H new ATOM 927 N ASP A 60 12.469 0.906 3.091 1.00 0.10 N ATOM 928 CA ASP A 60 13.764 0.948 3.837 1.00 0.12 C ATOM 929 C ASP A 60 13.793 -0.058 5.000 1.00 0.13 C ATOM 930 O ASP A 60 14.792 -0.713 5.218 1.00 0.15 O ATOM 931 CB ASP A 60 13.972 2.371 4.362 1.00 0.14 C ATOM 932 CG ASP A 60 14.499 3.260 3.231 1.00 0.16 C ATOM 933 OD1 ASP A 60 13.690 3.773 2.476 1.00 1.08 O ATOM 934 OD2 ASP A 60 15.707 3.405 3.136 1.00 1.07 O ATOM 0 H ASP A 60 11.727 1.487 3.481 1.00 0.10 H new ATOM 0 HA ASP A 60 14.569 0.668 3.158 1.00 0.12 H new ATOM 0 HB2 ASP A 60 13.033 2.770 4.745 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.678 2.364 5.193 1.00 0.14 H new ATOM 939 N ASP A 61 12.722 -0.207 5.742 1.00 0.13 N ATOM 940 CA ASP A 61 12.733 -1.196 6.877 1.00 0.15 C ATOM 941 C ASP A 61 12.100 -2.494 6.387 1.00 0.14 C ATOM 942 O ASP A 61 12.249 -3.543 6.985 1.00 0.19 O ATOM 943 CB ASP A 61 11.938 -0.652 8.071 1.00 0.16 C ATOM 944 CG ASP A 61 12.567 0.657 8.549 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.604 1.022 8.017 1.00 1.07 O ATOM 946 OD2 ASP A 61 12.005 1.270 9.443 1.00 1.01 O ATOM 0 H ASP A 61 11.848 0.305 5.617 1.00 0.13 H new ATOM 0 HA ASP A 61 13.759 -1.371 7.201 1.00 0.15 H new ATOM 0 HB2 ASP A 61 10.900 -0.485 7.785 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.932 -1.382 8.881 1.00 0.16 H new ATOM 951 N ALA A 62 11.396 -2.421 5.288 1.00 0.11 N ATOM 952 CA ALA A 62 10.735 -3.625 4.703 1.00 0.12 C ATOM 953 C ALA A 62 11.221 -3.778 3.260 1.00 0.11 C ATOM 954 O ALA A 62 10.465 -4.087 2.361 1.00 0.12 O ATOM 955 CB ALA A 62 9.208 -3.438 4.744 1.00 0.14 C ATOM 0 H ALA A 62 11.249 -1.560 4.761 1.00 0.11 H new ATOM 0 HA ALA A 62 10.986 -4.521 5.271 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.722 -4.316 4.317 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.885 -3.311 5.777 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.934 -2.555 4.167 1.00 0.14 H new ATOM 961 N GLN A 63 12.482 -3.533 3.040 1.00 0.11 N ATOM 962 CA GLN A 63 13.045 -3.627 1.664 1.00 0.12 C ATOM 963 C GLN A 63 12.867 -5.039 1.117 1.00 0.12 C ATOM 964 O GLN A 63 12.834 -5.242 -0.076 1.00 0.14 O ATOM 965 CB GLN A 63 14.534 -3.280 1.701 1.00 0.13 C ATOM 966 CG GLN A 63 15.296 -4.350 2.485 1.00 0.15 C ATOM 967 CD GLN A 63 16.713 -3.853 2.768 1.00 0.77 C ATOM 968 OE1 GLN A 63 17.273 -3.107 1.991 1.00 1.47 O ATOM 969 NE2 GLN A 63 17.321 -4.232 3.858 1.00 1.43 N ATOM 0 H GLN A 63 13.153 -3.269 3.761 1.00 0.11 H new ATOM 0 HA GLN A 63 12.518 -2.927 1.016 1.00 0.12 H new ATOM 0 HB2 GLN A 63 14.926 -3.211 0.686 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.678 -2.304 2.165 1.00 0.13 H new ATOM 0 HG2 GLN A 63 14.781 -4.568 3.420 1.00 0.15 H new ATOM 0 HG3 GLN A 63 15.331 -5.279 1.916 1.00 0.15 H new ATOM 0 HE21 GLN A 63 16.852 -4.859 4.512 1.00 1.43 H new ATOM 0 HE22 GLN A 63 18.265 -3.902 4.056 1.00 1.43 H new ATOM 978 N ASP A 64 12.753 -6.020 1.963 1.00 0.13 N ATOM 979 CA ASP A 64 12.576 -7.398 1.450 1.00 0.13 C ATOM 980 C ASP A 64 11.254 -7.473 0.693 1.00 0.15 C ATOM 981 O ASP A 64 11.145 -8.130 -0.323 1.00 0.16 O ATOM 982 CB ASP A 64 12.584 -8.393 2.615 1.00 0.17 C ATOM 983 CG ASP A 64 11.614 -7.938 3.705 1.00 0.21 C ATOM 984 OD1 ASP A 64 10.458 -7.727 3.392 1.00 1.05 O ATOM 985 OD2 ASP A 64 12.047 -7.816 4.839 1.00 1.02 O ATOM 0 H ASP A 64 12.775 -5.927 2.979 1.00 0.13 H new ATOM 0 HA ASP A 64 13.394 -7.654 0.777 1.00 0.13 H new ATOM 0 HB2 ASP A 64 12.303 -9.384 2.258 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.590 -8.476 3.025 1.00 0.17 H new ATOM 990 N VAL A 65 10.249 -6.792 1.170 1.00 0.17 N ATOM 991 CA VAL A 65 8.939 -6.822 0.470 1.00 0.22 C ATOM 992 C VAL A 65 9.046 -6.056 -0.854 1.00 0.22 C ATOM 993 O VAL A 65 8.546 -6.481 -1.876 1.00 0.26 O ATOM 994 CB VAL A 65 7.882 -6.124 1.338 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.489 -6.433 0.790 1.00 0.35 C ATOM 996 CG2 VAL A 65 7.995 -6.598 2.792 1.00 0.32 C ATOM 0 H VAL A 65 10.280 -6.218 2.013 1.00 0.17 H new ATOM 0 HA VAL A 65 8.659 -7.859 0.286 1.00 0.22 H new ATOM 0 HB VAL A 65 8.048 -5.047 1.311 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.738 -5.938 1.405 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.413 -6.072 -0.236 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.321 -7.510 0.809 1.00 0.35 H new ATOM 0 HG21 VAL A 65 7.241 -6.096 3.398 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.838 -7.676 2.837 1.00 0.32 H new ATOM 0 HG23 VAL A 65 8.987 -6.359 3.176 1.00 0.32 H new ATOM 1006 N ALA A 66 9.675 -4.910 -0.826 1.00 0.19 N ATOM 1007 CA ALA A 66 9.796 -4.085 -2.064 1.00 0.22 C ATOM 1008 C ALA A 66 10.794 -4.706 -3.048 1.00 0.23 C ATOM 1009 O ALA A 66 10.606 -4.656 -4.248 1.00 0.26 O ATOM 1010 CB ALA A 66 10.243 -2.666 -1.686 1.00 0.25 C ATOM 0 H ALA A 66 10.111 -4.509 0.004 1.00 0.19 H new ATOM 0 HA ALA A 66 8.823 -4.047 -2.554 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.333 -2.060 -2.588 1.00 0.25 H new ATOM 0 HB2 ALA A 66 9.506 -2.218 -1.020 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.208 -2.711 -1.182 1.00 0.25 H new ATOM 1016 N SER A 67 11.862 -5.271 -2.560 1.00 0.21 N ATOM 1017 CA SER A 67 12.864 -5.870 -3.488 1.00 0.23 C ATOM 1018 C SER A 67 12.201 -6.978 -4.312 1.00 0.23 C ATOM 1019 O SER A 67 12.497 -7.159 -5.476 1.00 0.24 O ATOM 1020 CB SER A 67 14.021 -6.452 -2.676 1.00 0.23 C ATOM 1021 OG SER A 67 13.535 -7.509 -1.859 1.00 0.22 O ATOM 0 H SER A 67 12.085 -5.345 -1.567 1.00 0.21 H new ATOM 0 HA SER A 67 13.244 -5.102 -4.161 1.00 0.23 H new ATOM 0 HB2 SER A 67 14.800 -6.821 -3.343 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.473 -5.677 -2.057 1.00 0.23 H new ATOM 0 HG SER A 67 12.633 -7.290 -1.543 1.00 0.22 H new ATOM 1027 N GLU A 68 11.295 -7.706 -3.723 1.00 0.23 N ATOM 1028 CA GLU A 68 10.601 -8.788 -4.478 1.00 0.25 C ATOM 1029 C GLU A 68 9.795 -8.166 -5.622 1.00 0.22 C ATOM 1030 O GLU A 68 9.676 -8.729 -6.692 1.00 0.24 O ATOM 1031 CB GLU A 68 9.661 -9.552 -3.535 1.00 0.29 C ATOM 1032 CG GLU A 68 9.098 -10.795 -4.242 1.00 0.32 C ATOM 1033 CD GLU A 68 8.040 -10.382 -5.270 1.00 1.27 C ATOM 1034 OE1 GLU A 68 7.491 -9.302 -5.127 1.00 1.96 O ATOM 1035 OE2 GLU A 68 7.794 -11.157 -6.180 1.00 2.06 O ATOM 0 H GLU A 68 11.004 -7.599 -2.751 1.00 0.23 H new ATOM 0 HA GLU A 68 11.337 -9.481 -4.886 1.00 0.25 H new ATOM 0 HB2 GLU A 68 10.199 -9.849 -2.635 1.00 0.29 H new ATOM 0 HB3 GLU A 68 8.844 -8.903 -3.219 1.00 0.29 H new ATOM 0 HG2 GLU A 68 9.904 -11.338 -4.736 1.00 0.32 H new ATOM 0 HG3 GLU A 68 8.659 -11.472 -3.509 1.00 0.32 H new ATOM 1042 N ALA A 69 9.214 -7.016 -5.392 1.00 0.20 N ATOM 1043 CA ALA A 69 8.390 -6.359 -6.452 1.00 0.20 C ATOM 1044 C ALA A 69 9.259 -5.465 -7.344 1.00 0.19 C ATOM 1045 O ALA A 69 8.774 -4.869 -8.284 1.00 0.20 O ATOM 1046 CB ALA A 69 7.303 -5.509 -5.792 1.00 0.23 C ATOM 0 H ALA A 69 9.275 -6.502 -4.513 1.00 0.20 H new ATOM 0 HA ALA A 69 7.938 -7.134 -7.071 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.700 -5.028 -6.562 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.667 -6.145 -5.177 1.00 0.23 H new ATOM 0 HB3 ALA A 69 7.767 -4.747 -5.166 1.00 0.23 H new ATOM 1052 N GLU A 70 10.527 -5.355 -7.060 1.00 0.18 N ATOM 1053 CA GLU A 70 11.409 -4.493 -7.902 1.00 0.18 C ATOM 1054 C GLU A 70 10.842 -3.078 -7.966 1.00 0.17 C ATOM 1055 O GLU A 70 10.715 -2.507 -9.031 1.00 0.18 O ATOM 1056 CB GLU A 70 11.505 -5.042 -9.328 1.00 0.22 C ATOM 1057 CG GLU A 70 12.108 -6.441 -9.312 1.00 0.24 C ATOM 1058 CD GLU A 70 13.558 -6.378 -8.823 1.00 1.24 C ATOM 1059 OE1 GLU A 70 14.124 -5.298 -8.848 1.00 2.02 O ATOM 1060 OE2 GLU A 70 14.077 -7.412 -8.434 1.00 2.02 O ATOM 0 H GLU A 70 10.992 -5.823 -6.282 1.00 0.18 H new ATOM 0 HA GLU A 70 12.401 -4.484 -7.450 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.515 -5.070 -9.783 1.00 0.22 H new ATOM 0 HB3 GLU A 70 12.118 -4.380 -9.940 1.00 0.22 H new ATOM 0 HG2 GLU A 70 11.523 -7.091 -8.661 1.00 0.24 H new ATOM 0 HG3 GLU A 70 12.071 -6.874 -10.312 1.00 0.24 H new ATOM 1067 N VAL A 71 10.498 -2.497 -6.853 1.00 0.15 N ATOM 1068 CA VAL A 71 9.934 -1.124 -6.913 1.00 0.14 C ATOM 1069 C VAL A 71 11.006 -0.186 -7.451 1.00 0.14 C ATOM 1070 O VAL A 71 12.152 -0.231 -7.047 1.00 0.16 O ATOM 1071 CB VAL A 71 9.513 -0.659 -5.522 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.792 0.686 -5.652 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.569 -1.691 -4.896 1.00 0.15 C ATOM 0 H VAL A 71 10.581 -2.904 -5.921 1.00 0.15 H new ATOM 0 HA VAL A 71 9.058 -1.120 -7.562 1.00 0.14 H new ATOM 0 HB VAL A 71 10.391 -0.551 -4.885 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.485 1.031 -4.665 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.465 1.418 -6.099 1.00 0.14 H new ATOM 0 HG13 VAL A 71 7.912 0.568 -6.285 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.270 -1.356 -3.903 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.684 -1.802 -5.523 1.00 0.15 H new ATOM 0 HG23 VAL A 71 9.080 -2.651 -4.817 1.00 0.15 H new ATOM 1083 N LYS A 72 10.644 0.642 -8.394 1.00 0.15 N ATOM 1084 CA LYS A 72 11.629 1.571 -9.006 1.00 0.16 C ATOM 1085 C LYS A 72 11.402 2.999 -8.478 1.00 0.15 C ATOM 1086 O LYS A 72 12.226 3.872 -8.669 1.00 0.16 O ATOM 1087 CB LYS A 72 11.430 1.537 -10.524 1.00 0.19 C ATOM 1088 CG LYS A 72 11.653 0.102 -11.060 1.00 0.23 C ATOM 1089 CD LYS A 72 13.147 -0.183 -11.238 1.00 0.74 C ATOM 1090 CE LYS A 72 13.314 -1.542 -11.927 1.00 0.88 C ATOM 1091 NZ LYS A 72 14.762 -1.852 -12.084 1.00 1.60 N ATOM 0 H LYS A 72 9.698 0.713 -8.768 1.00 0.15 H new ATOM 0 HA LYS A 72 12.645 1.268 -8.751 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.424 1.874 -10.774 1.00 0.19 H new ATOM 0 HB3 LYS A 72 12.125 2.225 -11.005 1.00 0.19 H new ATOM 0 HG2 LYS A 72 11.220 -0.621 -10.369 1.00 0.23 H new ATOM 0 HG3 LYS A 72 11.138 -0.020 -12.013 1.00 0.23 H new ATOM 0 HD2 LYS A 72 13.612 0.602 -11.835 1.00 0.74 H new ATOM 0 HD3 LYS A 72 13.648 -0.187 -10.270 1.00 0.74 H new ATOM 0 HE2 LYS A 72 12.827 -2.320 -11.339 1.00 0.88 H new ATOM 0 HE3 LYS A 72 12.828 -1.528 -12.902 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 14.871 -2.775 -12.552 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 15.214 -1.115 -12.662 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 15.214 -1.883 -11.148 1.00 1.60 H new ATOM 1105 N ALA A 73 10.296 3.250 -7.815 1.00 0.13 N ATOM 1106 CA ALA A 73 10.046 4.629 -7.288 1.00 0.13 C ATOM 1107 C ALA A 73 8.953 4.621 -6.202 1.00 0.11 C ATOM 1108 O ALA A 73 8.100 3.757 -6.167 1.00 0.12 O ATOM 1109 CB ALA A 73 9.610 5.540 -8.445 1.00 0.14 C ATOM 0 H ALA A 73 9.564 2.567 -7.618 1.00 0.13 H new ATOM 0 HA ALA A 73 10.968 5.001 -6.841 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.427 6.546 -8.067 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.397 5.573 -9.198 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.696 5.148 -8.892 1.00 0.14 H new ATOM 1115 N THR A 74 8.969 5.611 -5.338 1.00 0.11 N ATOM 1116 CA THR A 74 7.936 5.724 -4.255 1.00 0.11 C ATOM 1117 C THR A 74 7.358 7.153 -4.300 1.00 0.12 C ATOM 1118 O THR A 74 8.031 8.057 -4.739 1.00 0.15 O ATOM 1119 CB THR A 74 8.620 5.492 -2.891 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.462 6.590 -2.593 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.447 4.212 -2.937 1.00 0.14 C ATOM 0 H THR A 74 9.665 6.357 -5.338 1.00 0.11 H new ATOM 0 HA THR A 74 7.143 4.989 -4.394 1.00 0.11 H new ATOM 0 HB THR A 74 7.857 5.397 -2.118 1.00 0.12 H new ATOM 0 HG1 THR A 74 9.895 6.444 -1.726 1.00 0.15 H new ATOM 0 HG21 THR A 74 9.927 4.054 -1.971 1.00 0.14 H new ATOM 0 HG22 THR A 74 8.797 3.367 -3.161 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.209 4.299 -3.711 1.00 0.14 H new ATOM 1129 N PRO A 75 6.149 7.388 -3.823 1.00 0.13 N ATOM 1130 CA PRO A 75 5.258 6.329 -3.263 1.00 0.10 C ATOM 1131 C PRO A 75 4.613 5.466 -4.349 1.00 0.09 C ATOM 1132 O PRO A 75 4.197 5.954 -5.382 1.00 0.10 O ATOM 1133 CB PRO A 75 4.203 7.169 -2.522 1.00 0.12 C ATOM 1134 CG PRO A 75 4.228 8.581 -3.127 1.00 0.15 C ATOM 1135 CD PRO A 75 5.589 8.770 -3.823 1.00 0.16 C ATOM 0 HA PRO A 75 5.788 5.612 -2.637 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.214 6.724 -2.629 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.422 7.205 -1.455 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.413 8.706 -3.840 1.00 0.15 H new ATOM 0 HG3 PRO A 75 4.089 9.332 -2.350 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.476 9.162 -4.834 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.228 9.466 -3.281 1.00 0.16 H new ATOM 1143 N THR A 76 4.493 4.190 -4.093 1.00 0.09 N ATOM 1144 CA THR A 76 3.839 3.268 -5.073 1.00 0.09 C ATOM 1145 C THR A 76 2.748 2.491 -4.354 1.00 0.10 C ATOM 1146 O THR A 76 2.919 2.042 -3.236 1.00 0.12 O ATOM 1147 CB THR A 76 4.863 2.291 -5.659 1.00 0.10 C ATOM 1148 OG1 THR A 76 5.883 3.021 -6.322 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.174 1.338 -6.650 1.00 0.13 C ATOM 0 H THR A 76 4.823 3.741 -3.239 1.00 0.09 H new ATOM 0 HA THR A 76 3.414 3.852 -5.890 1.00 0.09 H new ATOM 0 HB THR A 76 5.302 1.703 -4.853 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.647 3.137 -5.719 1.00 0.11 H new ATOM 0 HG21 THR A 76 4.910 0.647 -7.062 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.397 0.775 -6.133 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.726 1.916 -7.459 1.00 0.13 H new ATOM 1157 N PHE A 77 1.623 2.348 -4.986 1.00 0.10 N ATOM 1158 CA PHE A 77 0.483 1.608 -4.371 1.00 0.10 C ATOM 1159 C PHE A 77 0.233 0.337 -5.181 1.00 0.10 C ATOM 1160 O PHE A 77 0.111 0.381 -6.392 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.764 2.498 -4.417 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.496 3.769 -3.644 1.00 0.14 C ATOM 1163 CD1 PHE A 77 -0.736 3.822 -2.265 1.00 0.18 C ATOM 1164 CD2 PHE A 77 0.000 4.897 -4.314 1.00 0.14 C ATOM 1165 CE1 PHE A 77 -0.480 5.005 -1.555 1.00 0.20 C ATOM 1166 CE2 PHE A 77 0.256 6.080 -3.604 1.00 0.16 C ATOM 1167 CZ PHE A 77 0.017 6.134 -2.224 1.00 0.19 C ATOM 0 H PHE A 77 1.438 2.717 -5.919 1.00 0.10 H new ATOM 0 HA PHE A 77 0.710 1.348 -3.337 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -1.019 2.734 -5.450 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.617 1.971 -3.990 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -1.118 2.953 -1.749 1.00 0.18 H new ATOM 0 HD2 PHE A 77 0.185 4.855 -5.377 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.666 5.047 -0.492 1.00 0.20 H new ATOM 0 HE2 PHE A 77 0.637 6.948 -4.121 1.00 0.16 H new ATOM 0 HZ PHE A 77 0.215 7.043 -1.676 1.00 0.19 H new ATOM 1177 N GLN A 78 0.140 -0.797 -4.528 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.119 -2.077 -5.261 1.00 0.09 C ATOM 1179 C GLN A 78 -1.405 -2.683 -4.739 1.00 0.08 C ATOM 1180 O GLN A 78 -1.688 -2.648 -3.556 1.00 0.09 O ATOM 1181 CB GLN A 78 1.030 -3.066 -5.050 1.00 0.09 C ATOM 1182 CG GLN A 78 2.263 -2.588 -5.815 1.00 0.12 C ATOM 1183 CD GLN A 78 3.373 -3.638 -5.727 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.188 -4.687 -5.142 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.530 -3.396 -6.282 1.00 0.29 N ATOM 0 H GLN A 78 0.233 -0.891 -3.517 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.201 -1.867 -6.327 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.259 -3.152 -3.988 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.738 -4.058 -5.394 1.00 0.09 H new ATOM 0 HG2 GLN A 78 2.006 -2.405 -6.858 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.613 -1.642 -5.403 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.686 -2.516 -6.773 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.278 -4.087 -6.224 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.194 -3.225 -5.620 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.493 -3.831 -5.200 1.00 0.07 C ATOM 1196 C PHE A 79 -3.417 -5.344 -5.275 1.00 0.07 C ATOM 1197 O PHE A 79 -2.967 -5.907 -6.250 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.590 -3.315 -6.122 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.731 -1.844 -5.859 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.864 -0.941 -6.478 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.693 -1.388 -4.960 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -3.966 0.423 -6.203 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.794 -0.026 -4.678 1.00 0.14 C ATOM 1204 CZ PHE A 79 -4.932 0.884 -5.300 1.00 0.12 C ATOM 0 H PHE A 79 -1.997 -3.277 -6.620 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.713 -3.552 -4.169 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.333 -3.497 -7.166 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.530 -3.833 -5.930 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -3.115 -1.298 -7.169 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.360 -2.089 -4.482 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.300 1.123 -6.686 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.538 0.327 -3.979 1.00 0.14 H new ATOM 0 HZ PHE A 79 -5.011 1.939 -5.084 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.869 -5.998 -4.239 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.856 -7.484 -4.203 1.00 0.08 C ATOM 1216 C PHE A 80 -5.246 -7.983 -3.832 1.00 0.09 C ATOM 1217 O PHE A 80 -5.957 -7.365 -3.062 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.836 -7.972 -3.167 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.427 -7.738 -3.667 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.784 -8.734 -4.418 1.00 0.12 C ATOM 1221 CD2 PHE A 80 -0.749 -6.546 -3.363 1.00 0.11 C ATOM 1222 CE1 PHE A 80 0.530 -8.542 -4.860 1.00 0.14 C ATOM 1223 CE2 PHE A 80 0.563 -6.356 -3.813 1.00 0.13 C ATOM 1224 CZ PHE A 80 1.203 -7.353 -4.558 1.00 0.15 C ATOM 0 H PHE A 80 -4.252 -5.555 -3.404 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.575 -7.871 -5.182 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.986 -7.447 -2.224 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.988 -9.033 -2.969 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.304 -9.650 -4.655 1.00 0.12 H new ATOM 0 HD2 PHE A 80 -1.239 -5.778 -2.783 1.00 0.11 H new ATOM 0 HE1 PHE A 80 1.024 -9.312 -5.434 1.00 0.14 H new ATOM 0 HE2 PHE A 80 1.083 -5.437 -3.585 1.00 0.13 H new ATOM 0 HZ PHE A 80 2.217 -7.205 -4.900 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.643 -9.102 -4.371 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.982 -9.652 -4.046 1.00 0.12 C ATOM 1236 C LYS A 81 -6.869 -11.176 -4.100 1.00 0.11 C ATOM 1237 O LYS A 81 -6.337 -11.724 -5.041 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.986 -9.163 -5.100 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.410 -9.309 -4.566 1.00 0.26 C ATOM 1240 CD LYS A 81 -10.412 -8.926 -5.655 1.00 0.73 C ATOM 1241 CE LYS A 81 -11.813 -8.835 -5.048 1.00 1.02 C ATOM 1242 NZ LYS A 81 -12.261 -10.190 -4.627 1.00 1.68 N ATOM 0 H LYS A 81 -5.093 -9.659 -5.025 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.320 -9.330 -3.061 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.787 -8.121 -5.349 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.872 -9.738 -6.019 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.584 -10.336 -4.243 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.548 -8.673 -3.692 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -10.134 -7.971 -6.100 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -10.398 -9.667 -6.454 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -11.807 -8.160 -4.192 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -12.510 -8.420 -5.776 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -13.182 -10.401 -5.061 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -11.563 -10.897 -4.934 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -12.351 -10.220 -3.591 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.347 -11.860 -3.102 1.00 0.12 N ATOM 1257 CA LYS A 82 -7.255 -13.349 -3.109 1.00 0.13 C ATOM 1258 C LYS A 82 -5.790 -13.772 -3.277 1.00 0.13 C ATOM 1259 O LYS A 82 -5.502 -14.835 -3.790 1.00 0.17 O ATOM 1260 CB LYS A 82 -8.090 -13.931 -4.256 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.573 -13.675 -4.005 1.00 0.20 C ATOM 1262 CD LYS A 82 -10.389 -14.292 -5.140 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.862 -13.937 -4.951 1.00 0.31 C ATOM 1264 NZ LYS A 82 -12.381 -14.640 -3.746 1.00 1.22 N ATOM 0 H LYS A 82 -7.798 -11.456 -2.281 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.642 -13.729 -2.163 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.789 -13.479 -5.201 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.907 -15.002 -4.343 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.872 -14.107 -3.050 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.764 -12.604 -3.944 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -10.034 -13.922 -6.102 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -10.262 -15.375 -5.148 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -11.977 -12.859 -4.837 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -12.435 -14.227 -5.832 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -13.091 -14.043 -3.275 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -12.819 -15.539 -4.030 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -11.597 -14.829 -3.090 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.863 -12.962 -2.843 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.423 -13.336 -2.971 1.00 0.16 C ATOM 1280 C GLY A 83 -2.913 -13.069 -4.391 1.00 0.16 C ATOM 1281 O GLY A 83 -1.868 -13.558 -4.775 1.00 0.23 O ATOM 0 H GLY A 83 -5.039 -12.058 -2.405 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.830 -12.767 -2.254 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -3.294 -14.390 -2.726 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.635 -12.304 -5.180 1.00 0.12 N ATOM 1286 CA GLN A 84 -3.183 -12.015 -6.586 1.00 0.15 C ATOM 1287 C GLN A 84 -3.109 -10.504 -6.826 1.00 0.12 C ATOM 1288 O GLN A 84 -3.952 -9.761 -6.379 1.00 0.13 O ATOM 1289 CB GLN A 84 -4.186 -12.620 -7.566 1.00 0.20 C ATOM 1290 CG GLN A 84 -4.106 -14.145 -7.508 1.00 0.33 C ATOM 1291 CD GLN A 84 -5.046 -14.729 -8.561 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -4.728 -15.709 -9.206 1.00 0.95 O ATOM 1293 NE2 GLN A 84 -6.203 -14.161 -8.761 1.00 2.07 N ATOM 0 H GLN A 84 -4.517 -11.867 -4.913 1.00 0.12 H new ATOM 0 HA GLN A 84 -2.194 -12.448 -6.734 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -5.195 -12.289 -7.319 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -3.975 -12.273 -8.578 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -3.084 -14.476 -7.690 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -4.384 -14.500 -6.516 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -6.468 -13.339 -8.219 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -6.843 -14.539 -9.460 1.00 2.07 H new ATOM 1302 N LYS A 85 -2.117 -10.049 -7.554 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.994 -8.583 -7.835 1.00 0.12 C ATOM 1304 C LYS A 85 -2.972 -8.195 -8.943 1.00 0.14 C ATOM 1305 O LYS A 85 -2.992 -8.790 -10.006 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.559 -8.280 -8.276 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.361 -6.762 -8.409 1.00 0.20 C ATOM 1308 CD LYS A 85 0.975 -6.461 -9.099 1.00 0.28 C ATOM 1309 CE LYS A 85 2.143 -6.724 -8.145 1.00 1.28 C ATOM 1310 NZ LYS A 85 1.964 -5.919 -6.905 1.00 1.82 N ATOM 0 H LYS A 85 -1.387 -10.630 -7.966 1.00 0.12 H new ATOM 0 HA LYS A 85 -2.228 -8.010 -6.938 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.147 -8.685 -7.551 1.00 0.17 H new ATOM 0 HB3 LYS A 85 -0.352 -8.767 -9.229 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -1.181 -6.330 -8.983 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.382 -6.297 -7.423 1.00 0.20 H new ATOM 0 HD2 LYS A 85 1.079 -7.081 -9.990 1.00 0.28 H new ATOM 0 HD3 LYS A 85 0.994 -5.422 -9.429 1.00 0.28 H new ATOM 0 HE2 LYS A 85 2.193 -7.785 -7.898 1.00 1.28 H new ATOM 0 HE3 LYS A 85 3.085 -6.464 -8.627 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 2.884 -5.795 -6.436 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 1.571 -4.988 -7.149 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 1.312 -6.412 -6.262 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.790 -7.198 -8.694 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.785 -6.744 -9.714 1.00 0.18 C ATOM 1326 C VAL A 86 -4.597 -5.253 -10.008 1.00 0.17 C ATOM 1327 O VAL A 86 -5.435 -4.636 -10.632 1.00 0.22 O ATOM 1328 CB VAL A 86 -6.203 -6.964 -9.179 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.497 -8.462 -9.093 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.325 -6.343 -7.785 1.00 0.26 C ATOM 0 H VAL A 86 -3.809 -6.676 -7.818 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.635 -7.318 -10.629 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.918 -6.493 -9.854 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.507 -8.613 -8.712 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -6.413 -8.907 -10.085 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.781 -8.935 -8.421 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.334 -6.499 -7.404 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.607 -6.813 -7.113 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -6.121 -5.274 -7.844 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.524 -4.652 -9.564 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.356 -3.195 -9.850 1.00 0.17 C ATOM 1342 C GLY A 87 -2.029 -2.660 -9.307 1.00 0.12 C ATOM 1343 O GLY A 87 -1.465 -3.178 -8.365 1.00 0.17 O ATOM 0 H GLY A 87 -2.775 -5.092 -9.030 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -3.403 -3.028 -10.926 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.182 -2.639 -9.405 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.540 -1.609 -9.916 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.256 -0.983 -9.483 1.00 0.13 C ATOM 1349 C GLU A 88 -0.124 0.406 -10.110 1.00 0.11 C ATOM 1350 O GLU A 88 -0.373 0.591 -11.284 1.00 0.14 O ATOM 1351 CB GLU A 88 0.908 -1.898 -9.916 1.00 0.21 C ATOM 1352 CG GLU A 88 2.263 -1.159 -9.934 1.00 0.58 C ATOM 1353 CD GLU A 88 2.612 -0.632 -8.543 1.00 1.13 C ATOM 1354 OE1 GLU A 88 1.824 0.112 -7.993 1.00 1.87 O ATOM 1355 OE2 GLU A 88 3.666 -0.991 -8.048 1.00 1.93 O ATOM 0 H GLU A 88 -1.987 -1.151 -10.710 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.235 -0.868 -8.399 1.00 0.13 H new ATOM 0 HB2 GLU A 88 0.970 -2.748 -9.237 1.00 0.21 H new ATOM 0 HB3 GLU A 88 0.702 -2.298 -10.909 1.00 0.21 H new ATOM 0 HG2 GLU A 88 3.046 -1.834 -10.279 1.00 0.58 H new ATOM 0 HG3 GLU A 88 2.221 -0.331 -10.642 1.00 0.58 H new ATOM 1362 N PHE A 89 0.302 1.378 -9.343 1.00 0.10 N ATOM 1363 CA PHE A 89 0.495 2.745 -9.913 1.00 0.09 C ATOM 1364 C PHE A 89 1.369 3.583 -8.976 1.00 0.10 C ATOM 1365 O PHE A 89 1.510 3.290 -7.805 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.866 3.420 -10.150 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.441 3.994 -8.869 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -0.947 5.202 -8.362 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.484 3.334 -8.208 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.498 5.754 -7.198 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -3.033 3.882 -7.039 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.541 5.094 -6.536 1.00 0.14 C ATOM 0 H PHE A 89 0.523 1.284 -8.352 1.00 0.10 H new ATOM 0 HA PHE A 89 1.003 2.664 -10.874 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.754 4.216 -10.886 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.564 2.694 -10.568 1.00 0.11 H new ATOM 0 HD1 PHE A 89 -0.140 5.709 -8.869 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.866 2.402 -8.598 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -1.119 6.688 -6.811 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.834 3.370 -6.527 1.00 0.13 H new ATOM 0 HZ PHE A 89 -2.966 5.519 -5.639 1.00 0.14 H new ATOM 1382 N SER A 90 1.979 4.613 -9.508 1.00 0.10 N ATOM 1383 CA SER A 90 2.880 5.493 -8.697 1.00 0.10 C ATOM 1384 C SER A 90 2.479 6.951 -8.856 1.00 0.09 C ATOM 1385 O SER A 90 1.823 7.331 -9.805 1.00 0.11 O ATOM 1386 CB SER A 90 4.321 5.336 -9.175 1.00 0.11 C ATOM 1387 OG SER A 90 4.401 5.693 -10.548 1.00 0.12 O ATOM 0 H SER A 90 1.890 4.887 -10.487 1.00 0.10 H new ATOM 0 HA SER A 90 2.794 5.200 -7.651 1.00 0.10 H new ATOM 0 HB2 SER A 90 4.983 5.968 -8.584 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.653 4.307 -9.035 1.00 0.11 H new ATOM 0 HG SER A 90 5.325 5.595 -10.858 1.00 0.12 H new ATOM 1393 N GLY A 91 2.893 7.776 -7.929 1.00 0.09 N ATOM 1394 CA GLY A 91 2.571 9.233 -8.000 1.00 0.09 C ATOM 1395 C GLY A 91 1.918 9.671 -6.695 1.00 0.10 C ATOM 1396 O GLY A 91 1.140 8.947 -6.107 1.00 0.12 O ATOM 0 H GLY A 91 3.446 7.499 -7.118 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.479 9.809 -8.176 1.00 0.09 H new ATOM 0 HA3 GLY A 91 1.902 9.428 -8.838 1.00 0.09 H new ATOM 1400 N ALA A 92 2.232 10.847 -6.231 1.00 0.11 N ATOM 1401 CA ALA A 92 1.628 11.322 -4.959 1.00 0.14 C ATOM 1402 C ALA A 92 0.180 11.758 -5.208 1.00 0.13 C ATOM 1403 O ALA A 92 -0.159 12.913 -5.054 1.00 0.17 O ATOM 1404 CB ALA A 92 2.439 12.517 -4.455 1.00 0.18 C ATOM 0 H ALA A 92 2.879 11.497 -6.677 1.00 0.11 H new ATOM 0 HA ALA A 92 1.637 10.521 -4.220 1.00 0.14 H new ATOM 0 HB1 ALA A 92 2.010 12.880 -3.521 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.471 12.211 -4.285 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.414 13.313 -5.199 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.683 10.834 -5.571 1.00 0.12 N ATOM 1411 CA ASN A 93 -2.122 11.174 -5.813 1.00 0.14 C ATOM 1412 C ASN A 93 -2.986 10.363 -4.853 1.00 0.13 C ATOM 1413 O ASN A 93 -3.281 9.211 -5.095 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.493 10.825 -7.252 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.876 11.397 -7.572 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.397 11.194 -8.649 1.00 0.88 O ATOM 1417 ND2 ASN A 93 -4.507 12.094 -6.665 1.00 0.75 N ATOM 0 H ASN A 93 -0.448 9.851 -5.711 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.285 12.239 -5.649 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.751 11.231 -7.939 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.494 9.743 -7.387 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -5.436 12.466 -6.863 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -4.071 12.266 -5.759 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.389 10.942 -3.763 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.225 10.185 -2.792 1.00 0.15 C ATOM 1426 C LYS A 94 -5.623 9.906 -3.363 1.00 0.15 C ATOM 1427 O LYS A 94 -6.218 8.883 -3.081 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.357 11.015 -1.515 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.806 12.461 -1.854 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.663 13.461 -1.625 1.00 0.24 C ATOM 1431 CE LYS A 94 -4.237 14.871 -1.725 1.00 0.59 C ATOM 1432 NZ LYS A 94 -3.173 15.883 -1.466 1.00 1.06 N ATOM 0 H LYS A 94 -3.178 11.905 -3.500 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.746 9.228 -2.584 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -5.080 10.550 -0.845 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.403 11.038 -0.988 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -5.134 12.510 -2.892 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.662 12.734 -1.237 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -3.210 13.303 -0.646 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -2.877 13.317 -2.367 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -4.664 15.028 -2.716 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -5.047 14.993 -1.006 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -3.578 16.838 -1.537 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -2.785 15.742 -0.512 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -2.413 15.776 -2.168 1.00 1.06 H new ATOM 1446 N GLU A 95 -6.154 10.794 -4.160 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.512 10.565 -4.726 1.00 0.15 C ATOM 1448 C GLU A 95 -7.484 9.353 -5.657 1.00 0.15 C ATOM 1449 O GLU A 95 -8.467 8.656 -5.819 1.00 0.16 O ATOM 1450 CB GLU A 95 -7.941 11.799 -5.517 1.00 0.17 C ATOM 1451 CG GLU A 95 -7.996 13.010 -4.584 1.00 0.19 C ATOM 1452 CD GLU A 95 -9.191 12.879 -3.638 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -10.029 12.028 -3.888 1.00 1.55 O ATOM 1454 OE2 GLU A 95 -9.245 13.629 -2.678 1.00 1.61 O ATOM 0 H GLU A 95 -5.706 11.666 -4.442 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.217 10.382 -3.915 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.239 11.985 -6.330 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -8.918 11.632 -5.971 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -7.072 13.081 -4.010 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -8.081 13.927 -5.167 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.370 9.111 -6.277 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.261 7.963 -7.212 1.00 0.15 C ATOM 1463 C LYS A 96 -6.532 6.668 -6.455 1.00 0.14 C ATOM 1464 O LYS A 96 -7.106 5.734 -6.980 1.00 0.15 O ATOM 1465 CB LYS A 96 -4.846 7.941 -7.772 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.746 6.960 -8.945 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.472 7.259 -9.740 1.00 0.25 C ATOM 1468 CE LYS A 96 -3.409 6.342 -10.965 1.00 0.82 C ATOM 1469 NZ LYS A 96 -2.162 6.625 -11.730 1.00 1.45 N ATOM 0 H LYS A 96 -5.520 9.665 -6.176 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.985 8.060 -8.021 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.564 8.941 -8.102 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.144 7.654 -6.989 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.728 5.934 -8.577 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.621 7.052 -9.588 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.462 8.303 -10.053 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -2.594 7.106 -9.112 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -3.429 5.298 -10.653 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -4.282 6.502 -11.598 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -2.117 6.003 -12.563 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -2.162 7.618 -12.039 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -1.335 6.451 -11.123 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.128 6.608 -5.219 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.366 5.379 -4.424 1.00 0.13 C ATOM 1485 C LEU A 97 -7.863 5.125 -4.363 1.00 0.14 C ATOM 1486 O LEU A 97 -8.326 4.009 -4.449 1.00 0.15 O ATOM 1487 CB LEU A 97 -5.890 5.607 -2.983 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.359 5.609 -2.891 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -3.959 6.209 -1.534 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -3.801 4.163 -3.018 1.00 0.19 C ATOM 0 H LEU A 97 -5.643 7.358 -4.727 1.00 0.13 H new ATOM 0 HA LEU A 97 -5.836 4.544 -4.881 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.279 6.557 -2.616 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.293 4.827 -2.338 1.00 0.13 H new ATOM 0 HG LEU A 97 -3.943 6.203 -3.705 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -2.873 6.220 -1.447 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.339 7.228 -1.460 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.381 5.605 -0.731 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -2.713 4.185 -2.950 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.202 3.546 -2.214 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.096 3.742 -3.979 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.622 6.164 -4.208 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.098 5.984 -4.113 1.00 0.15 C ATOM 1504 C GLU A 98 -10.644 5.397 -5.407 1.00 0.16 C ATOM 1505 O GLU A 98 -11.479 4.518 -5.388 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.773 7.334 -3.850 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.287 7.137 -3.677 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.959 8.501 -3.523 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -12.248 9.492 -3.521 1.00 2.10 O ATOM 1510 OE2 GLU A 98 -14.174 8.532 -3.415 1.00 2.00 O ATOM 0 H GLU A 98 -8.292 7.127 -4.143 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.310 5.301 -3.290 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.353 7.792 -2.955 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.578 8.015 -4.678 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.698 6.612 -4.539 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.487 6.519 -2.802 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.206 5.886 -6.529 1.00 0.16 N ATOM 1518 CA ALA A 99 -10.747 5.357 -7.810 1.00 0.17 C ATOM 1519 C ALA A 99 -10.309 3.912 -8.022 1.00 0.16 C ATOM 1520 O ALA A 99 -11.100 3.074 -8.403 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.252 6.216 -8.973 1.00 0.19 C ATOM 0 H ALA A 99 -9.504 6.621 -6.617 1.00 0.16 H new ATOM 0 HA ALA A 99 -11.836 5.391 -7.766 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.650 5.825 -9.909 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.589 7.243 -8.836 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -9.163 6.193 -9.005 1.00 0.19 H new ATOM 1527 N THR A 100 -9.067 3.599 -7.789 1.00 0.16 N ATOM 1528 CA THR A 100 -8.629 2.194 -7.997 1.00 0.16 C ATOM 1529 C THR A 100 -9.374 1.300 -6.999 1.00 0.15 C ATOM 1530 O THR A 100 -9.829 0.225 -7.334 1.00 0.15 O ATOM 1531 CB THR A 100 -7.120 2.090 -7.779 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.467 3.099 -8.541 1.00 0.19 O ATOM 1533 CG2 THR A 100 -6.633 0.719 -8.247 1.00 0.20 C ATOM 0 H THR A 100 -8.346 4.245 -7.468 1.00 0.16 H new ATOM 0 HA THR A 100 -8.854 1.874 -9.014 1.00 0.16 H new ATOM 0 HB THR A 100 -6.894 2.219 -6.720 1.00 0.17 H new ATOM 0 HG1 THR A 100 -6.478 3.943 -8.044 1.00 0.19 H new ATOM 0 HG21 THR A 100 -5.557 0.643 -8.092 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.138 -0.061 -7.676 1.00 0.20 H new ATOM 0 HG23 THR A 100 -6.857 0.596 -9.307 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.539 1.758 -5.783 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.295 0.951 -4.775 1.00 0.13 C ATOM 1543 C ILE A 101 -11.732 0.848 -5.257 1.00 0.14 C ATOM 1544 O ILE A 101 -12.328 -0.205 -5.278 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.285 1.670 -3.418 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -8.878 1.626 -2.820 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.265 0.981 -2.459 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -8.771 2.645 -1.684 1.00 0.16 C ATOM 0 H ILE A 101 -9.184 2.653 -5.445 1.00 0.14 H new ATOM 0 HA ILE A 101 -9.840 -0.033 -4.663 1.00 0.13 H new ATOM 0 HB ILE A 101 -10.586 2.707 -3.563 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -8.662 0.625 -2.446 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.138 1.845 -3.590 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.255 1.494 -1.497 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.270 1.017 -2.879 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -10.967 -0.058 -2.319 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -7.768 2.612 -1.259 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -8.968 3.644 -2.072 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.501 2.405 -0.910 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.272 1.958 -5.659 1.00 0.17 N ATOM 1561 CA ASN A 102 -13.661 1.996 -6.170 1.00 0.20 C ATOM 1562 C ASN A 102 -13.742 1.080 -7.388 1.00 0.19 C ATOM 1563 O ASN A 102 -14.732 0.427 -7.636 1.00 0.20 O ATOM 1564 CB ASN A 102 -13.990 3.444 -6.564 1.00 0.25 C ATOM 1565 CG ASN A 102 -15.469 3.584 -6.902 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -15.890 4.599 -7.419 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -16.277 2.611 -6.629 1.00 0.55 N ATOM 0 H ASN A 102 -11.797 2.860 -5.654 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.373 1.660 -5.417 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -13.733 4.117 -5.746 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -13.386 3.740 -7.422 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.270 2.696 -6.848 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -15.921 1.759 -6.195 1.00 0.55 H new ATOM 1574 N GLU A 103 -12.695 1.049 -8.157 1.00 0.18 N ATOM 1575 CA GLU A 103 -12.670 0.199 -9.374 1.00 0.18 C ATOM 1576 C GLU A 103 -12.647 -1.287 -8.982 1.00 0.16 C ATOM 1577 O GLU A 103 -13.275 -2.113 -9.613 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.398 0.535 -10.157 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.449 -0.098 -11.553 1.00 0.21 C ATOM 1580 CD GLU A 103 -11.252 -1.612 -11.448 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -10.186 -2.022 -11.018 1.00 2.21 O ATOM 1582 OE2 GLU A 103 -12.170 -2.336 -11.798 1.00 2.04 O ATOM 0 H GLU A 103 -11.843 1.585 -7.991 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.558 0.386 -9.978 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.292 1.616 -10.244 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.524 0.171 -9.617 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -12.406 0.121 -12.026 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -10.675 0.335 -12.186 1.00 0.21 H new ATOM 1589 N LEU A 104 -11.900 -1.637 -7.960 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.803 -3.075 -7.541 1.00 0.14 C ATOM 1591 C LEU A 104 -12.742 -3.387 -6.363 1.00 0.13 C ATOM 1592 O LEU A 104 -12.817 -4.514 -5.916 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.360 -3.374 -7.110 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.393 -3.243 -8.297 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -7.951 -3.306 -7.779 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.627 -4.381 -9.312 1.00 0.25 C ATOM 0 H LEU A 104 -11.352 -0.987 -7.396 1.00 0.14 H new ATOM 0 HA LEU A 104 -12.096 -3.694 -8.389 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -10.064 -2.687 -6.317 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.301 -4.381 -6.698 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.569 -2.290 -8.796 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.259 -3.214 -8.616 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.781 -2.490 -7.076 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.786 -4.259 -7.276 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -8.934 -4.273 -10.146 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.462 -5.342 -8.825 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.651 -4.333 -9.683 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.445 -2.417 -5.839 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.349 -2.711 -4.680 1.00 0.15 C ATOM 1610 C VAL A 105 -15.467 -3.658 -5.129 1.00 0.16 C ATOM 1611 O VAL A 105 -15.792 -3.642 -6.306 1.00 1.08 O ATOM 1612 CB VAL A 105 -14.965 -1.411 -4.142 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -16.031 -0.885 -5.114 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.605 -1.678 -2.775 1.00 0.19 C ATOM 1615 OXT VAL A 105 -15.980 -4.378 -4.290 1.00 1.08 O ATOM 0 H VAL A 105 -13.436 -1.447 -6.155 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.765 -3.181 -3.888 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.180 -0.662 -4.041 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.459 0.037 -4.720 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.574 -0.687 -6.083 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -16.818 -1.630 -5.229 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -16.043 -0.756 -2.392 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.384 -2.433 -2.879 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.844 -2.034 -2.080 1.00 0.19 H new TER 1625 VAL A 105 ATOM 1626 N PRO B 59 14.872 17.900 -12.868 1.00 1.11 N ATOM 1627 CA PRO B 59 14.991 16.413 -12.956 1.00 1.14 C ATOM 1628 C PRO B 59 14.513 15.717 -11.672 1.00 1.00 C ATOM 1629 O PRO B 59 14.186 14.546 -11.679 1.00 1.04 O ATOM 1630 CB PRO B 59 16.497 16.185 -13.181 1.00 1.33 C ATOM 1631 CG PRO B 59 17.159 17.390 -12.591 1.00 1.46 C ATOM 1632 CD PRO B 59 16.190 18.554 -12.800 1.00 1.26 C ATOM 0 HA PRO B 59 14.369 15.996 -13.748 1.00 1.14 H new ATOM 0 HB2 PRO B 59 16.835 15.270 -12.695 1.00 1.33 H new ATOM 0 HB3 PRO B 59 16.728 16.086 -14.242 1.00 1.33 H new ATOM 0 HG2 PRO B 59 17.366 17.241 -11.531 1.00 1.46 H new ATOM 0 HG3 PRO B 59 18.114 17.587 -13.077 1.00 1.46 H new ATOM 0 HD2 PRO B 59 16.240 19.270 -11.980 1.00 1.26 H new ATOM 0 HD3 PRO B 59 16.413 19.102 -13.715 1.00 1.26 H new ATOM 1640 N ALA B 60 14.458 16.432 -10.575 1.00 0.88 N ATOM 1641 CA ALA B 60 13.989 15.822 -9.290 1.00 0.76 C ATOM 1642 C ALA B 60 12.561 16.295 -9.011 1.00 0.61 C ATOM 1643 O ALA B 60 12.296 17.479 -8.938 1.00 0.61 O ATOM 1644 CB ALA B 60 14.911 16.266 -8.149 1.00 0.78 C ATOM 0 H ALA B 60 14.719 17.416 -10.513 1.00 0.88 H new ATOM 0 HA ALA B 60 14.009 14.735 -9.364 1.00 0.76 H new ATOM 0 HB1 ALA B 60 14.571 15.823 -7.213 1.00 0.78 H new ATOM 0 HB2 ALA B 60 15.930 15.939 -8.356 1.00 0.78 H new ATOM 0 HB3 ALA B 60 14.889 17.353 -8.065 1.00 0.78 H new ATOM 1650 N THR B 61 11.637 15.376 -8.863 1.00 0.54 N ATOM 1651 CA THR B 61 10.210 15.760 -8.603 1.00 0.44 C ATOM 1652 C THR B 61 9.830 15.419 -7.156 1.00 0.34 C ATOM 1653 O THR B 61 10.055 14.321 -6.686 1.00 0.32 O ATOM 1654 CB THR B 61 9.317 14.974 -9.568 1.00 0.51 C ATOM 1655 OG1 THR B 61 9.781 15.168 -10.896 1.00 0.70 O ATOM 1656 CG2 THR B 61 7.872 15.464 -9.462 1.00 0.47 C ATOM 0 H THR B 61 11.809 14.372 -8.911 1.00 0.54 H new ATOM 0 HA THR B 61 10.080 16.832 -8.754 1.00 0.44 H new ATOM 0 HB THR B 61 9.355 13.916 -9.311 1.00 0.51 H new ATOM 0 HG1 THR B 61 9.214 14.666 -11.517 1.00 0.70 H new ATOM 0 HG21 THR B 61 7.245 14.899 -10.152 1.00 0.47 H new ATOM 0 HG22 THR B 61 7.513 15.319 -8.443 1.00 0.47 H new ATOM 0 HG23 THR B 61 7.827 16.523 -9.715 1.00 0.47 H new ATOM 1664 N LEU B 62 9.258 16.360 -6.447 1.00 0.34 N ATOM 1665 CA LEU B 62 8.856 16.103 -5.032 1.00 0.32 C ATOM 1666 C LEU B 62 7.730 15.069 -4.998 1.00 0.23 C ATOM 1667 O LEU B 62 7.590 14.317 -4.054 1.00 0.25 O ATOM 1668 CB LEU B 62 8.350 17.406 -4.398 1.00 0.40 C ATOM 1669 CG LEU B 62 9.517 18.383 -4.174 1.00 0.50 C ATOM 1670 CD1 LEU B 62 8.970 19.806 -4.026 1.00 0.61 C ATOM 1671 CD2 LEU B 62 10.284 18.017 -2.894 1.00 0.55 C ATOM 0 H LEU B 62 9.052 17.298 -6.790 1.00 0.34 H new ATOM 0 HA LEU B 62 9.718 15.730 -4.478 1.00 0.32 H new ATOM 0 HB2 LEU B 62 7.602 17.865 -5.044 1.00 0.40 H new ATOM 0 HB3 LEU B 62 7.861 17.190 -3.448 1.00 0.40 H new ATOM 0 HG LEU B 62 10.190 18.322 -5.030 1.00 0.50 H new ATOM 0 HD11 LEU B 62 9.796 20.499 -3.867 1.00 0.61 H new ATOM 0 HD12 LEU B 62 8.432 20.085 -4.932 1.00 0.61 H new ATOM 0 HD13 LEU B 62 8.292 19.848 -3.173 1.00 0.61 H new ATOM 0 HD21 LEU B 62 11.106 18.718 -2.750 1.00 0.55 H new ATOM 0 HD22 LEU B 62 9.610 18.068 -2.039 1.00 0.55 H new ATOM 0 HD23 LEU B 62 10.680 17.006 -2.984 1.00 0.55 H new ATOM 1683 N LYS B 63 6.916 15.044 -6.013 1.00 0.19 N ATOM 1684 CA LYS B 63 5.781 14.081 -6.049 1.00 0.14 C ATOM 1685 C LYS B 63 6.316 12.649 -5.963 1.00 0.12 C ATOM 1686 O LYS B 63 5.591 11.736 -5.611 1.00 0.12 O ATOM 1687 CB LYS B 63 5.015 14.258 -7.365 1.00 0.17 C ATOM 1688 CG LYS B 63 4.446 15.684 -7.455 1.00 0.20 C ATOM 1689 CD LYS B 63 3.220 15.843 -6.548 1.00 0.40 C ATOM 1690 CE LYS B 63 2.515 17.159 -6.881 1.00 0.35 C ATOM 1691 NZ LYS B 63 1.250 17.256 -6.099 1.00 1.31 N ATOM 0 H LYS B 63 6.988 15.654 -6.827 1.00 0.19 H new ATOM 0 HA LYS B 63 5.117 14.269 -5.205 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.678 14.068 -8.209 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.206 13.530 -7.425 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.212 16.404 -7.167 1.00 0.20 H new ATOM 0 HG3 LYS B 63 4.171 15.906 -8.486 1.00 0.20 H new ATOM 0 HD2 LYS B 63 2.537 15.005 -6.689 1.00 0.40 H new ATOM 0 HD3 LYS B 63 3.524 15.834 -5.501 1.00 0.40 H new ATOM 0 HE2 LYS B 63 3.165 18.002 -6.647 1.00 0.35 H new ATOM 0 HE3 LYS B 63 2.300 17.209 -7.948 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 0.770 18.151 -6.325 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 0.629 16.458 -6.343 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 1.467 17.227 -5.082 1.00 1.31 H new ATOM 1705 N ILE B 64 7.568 12.446 -6.308 1.00 0.11 N ATOM 1706 CA ILE B 64 8.176 11.067 -6.264 1.00 0.11 C ATOM 1707 C ILE B 64 9.514 11.112 -5.502 1.00 0.10 C ATOM 1708 O ILE B 64 10.288 12.034 -5.661 1.00 0.11 O ATOM 1709 CB ILE B 64 8.453 10.580 -7.699 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.136 10.396 -8.475 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.214 9.249 -7.665 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.206 9.395 -7.759 1.00 0.15 C ATOM 0 H ILE B 64 8.203 13.181 -6.621 1.00 0.11 H new ATOM 0 HA ILE B 64 7.482 10.392 -5.763 1.00 0.11 H new ATOM 0 HB ILE B 64 9.058 11.333 -8.204 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.632 11.357 -8.576 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.351 10.041 -9.483 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.405 8.913 -8.684 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.162 9.385 -7.144 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.617 8.502 -7.143 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.283 9.284 -8.329 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.703 8.428 -7.681 1.00 0.15 H new ATOM 0 HD13 ILE B 64 5.974 9.765 -6.760 1.00 0.15 H new ATOM 1724 N CYS B 65 9.811 10.103 -4.707 1.00 0.09 N ATOM 1725 CA CYS B 65 11.125 10.066 -3.986 1.00 0.10 C ATOM 1726 C CYS B 65 12.047 9.128 -4.783 1.00 0.10 C ATOM 1727 O CYS B 65 11.653 8.044 -5.168 1.00 0.11 O ATOM 1728 CB CYS B 65 10.961 9.519 -2.557 1.00 0.10 C ATOM 1729 SG CYS B 65 9.593 10.349 -1.701 1.00 0.19 S ATOM 0 H CYS B 65 9.199 9.307 -4.529 1.00 0.09 H new ATOM 0 HA CYS B 65 11.535 11.073 -3.910 1.00 0.10 H new ATOM 0 HB2 CYS B 65 10.775 8.446 -2.593 1.00 0.10 H new ATOM 0 HB3 CYS B 65 11.886 9.664 -1.999 1.00 0.10 H new ATOM 1734 N SER B 66 13.255 9.539 -5.070 1.00 0.12 N ATOM 1735 CA SER B 66 14.168 8.668 -5.881 1.00 0.14 C ATOM 1736 C SER B 66 14.893 7.637 -4.998 1.00 0.14 C ATOM 1737 O SER B 66 15.308 7.925 -3.891 1.00 0.15 O ATOM 1738 CB SER B 66 15.207 9.551 -6.572 1.00 0.18 C ATOM 1739 OG SER B 66 14.546 10.484 -7.420 1.00 0.20 O ATOM 0 H SER B 66 13.650 10.434 -4.782 1.00 0.12 H new ATOM 0 HA SER B 66 13.568 8.128 -6.614 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.804 10.079 -5.828 1.00 0.18 H new ATOM 0 HB3 SER B 66 15.893 8.936 -7.154 1.00 0.18 H new ATOM 0 HG SER B 66 15.211 11.052 -7.862 1.00 0.20 H new ATOM 1745 N TRP B 67 15.082 6.440 -5.506 1.00 0.15 N ATOM 1746 CA TRP B 67 15.802 5.389 -4.726 1.00 0.16 C ATOM 1747 C TRP B 67 17.294 5.696 -4.740 1.00 0.19 C ATOM 1748 O TRP B 67 18.067 5.110 -4.005 1.00 0.21 O ATOM 1749 CB TRP B 67 15.560 4.004 -5.348 1.00 0.16 C ATOM 1750 CG TRP B 67 14.138 3.620 -5.110 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.078 4.328 -5.538 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.599 2.469 -4.392 1.00 0.14 C ATOM 1753 NE1 TRP B 67 11.928 3.696 -5.128 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.195 2.553 -4.412 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.181 1.377 -3.728 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.397 1.598 -3.796 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.380 0.409 -3.110 1.00 0.17 C ATOM 1758 CH2 TRP B 67 11.990 0.523 -3.139 1.00 0.16 C ATOM 0 H TRP B 67 14.766 6.148 -6.431 1.00 0.15 H new ATOM 0 HA TRP B 67 15.430 5.384 -3.702 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.772 4.026 -6.417 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.230 3.267 -4.905 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.123 5.243 -6.110 1.00 0.13 H new ATOM 0 HE1 TRP B 67 10.988 4.035 -5.331 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.256 1.283 -3.694 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.321 1.689 -3.826 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 13.840 -0.430 -2.609 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.375 -0.220 -2.653 1.00 0.16 H new ATOM 1769 N ASN B 68 17.711 6.622 -5.565 1.00 0.23 N ATOM 1770 CA ASN B 68 19.159 6.967 -5.619 1.00 0.27 C ATOM 1771 C ASN B 68 19.642 7.258 -4.198 1.00 0.26 C ATOM 1772 O ASN B 68 20.825 7.327 -3.936 1.00 0.30 O ATOM 1773 CB ASN B 68 19.365 8.221 -6.479 1.00 0.34 C ATOM 1774 CG ASN B 68 19.043 7.904 -7.943 1.00 0.40 C ATOM 1775 OD1 ASN B 68 19.306 8.706 -8.818 1.00 0.49 O ATOM 1776 ND2 ASN B 68 18.478 6.768 -8.246 1.00 0.40 N ATOM 0 H ASN B 68 17.113 7.151 -6.200 1.00 0.23 H new ATOM 0 HA ASN B 68 19.717 6.137 -6.052 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.724 9.027 -6.122 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.394 8.569 -6.390 1.00 0.34 H new ATOM 0 HD21 ASN B 68 18.256 6.552 -9.218 1.00 0.40 H new ATOM 0 HD22 ASN B 68 18.258 6.096 -7.511 1.00 0.40 H new ATOM 1783 N VAL B 69 18.731 7.421 -3.276 1.00 0.26 N ATOM 1784 CA VAL B 69 19.142 7.696 -1.872 1.00 0.33 C ATOM 1785 C VAL B 69 19.980 6.524 -1.349 1.00 0.41 C ATOM 1786 O VAL B 69 19.698 5.375 -1.624 1.00 0.49 O ATOM 1787 CB VAL B 69 17.898 7.872 -0.988 1.00 0.45 C ATOM 1788 CG1 VAL B 69 17.186 9.180 -1.348 1.00 0.99 C ATOM 1789 CG2 VAL B 69 16.927 6.704 -1.206 1.00 1.04 C ATOM 0 H VAL B 69 17.724 7.376 -3.435 1.00 0.26 H new ATOM 0 HA VAL B 69 19.733 8.611 -1.843 1.00 0.33 H new ATOM 0 HB VAL B 69 18.213 7.896 0.055 1.00 0.45 H new ATOM 0 HG11 VAL B 69 16.305 9.300 -0.718 1.00 0.99 H new ATOM 0 HG12 VAL B 69 17.863 10.019 -1.188 1.00 0.99 H new ATOM 0 HG13 VAL B 69 16.883 9.153 -2.395 1.00 0.99 H new ATOM 0 HG21 VAL B 69 16.049 6.838 -0.575 1.00 1.04 H new ATOM 0 HG22 VAL B 69 16.621 6.675 -2.252 1.00 1.04 H new ATOM 0 HG23 VAL B 69 17.420 5.767 -0.946 1.00 1.04 H new ATOM 1799 N ASP B 70 21.013 6.804 -0.598 1.00 0.49 N ATOM 1800 CA ASP B 70 21.864 5.702 -0.062 1.00 0.64 C ATOM 1801 C ASP B 70 21.009 4.783 0.814 1.00 0.76 C ATOM 1802 O ASP B 70 21.175 3.579 0.815 1.00 0.90 O ATOM 1803 CB ASP B 70 22.996 6.286 0.791 1.00 0.74 C ATOM 1804 CG ASP B 70 24.053 6.940 -0.104 1.00 0.77 C ATOM 1805 OD1 ASP B 70 24.403 6.346 -1.111 1.00 1.36 O ATOM 1806 OD2 ASP B 70 24.500 8.022 0.241 1.00 1.32 O ATOM 0 H ASP B 70 21.303 7.745 -0.334 1.00 0.49 H new ATOM 0 HA ASP B 70 22.287 5.140 -0.895 1.00 0.64 H new ATOM 0 HB2 ASP B 70 22.593 7.022 1.487 1.00 0.74 H new ATOM 0 HB3 ASP B 70 23.453 5.498 1.389 1.00 0.74 H new ATOM 1811 N GLY B 71 20.112 5.346 1.579 1.00 0.77 N ATOM 1812 CA GLY B 71 19.259 4.510 2.473 1.00 0.96 C ATOM 1813 C GLY B 71 18.569 3.412 1.662 1.00 1.62 C ATOM 1814 O GLY B 71 18.241 3.663 0.513 1.00 2.29 O ATOM 1815 OXT GLY B 71 18.380 2.335 2.207 1.00 2.32 O ATOM 0 H GLY B 71 19.933 6.349 1.623 1.00 0.77 H new ATOM 0 HA2 GLY B 71 19.869 4.064 3.259 1.00 0.96 H new ATOM 0 HA3 GLY B 71 18.513 5.134 2.965 1.00 0.96 H new TER 1819 GLY B 71