USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 928 hydrogens (10 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 NoAdj-H: X 501 TSA HO4 : X 501 TSA O4 : X 501 TSA C11 :(short bond) USER MOD NoAdj-H: X 501 TSA HO2 : X 501 TSA O2 : X 501 TSA C10 :(short bond) USER MOD Set 1.1: X 53 ASN :FLIP amide:sc= -2.15 F(o=-16!,f=-2.1) USER MOD Set 1.2: X 91 LYS NZ :NH3+ -120:sc= 0.0854 (180deg=0.0422) USER MOD Set 2.1: X 45 LYS NZ :NH3+ -177:sc= -0.693! (180deg=-0.448) USER MOD Set 2.2: X 90 ASN : amide:sc= -4.75! C(o=-5.4!,f=-6.1!) USER MOD Set 2.3: X 94 GLN :FLIP amide:sc= 0.0482 F(o=-9.5!,f=-5.4) USER MOD Single : X 1 MET CE :methyl -151:sc= -0.162 (180deg=-1.17) USER MOD Single : X 1 MET N :NH3+ -114:sc= -0.854 (180deg=-2.4) USER MOD Single : X 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 11 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0322) USER MOD Single : X 17 ASN : amide:sc= -0.844 K(o=-0.84,f=-5!) USER MOD Single : X 18 LYS NZ :NH3+ -121:sc= -7.38! (180deg=-9.37!) USER MOD Single : X 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 35 ASN : amide:sc= -3.9! C(o=-3.9!,f=-7.3!) USER MOD Single : X 36 SER OG : rot -47:sc= -2.96! USER MOD Single : X 39 LYS NZ :NH3+ 159:sc=-0.00359 (180deg=-0.11) USER MOD Single : X 46 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : X 47 GLN :FLIP amide:sc= -0.281 F(o=-1.6!,f=-0.28) USER MOD Single : X 59 LYS NZ :NH3+ -109:sc= -0.0132 (180deg=-1.67!) USER MOD Single : X 60 TYR OH : rot 180:sc= 0 USER MOD Single : X 62 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 69 CYS SG : rot -72:sc= 0.237 USER MOD Single : X 70 LYS NZ :NH3+ 177:sc= -1.21 (180deg=-1.27) USER MOD Single : X 72 HIS : no HE2:sc= -3.14! C(o=-3.1!,f=-3!) USER MOD Single : X 73 ASN : amide:sc= -0.446 K(o=-0.45,f=-2.5!) USER MOD Single : X 77 ASN : amide:sc= 0.132 K(o=0.13,f=-3.7!) USER MOD Single : X 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 84 GLN : amide:sc= -3.59! C(o=-3.6!,f=-3.5!) USER MOD Single : X 89 HIS : no HE2:sc= -13.6! C(o=-14!,f=-21!) USER MOD Single : X 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 96 GLN : amide:sc= -1.29 K(o=-1.3,f=-2.8) USER MOD Single : X 97 TYR OH : rot 180:sc= -0.11 USER MOD Single : X 101 THR OG1 : rot 27:sc= -0.013 USER MOD Single : X 104 HIS :FLIP no HD1:sc= -0.901 F(o=-2,f=-0.9) USER MOD Single : X 501 TSA O5 : rot 42:sc= 0.682 USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 -16.275 -11.486 -2.537 1.00 5.23 N ATOM 2 CA MET X 1 -16.655 -10.843 -1.248 1.00 13.21 C ATOM 3 C MET X 1 -15.385 -10.549 -0.444 1.00 1.52 C ATOM 4 O MET X 1 -14.580 -9.717 -0.816 1.00 71.25 O ATOM 5 CB MET X 1 -17.562 -11.790 -0.453 1.00 34.01 C ATOM 6 CG MET X 1 -18.879 -12.010 -1.210 1.00 33.13 C ATOM 7 SD MET X 1 -19.793 -10.449 -1.306 1.00 63.13 S ATOM 8 CE MET X 1 -20.214 -10.309 0.449 1.00 62.43 C ATOM 0 H1 MET X 1 -16.514 -10.851 -3.325 1.00 5.23 H new ATOM 0 H2 MET X 1 -15.252 -11.675 -2.542 1.00 5.23 H new ATOM 0 H3 MET X 1 -16.793 -12.381 -2.644 1.00 5.23 H new ATOM 0 HA MET X 1 -17.190 -9.913 -1.441 1.00 13.21 H new ATOM 0 HB2 MET X 1 -17.058 -12.744 -0.297 1.00 34.01 H new ATOM 0 HB3 MET X 1 -17.765 -11.371 0.533 1.00 34.01 H new ATOM 0 HG2 MET X 1 -18.675 -12.386 -2.213 1.00 33.13 H new ATOM 0 HG3 MET X 1 -19.480 -12.764 -0.703 1.00 33.13 H new ATOM 0 HE1 MET X 1 -21.150 -9.761 0.556 1.00 62.43 H new ATOM 0 HE2 MET X 1 -20.326 -11.305 0.877 1.00 62.43 H new ATOM 0 HE3 MET X 1 -19.420 -9.776 0.972 1.00 62.43 H new ATOM 20 N ILE X 2 -15.196 -11.232 0.653 1.00 52.44 N ATOM 21 CA ILE X 2 -13.979 -10.999 1.482 1.00 43.30 C ATOM 22 C ILE X 2 -12.744 -11.490 0.715 1.00 61.41 C ATOM 23 O ILE X 2 -11.657 -10.968 0.871 1.00 51.22 O ATOM 24 CB ILE X 2 -14.106 -11.774 2.798 1.00 13.45 C ATOM 25 CG1 ILE X 2 -12.955 -11.385 3.732 1.00 22.45 C ATOM 26 CG2 ILE X 2 -14.053 -13.276 2.519 1.00 4.24 C ATOM 27 CD1 ILE X 2 -13.217 -11.939 5.135 1.00 43.01 C ATOM 0 H ILE X 2 -15.834 -11.943 1.011 1.00 52.44 H new ATOM 0 HA ILE X 2 -13.877 -9.935 1.696 1.00 43.30 H new ATOM 0 HB ILE X 2 -15.057 -11.530 3.271 1.00 13.45 H new ATOM 0 HG12 ILE X 2 -12.013 -11.776 3.346 1.00 22.45 H new ATOM 0 HG13 ILE X 2 -12.857 -10.300 3.772 1.00 22.45 H new ATOM 0 HG21 ILE X 2 -14.144 -13.824 3.457 1.00 4.24 H new ATOM 0 HG22 ILE X 2 -14.874 -13.552 1.857 1.00 4.24 H new ATOM 0 HG23 ILE X 2 -13.104 -13.525 2.044 1.00 4.24 H new ATOM 0 HD11 ILE X 2 -12.396 -11.660 5.796 1.00 43.01 H new ATOM 0 HD12 ILE X 2 -14.149 -11.527 5.521 1.00 43.01 H new ATOM 0 HD13 ILE X 2 -13.292 -13.025 5.089 1.00 43.01 H new ATOM 39 N GLU X 3 -12.904 -12.487 -0.116 1.00 4.02 N ATOM 40 CA GLU X 3 -11.745 -13.014 -0.896 1.00 64.43 C ATOM 41 C GLU X 3 -11.245 -11.935 -1.863 1.00 44.52 C ATOM 42 O GLU X 3 -10.060 -11.787 -2.088 1.00 45.41 O ATOM 43 CB GLU X 3 -12.190 -14.241 -1.696 1.00 74.44 C ATOM 44 CG GLU X 3 -12.480 -15.405 -0.744 1.00 61.30 C ATOM 45 CD GLU X 3 -12.988 -16.608 -1.538 1.00 44.21 C ATOM 46 OE1 GLU X 3 -13.060 -16.503 -2.752 1.00 32.24 O ATOM 47 OE2 GLU X 3 -13.298 -17.614 -0.922 1.00 5.25 O ATOM 0 H GLU X 3 -13.791 -12.960 -0.288 1.00 4.02 H new ATOM 0 HA GLU X 3 -10.942 -13.291 -0.212 1.00 64.43 H new ATOM 0 HB2 GLU X 3 -13.081 -14.004 -2.277 1.00 74.44 H new ATOM 0 HB3 GLU X 3 -11.413 -14.525 -2.406 1.00 74.44 H new ATOM 0 HG2 GLU X 3 -11.576 -15.674 -0.197 1.00 61.30 H new ATOM 0 HG3 GLU X 3 -13.223 -15.106 -0.004 1.00 61.30 H new ATOM 54 N LYS X 4 -12.145 -11.182 -2.436 1.00 52.15 N ATOM 55 CA LYS X 4 -11.738 -10.116 -3.399 1.00 51.42 C ATOM 56 C LYS X 4 -10.770 -9.138 -2.712 1.00 14.52 C ATOM 57 O LYS X 4 -9.783 -8.721 -3.286 1.00 43.43 O ATOM 58 CB LYS X 4 -12.990 -9.360 -3.869 1.00 63.21 C ATOM 59 CG LYS X 4 -13.962 -10.338 -4.540 1.00 64.34 C ATOM 60 CD LYS X 4 -13.486 -10.640 -5.968 1.00 64.45 C ATOM 61 CE LYS X 4 -14.497 -11.553 -6.668 1.00 62.12 C ATOM 62 NZ LYS X 4 -14.044 -11.821 -8.065 1.00 55.51 N ATOM 0 H LYS X 4 -13.150 -11.259 -2.278 1.00 52.15 H new ATOM 0 HA LYS X 4 -11.238 -10.568 -4.256 1.00 51.42 H new ATOM 0 HB2 LYS X 4 -13.474 -8.875 -3.021 1.00 63.21 H new ATOM 0 HB3 LYS X 4 -12.710 -8.573 -4.569 1.00 63.21 H new ATOM 0 HG2 LYS X 4 -14.021 -11.261 -3.963 1.00 64.34 H new ATOM 0 HG3 LYS X 4 -14.965 -9.911 -4.563 1.00 64.34 H new ATOM 0 HD2 LYS X 4 -13.372 -9.711 -6.527 1.00 64.45 H new ATOM 0 HD3 LYS X 4 -12.507 -11.118 -5.942 1.00 64.45 H new ATOM 0 HE2 LYS X 4 -14.596 -12.490 -6.121 1.00 62.12 H new ATOM 0 HE3 LYS X 4 -15.481 -11.084 -6.677 1.00 62.12 H new ATOM 0 HZ1 LYS X 4 -14.731 -12.441 -8.540 1.00 55.51 H new ATOM 0 HZ2 LYS X 4 -13.971 -10.923 -8.585 1.00 55.51 H new ATOM 0 HZ3 LYS X 4 -13.114 -12.286 -8.045 1.00 55.51 H new ATOM 76 N LEU X 5 -11.050 -8.774 -1.489 1.00 23.41 N ATOM 77 CA LEU X 5 -10.152 -7.840 -0.742 1.00 62.04 C ATOM 78 C LEU X 5 -8.784 -8.496 -0.535 1.00 43.34 C ATOM 79 O LEU X 5 -7.756 -7.854 -0.609 1.00 44.02 O ATOM 80 CB LEU X 5 -10.794 -7.543 0.619 1.00 62.32 C ATOM 81 CG LEU X 5 -9.893 -6.633 1.460 1.00 22.32 C ATOM 82 CD1 LEU X 5 -10.759 -5.589 2.170 1.00 51.13 C ATOM 83 CD2 LEU X 5 -9.159 -7.469 2.513 1.00 34.41 C ATOM 0 H LEU X 5 -11.870 -9.086 -0.969 1.00 23.41 H new ATOM 0 HA LEU X 5 -10.017 -6.916 -1.304 1.00 62.04 H new ATOM 0 HB2 LEU X 5 -11.764 -7.067 0.472 1.00 62.32 H new ATOM 0 HB3 LEU X 5 -10.975 -8.476 1.152 1.00 62.32 H new ATOM 0 HG LEU X 5 -9.168 -6.141 0.812 1.00 22.32 H new ATOM 0 HD11 LEU X 5 -10.124 -4.938 2.771 1.00 51.13 H new ATOM 0 HD12 LEU X 5 -11.292 -4.993 1.429 1.00 51.13 H new ATOM 0 HD13 LEU X 5 -11.478 -6.092 2.817 1.00 51.13 H new ATOM 0 HD21 LEU X 5 -8.518 -6.820 3.111 1.00 34.41 H new ATOM 0 HD22 LEU X 5 -9.886 -7.958 3.161 1.00 34.41 H new ATOM 0 HD23 LEU X 5 -8.549 -8.224 2.017 1.00 34.41 H new ATOM 95 N ALA X 6 -8.773 -9.772 -0.268 1.00 2.22 N ATOM 96 CA ALA X 6 -7.483 -10.483 -0.026 1.00 51.22 C ATOM 97 C ALA X 6 -6.577 -10.392 -1.259 1.00 72.23 C ATOM 98 O ALA X 6 -5.548 -9.746 -1.234 1.00 52.14 O ATOM 99 CB ALA X 6 -7.772 -11.954 0.274 1.00 71.23 C ATOM 0 H ALA X 6 -9.606 -10.358 -0.206 1.00 2.22 H new ATOM 0 HA ALA X 6 -6.976 -10.016 0.818 1.00 51.22 H new ATOM 0 HB1 ALA X 6 -6.834 -12.480 0.452 1.00 71.23 H new ATOM 0 HB2 ALA X 6 -8.403 -12.028 1.160 1.00 71.23 H new ATOM 0 HB3 ALA X 6 -8.285 -12.405 -0.576 1.00 71.23 H new ATOM 105 N GLU X 7 -6.936 -11.046 -2.330 1.00 41.10 N ATOM 106 CA GLU X 7 -6.079 -11.005 -3.551 1.00 41.35 C ATOM 107 C GLU X 7 -5.726 -9.554 -3.893 1.00 43.42 C ATOM 108 O GLU X 7 -4.633 -9.260 -4.335 1.00 11.00 O ATOM 109 CB GLU X 7 -6.832 -11.632 -4.724 1.00 33.42 C ATOM 110 CG GLU X 7 -7.032 -13.128 -4.471 1.00 64.12 C ATOM 111 CD GLU X 7 -7.808 -13.749 -5.634 1.00 4.53 C ATOM 112 OE1 GLU X 7 -8.154 -13.017 -6.547 1.00 73.02 O ATOM 113 OE2 GLU X 7 -8.043 -14.944 -5.594 1.00 54.31 O ATOM 0 H GLU X 7 -7.784 -11.606 -2.413 1.00 41.10 H new ATOM 0 HA GLU X 7 -5.162 -11.563 -3.362 1.00 41.35 H new ATOM 0 HB2 GLU X 7 -7.798 -11.143 -4.851 1.00 33.42 H new ATOM 0 HB3 GLU X 7 -6.274 -11.481 -5.648 1.00 33.42 H new ATOM 0 HG2 GLU X 7 -6.066 -13.620 -4.362 1.00 64.12 H new ATOM 0 HG3 GLU X 7 -7.574 -13.279 -3.538 1.00 64.12 H new ATOM 120 N ILE X 8 -6.644 -8.646 -3.699 1.00 32.53 N ATOM 121 CA ILE X 8 -6.364 -7.216 -4.025 1.00 75.11 C ATOM 122 C ILE X 8 -5.219 -6.695 -3.147 1.00 54.43 C ATOM 123 O ILE X 8 -4.281 -6.091 -3.631 1.00 24.33 O ATOM 124 CB ILE X 8 -7.615 -6.382 -3.756 1.00 31.11 C ATOM 125 CG1 ILE X 8 -8.621 -6.577 -4.895 1.00 1.40 C ATOM 126 CG2 ILE X 8 -7.228 -4.906 -3.663 1.00 51.31 C ATOM 127 CD1 ILE X 8 -9.974 -5.983 -4.489 1.00 75.31 C ATOM 0 H ILE X 8 -7.576 -8.832 -3.329 1.00 32.53 H new ATOM 0 HA ILE X 8 -6.081 -7.138 -5.075 1.00 75.11 H new ATOM 0 HB ILE X 8 -8.069 -6.701 -2.818 1.00 31.11 H new ATOM 0 HG12 ILE X 8 -8.257 -6.094 -5.802 1.00 1.40 H new ATOM 0 HG13 ILE X 8 -8.730 -7.638 -5.120 1.00 1.40 H new ATOM 0 HG21 ILE X 8 -8.119 -4.308 -3.471 1.00 51.31 H new ATOM 0 HG22 ILE X 8 -6.515 -4.767 -2.850 1.00 51.31 H new ATOM 0 HG23 ILE X 8 -6.774 -4.589 -4.602 1.00 51.31 H new ATOM 0 HD11 ILE X 8 -10.690 -6.122 -5.299 1.00 75.31 H new ATOM 0 HD12 ILE X 8 -10.338 -6.486 -3.593 1.00 75.31 H new ATOM 0 HD13 ILE X 8 -9.858 -4.918 -4.286 1.00 75.31 H new ATOM 139 N ARG X 9 -5.289 -6.923 -1.863 1.00 10.22 N ATOM 140 CA ARG X 9 -4.224 -6.413 -0.955 1.00 52.14 C ATOM 141 C ARG X 9 -2.912 -7.162 -1.243 1.00 22.52 C ATOM 142 O ARG X 9 -1.831 -6.669 -0.975 1.00 14.14 O ATOM 143 CB ARG X 9 -4.659 -6.623 0.501 1.00 14.43 C ATOM 144 CG ARG X 9 -5.835 -5.684 0.823 1.00 41.23 C ATOM 145 CD ARG X 9 -5.956 -5.516 2.336 1.00 21.02 C ATOM 146 NE ARG X 9 -7.181 -4.717 2.671 1.00 23.31 N ATOM 147 CZ ARG X 9 -7.554 -4.594 3.920 1.00 73.25 C ATOM 148 NH1 ARG X 9 -6.999 -5.337 4.839 1.00 14.21 N ATOM 149 NH2 ARG X 9 -8.534 -3.788 4.240 1.00 51.23 N ATOM 0 H ARG X 9 -6.039 -7.441 -1.404 1.00 10.22 H new ATOM 0 HA ARG X 9 -4.064 -5.348 -1.123 1.00 52.14 H new ATOM 0 HB2 ARG X 9 -4.954 -7.660 0.658 1.00 14.43 H new ATOM 0 HB3 ARG X 9 -3.825 -6.423 1.174 1.00 14.43 H new ATOM 0 HG2 ARG X 9 -5.679 -4.714 0.350 1.00 41.23 H new ATOM 0 HG3 ARG X 9 -6.761 -6.091 0.417 1.00 41.23 H new ATOM 0 HD2 ARG X 9 -6.008 -6.494 2.815 1.00 21.02 H new ATOM 0 HD3 ARG X 9 -5.069 -5.017 2.726 1.00 21.02 H new ATOM 0 HE ARG X 9 -7.721 -4.272 1.929 1.00 23.31 H new ATOM 0 HH11 ARG X 9 -6.277 -6.011 4.583 1.00 14.21 H new ATOM 0 HH12 ARG X 9 -7.287 -5.244 5.813 1.00 14.21 H new ATOM 0 HH21 ARG X 9 -9.011 -3.252 3.515 1.00 51.23 H new ATOM 0 HH22 ARG X 9 -8.821 -3.696 5.214 1.00 51.23 H new ATOM 163 N LYS X 10 -2.996 -8.339 -1.807 1.00 74.42 N ATOM 164 CA LYS X 10 -1.759 -9.096 -2.152 1.00 44.25 C ATOM 165 C LYS X 10 -1.056 -8.364 -3.299 1.00 60.44 C ATOM 166 O LYS X 10 0.158 -8.344 -3.385 1.00 43.15 O ATOM 167 CB LYS X 10 -2.137 -10.522 -2.586 1.00 52.12 C ATOM 168 CG LYS X 10 -2.602 -11.332 -1.365 1.00 52.31 C ATOM 169 CD LYS X 10 -2.814 -12.795 -1.771 1.00 63.24 C ATOM 170 CE LYS X 10 -3.310 -13.599 -0.566 1.00 55.55 C ATOM 171 NZ LYS X 10 -3.509 -15.023 -0.963 1.00 1.32 N ATOM 0 H LYS X 10 -3.870 -8.808 -2.043 1.00 74.42 H new ATOM 0 HA LYS X 10 -1.095 -9.159 -1.290 1.00 44.25 H new ATOM 0 HB2 LYS X 10 -2.930 -10.486 -3.334 1.00 52.12 H new ATOM 0 HB3 LYS X 10 -1.281 -11.009 -3.052 1.00 52.12 H new ATOM 0 HG2 LYS X 10 -1.860 -11.268 -0.569 1.00 52.31 H new ATOM 0 HG3 LYS X 10 -3.529 -10.915 -0.971 1.00 52.31 H new ATOM 0 HD2 LYS X 10 -3.538 -12.856 -2.584 1.00 63.24 H new ATOM 0 HD3 LYS X 10 -1.881 -13.218 -2.143 1.00 63.24 H new ATOM 0 HE2 LYS X 10 -2.588 -13.535 0.248 1.00 55.55 H new ATOM 0 HE3 LYS X 10 -4.246 -13.180 -0.196 1.00 55.55 H new ATOM 0 HZ1 LYS X 10 -3.846 -15.568 -0.144 1.00 1.32 H new ATOM 0 HZ2 LYS X 10 -4.213 -15.075 -1.727 1.00 1.32 H new ATOM 0 HZ3 LYS X 10 -2.607 -15.420 -1.296 1.00 1.32 H new ATOM 185 N LYS X 11 -1.813 -7.744 -4.170 1.00 31.31 N ATOM 186 CA LYS X 11 -1.193 -6.968 -5.284 1.00 5.35 C ATOM 187 C LYS X 11 -0.393 -5.818 -4.672 1.00 41.13 C ATOM 188 O LYS X 11 0.708 -5.517 -5.091 1.00 14.40 O ATOM 189 CB LYS X 11 -2.287 -6.404 -6.208 1.00 45.03 C ATOM 190 CG LYS X 11 -3.144 -7.548 -6.768 1.00 21.24 C ATOM 191 CD LYS X 11 -3.848 -7.087 -8.049 1.00 30.51 C ATOM 192 CE LYS X 11 -4.672 -8.240 -8.627 1.00 11.34 C ATOM 193 NZ LYS X 11 -5.921 -8.412 -7.827 1.00 34.04 N ATOM 0 H LYS X 11 -2.833 -7.743 -4.156 1.00 31.31 H new ATOM 0 HA LYS X 11 -0.542 -7.614 -5.874 1.00 5.35 H new ATOM 0 HB2 LYS X 11 -2.915 -5.705 -5.656 1.00 45.03 H new ATOM 0 HB3 LYS X 11 -1.831 -5.846 -7.026 1.00 45.03 H new ATOM 0 HG2 LYS X 11 -2.518 -8.415 -6.978 1.00 21.24 H new ATOM 0 HG3 LYS X 11 -3.881 -7.859 -6.028 1.00 21.24 H new ATOM 0 HD2 LYS X 11 -4.495 -6.237 -7.834 1.00 30.51 H new ATOM 0 HD3 LYS X 11 -3.112 -6.751 -8.779 1.00 30.51 H new ATOM 0 HE2 LYS X 11 -4.920 -8.037 -9.669 1.00 11.34 H new ATOM 0 HE3 LYS X 11 -4.089 -9.161 -8.612 1.00 11.34 H new ATOM 0 HZ1 LYS X 11 -6.527 -9.126 -8.279 1.00 34.04 H new ATOM 0 HZ2 LYS X 11 -5.677 -8.724 -6.865 1.00 34.04 H new ATOM 0 HZ3 LYS X 11 -6.430 -7.506 -7.779 1.00 34.04 H new ATOM 207 N ILE X 12 -0.939 -5.180 -3.669 1.00 43.21 N ATOM 208 CA ILE X 12 -0.218 -4.051 -3.013 1.00 73.24 C ATOM 209 C ILE X 12 1.108 -4.578 -2.465 1.00 14.44 C ATOM 210 O ILE X 12 2.127 -3.917 -2.521 1.00 50.33 O ATOM 211 CB ILE X 12 -1.068 -3.502 -1.860 1.00 33.34 C ATOM 212 CG1 ILE X 12 -2.121 -2.526 -2.397 1.00 32.35 C ATOM 213 CG2 ILE X 12 -0.167 -2.769 -0.865 1.00 70.11 C ATOM 214 CD1 ILE X 12 -2.936 -3.200 -3.502 1.00 24.34 C ATOM 0 H ILE X 12 -1.856 -5.394 -3.276 1.00 43.21 H new ATOM 0 HA ILE X 12 -0.036 -3.253 -3.732 1.00 73.24 H new ATOM 0 HB ILE X 12 -1.569 -4.334 -1.365 1.00 33.34 H new ATOM 0 HG12 ILE X 12 -2.780 -2.207 -1.589 1.00 32.35 H new ATOM 0 HG13 ILE X 12 -1.636 -1.630 -2.785 1.00 32.35 H new ATOM 0 HG21 ILE X 12 -0.771 -2.379 -0.046 1.00 70.11 H new ATOM 0 HG22 ILE X 12 0.577 -3.461 -0.470 1.00 70.11 H new ATOM 0 HG23 ILE X 12 0.336 -1.944 -1.369 1.00 70.11 H new ATOM 0 HD11 ILE X 12 -3.683 -2.502 -3.880 1.00 24.34 H new ATOM 0 HD12 ILE X 12 -2.272 -3.497 -4.314 1.00 24.34 H new ATOM 0 HD13 ILE X 12 -3.434 -4.082 -3.100 1.00 24.34 H new ATOM 226 N ASP X 13 1.096 -5.776 -1.945 1.00 63.41 N ATOM 227 CA ASP X 13 2.340 -6.366 -1.377 1.00 21.14 C ATOM 228 C ASP X 13 3.409 -6.415 -2.470 1.00 62.13 C ATOM 229 O ASP X 13 4.567 -6.130 -2.236 1.00 30.12 O ATOM 230 CB ASP X 13 2.041 -7.784 -0.874 1.00 60.11 C ATOM 231 CG ASP X 13 1.182 -7.719 0.391 1.00 41.41 C ATOM 232 OD1 ASP X 13 0.989 -6.626 0.896 1.00 24.30 O ATOM 233 OD2 ASP X 13 0.733 -8.763 0.831 1.00 21.15 O ATOM 0 H ASP X 13 0.272 -6.374 -1.890 1.00 63.41 H new ATOM 0 HA ASP X 13 2.699 -5.759 -0.545 1.00 21.14 H new ATOM 0 HB2 ASP X 13 1.523 -8.351 -1.647 1.00 60.11 H new ATOM 0 HB3 ASP X 13 2.973 -8.309 -0.664 1.00 60.11 H new ATOM 238 N GLU X 14 3.024 -6.765 -3.669 1.00 22.41 N ATOM 239 CA GLU X 14 4.007 -6.807 -4.789 1.00 31.43 C ATOM 240 C GLU X 14 4.536 -5.394 -5.035 1.00 42.01 C ATOM 241 O GLU X 14 5.629 -5.205 -5.533 1.00 74.03 O ATOM 242 CB GLU X 14 3.317 -7.322 -6.057 1.00 74.51 C ATOM 243 CG GLU X 14 2.943 -8.798 -5.887 1.00 71.42 C ATOM 244 CD GLU X 14 2.180 -9.274 -7.127 1.00 4.10 C ATOM 245 OE1 GLU X 14 1.983 -8.469 -8.021 1.00 4.10 O ATOM 246 OE2 GLU X 14 1.806 -10.434 -7.158 1.00 40.13 O ATOM 0 H GLU X 14 2.070 -7.024 -3.920 1.00 22.41 H new ATOM 0 HA GLU X 14 4.831 -7.473 -4.533 1.00 31.43 H new ATOM 0 HB2 GLU X 14 2.423 -6.733 -6.259 1.00 74.51 H new ATOM 0 HB3 GLU X 14 3.978 -7.202 -6.915 1.00 74.51 H new ATOM 0 HG2 GLU X 14 3.842 -9.399 -5.746 1.00 71.42 H new ATOM 0 HG3 GLU X 14 2.329 -8.929 -4.996 1.00 71.42 H new ATOM 253 N ILE X 15 3.764 -4.397 -4.684 1.00 42.15 N ATOM 254 CA ILE X 15 4.219 -2.987 -4.875 1.00 70.32 C ATOM 255 C ILE X 15 5.027 -2.546 -3.651 1.00 52.54 C ATOM 256 O ILE X 15 5.993 -1.815 -3.760 1.00 64.24 O ATOM 257 CB ILE X 15 3.002 -2.065 -5.026 1.00 11.41 C ATOM 258 CG1 ILE X 15 2.459 -2.141 -6.457 1.00 53.34 C ATOM 259 CG2 ILE X 15 3.419 -0.626 -4.720 1.00 32.34 C ATOM 260 CD1 ILE X 15 1.600 -3.402 -6.611 1.00 64.11 C ATOM 0 H ILE X 15 2.836 -4.499 -4.273 1.00 42.15 H new ATOM 0 HA ILE X 15 4.836 -2.928 -5.772 1.00 70.32 H new ATOM 0 HB ILE X 15 2.224 -2.383 -4.332 1.00 11.41 H new ATOM 0 HG12 ILE X 15 1.866 -1.254 -6.680 1.00 53.34 H new ATOM 0 HG13 ILE X 15 3.283 -2.160 -7.170 1.00 53.34 H new ATOM 0 HG21 ILE X 15 2.557 0.033 -4.826 1.00 32.34 H new ATOM 0 HG22 ILE X 15 3.798 -0.566 -3.700 1.00 32.34 H new ATOM 0 HG23 ILE X 15 4.199 -0.318 -5.416 1.00 32.34 H new ATOM 0 HD11 ILE X 15 1.213 -3.457 -7.629 1.00 64.11 H new ATOM 0 HD12 ILE X 15 2.208 -4.283 -6.406 1.00 64.11 H new ATOM 0 HD13 ILE X 15 0.768 -3.363 -5.908 1.00 64.11 H new ATOM 272 N ASP X 16 4.635 -2.987 -2.488 1.00 1.41 N ATOM 273 CA ASP X 16 5.362 -2.598 -1.248 1.00 14.24 C ATOM 274 C ASP X 16 6.830 -3.020 -1.361 1.00 21.12 C ATOM 275 O ASP X 16 7.731 -2.235 -1.145 1.00 55.21 O ATOM 276 CB ASP X 16 4.705 -3.291 -0.047 1.00 11.34 C ATOM 277 CG ASP X 16 3.335 -2.665 0.232 1.00 20.42 C ATOM 278 OD1 ASP X 16 3.040 -1.650 -0.370 1.00 21.51 O ATOM 279 OD2 ASP X 16 2.610 -3.214 1.045 1.00 52.11 O ATOM 0 H ASP X 16 3.836 -3.605 -2.343 1.00 1.41 H new ATOM 0 HA ASP X 16 5.316 -1.517 -1.113 1.00 14.24 H new ATOM 0 HB2 ASP X 16 4.593 -4.357 -0.247 1.00 11.34 H new ATOM 0 HB3 ASP X 16 5.343 -3.197 0.832 1.00 11.34 H new ATOM 284 N ASN X 17 7.076 -4.257 -1.691 1.00 11.55 N ATOM 285 CA ASN X 17 8.482 -4.725 -1.857 1.00 31.14 C ATOM 286 C ASN X 17 9.141 -3.973 -3.016 1.00 52.35 C ATOM 287 O ASN X 17 10.323 -3.696 -2.999 1.00 32.13 O ATOM 288 CB ASN X 17 8.483 -6.221 -2.165 1.00 44.11 C ATOM 289 CG ASN X 17 8.017 -7.000 -0.933 1.00 61.33 C ATOM 290 OD1 ASN X 17 7.970 -6.469 0.161 1.00 45.44 O ATOM 291 ND2 ASN X 17 7.670 -8.255 -1.063 1.00 64.33 N ATOM 0 H ASN X 17 6.362 -4.967 -1.854 1.00 11.55 H new ATOM 0 HA ASN X 17 9.037 -4.536 -0.938 1.00 31.14 H new ATOM 0 HB2 ASN X 17 7.826 -6.429 -3.009 1.00 44.11 H new ATOM 0 HB3 ASN X 17 9.484 -6.542 -2.454 1.00 44.11 H new ATOM 0 HD21 ASN X 17 7.361 -8.786 -0.249 1.00 64.33 H new ATOM 0 HD22 ASN X 17 7.708 -8.703 -1.979 1.00 64.33 H new ATOM 298 N LYS X 18 8.379 -3.661 -4.032 1.00 1.21 N ATOM 299 CA LYS X 18 8.946 -2.947 -5.219 1.00 54.12 C ATOM 300 C LYS X 18 9.523 -1.589 -4.798 1.00 65.11 C ATOM 301 O LYS X 18 10.581 -1.193 -5.243 1.00 30.41 O ATOM 302 CB LYS X 18 7.829 -2.737 -6.250 1.00 42.22 C ATOM 303 CG LYS X 18 8.400 -2.146 -7.544 1.00 44.32 C ATOM 304 CD LYS X 18 7.261 -1.954 -8.556 1.00 51.33 C ATOM 305 CE LYS X 18 7.819 -1.405 -9.874 1.00 41.30 C ATOM 306 NZ LYS X 18 6.720 -1.311 -10.880 1.00 22.15 N ATOM 0 H LYS X 18 7.383 -3.871 -4.092 1.00 1.21 H new ATOM 0 HA LYS X 18 9.748 -3.545 -5.653 1.00 54.12 H new ATOM 0 HB2 LYS X 18 7.338 -3.687 -6.462 1.00 42.22 H new ATOM 0 HB3 LYS X 18 7.070 -2.070 -5.842 1.00 42.22 H new ATOM 0 HG2 LYS X 18 8.885 -1.192 -7.339 1.00 44.32 H new ATOM 0 HG3 LYS X 18 9.161 -2.809 -7.956 1.00 44.32 H new ATOM 0 HD2 LYS X 18 6.756 -2.904 -8.733 1.00 51.33 H new ATOM 0 HD3 LYS X 18 6.517 -1.268 -8.153 1.00 51.33 H new ATOM 0 HE2 LYS X 18 8.263 -0.423 -9.712 1.00 41.30 H new ATOM 0 HE3 LYS X 18 8.611 -2.056 -10.245 1.00 41.30 H new ATOM 0 HZ1 LYS X 18 6.958 -1.892 -11.709 1.00 22.15 H new ATOM 0 HZ2 LYS X 18 5.834 -1.655 -10.459 1.00 22.15 H new ATOM 0 HZ3 LYS X 18 6.602 -0.320 -11.173 1.00 22.15 H new ATOM 320 N ILE X 19 8.837 -0.866 -3.951 1.00 64.10 N ATOM 321 CA ILE X 19 9.350 0.470 -3.526 1.00 23.24 C ATOM 322 C ILE X 19 10.516 0.298 -2.545 1.00 73.11 C ATOM 323 O ILE X 19 11.379 1.147 -2.443 1.00 40.50 O ATOM 324 CB ILE X 19 8.221 1.257 -2.859 1.00 73.31 C ATOM 325 CG1 ILE X 19 8.777 2.575 -2.302 1.00 71.33 C ATOM 326 CG2 ILE X 19 7.612 0.427 -1.728 1.00 73.03 C ATOM 327 CD1 ILE X 19 9.071 2.430 -0.807 1.00 44.32 C ATOM 0 H ILE X 19 7.947 -1.142 -3.537 1.00 64.10 H new ATOM 0 HA ILE X 19 9.705 1.015 -4.401 1.00 23.24 H new ATOM 0 HB ILE X 19 7.446 1.476 -3.594 1.00 73.31 H new ATOM 0 HG12 ILE X 19 9.687 2.849 -2.835 1.00 71.33 H new ATOM 0 HG13 ILE X 19 8.059 3.379 -2.463 1.00 71.33 H new ATOM 0 HG21 ILE X 19 6.808 0.991 -1.255 1.00 73.03 H new ATOM 0 HG22 ILE X 19 7.213 -0.503 -2.133 1.00 73.03 H new ATOM 0 HG23 ILE X 19 8.380 0.201 -0.988 1.00 73.03 H new ATOM 0 HD11 ILE X 19 9.465 3.370 -0.421 1.00 44.32 H new ATOM 0 HD12 ILE X 19 8.152 2.177 -0.278 1.00 44.32 H new ATOM 0 HD13 ILE X 19 9.806 1.639 -0.656 1.00 44.32 H new ATOM 339 N LEU X 20 10.555 -0.793 -1.831 1.00 24.32 N ATOM 340 CA LEU X 20 11.677 -1.013 -0.872 1.00 24.32 C ATOM 341 C LEU X 20 12.932 -1.413 -1.659 1.00 3.21 C ATOM 342 O LEU X 20 14.040 -1.314 -1.168 1.00 52.12 O ATOM 343 CB LEU X 20 11.316 -2.144 0.099 1.00 61.32 C ATOM 344 CG LEU X 20 10.227 -1.686 1.076 1.00 52.11 C ATOM 345 CD1 LEU X 20 9.766 -2.884 1.907 1.00 42.33 C ATOM 346 CD2 LEU X 20 10.781 -0.610 2.015 1.00 1.53 C ATOM 0 H LEU X 20 9.862 -1.540 -1.869 1.00 24.32 H new ATOM 0 HA LEU X 20 11.859 -0.097 -0.310 1.00 24.32 H new ATOM 0 HB2 LEU X 20 10.970 -3.014 -0.459 1.00 61.32 H new ATOM 0 HB3 LEU X 20 12.203 -2.453 0.652 1.00 61.32 H new ATOM 0 HG LEU X 20 9.390 -1.274 0.512 1.00 52.11 H new ATOM 0 HD11 LEU X 20 8.991 -2.566 2.605 1.00 42.33 H new ATOM 0 HD12 LEU X 20 9.366 -3.653 1.246 1.00 42.33 H new ATOM 0 HD13 LEU X 20 10.612 -3.288 2.463 1.00 42.33 H new ATOM 0 HD21 LEU X 20 9.999 -0.292 2.705 1.00 1.53 H new ATOM 0 HD22 LEU X 20 11.620 -1.017 2.580 1.00 1.53 H new ATOM 0 HD23 LEU X 20 11.119 0.245 1.429 1.00 1.53 H new ATOM 358 N LYS X 21 12.765 -1.870 -2.874 1.00 51.41 N ATOM 359 CA LYS X 21 13.946 -2.287 -3.687 1.00 23.32 C ATOM 360 C LYS X 21 14.624 -1.046 -4.274 1.00 41.24 C ATOM 361 O LYS X 21 14.185 -0.498 -5.265 1.00 12.12 O ATOM 362 CB LYS X 21 13.488 -3.206 -4.826 1.00 1.20 C ATOM 363 CG LYS X 21 14.706 -3.751 -5.583 1.00 45.32 C ATOM 364 CD LYS X 21 14.241 -4.620 -6.754 1.00 53.01 C ATOM 365 CE LYS X 21 13.777 -5.985 -6.234 1.00 14.11 C ATOM 366 NZ LYS X 21 13.612 -6.927 -7.377 1.00 3.33 N ATOM 0 H LYS X 21 11.862 -1.972 -3.337 1.00 51.41 H new ATOM 0 HA LYS X 21 14.652 -2.822 -3.052 1.00 23.32 H new ATOM 0 HB2 LYS X 21 12.900 -4.031 -4.424 1.00 1.20 H new ATOM 0 HB3 LYS X 21 12.841 -2.657 -5.510 1.00 1.20 H new ATOM 0 HG2 LYS X 21 15.317 -2.926 -5.950 1.00 45.32 H new ATOM 0 HG3 LYS X 21 15.332 -4.336 -4.910 1.00 45.32 H new ATOM 0 HD2 LYS X 21 13.427 -4.126 -7.284 1.00 53.01 H new ATOM 0 HD3 LYS X 21 15.054 -4.750 -7.468 1.00 53.01 H new ATOM 0 HE2 LYS X 21 14.504 -6.381 -5.525 1.00 14.11 H new ATOM 0 HE3 LYS X 21 12.834 -5.880 -5.698 1.00 14.11 H new ATOM 0 HZ1 LYS X 21 13.297 -7.852 -7.022 1.00 3.33 H new ATOM 0 HZ2 LYS X 21 12.903 -6.550 -8.038 1.00 3.33 H new ATOM 0 HZ3 LYS X 21 14.521 -7.037 -7.870 1.00 3.33 H new ATOM 380 N ALA X 22 15.687 -0.595 -3.668 1.00 31.54 N ATOM 381 CA ALA X 22 16.390 0.613 -4.192 1.00 64.32 C ATOM 382 C ALA X 22 17.906 0.441 -4.060 1.00 54.30 C ATOM 383 O ALA X 22 18.643 1.401 -3.952 1.00 74.30 O ATOM 384 CB ALA X 22 15.936 1.843 -3.398 1.00 53.22 C ATOM 0 H ALA X 22 16.100 -1.009 -2.833 1.00 31.54 H new ATOM 0 HA ALA X 22 16.144 0.744 -5.246 1.00 64.32 H new ATOM 0 HB1 ALA X 22 16.446 2.729 -3.776 1.00 53.22 H new ATOM 0 HB2 ALA X 22 14.859 1.970 -3.508 1.00 53.22 H new ATOM 0 HB3 ALA X 22 16.180 1.706 -2.344 1.00 53.22 H new ATOM 390 N ARG X 23 18.379 -0.776 -4.071 1.00 53.34 N ATOM 391 CA ARG X 23 19.848 -1.013 -3.947 1.00 5.01 C ATOM 392 C ARG X 23 20.550 -0.607 -5.253 1.00 70.42 C ATOM 393 O ARG X 23 21.629 -0.048 -5.241 1.00 73.32 O ATOM 394 CB ARG X 23 20.106 -2.501 -3.650 1.00 23.53 C ATOM 395 CG ARG X 23 19.644 -2.837 -2.220 1.00 11.32 C ATOM 396 CD ARG X 23 19.840 -4.343 -1.937 1.00 32.35 C ATOM 397 NE ARG X 23 18.886 -5.136 -2.777 1.00 24.14 N ATOM 398 CZ ARG X 23 19.046 -6.432 -2.924 1.00 23.13 C ATOM 399 NH1 ARG X 23 20.044 -7.036 -2.343 1.00 3.14 N ATOM 400 NH2 ARG X 23 18.212 -7.123 -3.659 1.00 50.41 N ATOM 0 H ARG X 23 17.811 -1.619 -4.161 1.00 53.34 H new ATOM 0 HA ARG X 23 20.245 -0.412 -3.129 1.00 5.01 H new ATOM 0 HB2 ARG X 23 19.573 -3.122 -4.369 1.00 23.53 H new ATOM 0 HB3 ARG X 23 21.167 -2.724 -3.761 1.00 23.53 H new ATOM 0 HG2 ARG X 23 20.210 -2.247 -1.499 1.00 11.32 H new ATOM 0 HG3 ARG X 23 18.594 -2.570 -2.097 1.00 11.32 H new ATOM 0 HD2 ARG X 23 20.866 -4.635 -2.159 1.00 32.35 H new ATOM 0 HD3 ARG X 23 19.671 -4.551 -0.880 1.00 32.35 H new ATOM 0 HE ARG X 23 18.107 -4.667 -3.238 1.00 24.14 H new ATOM 0 HH11 ARG X 23 20.701 -6.503 -1.774 1.00 3.14 H new ATOM 0 HH12 ARG X 23 20.168 -8.042 -2.457 1.00 3.14 H new ATOM 0 HH21 ARG X 23 17.432 -6.656 -4.122 1.00 50.41 H new ATOM 0 HH22 ARG X 23 18.342 -8.129 -3.769 1.00 50.41 H new ATOM 414 N TRP X 24 19.944 -0.892 -6.377 1.00 72.12 N ATOM 415 CA TRP X 24 20.574 -0.535 -7.685 1.00 10.13 C ATOM 416 C TRP X 24 19.505 -0.012 -8.649 1.00 14.10 C ATOM 417 O TRP X 24 19.561 1.119 -9.086 1.00 12.03 O ATOM 418 CB TRP X 24 21.243 -1.772 -8.293 1.00 63.50 C ATOM 419 CG TRP X 24 22.730 -1.712 -8.104 1.00 41.34 C ATOM 420 CD1 TRP X 24 23.591 -1.013 -8.882 1.00 24.24 C ATOM 421 CD2 TRP X 24 23.538 -2.347 -7.071 1.00 45.10 C ATOM 422 NE1 TRP X 24 24.875 -1.183 -8.390 1.00 2.31 N ATOM 423 CE2 TRP X 24 24.894 -2.000 -7.277 1.00 12.53 C ATOM 424 CE3 TRP X 24 23.226 -3.191 -5.990 1.00 42.32 C ATOM 425 CZ2 TRP X 24 25.905 -2.465 -6.432 1.00 1.00 C ATOM 426 CZ3 TRP X 24 24.240 -3.661 -5.139 1.00 41.52 C ATOM 427 CH2 TRP X 24 25.577 -3.301 -5.361 1.00 63.21 C ATOM 0 H TRP X 24 19.039 -1.357 -6.446 1.00 72.12 H new ATOM 0 HA TRP X 24 21.324 0.239 -7.519 1.00 10.13 H new ATOM 0 HB2 TRP X 24 20.847 -2.674 -7.825 1.00 63.50 H new ATOM 0 HB3 TRP X 24 21.008 -1.835 -9.355 1.00 63.50 H new ATOM 0 HD1 TRP X 24 23.321 -0.421 -9.744 1.00 24.24 H new ATOM 0 HE1 TRP X 24 25.706 -0.756 -8.800 1.00 2.31 H new ATOM 0 HE3 TRP X 24 22.200 -3.480 -5.813 1.00 42.32 H new ATOM 0 HZ2 TRP X 24 26.932 -2.181 -6.605 1.00 1.00 H new ATOM 0 HZ3 TRP X 24 23.988 -4.304 -4.308 1.00 41.52 H new ATOM 0 HH2 TRP X 24 26.352 -3.669 -4.705 1.00 63.21 H new ATOM 438 N PRO X 25 18.552 -0.839 -8.996 1.00 33.11 N ATOM 439 CA PRO X 25 17.450 -0.460 -9.933 1.00 62.14 C ATOM 440 C PRO X 25 16.564 0.655 -9.383 1.00 0.42 C ATOM 441 O PRO X 25 16.358 0.769 -8.192 1.00 5.34 O ATOM 442 CB PRO X 25 16.644 -1.753 -10.091 1.00 30.53 C ATOM 443 CG PRO X 25 16.935 -2.532 -8.855 1.00 35.14 C ATOM 444 CD PRO X 25 18.402 -2.256 -8.527 1.00 5.53 C ATOM 0 HA PRO X 25 17.843 -0.070 -10.872 1.00 62.14 H new ATOM 0 HB2 PRO X 25 15.578 -1.546 -10.187 1.00 30.53 H new ATOM 0 HB3 PRO X 25 16.944 -2.301 -10.984 1.00 30.53 H new ATOM 0 HG2 PRO X 25 16.286 -2.223 -8.036 1.00 35.14 H new ATOM 0 HG3 PRO X 25 16.763 -3.597 -9.014 1.00 35.14 H new ATOM 0 HD2 PRO X 25 18.611 -2.360 -7.462 1.00 5.53 H new ATOM 0 HD3 PRO X 25 19.074 -2.935 -9.051 1.00 5.53 H new ATOM 452 N TRP X 26 16.032 1.481 -10.245 1.00 41.23 N ATOM 453 CA TRP X 26 15.160 2.595 -9.772 1.00 64.54 C ATOM 454 C TRP X 26 13.902 2.014 -9.123 1.00 15.24 C ATOM 455 O TRP X 26 13.329 1.058 -9.609 1.00 71.20 O ATOM 456 CB TRP X 26 14.760 3.474 -10.959 1.00 42.25 C ATOM 457 CG TRP X 26 14.263 4.791 -10.456 1.00 73.43 C ATOM 458 CD1 TRP X 26 12.963 5.161 -10.397 1.00 23.34 C ATOM 459 CD2 TRP X 26 15.034 5.914 -9.941 1.00 31.55 C ATOM 460 NE1 TRP X 26 12.887 6.442 -9.879 1.00 34.31 N ATOM 461 CE2 TRP X 26 14.138 6.948 -9.583 1.00 12.41 C ATOM 462 CE3 TRP X 26 16.410 6.132 -9.753 1.00 12.31 C ATOM 463 CZ2 TRP X 26 14.592 8.158 -9.057 1.00 61.04 C ATOM 464 CZ3 TRP X 26 16.871 7.348 -9.224 1.00 31.33 C ATOM 465 CH2 TRP X 26 15.963 8.359 -8.876 1.00 33.04 C ATOM 0 H TRP X 26 16.164 1.432 -11.255 1.00 41.23 H new ATOM 0 HA TRP X 26 15.704 3.197 -9.043 1.00 64.54 H new ATOM 0 HB2 TRP X 26 15.614 3.623 -11.619 1.00 42.25 H new ATOM 0 HB3 TRP X 26 13.986 2.981 -11.546 1.00 42.25 H new ATOM 0 HD1 TRP X 26 12.123 4.556 -10.704 1.00 23.34 H new ATOM 0 HE1 TRP X 26 12.015 6.950 -9.734 1.00 34.31 H new ATOM 0 HE3 TRP X 26 17.117 5.359 -10.017 1.00 12.31 H new ATOM 0 HZ2 TRP X 26 13.889 8.934 -8.792 1.00 61.04 H new ATOM 0 HZ3 TRP X 26 17.930 7.506 -9.084 1.00 31.33 H new ATOM 0 HH2 TRP X 26 16.323 9.292 -8.468 1.00 33.04 H new ATOM 476 N ALA X 27 13.468 2.578 -8.029 1.00 44.14 N ATOM 477 CA ALA X 27 12.254 2.046 -7.352 1.00 11.02 C ATOM 478 C ALA X 27 11.067 2.080 -8.318 1.00 24.13 C ATOM 479 O ALA X 27 10.311 1.134 -8.426 1.00 21.31 O ATOM 480 CB ALA X 27 11.942 2.904 -6.123 1.00 4.41 C ATOM 0 H ALA X 27 13.901 3.383 -7.576 1.00 44.14 H new ATOM 0 HA ALA X 27 12.433 1.017 -7.042 1.00 11.02 H new ATOM 0 HB1 ALA X 27 11.053 2.517 -5.625 1.00 4.41 H new ATOM 0 HB2 ALA X 27 12.786 2.874 -5.434 1.00 4.41 H new ATOM 0 HB3 ALA X 27 11.764 3.934 -6.434 1.00 4.41 H new ATOM 486 N GLU X 28 10.900 3.167 -9.021 1.00 53.10 N ATOM 487 CA GLU X 28 9.769 3.274 -9.987 1.00 44.13 C ATOM 488 C GLU X 28 8.491 2.770 -9.313 1.00 60.03 C ATOM 489 O GLU X 28 7.820 1.885 -9.807 1.00 42.45 O ATOM 490 CB GLU X 28 10.066 2.421 -11.223 1.00 2.13 C ATOM 491 CG GLU X 28 9.052 2.742 -12.325 1.00 13.34 C ATOM 492 CD GLU X 28 9.398 1.946 -13.585 1.00 63.53 C ATOM 493 OE1 GLU X 28 10.240 1.068 -13.495 1.00 11.13 O ATOM 494 OE2 GLU X 28 8.816 2.228 -14.619 1.00 60.30 O ATOM 0 H GLU X 28 11.501 3.989 -8.968 1.00 53.10 H new ATOM 0 HA GLU X 28 9.642 4.313 -10.291 1.00 44.13 H new ATOM 0 HB2 GLU X 28 11.078 2.617 -11.578 1.00 2.13 H new ATOM 0 HB3 GLU X 28 10.017 1.363 -10.967 1.00 2.13 H new ATOM 0 HG2 GLU X 28 8.045 2.494 -11.990 1.00 13.34 H new ATOM 0 HG3 GLU X 28 9.062 3.810 -12.543 1.00 13.34 H new ATOM 501 N LYS X 29 8.147 3.338 -8.188 1.00 72.12 N ATOM 502 CA LYS X 29 6.912 2.902 -7.476 1.00 1.31 C ATOM 503 C LYS X 29 5.702 3.122 -8.387 1.00 42.44 C ATOM 504 O LYS X 29 5.562 4.156 -9.010 1.00 63.31 O ATOM 505 CB LYS X 29 6.746 3.716 -6.186 1.00 11.04 C ATOM 506 CG LYS X 29 6.826 5.213 -6.501 1.00 4.11 C ATOM 507 CD LYS X 29 6.759 6.014 -5.196 1.00 45.44 C ATOM 508 CE LYS X 29 6.842 7.512 -5.504 1.00 1.23 C ATOM 509 NZ LYS X 29 6.798 8.288 -4.234 1.00 25.11 N ATOM 0 H LYS X 29 8.669 4.086 -7.731 1.00 72.12 H new ATOM 0 HA LYS X 29 6.989 1.845 -7.222 1.00 1.31 H new ATOM 0 HB2 LYS X 29 5.788 3.484 -5.720 1.00 11.04 H new ATOM 0 HB3 LYS X 29 7.523 3.444 -5.471 1.00 11.04 H new ATOM 0 HG2 LYS X 29 7.753 5.435 -7.029 1.00 4.11 H new ATOM 0 HG3 LYS X 29 6.007 5.501 -7.160 1.00 4.11 H new ATOM 0 HD2 LYS X 29 5.831 5.792 -4.669 1.00 45.44 H new ATOM 0 HD3 LYS X 29 7.577 5.723 -4.537 1.00 45.44 H new ATOM 0 HE2 LYS X 29 7.763 7.732 -6.044 1.00 1.23 H new ATOM 0 HE3 LYS X 29 6.015 7.807 -6.150 1.00 1.23 H new ATOM 0 HZ1 LYS X 29 6.855 9.305 -4.446 1.00 25.11 H new ATOM 0 HZ2 LYS X 29 5.908 8.087 -3.735 1.00 25.11 H new ATOM 0 HZ3 LYS X 29 7.601 8.015 -3.632 1.00 25.11 H new ATOM 523 N LEU X 30 4.820 2.160 -8.466 1.00 33.14 N ATOM 524 CA LEU X 30 3.621 2.323 -9.335 1.00 43.23 C ATOM 525 C LEU X 30 2.538 3.084 -8.564 1.00 4.24 C ATOM 526 O LEU X 30 1.724 2.497 -7.878 1.00 34.44 O ATOM 527 CB LEU X 30 3.096 0.944 -9.767 1.00 65.34 C ATOM 528 CG LEU X 30 4.209 0.142 -10.450 1.00 1.10 C ATOM 529 CD1 LEU X 30 3.678 -1.236 -10.843 1.00 41.00 C ATOM 530 CD2 LEU X 30 4.667 0.880 -11.713 1.00 35.33 C ATOM 0 H LEU X 30 4.879 1.272 -7.968 1.00 33.14 H new ATOM 0 HA LEU X 30 3.891 2.887 -10.228 1.00 43.23 H new ATOM 0 HB2 LEU X 30 2.727 0.399 -8.898 1.00 65.34 H new ATOM 0 HB3 LEU X 30 2.254 1.065 -10.449 1.00 65.34 H new ATOM 0 HG LEU X 30 5.047 0.030 -9.762 1.00 1.10 H new ATOM 0 HD11 LEU X 30 4.470 -1.806 -11.329 1.00 41.00 H new ATOM 0 HD12 LEU X 30 3.345 -1.766 -9.951 1.00 41.00 H new ATOM 0 HD13 LEU X 30 2.840 -1.121 -11.530 1.00 41.00 H new ATOM 0 HD21 LEU X 30 5.459 0.311 -12.200 1.00 35.33 H new ATOM 0 HD22 LEU X 30 3.825 0.988 -12.397 1.00 35.33 H new ATOM 0 HD23 LEU X 30 5.043 1.866 -11.442 1.00 35.33 H new ATOM 542 N ILE X 31 2.513 4.384 -8.681 1.00 13.34 N ATOM 543 CA ILE X 31 1.477 5.180 -7.958 1.00 64.14 C ATOM 544 C ILE X 31 0.088 4.805 -8.488 1.00 64.54 C ATOM 545 O ILE X 31 -0.850 4.634 -7.734 1.00 62.20 O ATOM 546 CB ILE X 31 1.720 6.676 -8.192 1.00 44.23 C ATOM 547 CG1 ILE X 31 3.024 7.094 -7.506 1.00 61.44 C ATOM 548 CG2 ILE X 31 0.555 7.478 -7.605 1.00 71.52 C ATOM 549 CD1 ILE X 31 3.423 8.500 -7.964 1.00 54.55 C ATOM 0 H ILE X 31 3.164 4.930 -9.245 1.00 13.34 H new ATOM 0 HA ILE X 31 1.535 4.965 -6.891 1.00 64.14 H new ATOM 0 HB ILE X 31 1.794 6.871 -9.262 1.00 44.23 H new ATOM 0 HG12 ILE X 31 2.898 7.076 -6.423 1.00 61.44 H new ATOM 0 HG13 ILE X 31 3.816 6.385 -7.747 1.00 61.44 H new ATOM 0 HG21 ILE X 31 0.726 8.542 -7.770 1.00 71.52 H new ATOM 0 HG22 ILE X 31 -0.374 7.180 -8.091 1.00 71.52 H new ATOM 0 HG23 ILE X 31 0.483 7.284 -6.535 1.00 71.52 H new ATOM 0 HD11 ILE X 31 4.351 8.793 -7.473 1.00 54.55 H new ATOM 0 HD12 ILE X 31 3.567 8.504 -9.044 1.00 54.55 H new ATOM 0 HD13 ILE X 31 2.635 9.206 -7.701 1.00 54.55 H new ATOM 561 N ALA X 32 -0.051 4.680 -9.780 1.00 11.53 N ATOM 562 CA ALA X 32 -1.378 4.330 -10.365 1.00 65.33 C ATOM 563 C ALA X 32 -1.837 2.969 -9.829 1.00 53.52 C ATOM 564 O ALA X 32 -2.918 2.839 -9.289 1.00 50.42 O ATOM 565 CB ALA X 32 -1.251 4.262 -11.888 1.00 32.50 C ATOM 0 H ALA X 32 0.700 4.806 -10.459 1.00 11.53 H new ATOM 0 HA ALA X 32 -2.110 5.089 -10.089 1.00 65.33 H new ATOM 0 HB1 ALA X 32 -2.217 4.007 -12.323 1.00 32.50 H new ATOM 0 HB2 ALA X 32 -0.926 5.230 -12.270 1.00 32.50 H new ATOM 0 HB3 ALA X 32 -0.519 3.501 -12.158 1.00 32.50 H new ATOM 571 N GLU X 33 -1.026 1.957 -9.973 1.00 12.14 N ATOM 572 CA GLU X 33 -1.418 0.607 -9.479 1.00 34.15 C ATOM 573 C GLU X 33 -1.843 0.707 -8.010 1.00 20.35 C ATOM 574 O GLU X 33 -2.852 0.163 -7.608 1.00 1.03 O ATOM 575 CB GLU X 33 -0.225 -0.347 -9.604 1.00 61.15 C ATOM 576 CG GLU X 33 -0.697 -1.796 -9.453 1.00 23.50 C ATOM 577 CD GLU X 33 -1.548 -2.188 -10.662 1.00 42.02 C ATOM 578 OE1 GLU X 33 -1.618 -1.401 -11.591 1.00 62.24 O ATOM 579 OE2 GLU X 33 -2.118 -3.267 -10.638 1.00 2.42 O ATOM 0 H GLU X 33 -0.107 2.007 -10.412 1.00 12.14 H new ATOM 0 HA GLU X 33 -2.250 0.227 -10.073 1.00 34.15 H new ATOM 0 HB2 GLU X 33 0.259 -0.212 -10.571 1.00 61.15 H new ATOM 0 HB3 GLU X 33 0.518 -0.116 -8.840 1.00 61.15 H new ATOM 0 HG2 GLU X 33 0.162 -2.462 -9.369 1.00 23.50 H new ATOM 0 HG3 GLU X 33 -1.277 -1.906 -8.537 1.00 23.50 H new ATOM 586 N ARG X 34 -1.084 1.403 -7.204 1.00 72.02 N ATOM 587 CA ARG X 34 -1.463 1.562 -5.767 1.00 40.04 C ATOM 588 C ARG X 34 -2.835 2.217 -5.679 1.00 13.35 C ATOM 589 O ARG X 34 -3.705 1.769 -4.963 1.00 44.33 O ATOM 590 CB ARG X 34 -0.423 2.447 -5.059 1.00 64.13 C ATOM 591 CG ARG X 34 -0.908 2.845 -3.654 1.00 70.43 C ATOM 592 CD ARG X 34 -1.067 1.598 -2.809 1.00 31.35 C ATOM 593 NE ARG X 34 -0.760 1.867 -1.355 1.00 20.42 N ATOM 594 CZ ARG X 34 -1.137 0.989 -0.484 1.00 54.30 C ATOM 595 NH1 ARG X 34 -1.800 -0.059 -0.888 1.00 52.41 N ATOM 596 NH2 ARG X 34 -0.843 1.134 0.779 1.00 45.20 N ATOM 0 H ARG X 34 -0.219 1.868 -7.478 1.00 72.02 H new ATOM 0 HA ARG X 34 -1.494 0.585 -5.285 1.00 40.04 H new ATOM 0 HB2 ARG X 34 0.524 1.913 -4.984 1.00 64.13 H new ATOM 0 HB3 ARG X 34 -0.238 3.343 -5.652 1.00 64.13 H new ATOM 0 HG2 ARG X 34 -0.194 3.525 -3.189 1.00 70.43 H new ATOM 0 HG3 ARG X 34 -1.857 3.377 -3.721 1.00 70.43 H new ATOM 0 HD2 ARG X 34 -2.086 1.222 -2.903 1.00 31.35 H new ATOM 0 HD3 ARG X 34 -0.404 0.818 -3.183 1.00 31.35 H new ATOM 0 HE ARG X 34 -0.270 2.715 -1.069 1.00 20.42 H new ATOM 0 HH11 ARG X 34 -2.014 -0.177 -1.878 1.00 52.41 H new ATOM 0 HH12 ARG X 34 -2.105 -0.761 -0.214 1.00 52.41 H new ATOM 0 HH21 ARG X 34 -0.310 1.947 1.089 1.00 45.20 H new ATOM 0 HH22 ARG X 34 -1.146 0.435 1.457 1.00 45.20 H new ATOM 610 N ASN X 35 -3.037 3.280 -6.410 1.00 61.23 N ATOM 611 CA ASN X 35 -4.358 3.957 -6.377 1.00 0.11 C ATOM 612 C ASN X 35 -5.409 3.048 -7.028 1.00 14.32 C ATOM 613 O ASN X 35 -6.522 2.920 -6.552 1.00 55.04 O ATOM 614 CB ASN X 35 -4.276 5.281 -7.144 1.00 42.43 C ATOM 615 CG ASN X 35 -5.670 5.898 -7.237 1.00 15.21 C ATOM 616 OD1 ASN X 35 -6.655 5.261 -6.914 1.00 72.22 O ATOM 617 ND2 ASN X 35 -5.798 7.118 -7.678 1.00 2.04 N ATOM 0 H ASN X 35 -2.344 3.705 -7.026 1.00 61.23 H new ATOM 0 HA ASN X 35 -4.640 4.158 -5.343 1.00 0.11 H new ATOM 0 HB2 ASN X 35 -3.596 5.966 -6.638 1.00 42.43 H new ATOM 0 HB3 ASN X 35 -3.873 5.112 -8.143 1.00 42.43 H new ATOM 0 HD21 ASN X 35 -6.724 7.539 -7.752 1.00 2.04 H new ATOM 0 HD22 ASN X 35 -4.972 7.652 -7.949 1.00 2.04 H new ATOM 624 N SER X 36 -5.063 2.405 -8.112 1.00 55.10 N ATOM 625 CA SER X 36 -6.041 1.511 -8.796 1.00 1.15 C ATOM 626 C SER X 36 -6.786 0.686 -7.743 1.00 53.53 C ATOM 627 O SER X 36 -7.889 1.010 -7.351 1.00 51.50 O ATOM 628 CB SER X 36 -5.288 0.571 -9.735 1.00 73.03 C ATOM 629 OG SER X 36 -4.520 -0.347 -8.967 1.00 70.44 O ATOM 0 H SER X 36 -4.145 2.461 -8.553 1.00 55.10 H new ATOM 0 HA SER X 36 -6.753 2.107 -9.367 1.00 1.15 H new ATOM 0 HB2 SER X 36 -5.992 0.032 -10.369 1.00 73.03 H new ATOM 0 HB3 SER X 36 -4.637 1.144 -10.396 1.00 73.03 H new ATOM 0 HG SER X 36 -4.028 0.139 -8.273 1.00 70.44 H new ATOM 635 N LEU X 37 -6.187 -0.383 -7.283 1.00 22.01 N ATOM 636 CA LEU X 37 -6.850 -1.225 -6.244 1.00 1.22 C ATOM 637 C LEU X 37 -7.576 -0.320 -5.240 1.00 10.02 C ATOM 638 O LEU X 37 -8.707 -0.562 -4.870 1.00 14.53 O ATOM 639 CB LEU X 37 -5.801 -2.038 -5.476 1.00 40.04 C ATOM 640 CG LEU X 37 -5.282 -3.225 -6.306 1.00 2.42 C ATOM 641 CD1 LEU X 37 -6.442 -4.082 -6.811 1.00 53.04 C ATOM 642 CD2 LEU X 37 -4.472 -2.706 -7.496 1.00 2.43 C ATOM 0 H LEU X 37 -5.268 -0.708 -7.582 1.00 22.01 H new ATOM 0 HA LEU X 37 -7.554 -1.895 -6.737 1.00 1.22 H new ATOM 0 HB2 LEU X 37 -4.967 -1.391 -5.204 1.00 40.04 H new ATOM 0 HB3 LEU X 37 -6.235 -2.406 -4.546 1.00 40.04 H new ATOM 0 HG LEU X 37 -4.647 -3.841 -5.669 1.00 2.42 H new ATOM 0 HD11 LEU X 37 -6.051 -4.915 -7.395 1.00 53.04 H new ATOM 0 HD12 LEU X 37 -7.006 -4.467 -5.962 1.00 53.04 H new ATOM 0 HD13 LEU X 37 -7.097 -3.476 -7.437 1.00 53.04 H new ATOM 0 HD21 LEU X 37 -4.106 -3.549 -8.082 1.00 2.43 H new ATOM 0 HD22 LEU X 37 -5.106 -2.077 -8.121 1.00 2.43 H new ATOM 0 HD23 LEU X 37 -3.626 -2.121 -7.133 1.00 2.43 H new ATOM 654 N ALA X 38 -6.914 0.709 -4.780 1.00 52.33 N ATOM 655 CA ALA X 38 -7.531 1.620 -3.766 1.00 55.24 C ATOM 656 C ALA X 38 -8.991 1.919 -4.123 1.00 43.21 C ATOM 657 O ALA X 38 -9.872 1.835 -3.292 1.00 2.41 O ATOM 658 CB ALA X 38 -6.751 2.934 -3.726 1.00 2.34 C ATOM 0 H ALA X 38 -5.967 0.960 -5.064 1.00 52.33 H new ATOM 0 HA ALA X 38 -7.498 1.130 -2.793 1.00 55.24 H new ATOM 0 HB1 ALA X 38 -7.198 3.600 -2.988 1.00 2.34 H new ATOM 0 HB2 ALA X 38 -5.715 2.734 -3.454 1.00 2.34 H new ATOM 0 HB3 ALA X 38 -6.783 3.406 -4.708 1.00 2.34 H new ATOM 664 N LYS X 39 -9.249 2.281 -5.349 1.00 51.35 N ATOM 665 CA LYS X 39 -10.652 2.565 -5.766 1.00 14.11 C ATOM 666 C LYS X 39 -11.492 1.284 -5.697 1.00 15.30 C ATOM 667 O LYS X 39 -12.571 1.269 -5.139 1.00 51.01 O ATOM 668 CB LYS X 39 -10.645 3.098 -7.201 1.00 14.03 C ATOM 669 CG LYS X 39 -12.081 3.144 -7.740 1.00 21.04 C ATOM 670 CD LYS X 39 -12.461 1.775 -8.310 1.00 32.12 C ATOM 671 CE LYS X 39 -13.075 1.947 -9.702 1.00 71.54 C ATOM 672 NZ LYS X 39 -12.016 2.353 -10.671 1.00 22.11 N ATOM 0 H LYS X 39 -8.548 2.393 -6.082 1.00 51.35 H new ATOM 0 HA LYS X 39 -11.087 3.306 -5.096 1.00 14.11 H new ATOM 0 HB2 LYS X 39 -10.204 4.094 -7.227 1.00 14.03 H new ATOM 0 HB3 LYS X 39 -10.029 2.460 -7.834 1.00 14.03 H new ATOM 0 HG2 LYS X 39 -12.771 3.421 -6.943 1.00 21.04 H new ATOM 0 HG3 LYS X 39 -12.165 3.907 -8.514 1.00 21.04 H new ATOM 0 HD2 LYS X 39 -11.579 1.137 -8.367 1.00 32.12 H new ATOM 0 HD3 LYS X 39 -13.171 1.279 -7.648 1.00 32.12 H new ATOM 0 HE2 LYS X 39 -13.538 1.014 -10.024 1.00 71.54 H new ATOM 0 HE3 LYS X 39 -13.863 2.700 -9.672 1.00 71.54 H new ATOM 0 HZ1 LYS X 39 -12.326 2.130 -11.638 1.00 22.11 H new ATOM 0 HZ2 LYS X 39 -11.845 3.376 -10.590 1.00 22.11 H new ATOM 0 HZ3 LYS X 39 -11.138 1.837 -10.462 1.00 22.11 H new ATOM 686 N ASP X 40 -11.008 0.213 -6.260 1.00 34.42 N ATOM 687 CA ASP X 40 -11.783 -1.058 -6.233 1.00 32.52 C ATOM 688 C ASP X 40 -11.999 -1.493 -4.780 1.00 14.00 C ATOM 689 O ASP X 40 -13.054 -1.978 -4.419 1.00 34.33 O ATOM 690 CB ASP X 40 -10.995 -2.136 -6.985 1.00 53.03 C ATOM 691 CG ASP X 40 -11.065 -1.864 -8.490 1.00 55.24 C ATOM 692 OD1 ASP X 40 -11.934 -1.109 -8.896 1.00 2.04 O ATOM 693 OD2 ASP X 40 -10.250 -2.414 -9.211 1.00 35.04 O ATOM 0 H ASP X 40 -10.108 0.163 -6.738 1.00 34.42 H new ATOM 0 HA ASP X 40 -12.752 -0.913 -6.710 1.00 32.52 H new ATOM 0 HB2 ASP X 40 -9.957 -2.140 -6.653 1.00 53.03 H new ATOM 0 HB3 ASP X 40 -11.404 -3.122 -6.763 1.00 53.03 H new ATOM 698 N VAL X 41 -11.011 -1.321 -3.945 1.00 65.22 N ATOM 699 CA VAL X 41 -11.159 -1.723 -2.518 1.00 12.21 C ATOM 700 C VAL X 41 -12.306 -0.928 -1.898 1.00 5.34 C ATOM 701 O VAL X 41 -13.145 -1.466 -1.201 1.00 13.04 O ATOM 702 CB VAL X 41 -9.859 -1.420 -1.767 1.00 0.52 C ATOM 703 CG1 VAL X 41 -10.081 -1.602 -0.265 1.00 52.23 C ATOM 704 CG2 VAL X 41 -8.758 -2.375 -2.238 1.00 21.13 C ATOM 0 H VAL X 41 -10.106 -0.919 -4.190 1.00 65.22 H new ATOM 0 HA VAL X 41 -11.372 -2.790 -2.452 1.00 12.21 H new ATOM 0 HB VAL X 41 -9.558 -0.392 -1.969 1.00 0.52 H new ATOM 0 HG11 VAL X 41 -9.155 -1.386 0.268 1.00 52.23 H new ATOM 0 HG12 VAL X 41 -10.862 -0.920 0.073 1.00 52.23 H new ATOM 0 HG13 VAL X 41 -10.384 -2.629 -0.064 1.00 52.23 H new ATOM 0 HG21 VAL X 41 -7.834 -2.157 -1.702 1.00 21.13 H new ATOM 0 HG22 VAL X 41 -9.059 -3.404 -2.039 1.00 21.13 H new ATOM 0 HG23 VAL X 41 -8.596 -2.244 -3.308 1.00 21.13 H new ATOM 714 N ALA X 42 -12.348 0.350 -2.150 1.00 4.32 N ATOM 715 CA ALA X 42 -13.440 1.192 -1.583 1.00 54.02 C ATOM 716 C ALA X 42 -14.783 0.507 -1.845 1.00 54.21 C ATOM 717 O ALA X 42 -15.614 0.389 -0.966 1.00 22.44 O ATOM 718 CB ALA X 42 -13.420 2.567 -2.255 1.00 4.44 C ATOM 0 H ALA X 42 -11.671 0.850 -2.726 1.00 4.32 H new ATOM 0 HA ALA X 42 -13.297 1.316 -0.510 1.00 54.02 H new ATOM 0 HB1 ALA X 42 -14.217 3.185 -1.843 1.00 4.44 H new ATOM 0 HB2 ALA X 42 -12.458 3.047 -2.074 1.00 4.44 H new ATOM 0 HB3 ALA X 42 -13.570 2.450 -3.328 1.00 4.44 H new ATOM 724 N GLU X 43 -14.992 0.046 -3.048 1.00 64.53 N ATOM 725 CA GLU X 43 -16.271 -0.642 -3.379 1.00 1.42 C ATOM 726 C GLU X 43 -16.503 -1.775 -2.376 1.00 44.31 C ATOM 727 O GLU X 43 -17.466 -1.777 -1.635 1.00 32.33 O ATOM 728 CB GLU X 43 -16.181 -1.226 -4.794 1.00 2.31 C ATOM 729 CG GLU X 43 -17.507 -1.892 -5.169 1.00 34.32 C ATOM 730 CD GLU X 43 -17.441 -2.394 -6.613 1.00 53.12 C ATOM 731 OE1 GLU X 43 -16.352 -2.422 -7.161 1.00 10.31 O ATOM 732 OE2 GLU X 43 -18.481 -2.738 -7.146 1.00 2.21 O ATOM 0 H GLU X 43 -14.328 0.117 -3.819 1.00 64.53 H new ATOM 0 HA GLU X 43 -17.096 0.068 -3.330 1.00 1.42 H new ATOM 0 HB2 GLU X 43 -15.946 -0.437 -5.508 1.00 2.31 H new ATOM 0 HB3 GLU X 43 -15.371 -1.954 -4.845 1.00 2.31 H new ATOM 0 HG2 GLU X 43 -17.712 -2.723 -4.494 1.00 34.32 H new ATOM 0 HG3 GLU X 43 -18.326 -1.182 -5.058 1.00 34.32 H new ATOM 739 N ILE X 44 -15.620 -2.739 -2.349 1.00 4.10 N ATOM 740 CA ILE X 44 -15.783 -3.881 -1.401 1.00 0.14 C ATOM 741 C ILE X 44 -16.059 -3.340 0.004 1.00 12.34 C ATOM 742 O ILE X 44 -16.836 -3.900 0.754 1.00 74.11 O ATOM 743 CB ILE X 44 -14.496 -4.708 -1.365 1.00 71.42 C ATOM 744 CG1 ILE X 44 -14.424 -5.643 -2.581 1.00 72.02 C ATOM 745 CG2 ILE X 44 -14.454 -5.534 -0.080 1.00 51.55 C ATOM 746 CD1 ILE X 44 -14.696 -4.862 -3.868 1.00 60.31 C ATOM 0 H ILE X 44 -14.792 -2.785 -2.943 1.00 4.10 H new ATOM 0 HA ILE X 44 -16.614 -4.504 -1.732 1.00 0.14 H new ATOM 0 HB ILE X 44 -13.643 -4.030 -1.393 1.00 71.42 H new ATOM 0 HG12 ILE X 44 -13.440 -6.110 -2.632 1.00 72.02 H new ATOM 0 HG13 ILE X 44 -15.153 -6.446 -2.474 1.00 72.02 H new ATOM 0 HG21 ILE X 44 -13.537 -6.123 -0.056 1.00 51.55 H new ATOM 0 HG22 ILE X 44 -14.480 -4.867 0.782 1.00 51.55 H new ATOM 0 HG23 ILE X 44 -15.315 -6.202 -0.049 1.00 51.55 H new ATOM 0 HD11 ILE X 44 -14.642 -5.537 -4.722 1.00 60.31 H new ATOM 0 HD12 ILE X 44 -15.690 -4.417 -3.820 1.00 60.31 H new ATOM 0 HD13 ILE X 44 -13.951 -4.075 -3.980 1.00 60.31 H new ATOM 758 N LYS X 45 -15.428 -2.253 0.367 1.00 1.40 N ATOM 759 CA LYS X 45 -15.620 -1.695 1.740 1.00 21.12 C ATOM 760 C LYS X 45 -17.095 -1.327 1.930 1.00 34.31 C ATOM 761 O LYS X 45 -17.696 -1.617 2.945 1.00 34.40 O ATOM 762 CB LYS X 45 -14.756 -0.438 1.915 1.00 33.24 C ATOM 763 CG LYS X 45 -13.271 -0.808 1.817 1.00 10.51 C ATOM 764 CD LYS X 45 -12.753 -1.222 3.200 1.00 23.05 C ATOM 765 CE LYS X 45 -11.219 -1.253 3.195 1.00 51.11 C ATOM 766 NZ LYS X 45 -10.691 0.103 2.867 1.00 55.14 N ATOM 0 H LYS X 45 -14.788 -1.727 -0.228 1.00 1.40 H new ATOM 0 HA LYS X 45 -15.325 -2.440 2.479 1.00 21.12 H new ATOM 0 HB2 LYS X 45 -15.008 0.297 1.150 1.00 33.24 H new ATOM 0 HB3 LYS X 45 -14.962 0.024 2.881 1.00 33.24 H new ATOM 0 HG2 LYS X 45 -13.135 -1.624 1.107 1.00 10.51 H new ATOM 0 HG3 LYS X 45 -12.698 0.040 1.442 1.00 10.51 H new ATOM 0 HD2 LYS X 45 -13.109 -0.522 3.956 1.00 23.05 H new ATOM 0 HD3 LYS X 45 -13.144 -2.204 3.466 1.00 23.05 H new ATOM 0 HE2 LYS X 45 -10.849 -1.572 4.169 1.00 51.11 H new ATOM 0 HE3 LYS X 45 -10.862 -1.979 2.465 1.00 51.11 H new ATOM 0 HZ1 LYS X 45 -9.653 0.068 2.814 1.00 55.14 H new ATOM 0 HZ2 LYS X 45 -11.074 0.412 1.951 1.00 55.14 H new ATOM 0 HZ3 LYS X 45 -10.977 0.775 3.607 1.00 55.14 H new ATOM 780 N ASN X 46 -17.683 -0.695 0.951 1.00 43.54 N ATOM 781 CA ASN X 46 -19.119 -0.317 1.050 1.00 12.52 C ATOM 782 C ASN X 46 -19.959 -1.589 1.150 1.00 21.15 C ATOM 783 O ASN X 46 -20.939 -1.649 1.868 1.00 23.45 O ATOM 784 CB ASN X 46 -19.509 0.470 -0.202 1.00 15.12 C ATOM 785 CG ASN X 46 -20.979 0.885 -0.125 1.00 62.51 C ATOM 786 OD1 ASN X 46 -21.433 1.388 0.883 1.00 15.43 O ATOM 787 ND2 ASN X 46 -21.748 0.700 -1.165 1.00 0.30 N ATOM 0 H ASN X 46 -17.225 -0.423 0.081 1.00 43.54 H new ATOM 0 HA ASN X 46 -19.291 0.299 1.933 1.00 12.52 H new ATOM 0 HB2 ASN X 46 -18.878 1.354 -0.297 1.00 15.12 H new ATOM 0 HB3 ASN X 46 -19.341 -0.138 -1.091 1.00 15.12 H new ATOM 0 HD21 ASN X 46 -22.729 0.978 -1.130 1.00 0.30 H new ATOM 0 HD22 ASN X 46 -21.368 0.278 -2.012 1.00 0.30 H new ATOM 794 N GLN X 47 -19.572 -2.616 0.442 1.00 12.45 N ATOM 795 CA GLN X 47 -20.342 -3.889 0.491 1.00 32.30 C ATOM 796 C GLN X 47 -20.043 -4.602 1.817 1.00 53.32 C ATOM 797 O GLN X 47 -20.733 -5.524 2.205 1.00 11.43 O ATOM 798 CB GLN X 47 -19.940 -4.776 -0.694 1.00 4.42 C ATOM 799 CG GLN X 47 -19.121 -5.969 -0.198 1.00 51.23 C ATOM 800 CD GLN X 47 -18.589 -6.761 -1.397 1.00 11.44 C ATOM 801 OE1 GLN X 47 -17.358 -7.198 -1.379 1.00 32.55 O flip ATOM 802 NE2 GLN X 47 -19.300 -6.982 -2.357 1.00 52.11 N flip ATOM 0 H GLN X 47 -18.755 -2.627 -0.168 1.00 12.45 H new ATOM 0 HA GLN X 47 -21.410 -3.683 0.427 1.00 32.30 H new ATOM 0 HB2 GLN X 47 -20.831 -5.127 -1.215 1.00 4.42 H new ATOM 0 HB3 GLN X 47 -19.358 -4.197 -1.411 1.00 4.42 H new ATOM 0 HG2 GLN X 47 -18.292 -5.623 0.419 1.00 51.23 H new ATOM 0 HG3 GLN X 47 -19.739 -6.611 0.430 1.00 51.23 H new ATOM 0 HE21 GLN X 47 -20.261 -6.640 -2.369 1.00 52.11 H new ATOM 0 HE22 GLN X 47 -18.936 -7.509 -3.151 1.00 52.11 H new ATOM 811 N LEU X 48 -19.031 -4.163 2.522 1.00 23.41 N ATOM 812 CA LEU X 48 -18.701 -4.791 3.836 1.00 23.21 C ATOM 813 C LEU X 48 -19.382 -3.990 4.951 1.00 23.21 C ATOM 814 O LEU X 48 -19.318 -4.340 6.113 1.00 42.10 O ATOM 815 CB LEU X 48 -17.183 -4.774 4.066 1.00 54.43 C ATOM 816 CG LEU X 48 -16.498 -5.831 3.192 1.00 21.10 C ATOM 817 CD1 LEU X 48 -14.985 -5.605 3.224 1.00 62.21 C ATOM 818 CD2 LEU X 48 -16.807 -7.232 3.728 1.00 63.20 C ATOM 0 H LEU X 48 -18.419 -3.396 2.243 1.00 23.41 H new ATOM 0 HA LEU X 48 -19.051 -5.823 3.839 1.00 23.21 H new ATOM 0 HB2 LEU X 48 -16.785 -3.787 3.833 1.00 54.43 H new ATOM 0 HB3 LEU X 48 -16.966 -4.966 5.117 1.00 54.43 H new ATOM 0 HG LEU X 48 -16.868 -5.747 2.170 1.00 21.10 H new ATOM 0 HD11 LEU X 48 -14.492 -6.354 2.604 1.00 62.21 H new ATOM 0 HD12 LEU X 48 -14.758 -4.610 2.841 1.00 62.21 H new ATOM 0 HD13 LEU X 48 -14.626 -5.690 4.250 1.00 62.21 H new ATOM 0 HD21 LEU X 48 -16.317 -7.977 3.102 1.00 63.20 H new ATOM 0 HD22 LEU X 48 -16.440 -7.319 4.751 1.00 63.20 H new ATOM 0 HD23 LEU X 48 -17.884 -7.398 3.714 1.00 63.20 H new ATOM 830 N GLY X 49 -20.038 -2.917 4.598 1.00 31.51 N ATOM 831 CA GLY X 49 -20.741 -2.085 5.620 1.00 52.23 C ATOM 832 C GLY X 49 -19.774 -1.658 6.733 1.00 24.13 C ATOM 833 O GLY X 49 -20.039 -1.862 7.900 1.00 73.55 O ATOM 0 H GLY X 49 -20.118 -2.578 3.639 1.00 31.51 H new ATOM 0 HA2 GLY X 49 -21.169 -1.202 5.145 1.00 52.23 H new ATOM 0 HA3 GLY X 49 -21.569 -2.650 6.048 1.00 52.23 H new ATOM 837 N ILE X 50 -18.666 -1.051 6.392 1.00 13.34 N ATOM 838 CA ILE X 50 -17.712 -0.596 7.451 1.00 11.33 C ATOM 839 C ILE X 50 -17.011 0.686 7.003 1.00 31.52 C ATOM 840 O ILE X 50 -16.980 1.009 5.834 1.00 24.14 O ATOM 841 CB ILE X 50 -16.660 -1.674 7.721 1.00 63.42 C ATOM 842 CG1 ILE X 50 -16.326 -2.427 6.429 1.00 11.22 C ATOM 843 CG2 ILE X 50 -17.200 -2.659 8.758 1.00 32.03 C ATOM 844 CD1 ILE X 50 -15.698 -1.468 5.414 1.00 5.54 C ATOM 0 H ILE X 50 -18.381 -0.851 5.433 1.00 13.34 H new ATOM 0 HA ILE X 50 -18.276 -0.408 8.365 1.00 11.33 H new ATOM 0 HB ILE X 50 -15.754 -1.199 8.097 1.00 63.42 H new ATOM 0 HG12 ILE X 50 -15.639 -3.246 6.642 1.00 11.22 H new ATOM 0 HG13 ILE X 50 -17.230 -2.870 6.012 1.00 11.22 H new ATOM 0 HG21 ILE X 50 -16.453 -3.428 8.953 1.00 32.03 H new ATOM 0 HG22 ILE X 50 -17.423 -2.127 9.683 1.00 32.03 H new ATOM 0 HG23 ILE X 50 -18.110 -3.124 8.379 1.00 32.03 H new ATOM 0 HD11 ILE X 50 -15.463 -2.010 4.498 1.00 5.54 H new ATOM 0 HD12 ILE X 50 -16.400 -0.664 5.190 1.00 5.54 H new ATOM 0 HD13 ILE X 50 -14.783 -1.046 5.830 1.00 5.54 H new ATOM 856 N PRO X 51 -16.469 1.417 7.938 1.00 60.05 N ATOM 857 CA PRO X 51 -15.749 2.697 7.659 1.00 1.24 C ATOM 858 C PRO X 51 -14.607 2.542 6.654 1.00 42.22 C ATOM 859 O PRO X 51 -13.874 1.571 6.674 1.00 64.40 O ATOM 860 CB PRO X 51 -15.215 3.116 9.030 1.00 10.33 C ATOM 861 CG PRO X 51 -16.153 2.490 10.004 1.00 22.02 C ATOM 862 CD PRO X 51 -16.498 1.127 9.406 1.00 33.50 C ATOM 0 HA PRO X 51 -16.410 3.433 7.201 1.00 1.24 H new ATOM 0 HB2 PRO X 51 -14.194 2.766 9.182 1.00 10.33 H new ATOM 0 HB3 PRO X 51 -15.199 4.201 9.135 1.00 10.33 H new ATOM 0 HG2 PRO X 51 -15.690 2.384 10.985 1.00 22.02 H new ATOM 0 HG3 PRO X 51 -17.047 3.099 10.138 1.00 22.02 H new ATOM 0 HD2 PRO X 51 -15.773 0.363 9.686 1.00 33.50 H new ATOM 0 HD3 PRO X 51 -17.476 0.773 9.733 1.00 33.50 H new ATOM 870 N ILE X 52 -14.451 3.499 5.781 1.00 14.31 N ATOM 871 CA ILE X 52 -13.358 3.431 4.771 1.00 61.11 C ATOM 872 C ILE X 52 -12.009 3.510 5.484 1.00 41.22 C ATOM 873 O ILE X 52 -11.082 2.794 5.161 1.00 73.41 O ATOM 874 CB ILE X 52 -13.493 4.611 3.804 1.00 73.23 C ATOM 875 CG1 ILE X 52 -14.899 4.608 3.199 1.00 14.14 C ATOM 876 CG2 ILE X 52 -12.452 4.486 2.688 1.00 4.13 C ATOM 877 CD1 ILE X 52 -15.119 5.892 2.397 1.00 11.52 C ATOM 0 H ILE X 52 -15.038 4.331 5.724 1.00 14.31 H new ATOM 0 HA ILE X 52 -13.424 2.495 4.217 1.00 61.11 H new ATOM 0 HB ILE X 52 -13.328 5.544 4.342 1.00 73.23 H new ATOM 0 HG12 ILE X 52 -15.026 3.739 2.554 1.00 14.14 H new ATOM 0 HG13 ILE X 52 -15.645 4.529 3.990 1.00 14.14 H new ATOM 0 HG21 ILE X 52 -12.551 5.327 2.002 1.00 4.13 H new ATOM 0 HG22 ILE X 52 -11.452 4.487 3.122 1.00 4.13 H new ATOM 0 HG23 ILE X 52 -12.611 3.554 2.145 1.00 4.13 H new ATOM 0 HD11 ILE X 52 -16.121 5.886 1.968 1.00 11.52 H new ATOM 0 HD12 ILE X 52 -15.011 6.755 3.054 1.00 11.52 H new ATOM 0 HD13 ILE X 52 -14.382 5.952 1.596 1.00 11.52 H new ATOM 889 N ASN X 53 -11.890 4.379 6.448 1.00 60.42 N ATOM 890 CA ASN X 53 -10.602 4.499 7.179 1.00 61.31 C ATOM 891 C ASN X 53 -10.351 3.233 7.998 1.00 11.44 C ATOM 892 O ASN X 53 -11.206 2.767 8.725 1.00 10.11 O ATOM 893 CB ASN X 53 -10.640 5.703 8.117 1.00 61.45 C ATOM 894 CG ASN X 53 -9.207 6.187 8.342 1.00 61.14 C ATOM 895 OD1 ASN X 53 -8.264 5.313 8.577 1.00 45.05 O flip ATOM 896 ND2 ASN X 53 -8.934 7.373 8.280 1.00 51.40 N flip ATOM 0 H ASN X 53 -12.629 5.010 6.760 1.00 60.42 H new ATOM 0 HA ASN X 53 -9.800 4.632 6.453 1.00 61.31 H new ATOM 0 HB2 ASN X 53 -11.246 6.500 7.686 1.00 61.45 H new ATOM 0 HB3 ASN X 53 -11.101 5.430 9.066 1.00 61.45 H new ATOM 0 HD21 ASN X 53 -9.669 8.057 8.097 1.00 51.40 H new ATOM 0 HD22 ASN X 53 -7.971 7.682 8.411 1.00 51.40 H new ATOM 903 N ASP X 54 -9.183 2.666 7.878 1.00 24.32 N ATOM 904 CA ASP X 54 -8.884 1.425 8.634 1.00 12.14 C ATOM 905 C ASP X 54 -7.397 1.388 9.001 1.00 12.35 C ATOM 906 O ASP X 54 -6.617 0.670 8.403 1.00 43.33 O ATOM 907 CB ASP X 54 -9.227 0.215 7.770 1.00 21.32 C ATOM 908 CG ASP X 54 -10.745 0.063 7.675 1.00 1.13 C ATOM 909 OD1 ASP X 54 -11.406 0.247 8.681 1.00 5.43 O ATOM 910 OD2 ASP X 54 -11.221 -0.231 6.590 1.00 32.35 O ATOM 0 H ASP X 54 -8.425 3.010 7.289 1.00 24.32 H new ATOM 0 HA ASP X 54 -9.478 1.404 9.547 1.00 12.14 H new ATOM 0 HB2 ASP X 54 -8.801 0.335 6.774 1.00 21.32 H new ATOM 0 HB3 ASP X 54 -8.788 -0.686 8.198 1.00 21.32 H new ATOM 915 N PRO X 55 -7.020 2.140 10.002 1.00 21.03 N ATOM 916 CA PRO X 55 -5.605 2.215 10.470 1.00 21.34 C ATOM 917 C PRO X 55 -5.095 0.825 10.861 1.00 33.41 C ATOM 918 O PRO X 55 -4.056 0.380 10.413 1.00 61.14 O ATOM 919 CB PRO X 55 -5.673 3.132 11.701 1.00 62.42 C ATOM 920 CG PRO X 55 -7.108 3.126 12.110 1.00 42.13 C ATOM 921 CD PRO X 55 -7.913 2.998 10.822 1.00 2.25 C ATOM 0 HA PRO X 55 -4.925 2.587 9.704 1.00 21.34 H new ATOM 0 HB2 PRO X 55 -5.033 2.764 12.503 1.00 62.42 H new ATOM 0 HB3 PRO X 55 -5.335 4.140 11.461 1.00 62.42 H new ATOM 0 HG2 PRO X 55 -7.318 2.296 12.785 1.00 42.13 H new ATOM 0 HG3 PRO X 55 -7.366 4.042 12.642 1.00 42.13 H new ATOM 0 HD2 PRO X 55 -8.886 2.536 10.990 1.00 2.25 H new ATOM 0 HD3 PRO X 55 -8.096 3.965 10.354 1.00 2.25 H new ATOM 929 N GLU X 56 -5.833 0.132 11.682 1.00 63.51 N ATOM 930 CA GLU X 56 -5.428 -1.245 12.064 1.00 3.53 C ATOM 931 C GLU X 56 -4.593 -1.842 10.929 1.00 54.40 C ATOM 932 O GLU X 56 -3.405 -2.064 11.065 1.00 23.54 O ATOM 933 CB GLU X 56 -6.682 -2.095 12.280 1.00 51.32 C ATOM 934 CG GLU X 56 -7.412 -1.618 13.540 1.00 74.14 C ATOM 935 CD GLU X 56 -8.711 -2.413 13.713 1.00 65.41 C ATOM 936 OE1 GLU X 56 -8.989 -3.247 12.867 1.00 42.24 O ATOM 937 OE2 GLU X 56 -9.404 -2.172 14.686 1.00 33.24 O ATOM 0 H GLU X 56 -6.701 0.462 12.105 1.00 63.51 H new ATOM 0 HA GLU X 56 -4.842 -1.225 12.983 1.00 3.53 H new ATOM 0 HB2 GLU X 56 -7.340 -2.018 11.414 1.00 51.32 H new ATOM 0 HB3 GLU X 56 -6.409 -3.146 12.381 1.00 51.32 H new ATOM 0 HG2 GLU X 56 -6.774 -1.749 14.414 1.00 74.14 H new ATOM 0 HG3 GLU X 56 -7.633 -0.553 13.464 1.00 74.14 H new ATOM 944 N ARG X 57 -5.208 -2.086 9.806 1.00 42.50 N ATOM 945 CA ARG X 57 -4.461 -2.647 8.641 1.00 23.52 C ATOM 946 C ARG X 57 -3.223 -1.791 8.387 1.00 42.32 C ATOM 947 O ARG X 57 -2.127 -2.291 8.236 1.00 23.12 O ATOM 948 CB ARG X 57 -5.370 -2.626 7.407 1.00 61.41 C ATOM 949 CG ARG X 57 -4.859 -3.599 6.338 1.00 31.52 C ATOM 950 CD ARG X 57 -3.565 -3.079 5.730 1.00 25.44 C ATOM 951 NE ARG X 57 -3.311 -3.762 4.422 1.00 35.13 N ATOM 952 CZ ARG X 57 -3.094 -5.055 4.393 1.00 34.15 C ATOM 953 NH1 ARG X 57 -3.018 -5.732 5.509 1.00 23.23 N ATOM 954 NH2 ARG X 57 -2.932 -5.672 3.253 1.00 33.11 N ATOM 0 H ARG X 57 -6.201 -1.921 9.642 1.00 42.50 H new ATOM 0 HA ARG X 57 -4.156 -3.673 8.848 1.00 23.52 H new ATOM 0 HB2 ARG X 57 -6.387 -2.895 7.694 1.00 61.41 H new ATOM 0 HB3 ARG X 57 -5.411 -1.617 6.997 1.00 61.41 H new ATOM 0 HG2 ARG X 57 -4.693 -4.582 6.780 1.00 31.52 H new ATOM 0 HG3 ARG X 57 -5.611 -3.723 5.559 1.00 31.52 H new ATOM 0 HD2 ARG X 57 -3.629 -2.001 5.582 1.00 25.44 H new ATOM 0 HD3 ARG X 57 -2.734 -3.258 6.412 1.00 25.44 H new ATOM 0 HE ARG X 57 -3.307 -3.223 3.556 1.00 35.13 H new ATOM 0 HH11 ARG X 57 -3.128 -5.254 6.404 1.00 23.23 H new ATOM 0 HH12 ARG X 57 -2.849 -6.738 5.485 1.00 23.23 H new ATOM 0 HH21 ARG X 57 -2.974 -5.148 2.379 1.00 33.11 H new ATOM 0 HH22 ARG X 57 -2.764 -6.678 3.237 1.00 33.11 H new ATOM 968 N GLU X 58 -3.391 -0.495 8.355 1.00 10.34 N ATOM 969 CA GLU X 58 -2.232 0.405 8.096 1.00 43.15 C ATOM 970 C GLU X 58 -1.170 0.167 9.176 1.00 1.52 C ATOM 971 O GLU X 58 0.016 0.179 8.907 1.00 40.32 O ATOM 972 CB GLU X 58 -2.701 1.863 8.139 1.00 11.53 C ATOM 973 CG GLU X 58 -3.852 2.062 7.146 1.00 4.04 C ATOM 974 CD GLU X 58 -4.435 3.468 7.314 1.00 53.24 C ATOM 975 OE1 GLU X 58 -3.863 4.237 8.066 1.00 11.33 O ATOM 976 OE2 GLU X 58 -5.443 3.750 6.685 1.00 11.11 O ATOM 0 H GLU X 58 -4.283 -0.021 8.498 1.00 10.34 H new ATOM 0 HA GLU X 58 -1.808 0.197 7.114 1.00 43.15 H new ATOM 0 HB2 GLU X 58 -3.028 2.121 9.146 1.00 11.53 H new ATOM 0 HB3 GLU X 58 -1.874 2.529 7.892 1.00 11.53 H new ATOM 0 HG2 GLU X 58 -3.494 1.925 6.126 1.00 4.04 H new ATOM 0 HG3 GLU X 58 -4.626 1.313 7.315 1.00 4.04 H new ATOM 983 N LYS X 59 -1.587 -0.065 10.395 1.00 31.41 N ATOM 984 CA LYS X 59 -0.604 -0.315 11.490 1.00 23.11 C ATOM 985 C LYS X 59 0.202 -1.571 11.141 1.00 32.34 C ATOM 986 O LYS X 59 1.412 -1.604 11.261 1.00 74.50 O ATOM 987 CB LYS X 59 -1.354 -0.536 12.814 1.00 70.02 C ATOM 988 CG LYS X 59 -1.289 0.735 13.673 1.00 55.05 C ATOM 989 CD LYS X 59 -2.023 1.876 12.967 1.00 62.22 C ATOM 990 CE LYS X 59 -1.765 3.192 13.708 1.00 50.01 C ATOM 991 NZ LYS X 59 -0.325 3.562 13.583 1.00 3.40 N ATOM 0 H LYS X 59 -2.566 -0.092 10.678 1.00 31.41 H new ATOM 0 HA LYS X 59 0.063 0.540 11.598 1.00 23.11 H new ATOM 0 HB2 LYS X 59 -2.393 -0.797 12.614 1.00 70.02 H new ATOM 0 HB3 LYS X 59 -0.914 -1.374 13.355 1.00 70.02 H new ATOM 0 HG2 LYS X 59 -1.739 0.549 14.648 1.00 55.05 H new ATOM 0 HG3 LYS X 59 -0.250 1.013 13.849 1.00 55.05 H new ATOM 0 HD2 LYS X 59 -1.683 1.956 11.934 1.00 62.22 H new ATOM 0 HD3 LYS X 59 -3.093 1.669 12.935 1.00 62.22 H new ATOM 0 HE2 LYS X 59 -2.391 3.983 13.295 1.00 50.01 H new ATOM 0 HE3 LYS X 59 -2.034 3.088 14.759 1.00 50.01 H new ATOM 0 HZ1 LYS X 59 0.146 3.438 14.502 1.00 3.40 H new ATOM 0 HZ2 LYS X 59 0.130 2.951 12.875 1.00 3.40 H new ATOM 0 HZ3 LYS X 59 -0.246 4.555 13.285 1.00 3.40 H new ATOM 1005 N TYR X 60 -0.473 -2.605 10.700 1.00 42.01 N ATOM 1006 CA TYR X 60 0.226 -3.871 10.333 1.00 51.15 C ATOM 1007 C TYR X 60 1.281 -3.570 9.264 1.00 2.02 C ATOM 1008 O TYR X 60 2.359 -4.128 9.264 1.00 64.33 O ATOM 1009 CB TYR X 60 -0.807 -4.868 9.788 1.00 13.51 C ATOM 1010 CG TYR X 60 -0.116 -6.080 9.209 1.00 65.44 C ATOM 1011 CD1 TYR X 60 0.280 -7.131 10.048 1.00 34.21 C ATOM 1012 CD2 TYR X 60 0.148 -6.147 7.835 1.00 14.42 C ATOM 1013 CE1 TYR X 60 0.932 -8.248 9.512 1.00 73.12 C ATOM 1014 CE2 TYR X 60 0.803 -7.264 7.300 1.00 20.13 C ATOM 1015 CZ TYR X 60 1.194 -8.314 8.138 1.00 21.11 C ATOM 1016 OH TYR X 60 1.838 -9.416 7.610 1.00 20.33 O ATOM 0 H TYR X 60 -1.486 -2.624 10.579 1.00 42.01 H new ATOM 0 HA TYR X 60 0.716 -4.300 11.207 1.00 51.15 H new ATOM 0 HB2 TYR X 60 -1.483 -5.174 10.587 1.00 13.51 H new ATOM 0 HB3 TYR X 60 -1.416 -4.388 9.022 1.00 13.51 H new ATOM 0 HD1 TYR X 60 0.082 -7.079 11.108 1.00 34.21 H new ATOM 0 HD2 TYR X 60 -0.154 -5.337 7.187 1.00 14.42 H new ATOM 0 HE1 TYR X 60 1.233 -9.059 10.158 1.00 73.12 H new ATOM 0 HE2 TYR X 60 1.006 -7.315 6.240 1.00 20.13 H new ATOM 0 HH TYR X 60 1.941 -9.302 6.642 1.00 20.33 H new ATOM 1026 N ILE X 61 0.976 -2.674 8.360 1.00 15.44 N ATOM 1027 CA ILE X 61 1.946 -2.337 7.273 1.00 42.41 C ATOM 1028 C ILE X 61 3.230 -1.777 7.901 1.00 21.11 C ATOM 1029 O ILE X 61 4.327 -2.111 7.496 1.00 23.35 O ATOM 1030 CB ILE X 61 1.335 -1.272 6.357 1.00 73.44 C ATOM 1031 CG1 ILE X 61 0.139 -1.858 5.594 1.00 2.41 C ATOM 1032 CG2 ILE X 61 2.394 -0.788 5.368 1.00 0.51 C ATOM 1033 CD1 ILE X 61 0.587 -3.049 4.744 1.00 15.23 C ATOM 0 H ILE X 61 0.096 -2.160 8.327 1.00 15.44 H new ATOM 0 HA ILE X 61 2.173 -3.233 6.695 1.00 42.41 H new ATOM 0 HB ILE X 61 0.990 -0.433 6.960 1.00 73.44 H new ATOM 0 HG12 ILE X 61 -0.631 -2.173 6.298 1.00 2.41 H new ATOM 0 HG13 ILE X 61 -0.305 -1.093 4.957 1.00 2.41 H new ATOM 0 HG21 ILE X 61 1.962 -0.030 4.715 1.00 0.51 H new ATOM 0 HG22 ILE X 61 3.234 -0.360 5.915 1.00 0.51 H new ATOM 0 HG23 ILE X 61 2.742 -1.628 4.768 1.00 0.51 H new ATOM 0 HD11 ILE X 61 -0.270 -3.456 4.208 1.00 15.23 H new ATOM 0 HD12 ILE X 61 1.341 -2.722 4.028 1.00 15.23 H new ATOM 0 HD13 ILE X 61 1.010 -3.819 5.390 1.00 15.23 H new ATOM 1045 N TYR X 62 3.098 -0.930 8.890 1.00 12.33 N ATOM 1046 CA TYR X 62 4.302 -0.341 9.540 1.00 32.53 C ATOM 1047 C TYR X 62 5.151 -1.470 10.134 1.00 31.32 C ATOM 1048 O TYR X 62 6.353 -1.521 9.955 1.00 63.12 O ATOM 1049 CB TYR X 62 3.864 0.623 10.656 1.00 13.11 C ATOM 1050 CG TYR X 62 2.895 1.646 10.099 1.00 61.33 C ATOM 1051 CD1 TYR X 62 2.979 2.040 8.754 1.00 44.50 C ATOM 1052 CD2 TYR X 62 1.905 2.194 10.925 1.00 75.34 C ATOM 1053 CE1 TYR X 62 2.075 2.980 8.242 1.00 2.24 C ATOM 1054 CE2 TYR X 62 1.002 3.135 10.411 1.00 22.40 C ATOM 1055 CZ TYR X 62 1.087 3.527 9.071 1.00 0.03 C ATOM 1056 OH TYR X 62 0.195 4.453 8.566 1.00 34.21 O ATOM 0 H TYR X 62 2.205 -0.622 9.275 1.00 12.33 H new ATOM 0 HA TYR X 62 4.888 0.209 8.804 1.00 32.53 H new ATOM 0 HB2 TYR X 62 3.393 0.066 11.466 1.00 13.11 H new ATOM 0 HB3 TYR X 62 4.735 1.125 11.078 1.00 13.11 H new ATOM 0 HD1 TYR X 62 3.740 1.619 8.114 1.00 44.50 H new ATOM 0 HD2 TYR X 62 1.837 1.891 11.959 1.00 75.34 H new ATOM 0 HE1 TYR X 62 2.140 3.283 7.207 1.00 2.24 H new ATOM 0 HE2 TYR X 62 0.240 3.557 11.050 1.00 22.40 H new ATOM 0 HH TYR X 62 -0.425 4.730 9.273 1.00 34.21 H new ATOM 1066 N ASP X 63 4.530 -2.376 10.839 1.00 1.25 N ATOM 1067 CA ASP X 63 5.278 -3.514 11.439 1.00 21.15 C ATOM 1068 C ASP X 63 5.796 -4.425 10.322 1.00 72.11 C ATOM 1069 O ASP X 63 6.884 -4.966 10.401 1.00 13.14 O ATOM 1070 CB ASP X 63 4.335 -4.301 12.357 1.00 3.44 C ATOM 1071 CG ASP X 63 5.138 -5.304 13.190 1.00 15.21 C ATOM 1072 OD1 ASP X 63 5.972 -4.874 13.966 1.00 24.11 O ATOM 1073 OD2 ASP X 63 4.897 -6.492 13.037 1.00 33.55 O ATOM 0 H ASP X 63 3.527 -2.375 11.026 1.00 1.25 H new ATOM 0 HA ASP X 63 6.123 -3.142 12.018 1.00 21.15 H new ATOM 0 HB2 ASP X 63 3.798 -3.617 13.014 1.00 3.44 H new ATOM 0 HB3 ASP X 63 3.587 -4.825 11.762 1.00 3.44 H new ATOM 1078 N ARG X 64 5.019 -4.596 9.276 1.00 42.41 N ATOM 1079 CA ARG X 64 5.444 -5.479 8.143 1.00 71.21 C ATOM 1080 C ARG X 64 6.590 -4.811 7.375 1.00 62.30 C ATOM 1081 O ARG X 64 7.597 -5.425 7.083 1.00 72.05 O ATOM 1082 CB ARG X 64 4.250 -5.707 7.192 1.00 20.55 C ATOM 1083 CG ARG X 64 4.644 -6.702 6.086 1.00 10.10 C ATOM 1084 CD ARG X 64 4.881 -8.092 6.697 1.00 10.04 C ATOM 1085 NE ARG X 64 6.358 -8.276 6.966 1.00 70.41 N ATOM 1086 CZ ARG X 64 6.797 -9.312 7.593 1.00 4.21 C ATOM 1087 NH1 ARG X 64 5.952 -10.205 7.954 1.00 44.51 N ATOM 1088 NH2 ARG X 64 8.083 -9.458 7.841 1.00 22.00 N ATOM 0 H ARG X 64 4.105 -4.159 9.159 1.00 42.41 H new ATOM 0 HA ARG X 64 5.782 -6.437 8.537 1.00 71.21 H new ATOM 0 HB2 ARG X 64 3.397 -6.091 7.751 1.00 20.55 H new ATOM 0 HB3 ARG X 64 3.941 -4.760 6.749 1.00 20.55 H new ATOM 0 HG2 ARG X 64 3.857 -6.755 5.334 1.00 10.10 H new ATOM 0 HG3 ARG X 64 5.546 -6.359 5.580 1.00 10.10 H new ATOM 0 HD2 ARG X 64 4.316 -8.196 7.623 1.00 10.04 H new ATOM 0 HD3 ARG X 64 4.524 -8.866 6.017 1.00 10.04 H new ATOM 0 HE ARG X 64 7.018 -7.567 6.645 1.00 70.41 H new ATOM 0 HH11 ARG X 64 4.961 -10.085 7.743 1.00 44.51 H new ATOM 0 HH12 ARG X 64 6.270 -11.036 8.452 1.00 44.51 H new ATOM 0 HH21 ARG X 64 8.745 -8.745 7.535 1.00 22.00 H new ATOM 0 HH22 ARG X 64 8.416 -10.284 8.339 1.00 22.00 H new ATOM 1102 N ILE X 65 6.438 -3.557 7.048 1.00 3.24 N ATOM 1103 CA ILE X 65 7.513 -2.843 6.298 1.00 11.14 C ATOM 1104 C ILE X 65 8.795 -2.784 7.143 1.00 50.21 C ATOM 1105 O ILE X 65 9.885 -2.979 6.643 1.00 52.03 O ATOM 1106 CB ILE X 65 7.059 -1.413 5.980 1.00 24.12 C ATOM 1107 CG1 ILE X 65 5.882 -1.433 4.991 1.00 43.33 C ATOM 1108 CG2 ILE X 65 8.222 -0.630 5.370 1.00 0.41 C ATOM 1109 CD1 ILE X 65 6.337 -1.973 3.633 1.00 75.14 C ATOM 0 H ILE X 65 5.616 -2.995 7.267 1.00 3.24 H new ATOM 0 HA ILE X 65 7.712 -3.383 5.372 1.00 11.14 H new ATOM 0 HB ILE X 65 6.737 -0.933 6.904 1.00 24.12 H new ATOM 0 HG12 ILE X 65 5.077 -2.054 5.385 1.00 43.33 H new ATOM 0 HG13 ILE X 65 5.480 -0.427 4.873 1.00 43.33 H new ATOM 0 HG21 ILE X 65 7.898 0.386 5.144 1.00 0.41 H new ATOM 0 HG22 ILE X 65 9.050 -0.598 6.078 1.00 0.41 H new ATOM 0 HG23 ILE X 65 8.548 -1.119 4.452 1.00 0.41 H new ATOM 0 HD11 ILE X 65 5.493 -1.981 2.943 1.00 75.14 H new ATOM 0 HD12 ILE X 65 7.126 -1.335 3.234 1.00 75.14 H new ATOM 0 HD13 ILE X 65 6.717 -2.988 3.754 1.00 75.14 H new ATOM 1121 N ARG X 66 8.672 -2.510 8.419 1.00 53.23 N ATOM 1122 CA ARG X 66 9.882 -2.431 9.291 1.00 11.54 C ATOM 1123 C ARG X 66 10.678 -3.742 9.196 1.00 3.41 C ATOM 1124 O ARG X 66 11.896 -3.744 9.189 1.00 51.11 O ATOM 1125 CB ARG X 66 9.465 -2.208 10.756 1.00 73.53 C ATOM 1126 CG ARG X 66 9.096 -0.738 10.992 1.00 51.42 C ATOM 1127 CD ARG X 66 8.531 -0.577 12.405 1.00 62.11 C ATOM 1128 NE ARG X 66 9.595 -0.899 13.432 1.00 53.32 N ATOM 1129 CZ ARG X 66 9.377 -0.772 14.694 1.00 21.12 C ATOM 1130 NH1 ARG X 66 8.193 -0.479 15.101 1.00 55.34 N ATOM 1131 NH2 ARG X 66 10.347 -0.968 15.563 1.00 13.23 N ATOM 0 H ARG X 66 7.785 -2.338 8.893 1.00 53.23 H new ATOM 0 HA ARG X 66 10.499 -1.597 8.956 1.00 11.54 H new ATOM 0 HB2 ARG X 66 8.615 -2.846 10.999 1.00 73.53 H new ATOM 0 HB3 ARG X 66 10.280 -2.496 11.420 1.00 73.53 H new ATOM 0 HG2 ARG X 66 9.975 -0.106 10.866 1.00 51.42 H new ATOM 0 HG3 ARG X 66 8.361 -0.413 10.255 1.00 51.42 H new ATOM 0 HD2 ARG X 66 8.174 0.443 12.548 1.00 62.11 H new ATOM 0 HD3 ARG X 66 7.674 -1.237 12.539 1.00 62.11 H new ATOM 0 HE ARG X 66 10.508 -1.225 13.116 1.00 53.32 H new ATOM 0 HH11 ARG X 66 7.439 -0.350 14.426 1.00 55.34 H new ATOM 0 HH12 ARG X 66 8.008 -0.376 16.099 1.00 55.34 H new ATOM 0 HH21 ARG X 66 11.280 -1.222 15.238 1.00 13.23 H new ATOM 0 HH22 ARG X 66 10.166 -0.865 16.561 1.00 13.23 H new ATOM 1145 N LYS X 67 10.000 -4.858 9.129 1.00 23.21 N ATOM 1146 CA LYS X 67 10.710 -6.174 9.046 1.00 24.41 C ATOM 1147 C LYS X 67 11.490 -6.254 7.729 1.00 70.53 C ATOM 1148 O LYS X 67 12.686 -6.470 7.721 1.00 45.21 O ATOM 1149 CB LYS X 67 9.677 -7.308 9.117 1.00 33.51 C ATOM 1150 CG LYS X 67 8.973 -7.305 10.481 1.00 70.43 C ATOM 1151 CD LYS X 67 9.869 -7.994 11.520 1.00 74.23 C ATOM 1152 CE LYS X 67 9.126 -8.108 12.857 1.00 53.22 C ATOM 1153 NZ LYS X 67 9.180 -6.799 13.575 1.00 44.15 N ATOM 0 H LYS X 67 8.982 -4.917 9.128 1.00 23.21 H new ATOM 0 HA LYS X 67 11.409 -6.271 9.877 1.00 24.41 H new ATOM 0 HB2 LYS X 67 8.942 -7.189 8.321 1.00 33.51 H new ATOM 0 HB3 LYS X 67 10.169 -8.267 8.956 1.00 33.51 H new ATOM 0 HG2 LYS X 67 8.760 -6.282 10.790 1.00 70.43 H new ATOM 0 HG3 LYS X 67 8.016 -7.822 10.410 1.00 70.43 H new ATOM 0 HD2 LYS X 67 10.154 -8.985 11.167 1.00 74.23 H new ATOM 0 HD3 LYS X 67 10.790 -7.426 11.653 1.00 74.23 H new ATOM 0 HE2 LYS X 67 8.089 -8.397 12.685 1.00 53.22 H new ATOM 0 HE3 LYS X 67 9.577 -8.889 13.469 1.00 53.22 H new ATOM 0 HZ1 LYS X 67 8.676 -6.879 14.481 1.00 44.15 H new ATOM 0 HZ2 LYS X 67 10.172 -6.541 13.752 1.00 44.15 H new ATOM 0 HZ3 LYS X 67 8.730 -6.064 12.992 1.00 44.15 H new ATOM 1167 N LEU X 68 10.829 -6.074 6.616 1.00 31.43 N ATOM 1168 CA LEU X 68 11.544 -6.129 5.306 1.00 72.03 C ATOM 1169 C LEU X 68 12.496 -4.931 5.206 1.00 42.20 C ATOM 1170 O LEU X 68 13.604 -5.043 4.720 1.00 42.12 O ATOM 1171 CB LEU X 68 10.534 -6.047 4.156 1.00 20.21 C ATOM 1172 CG LEU X 68 9.641 -7.291 4.129 1.00 64.23 C ATOM 1173 CD1 LEU X 68 8.577 -7.112 3.042 1.00 74.35 C ATOM 1174 CD2 LEU X 68 10.478 -8.532 3.809 1.00 40.12 C ATOM 0 H LEU X 68 9.827 -5.892 6.557 1.00 31.43 H new ATOM 0 HA LEU X 68 12.099 -7.065 5.240 1.00 72.03 H new ATOM 0 HB2 LEU X 68 9.919 -5.154 4.269 1.00 20.21 H new ATOM 0 HB3 LEU X 68 11.063 -5.952 3.207 1.00 20.21 H new ATOM 0 HG LEU X 68 9.170 -7.419 5.104 1.00 64.23 H new ATOM 0 HD11 LEU X 68 7.935 -7.992 3.013 1.00 74.35 H new ATOM 0 HD12 LEU X 68 7.975 -6.231 3.264 1.00 74.35 H new ATOM 0 HD13 LEU X 68 9.063 -6.986 2.075 1.00 74.35 H new ATOM 0 HD21 LEU X 68 9.834 -9.411 3.792 1.00 40.12 H new ATOM 0 HD22 LEU X 68 10.951 -8.410 2.835 1.00 40.12 H new ATOM 0 HD23 LEU X 68 11.246 -8.660 4.572 1.00 40.12 H new ATOM 1186 N CYS X 69 12.064 -3.783 5.656 1.00 1.33 N ATOM 1187 CA CYS X 69 12.930 -2.570 5.582 1.00 64.55 C ATOM 1188 C CYS X 69 14.265 -2.844 6.278 1.00 14.44 C ATOM 1189 O CYS X 69 15.324 -2.637 5.719 1.00 34.45 O ATOM 1190 CB CYS X 69 12.226 -1.399 6.270 1.00 2.02 C ATOM 1191 SG CYS X 69 13.208 0.107 6.057 1.00 62.31 S ATOM 0 H CYS X 69 11.145 -3.633 6.073 1.00 1.33 H new ATOM 0 HA CYS X 69 13.114 -2.322 4.537 1.00 64.55 H new ATOM 0 HB2 CYS X 69 11.231 -1.260 5.847 1.00 2.02 H new ATOM 0 HB3 CYS X 69 12.094 -1.613 7.331 1.00 2.02 H new ATOM 0 HG CYS X 69 14.273 0.039 6.800 1.00 62.31 H new ATOM 1197 N LYS X 70 14.220 -3.312 7.496 1.00 70.53 N ATOM 1198 CA LYS X 70 15.481 -3.619 8.226 1.00 4.10 C ATOM 1199 C LYS X 70 16.265 -4.691 7.460 1.00 62.34 C ATOM 1200 O LYS X 70 17.478 -4.671 7.406 1.00 74.54 O ATOM 1201 CB LYS X 70 15.153 -4.150 9.623 1.00 65.10 C ATOM 1202 CG LYS X 70 15.277 -3.029 10.662 1.00 11.24 C ATOM 1203 CD LYS X 70 14.265 -1.922 10.360 1.00 42.51 C ATOM 1204 CE LYS X 70 14.372 -0.825 11.426 1.00 24.42 C ATOM 1205 NZ LYS X 70 15.686 -0.132 11.295 1.00 61.00 N ATOM 0 H LYS X 70 13.362 -3.495 8.017 1.00 70.53 H new ATOM 0 HA LYS X 70 16.076 -2.710 8.309 1.00 4.10 H new ATOM 0 HB2 LYS X 70 14.142 -4.557 9.636 1.00 65.10 H new ATOM 0 HB3 LYS X 70 15.829 -4.967 9.877 1.00 65.10 H new ATOM 0 HG2 LYS X 70 15.105 -3.428 11.662 1.00 11.24 H new ATOM 0 HG3 LYS X 70 16.288 -2.622 10.651 1.00 11.24 H new ATOM 0 HD2 LYS X 70 14.453 -1.503 9.372 1.00 42.51 H new ATOM 0 HD3 LYS X 70 13.255 -2.332 10.345 1.00 42.51 H new ATOM 0 HE2 LYS X 70 13.558 -0.109 11.310 1.00 24.42 H new ATOM 0 HE3 LYS X 70 14.275 -1.259 12.421 1.00 24.42 H new ATOM 0 HZ1 LYS X 70 15.739 0.645 11.984 1.00 61.00 H new ATOM 0 HZ2 LYS X 70 16.455 -0.808 11.476 1.00 61.00 H new ATOM 0 HZ3 LYS X 70 15.782 0.251 10.333 1.00 61.00 H new ATOM 1219 N GLU X 71 15.575 -5.633 6.873 1.00 24.24 N ATOM 1220 CA GLU X 71 16.269 -6.728 6.129 1.00 14.11 C ATOM 1221 C GLU X 71 16.987 -6.167 4.896 1.00 54.03 C ATOM 1222 O GLU X 71 18.094 -6.557 4.584 1.00 1.11 O ATOM 1223 CB GLU X 71 15.244 -7.766 5.668 1.00 61.12 C ATOM 1224 CG GLU X 71 14.762 -8.587 6.862 1.00 64.43 C ATOM 1225 CD GLU X 71 15.900 -9.472 7.372 1.00 22.04 C ATOM 1226 OE1 GLU X 71 16.815 -9.723 6.607 1.00 55.33 O ATOM 1227 OE2 GLU X 71 15.836 -9.883 8.518 1.00 50.20 O ATOM 0 H GLU X 71 14.557 -5.692 6.876 1.00 24.24 H new ATOM 0 HA GLU X 71 16.999 -7.188 6.795 1.00 14.11 H new ATOM 0 HB2 GLU X 71 14.399 -7.269 5.193 1.00 61.12 H new ATOM 0 HB3 GLU X 71 15.689 -8.422 4.920 1.00 61.12 H new ATOM 0 HG2 GLU X 71 14.420 -7.924 7.657 1.00 64.43 H new ATOM 0 HG3 GLU X 71 13.911 -9.203 6.572 1.00 64.43 H new ATOM 1234 N HIS X 72 16.360 -5.271 4.181 1.00 34.31 N ATOM 1235 CA HIS X 72 17.001 -4.715 2.955 1.00 40.10 C ATOM 1236 C HIS X 72 18.003 -3.621 3.344 1.00 21.44 C ATOM 1237 O HIS X 72 18.610 -2.994 2.497 1.00 41.44 O ATOM 1238 CB HIS X 72 15.922 -4.130 2.042 1.00 73.40 C ATOM 1239 CG HIS X 72 14.841 -5.153 1.808 1.00 41.11 C ATOM 1240 ND1 HIS X 72 15.096 -6.377 1.203 1.00 23.33 N ATOM 1241 CD2 HIS X 72 13.498 -5.151 2.099 1.00 42.33 C ATOM 1242 CE1 HIS X 72 13.933 -7.053 1.150 1.00 1.21 C ATOM 1243 NE2 HIS X 72 12.932 -6.350 1.682 1.00 35.23 N ATOM 0 H HIS X 72 15.433 -4.901 4.393 1.00 34.31 H new ATOM 0 HA HIS X 72 17.530 -5.509 2.429 1.00 40.10 H new ATOM 0 HB2 HIS X 72 15.496 -3.235 2.495 1.00 73.40 H new ATOM 0 HB3 HIS X 72 16.362 -3.828 1.091 1.00 73.40 H new ATOM 0 HD1 HIS X 72 16.000 -6.704 0.861 1.00 23.33 H new ATOM 0 HD2 HIS X 72 12.965 -4.343 2.578 1.00 42.33 H new ATOM 0 HE1 HIS X 72 13.824 -8.042 0.729 1.00 1.21 H new ATOM 1252 N ASN X 73 18.182 -3.391 4.614 1.00 62.51 N ATOM 1253 CA ASN X 73 19.145 -2.340 5.065 1.00 40.03 C ATOM 1254 C ASN X 73 19.010 -1.099 4.184 1.00 50.53 C ATOM 1255 O ASN X 73 19.928 -0.310 4.066 1.00 20.41 O ATOM 1256 CB ASN X 73 20.573 -2.883 4.959 1.00 32.24 C ATOM 1257 CG ASN X 73 21.515 -1.951 5.726 1.00 52.32 C ATOM 1258 OD1 ASN X 73 21.096 -1.225 6.606 1.00 43.45 O ATOM 1259 ND2 ASN X 73 22.786 -1.924 5.414 1.00 2.51 N ATOM 0 H ASN X 73 17.702 -3.886 5.365 1.00 62.51 H new ATOM 0 HA ASN X 73 18.927 -2.072 6.099 1.00 40.03 H new ATOM 0 HB2 ASN X 73 20.624 -3.892 5.369 1.00 32.24 H new ATOM 0 HB3 ASN X 73 20.875 -2.948 3.914 1.00 32.24 H new ATOM 0 HD21 ASN X 73 23.419 -1.296 5.909 1.00 2.51 H new ATOM 0 HD22 ASN X 73 23.143 -2.531 4.676 1.00 2.51 H new ATOM 1266 N VAL X 74 17.882 -0.913 3.562 1.00 63.43 N ATOM 1267 CA VAL X 74 17.706 0.285 2.696 1.00 33.33 C ATOM 1268 C VAL X 74 17.686 1.543 3.571 1.00 70.51 C ATOM 1269 O VAL X 74 18.314 2.537 3.263 1.00 55.11 O ATOM 1270 CB VAL X 74 16.391 0.168 1.927 1.00 14.40 C ATOM 1271 CG1 VAL X 74 16.515 -0.914 0.853 1.00 64.23 C ATOM 1272 CG2 VAL X 74 15.266 -0.203 2.895 1.00 4.12 C ATOM 0 H VAL X 74 17.076 -1.536 3.615 1.00 63.43 H new ATOM 0 HA VAL X 74 18.531 0.351 1.987 1.00 33.33 H new ATOM 0 HB VAL X 74 16.165 1.123 1.452 1.00 14.40 H new ATOM 0 HG11 VAL X 74 15.575 -0.994 0.307 1.00 64.23 H new ATOM 0 HG12 VAL X 74 17.315 -0.650 0.161 1.00 64.23 H new ATOM 0 HG13 VAL X 74 16.743 -1.870 1.324 1.00 64.23 H new ATOM 0 HG21 VAL X 74 14.327 -0.287 2.347 1.00 4.12 H new ATOM 0 HG22 VAL X 74 15.495 -1.157 3.370 1.00 4.12 H new ATOM 0 HG23 VAL X 74 15.173 0.570 3.658 1.00 4.12 H new ATOM 1282 N ASP X 75 16.974 1.503 4.668 1.00 3.11 N ATOM 1283 CA ASP X 75 16.914 2.696 5.563 1.00 25.14 C ATOM 1284 C ASP X 75 16.124 2.360 6.832 1.00 1.24 C ATOM 1285 O ASP X 75 16.010 1.213 7.220 1.00 61.21 O ATOM 1286 CB ASP X 75 16.238 3.856 4.830 1.00 42.25 C ATOM 1287 CG ASP X 75 14.881 3.404 4.285 1.00 44.35 C ATOM 1288 OD1 ASP X 75 13.980 3.204 5.083 1.00 0.10 O ATOM 1289 OD2 ASP X 75 14.766 3.262 3.079 1.00 62.30 O ATOM 0 H ASP X 75 16.433 0.697 4.982 1.00 3.11 H new ATOM 0 HA ASP X 75 17.928 2.984 5.840 1.00 25.14 H new ATOM 0 HB2 ASP X 75 16.105 4.699 5.508 1.00 42.25 H new ATOM 0 HB3 ASP X 75 16.872 4.201 4.013 1.00 42.25 H new ATOM 1294 N GLU X 76 15.580 3.356 7.483 1.00 41.45 N ATOM 1295 CA GLU X 76 14.791 3.100 8.725 1.00 23.33 C ATOM 1296 C GLU X 76 13.557 4.008 8.760 1.00 42.04 C ATOM 1297 O GLU X 76 12.533 3.708 8.178 1.00 14.43 O ATOM 1298 CB GLU X 76 15.663 3.392 9.951 1.00 54.01 C ATOM 1299 CG GLU X 76 14.893 3.033 11.223 1.00 62.45 C ATOM 1300 CD GLU X 76 15.794 3.247 12.443 1.00 52.23 C ATOM 1301 OE1 GLU X 76 16.840 3.854 12.283 1.00 11.55 O ATOM 1302 OE2 GLU X 76 15.424 2.799 13.517 1.00 25.52 O ATOM 0 H GLU X 76 15.648 4.336 7.208 1.00 41.45 H new ATOM 0 HA GLU X 76 14.472 2.058 8.735 1.00 23.33 H new ATOM 0 HB2 GLU X 76 16.587 2.817 9.898 1.00 54.01 H new ATOM 0 HB3 GLU X 76 15.944 4.445 9.968 1.00 54.01 H new ATOM 0 HG2 GLU X 76 13.998 3.650 11.306 1.00 62.45 H new ATOM 0 HG3 GLU X 76 14.562 1.995 11.180 1.00 62.45 H new ATOM 1309 N ASN X 77 13.645 5.111 9.457 1.00 10.10 N ATOM 1310 CA ASN X 77 12.477 6.037 9.559 1.00 15.13 C ATOM 1311 C ASN X 77 12.047 6.527 8.172 1.00 23.04 C ATOM 1312 O ASN X 77 10.873 6.609 7.875 1.00 63.24 O ATOM 1313 CB ASN X 77 12.856 7.243 10.426 1.00 22.42 C ATOM 1314 CG ASN X 77 14.196 7.820 9.958 1.00 60.52 C ATOM 1315 OD1 ASN X 77 15.229 7.207 10.141 1.00 40.32 O ATOM 1316 ND2 ASN X 77 14.223 8.983 9.370 1.00 51.52 N ATOM 0 H ASN X 77 14.479 5.412 9.962 1.00 10.10 H new ATOM 0 HA ASN X 77 11.646 5.497 10.012 1.00 15.13 H new ATOM 0 HB2 ASN X 77 12.080 8.006 10.363 1.00 22.42 H new ATOM 0 HB3 ASN X 77 12.924 6.943 11.472 1.00 22.42 H new ATOM 0 HD21 ASN X 77 15.112 9.379 9.063 1.00 51.52 H new ATOM 0 HD22 ASN X 77 13.356 9.497 9.217 1.00 51.52 H new ATOM 1323 N ILE X 78 12.978 6.870 7.324 1.00 31.54 N ATOM 1324 CA ILE X 78 12.598 7.362 5.968 1.00 21.51 C ATOM 1325 C ILE X 78 11.678 6.350 5.279 1.00 53.20 C ATOM 1326 O ILE X 78 10.729 6.710 4.614 1.00 50.15 O ATOM 1327 CB ILE X 78 13.855 7.554 5.122 1.00 11.31 C ATOM 1328 CG1 ILE X 78 14.907 8.314 5.933 1.00 65.21 C ATOM 1329 CG2 ILE X 78 13.504 8.358 3.867 1.00 45.30 C ATOM 1330 CD1 ILE X 78 15.987 7.342 6.410 1.00 54.44 C ATOM 0 H ILE X 78 13.980 6.831 7.509 1.00 31.54 H new ATOM 0 HA ILE X 78 12.074 8.312 6.072 1.00 21.51 H new ATOM 0 HB ILE X 78 14.252 6.580 4.835 1.00 11.31 H new ATOM 0 HG12 ILE X 78 15.354 9.099 5.323 1.00 65.21 H new ATOM 0 HG13 ILE X 78 14.439 8.802 6.788 1.00 65.21 H new ATOM 0 HG21 ILE X 78 14.400 8.497 3.261 1.00 45.30 H new ATOM 0 HG22 ILE X 78 12.754 7.819 3.288 1.00 45.30 H new ATOM 0 HG23 ILE X 78 13.108 9.331 4.157 1.00 45.30 H new ATOM 0 HD11 ILE X 78 16.736 7.885 6.987 1.00 54.44 H new ATOM 0 HD12 ILE X 78 15.534 6.573 7.035 1.00 54.44 H new ATOM 0 HD13 ILE X 78 16.463 6.875 5.548 1.00 54.44 H new ATOM 1342 N GLY X 79 11.961 5.083 5.422 1.00 42.22 N ATOM 1343 CA GLY X 79 11.113 4.046 4.765 1.00 32.23 C ATOM 1344 C GLY X 79 9.672 4.134 5.275 1.00 22.41 C ATOM 1345 O GLY X 79 8.734 4.180 4.505 1.00 0.02 O ATOM 0 H GLY X 79 12.744 4.721 5.966 1.00 42.22 H new ATOM 0 HA2 GLY X 79 11.132 4.183 3.684 1.00 32.23 H new ATOM 0 HA3 GLY X 79 11.517 3.054 4.968 1.00 32.23 H new ATOM 1349 N ILE X 80 9.486 4.145 6.568 1.00 5.22 N ATOM 1350 CA ILE X 80 8.101 4.196 7.125 1.00 53.43 C ATOM 1351 C ILE X 80 7.409 5.503 6.719 1.00 35.43 C ATOM 1352 O ILE X 80 6.246 5.522 6.378 1.00 20.13 O ATOM 1353 CB ILE X 80 8.162 4.119 8.649 1.00 52.02 C ATOM 1354 CG1 ILE X 80 8.371 2.667 9.084 1.00 22.24 C ATOM 1355 CG2 ILE X 80 6.849 4.641 9.236 1.00 2.11 C ATOM 1356 CD1 ILE X 80 9.667 2.129 8.468 1.00 1.44 C ATOM 0 H ILE X 80 10.232 4.121 7.263 1.00 5.22 H new ATOM 0 HA ILE X 80 7.534 3.353 6.729 1.00 53.43 H new ATOM 0 HB ILE X 80 8.992 4.727 9.009 1.00 52.02 H new ATOM 0 HG12 ILE X 80 8.420 2.606 10.171 1.00 22.24 H new ATOM 0 HG13 ILE X 80 7.525 2.056 8.768 1.00 22.24 H new ATOM 0 HG21 ILE X 80 6.890 4.587 10.324 1.00 2.11 H new ATOM 0 HG22 ILE X 80 6.699 5.676 8.929 1.00 2.11 H new ATOM 0 HG23 ILE X 80 6.021 4.032 8.873 1.00 2.11 H new ATOM 0 HD11 ILE X 80 9.815 1.095 8.778 1.00 1.44 H new ATOM 0 HD12 ILE X 80 9.600 2.176 7.381 1.00 1.44 H new ATOM 0 HD13 ILE X 80 10.509 2.733 8.806 1.00 1.44 H new ATOM 1368 N LYS X 81 8.117 6.603 6.767 1.00 64.30 N ATOM 1369 CA LYS X 81 7.500 7.909 6.382 1.00 55.13 C ATOM 1370 C LYS X 81 6.976 7.853 4.938 1.00 54.33 C ATOM 1371 O LYS X 81 5.940 8.402 4.626 1.00 3.31 O ATOM 1372 CB LYS X 81 8.552 9.015 6.475 1.00 70.23 C ATOM 1373 CG LYS X 81 8.909 9.281 7.940 1.00 15.45 C ATOM 1374 CD LYS X 81 9.938 10.415 8.023 1.00 32.43 C ATOM 1375 CE LYS X 81 10.262 10.710 9.493 1.00 24.13 C ATOM 1376 NZ LYS X 81 11.270 11.809 9.568 1.00 52.33 N ATOM 0 H LYS X 81 9.094 6.653 7.056 1.00 64.30 H new ATOM 0 HA LYS X 81 6.671 8.113 7.060 1.00 55.13 H new ATOM 0 HB2 LYS X 81 9.445 8.725 5.922 1.00 70.23 H new ATOM 0 HB3 LYS X 81 8.174 9.927 6.014 1.00 70.23 H new ATOM 0 HG2 LYS X 81 8.013 9.548 8.500 1.00 15.45 H new ATOM 0 HG3 LYS X 81 9.312 8.377 8.396 1.00 15.45 H new ATOM 0 HD2 LYS X 81 10.846 10.135 7.489 1.00 32.43 H new ATOM 0 HD3 LYS X 81 9.547 11.310 7.540 1.00 32.43 H new ATOM 0 HE2 LYS X 81 9.355 10.996 10.026 1.00 24.13 H new ATOM 0 HE3 LYS X 81 10.648 9.814 9.979 1.00 24.13 H new ATOM 0 HZ1 LYS X 81 11.491 12.010 10.564 1.00 52.33 H new ATOM 0 HZ2 LYS X 81 12.137 11.519 9.073 1.00 52.33 H new ATOM 0 HZ3 LYS X 81 10.885 12.664 9.119 1.00 52.33 H new ATOM 1390 N ILE X 82 7.694 7.214 4.054 1.00 22.23 N ATOM 1391 CA ILE X 82 7.240 7.134 2.632 1.00 74.43 C ATOM 1392 C ILE X 82 5.932 6.334 2.523 1.00 33.03 C ATOM 1393 O ILE X 82 5.008 6.732 1.842 1.00 10.32 O ATOM 1394 CB ILE X 82 8.321 6.435 1.813 1.00 31.30 C ATOM 1395 CG1 ILE X 82 9.556 7.334 1.725 1.00 71.33 C ATOM 1396 CG2 ILE X 82 7.789 6.157 0.403 1.00 42.12 C ATOM 1397 CD1 ILE X 82 10.736 6.534 1.168 1.00 12.50 C ATOM 0 H ILE X 82 8.576 6.743 4.254 1.00 22.23 H new ATOM 0 HA ILE X 82 7.064 8.142 2.257 1.00 74.43 H new ATOM 0 HB ILE X 82 8.591 5.494 2.293 1.00 31.30 H new ATOM 0 HG12 ILE X 82 9.349 8.191 1.083 1.00 71.33 H new ATOM 0 HG13 ILE X 82 9.803 7.727 2.711 1.00 71.33 H new ATOM 0 HG21 ILE X 82 8.559 5.658 -0.185 1.00 42.12 H new ATOM 0 HG22 ILE X 82 6.909 5.517 0.466 1.00 42.12 H new ATOM 0 HG23 ILE X 82 7.520 7.098 -0.077 1.00 42.12 H new ATOM 0 HD11 ILE X 82 11.614 7.176 1.106 1.00 12.50 H new ATOM 0 HD12 ILE X 82 10.948 5.692 1.827 1.00 12.50 H new ATOM 0 HD13 ILE X 82 10.487 6.163 0.174 1.00 12.50 H new ATOM 1409 N PHE X 83 5.849 5.210 3.179 1.00 64.12 N ATOM 1410 CA PHE X 83 4.605 4.390 3.105 1.00 4.22 C ATOM 1411 C PHE X 83 3.424 5.182 3.683 1.00 64.44 C ATOM 1412 O PHE X 83 2.357 5.236 3.101 1.00 24.24 O ATOM 1413 CB PHE X 83 4.807 3.107 3.910 1.00 63.22 C ATOM 1414 CG PHE X 83 5.441 2.050 3.036 1.00 31.20 C ATOM 1415 CD1 PHE X 83 4.648 1.300 2.156 1.00 73.41 C ATOM 1416 CD2 PHE X 83 6.822 1.823 3.097 1.00 11.32 C ATOM 1417 CE1 PHE X 83 5.235 0.324 1.342 1.00 33.10 C ATOM 1418 CE2 PHE X 83 7.408 0.846 2.282 1.00 50.33 C ATOM 1419 CZ PHE X 83 6.615 0.097 1.404 1.00 63.33 C ATOM 0 H PHE X 83 6.589 4.823 3.764 1.00 64.12 H new ATOM 0 HA PHE X 83 4.390 4.143 2.065 1.00 4.22 H new ATOM 0 HB2 PHE X 83 5.440 3.305 4.775 1.00 63.22 H new ATOM 0 HB3 PHE X 83 3.850 2.751 4.291 1.00 63.22 H new ATOM 0 HD1 PHE X 83 3.584 1.475 2.106 1.00 73.41 H new ATOM 0 HD2 PHE X 83 7.435 2.401 3.772 1.00 11.32 H new ATOM 0 HE1 PHE X 83 4.623 -0.254 0.666 1.00 33.10 H new ATOM 0 HE2 PHE X 83 8.472 0.670 2.331 1.00 50.33 H new ATOM 0 HZ PHE X 83 7.068 -0.655 0.775 1.00 63.33 H new ATOM 1429 N GLN X 84 3.606 5.795 4.819 1.00 3.32 N ATOM 1430 CA GLN X 84 2.508 6.598 5.427 1.00 51.11 C ATOM 1431 C GLN X 84 1.949 7.563 4.378 1.00 4.11 C ATOM 1432 O GLN X 84 0.764 7.837 4.340 1.00 74.53 O ATOM 1433 CB GLN X 84 3.076 7.385 6.612 1.00 23.32 C ATOM 1434 CG GLN X 84 1.964 7.700 7.616 1.00 55.20 C ATOM 1435 CD GLN X 84 0.892 8.550 6.929 1.00 32.22 C ATOM 1436 OE1 GLN X 84 1.196 9.574 6.348 1.00 35.30 O ATOM 1437 NE2 GLN X 84 -0.357 8.173 6.978 1.00 64.23 N ATOM 0 H GLN X 84 4.473 5.774 5.356 1.00 3.32 H new ATOM 0 HA GLN X 84 1.706 5.945 5.772 1.00 51.11 H new ATOM 0 HB2 GLN X 84 3.863 6.808 7.098 1.00 23.32 H new ATOM 0 HB3 GLN X 84 3.531 8.311 6.259 1.00 23.32 H new ATOM 0 HG2 GLN X 84 1.526 6.776 7.993 1.00 55.20 H new ATOM 0 HG3 GLN X 84 2.373 8.233 8.474 1.00 55.20 H new ATOM 0 HE21 GLN X 84 -0.612 7.314 7.465 1.00 64.23 H new ATOM 0 HE22 GLN X 84 -1.078 8.737 6.529 1.00 64.23 H new ATOM 1446 N ARG X 85 2.795 8.075 3.523 1.00 53.44 N ATOM 1447 CA ARG X 85 2.320 9.021 2.475 1.00 20.42 C ATOM 1448 C ARG X 85 1.391 8.271 1.507 1.00 64.32 C ATOM 1449 O ARG X 85 0.384 8.792 1.066 1.00 20.32 O ATOM 1450 CB ARG X 85 3.529 9.581 1.706 1.00 51.13 C ATOM 1451 CG ARG X 85 4.347 10.537 2.597 1.00 32.50 C ATOM 1452 CD ARG X 85 5.564 11.053 1.818 1.00 53.45 C ATOM 1453 NE ARG X 85 6.378 11.953 2.689 1.00 74.01 N ATOM 1454 CZ ARG X 85 5.907 13.132 3.019 1.00 41.40 C ATOM 1455 NH1 ARG X 85 4.707 13.483 2.627 1.00 43.13 N ATOM 1456 NH2 ARG X 85 6.587 13.940 3.794 1.00 33.34 N ATOM 0 H ARG X 85 3.796 7.877 3.507 1.00 53.44 H new ATOM 0 HA ARG X 85 1.777 9.845 2.938 1.00 20.42 H new ATOM 0 HB2 ARG X 85 4.162 8.761 1.367 1.00 51.13 H new ATOM 0 HB3 ARG X 85 3.187 10.109 0.816 1.00 51.13 H new ATOM 0 HG2 ARG X 85 3.726 11.374 2.916 1.00 32.50 H new ATOM 0 HG3 ARG X 85 4.673 10.020 3.499 1.00 32.50 H new ATOM 0 HD2 ARG X 85 6.171 10.214 1.477 1.00 53.45 H new ATOM 0 HD3 ARG X 85 5.236 11.591 0.929 1.00 53.45 H new ATOM 0 HE ARG X 85 7.293 11.653 3.025 1.00 74.01 H new ATOM 0 HH11 ARG X 85 4.145 12.841 2.069 1.00 43.13 H new ATOM 0 HH12 ARG X 85 4.335 14.398 2.880 1.00 43.13 H new ATOM 0 HH21 ARG X 85 7.499 13.656 4.152 1.00 33.34 H new ATOM 0 HH22 ARG X 85 6.204 14.853 4.040 1.00 33.34 H new ATOM 1470 N LEU X 86 1.725 7.048 1.176 1.00 62.43 N ATOM 1471 CA LEU X 86 0.856 6.247 0.258 1.00 30.43 C ATOM 1472 C LEU X 86 -0.450 5.879 0.970 1.00 24.03 C ATOM 1473 O LEU X 86 -1.475 5.685 0.347 1.00 63.14 O ATOM 1474 CB LEU X 86 1.586 4.957 -0.135 1.00 45.15 C ATOM 1475 CG LEU X 86 2.496 5.211 -1.341 1.00 44.52 C ATOM 1476 CD1 LEU X 86 3.606 6.189 -0.954 1.00 44.13 C ATOM 1477 CD2 LEU X 86 3.114 3.894 -1.802 1.00 71.33 C ATOM 0 H LEU X 86 2.564 6.569 1.503 1.00 62.43 H new ATOM 0 HA LEU X 86 0.635 6.838 -0.631 1.00 30.43 H new ATOM 0 HB2 LEU X 86 2.177 4.594 0.706 1.00 45.15 H new ATOM 0 HB3 LEU X 86 0.861 4.179 -0.374 1.00 45.15 H new ATOM 0 HG LEU X 86 1.906 5.639 -2.152 1.00 44.52 H new ATOM 0 HD11 LEU X 86 4.251 6.367 -1.815 1.00 44.13 H new ATOM 0 HD12 LEU X 86 3.164 7.132 -0.631 1.00 44.13 H new ATOM 0 HD13 LEU X 86 4.195 5.767 -0.140 1.00 44.13 H new ATOM 0 HD21 LEU X 86 3.761 4.076 -2.660 1.00 71.33 H new ATOM 0 HD22 LEU X 86 3.700 3.463 -0.990 1.00 71.33 H new ATOM 0 HD23 LEU X 86 2.323 3.200 -2.085 1.00 71.33 H new ATOM 1489 N ILE X 87 -0.418 5.771 2.274 1.00 34.44 N ATOM 1490 CA ILE X 87 -1.656 5.411 3.028 1.00 64.33 C ATOM 1491 C ILE X 87 -2.670 6.556 2.932 1.00 20.30 C ATOM 1492 O ILE X 87 -3.850 6.340 2.746 1.00 4.44 O ATOM 1493 CB ILE X 87 -1.301 5.163 4.497 1.00 43.52 C ATOM 1494 CG1 ILE X 87 -0.376 3.944 4.604 1.00 72.15 C ATOM 1495 CG2 ILE X 87 -2.576 4.910 5.300 1.00 50.02 C ATOM 1496 CD1 ILE X 87 -1.075 2.707 4.031 1.00 42.22 C ATOM 0 H ILE X 87 0.412 5.917 2.849 1.00 34.44 H new ATOM 0 HA ILE X 87 -2.092 4.508 2.600 1.00 64.33 H new ATOM 0 HB ILE X 87 -0.792 6.040 4.897 1.00 43.52 H new ATOM 0 HG12 ILE X 87 0.551 4.132 4.063 1.00 72.15 H new ATOM 0 HG13 ILE X 87 -0.108 3.771 5.646 1.00 72.15 H new ATOM 0 HG21 ILE X 87 -2.319 4.734 6.345 1.00 50.02 H new ATOM 0 HG22 ILE X 87 -3.230 5.779 5.229 1.00 50.02 H new ATOM 0 HG23 ILE X 87 -3.090 4.036 4.901 1.00 50.02 H new ATOM 0 HD11 ILE X 87 -0.412 1.845 4.110 1.00 42.22 H new ATOM 0 HD12 ILE X 87 -1.990 2.514 4.591 1.00 42.22 H new ATOM 0 HD13 ILE X 87 -1.321 2.881 2.983 1.00 42.22 H new ATOM 1508 N GLU X 88 -2.215 7.774 3.052 1.00 74.11 N ATOM 1509 CA GLU X 88 -3.150 8.936 2.982 1.00 13.14 C ATOM 1510 C GLU X 88 -3.787 8.985 1.590 1.00 20.12 C ATOM 1511 O GLU X 88 -4.994 8.994 1.445 1.00 40.25 O ATOM 1512 CB GLU X 88 -2.364 10.225 3.236 1.00 42.41 C ATOM 1513 CG GLU X 88 -1.819 10.236 4.666 1.00 45.01 C ATOM 1514 CD GLU X 88 -2.990 10.258 5.653 1.00 12.40 C ATOM 1515 OE1 GLU X 88 -4.077 10.632 5.245 1.00 73.00 O ATOM 1516 OE2 GLU X 88 -2.779 9.900 6.799 1.00 75.42 O ATOM 0 H GLU X 88 -1.235 8.016 3.196 1.00 74.11 H new ATOM 0 HA GLU X 88 -3.932 8.833 3.734 1.00 13.14 H new ATOM 0 HB2 GLU X 88 -1.542 10.305 2.525 1.00 42.41 H new ATOM 0 HB3 GLU X 88 -3.008 11.090 3.077 1.00 42.41 H new ATOM 0 HG2 GLU X 88 -1.200 9.356 4.838 1.00 45.01 H new ATOM 0 HG3 GLU X 88 -1.183 11.108 4.819 1.00 45.01 H new ATOM 1523 N HIS X 89 -2.980 9.012 0.564 1.00 31.35 N ATOM 1524 CA HIS X 89 -3.526 9.078 -0.821 1.00 5.44 C ATOM 1525 C HIS X 89 -4.457 7.884 -1.055 1.00 45.14 C ATOM 1526 O HIS X 89 -5.333 7.921 -1.897 1.00 4.14 O ATOM 1527 CB HIS X 89 -2.358 9.063 -1.815 1.00 2.51 C ATOM 1528 CG HIS X 89 -2.094 7.667 -2.314 1.00 72.25 C ATOM 1529 ND1 HIS X 89 -2.193 6.554 -1.488 1.00 43.44 N ATOM 1530 CD2 HIS X 89 -1.691 7.191 -3.538 1.00 0.55 C ATOM 1531 CE1 HIS X 89 -1.850 5.475 -2.218 1.00 44.21 C ATOM 1532 NE2 HIS X 89 -1.537 5.810 -3.471 1.00 4.33 N ATOM 0 H HIS X 89 -1.962 8.991 0.626 1.00 31.35 H new ATOM 0 HA HIS X 89 -4.098 9.995 -0.962 1.00 5.44 H new ATOM 0 HB2 HIS X 89 -2.583 9.718 -2.657 1.00 2.51 H new ATOM 0 HB3 HIS X 89 -1.462 9.457 -1.335 1.00 2.51 H new ATOM 0 HD1 HIS X 89 -2.474 6.554 -0.508 1.00 43.44 H new ATOM 0 HD2 HIS X 89 -1.520 7.795 -4.417 1.00 0.55 H new ATOM 0 HE1 HIS X 89 -1.831 4.465 -1.837 1.00 44.21 H new ATOM 1541 N ASN X 90 -4.287 6.835 -0.296 1.00 33.24 N ATOM 1542 CA ASN X 90 -5.171 5.644 -0.443 1.00 34.44 C ATOM 1543 C ASN X 90 -6.554 5.983 0.129 1.00 43.01 C ATOM 1544 O ASN X 90 -7.570 5.749 -0.494 1.00 54.24 O ATOM 1545 CB ASN X 90 -4.559 4.473 0.335 1.00 73.41 C ATOM 1546 CG ASN X 90 -5.065 3.145 -0.234 1.00 31.52 C ATOM 1547 OD1 ASN X 90 -4.360 2.476 -0.964 1.00 52.44 O ATOM 1548 ND2 ASN X 90 -6.269 2.736 0.064 1.00 43.21 N ATOM 0 H ASN X 90 -3.569 6.752 0.424 1.00 33.24 H new ATOM 0 HA ASN X 90 -5.269 5.369 -1.493 1.00 34.44 H new ATOM 0 HB2 ASN X 90 -3.471 4.514 0.274 1.00 73.41 H new ATOM 0 HB3 ASN X 90 -4.822 4.550 1.390 1.00 73.41 H new ATOM 0 HD21 ASN X 90 -6.617 1.856 -0.316 1.00 43.21 H new ATOM 0 HD22 ASN X 90 -6.861 3.297 0.677 1.00 43.21 H new ATOM 1555 N LYS X 91 -6.592 6.540 1.312 1.00 32.33 N ATOM 1556 CA LYS X 91 -7.898 6.909 1.933 1.00 20.42 C ATOM 1557 C LYS X 91 -8.400 8.209 1.303 1.00 63.20 C ATOM 1558 O LYS X 91 -9.544 8.590 1.454 1.00 0.42 O ATOM 1559 CB LYS X 91 -7.701 7.113 3.444 1.00 40.45 C ATOM 1560 CG LYS X 91 -7.359 5.777 4.115 1.00 72.33 C ATOM 1561 CD LYS X 91 -7.428 5.930 5.641 1.00 21.03 C ATOM 1562 CE LYS X 91 -6.265 6.803 6.128 1.00 2.14 C ATOM 1563 NZ LYS X 91 -6.117 6.659 7.606 1.00 62.21 N ATOM 0 H LYS X 91 -5.770 6.756 1.877 1.00 32.33 H new ATOM 0 HA LYS X 91 -8.626 6.115 1.766 1.00 20.42 H new ATOM 0 HB2 LYS X 91 -6.902 7.833 3.621 1.00 40.45 H new ATOM 0 HB3 LYS X 91 -8.607 7.529 3.884 1.00 40.45 H new ATOM 0 HG2 LYS X 91 -8.055 5.005 3.786 1.00 72.33 H new ATOM 0 HG3 LYS X 91 -6.361 5.455 3.817 1.00 72.33 H new ATOM 0 HD2 LYS X 91 -8.378 6.381 5.928 1.00 21.03 H new ATOM 0 HD3 LYS X 91 -7.383 4.950 6.116 1.00 21.03 H new ATOM 0 HE2 LYS X 91 -5.342 6.508 5.629 1.00 2.14 H new ATOM 0 HE3 LYS X 91 -6.447 7.846 5.870 1.00 2.14 H new ATOM 0 HZ1 LYS X 91 -6.241 7.587 8.059 1.00 62.21 H new ATOM 0 HZ2 LYS X 91 -6.837 6.000 7.964 1.00 62.21 H new ATOM 0 HZ3 LYS X 91 -5.170 6.290 7.826 1.00 62.21 H new ATOM 1577 N ALA X 92 -7.536 8.896 0.606 1.00 21.32 N ATOM 1578 CA ALA X 92 -7.922 10.190 -0.032 1.00 42.04 C ATOM 1579 C ALA X 92 -8.836 9.964 -1.241 1.00 33.21 C ATOM 1580 O ALA X 92 -9.935 10.479 -1.299 1.00 2.23 O ATOM 1581 CB ALA X 92 -6.663 10.914 -0.509 1.00 12.50 C ATOM 0 H ALA X 92 -6.568 8.614 0.449 1.00 21.32 H new ATOM 0 HA ALA X 92 -8.456 10.784 0.709 1.00 42.04 H new ATOM 0 HB1 ALA X 92 -6.941 11.859 -0.975 1.00 12.50 H new ATOM 0 HB2 ALA X 92 -6.010 11.108 0.342 1.00 12.50 H new ATOM 0 HB3 ALA X 92 -6.138 10.292 -1.234 1.00 12.50 H new ATOM 1587 N LEU X 93 -8.379 9.233 -2.223 1.00 71.31 N ATOM 1588 CA LEU X 93 -9.223 9.003 -3.433 1.00 42.45 C ATOM 1589 C LEU X 93 -10.269 7.915 -3.155 1.00 72.44 C ATOM 1590 O LEU X 93 -11.245 7.788 -3.868 1.00 45.13 O ATOM 1591 CB LEU X 93 -8.315 8.649 -4.626 1.00 44.10 C ATOM 1592 CG LEU X 93 -8.229 7.135 -4.871 1.00 31.02 C ATOM 1593 CD1 LEU X 93 -7.956 6.393 -3.565 1.00 54.54 C ATOM 1594 CD2 LEU X 93 -9.533 6.635 -5.491 1.00 74.41 C ATOM 0 H LEU X 93 -7.462 8.787 -2.240 1.00 71.31 H new ATOM 0 HA LEU X 93 -9.771 9.911 -3.684 1.00 42.45 H new ATOM 0 HB2 LEU X 93 -8.693 9.138 -5.524 1.00 44.10 H new ATOM 0 HB3 LEU X 93 -7.314 9.042 -4.446 1.00 44.10 H new ATOM 0 HG LEU X 93 -7.405 6.941 -5.558 1.00 31.02 H new ATOM 0 HD11 LEU X 93 -7.899 5.322 -3.760 1.00 54.54 H new ATOM 0 HD12 LEU X 93 -7.012 6.736 -3.142 1.00 54.54 H new ATOM 0 HD13 LEU X 93 -8.763 6.591 -2.859 1.00 54.54 H new ATOM 0 HD21 LEU X 93 -9.466 5.561 -5.662 1.00 74.41 H new ATOM 0 HD22 LEU X 93 -10.361 6.843 -4.814 1.00 74.41 H new ATOM 0 HD23 LEU X 93 -9.703 7.144 -6.440 1.00 74.41 H new ATOM 1606 N GLN X 94 -10.103 7.163 -2.106 1.00 51.33 N ATOM 1607 CA GLN X 94 -11.126 6.141 -1.752 1.00 23.03 C ATOM 1608 C GLN X 94 -12.408 6.856 -1.310 1.00 40.23 C ATOM 1609 O GLN X 94 -13.494 6.551 -1.767 1.00 53.40 O ATOM 1610 CB GLN X 94 -10.599 5.289 -0.595 1.00 63.41 C ATOM 1611 CG GLN X 94 -9.950 4.022 -1.148 1.00 73.30 C ATOM 1612 CD GLN X 94 -9.592 3.082 0.003 1.00 21.33 C ATOM 1613 OE1 GLN X 94 -8.672 3.442 0.857 1.00 53.33 O flip ATOM 1614 NE2 GLN X 94 -10.152 2.009 0.128 1.00 71.02 N flip ATOM 0 H GLN X 94 -9.302 7.211 -1.476 1.00 51.33 H new ATOM 0 HA GLN X 94 -11.334 5.505 -2.612 1.00 23.03 H new ATOM 0 HB2 GLN X 94 -9.874 5.857 -0.012 1.00 63.41 H new ATOM 0 HB3 GLN X 94 -11.415 5.028 0.079 1.00 63.41 H new ATOM 0 HG2 GLN X 94 -10.631 3.524 -1.838 1.00 73.30 H new ATOM 0 HG3 GLN X 94 -9.054 4.278 -1.713 1.00 73.30 H new ATOM 0 HE21 GLN X 94 -10.871 1.728 -0.539 1.00 71.02 H new ATOM 0 HE22 GLN X 94 -9.903 1.391 0.900 1.00 71.02 H new ATOM 1623 N LYS X 95 -12.281 7.807 -0.422 1.00 24.23 N ATOM 1624 CA LYS X 95 -13.480 8.539 0.083 1.00 52.15 C ATOM 1625 C LYS X 95 -14.094 9.372 -1.050 1.00 54.22 C ATOM 1626 O LYS X 95 -15.296 9.415 -1.220 1.00 63.00 O ATOM 1627 CB LYS X 95 -13.065 9.477 1.227 1.00 20.40 C ATOM 1628 CG LYS X 95 -12.586 8.665 2.436 1.00 31.14 C ATOM 1629 CD LYS X 95 -12.200 9.626 3.568 1.00 23.44 C ATOM 1630 CE LYS X 95 -11.736 8.831 4.791 1.00 42.12 C ATOM 1631 NZ LYS X 95 -11.354 9.777 5.884 1.00 42.02 N ATOM 0 H LYS X 95 -11.393 8.110 -0.023 1.00 24.23 H new ATOM 0 HA LYS X 95 -14.213 7.817 0.444 1.00 52.15 H new ATOM 0 HB2 LYS X 95 -12.270 10.143 0.890 1.00 20.40 H new ATOM 0 HB3 LYS X 95 -13.908 10.106 1.514 1.00 20.40 H new ATOM 0 HG2 LYS X 95 -13.373 7.988 2.770 1.00 31.14 H new ATOM 0 HG3 LYS X 95 -11.731 8.048 2.159 1.00 31.14 H new ATOM 0 HD2 LYS X 95 -11.406 10.294 3.235 1.00 23.44 H new ATOM 0 HD3 LYS X 95 -13.053 10.252 3.832 1.00 23.44 H new ATOM 0 HE2 LYS X 95 -12.532 8.168 5.131 1.00 42.12 H new ATOM 0 HE3 LYS X 95 -10.887 8.201 4.528 1.00 42.12 H new ATOM 0 HZ1 LYS X 95 -11.039 9.238 6.715 1.00 42.02 H new ATOM 0 HZ2 LYS X 95 -10.582 10.392 5.557 1.00 42.02 H new ATOM 0 HZ3 LYS X 95 -12.176 10.360 6.141 1.00 42.02 H new ATOM 1645 N GLN X 96 -13.276 10.041 -1.818 1.00 11.40 N ATOM 1646 CA GLN X 96 -13.811 10.882 -2.928 1.00 62.05 C ATOM 1647 C GLN X 96 -14.430 9.979 -4.001 1.00 13.43 C ATOM 1648 O GLN X 96 -15.397 10.335 -4.644 1.00 11.03 O ATOM 1649 CB GLN X 96 -12.668 11.703 -3.538 1.00 64.24 C ATOM 1650 CG GLN X 96 -12.087 10.962 -4.749 1.00 13.52 C ATOM 1651 CD GLN X 96 -10.804 11.655 -5.214 1.00 51.13 C ATOM 1652 OE1 GLN X 96 -10.027 12.125 -4.407 1.00 64.43 O ATOM 1653 NE2 GLN X 96 -10.546 11.739 -6.491 1.00 43.13 N ATOM 0 H GLN X 96 -12.260 10.041 -1.725 1.00 11.40 H new ATOM 0 HA GLN X 96 -14.575 11.556 -2.542 1.00 62.05 H new ATOM 0 HB2 GLN X 96 -13.034 12.684 -3.841 1.00 64.24 H new ATOM 0 HB3 GLN X 96 -11.889 11.869 -2.794 1.00 64.24 H new ATOM 0 HG2 GLN X 96 -11.876 9.925 -4.486 1.00 13.52 H new ATOM 0 HG3 GLN X 96 -12.816 10.944 -5.560 1.00 13.52 H new ATOM 0 HE21 GLN X 96 -11.197 11.345 -7.170 1.00 43.13 H new ATOM 0 HE22 GLN X 96 -9.693 12.199 -6.810 1.00 43.13 H new ATOM 1662 N TYR X 97 -13.874 8.813 -4.192 1.00 45.25 N ATOM 1663 CA TYR X 97 -14.410 7.875 -5.223 1.00 62.35 C ATOM 1664 C TYR X 97 -15.788 7.363 -4.791 1.00 71.21 C ATOM 1665 O TYR X 97 -16.750 7.437 -5.530 1.00 32.33 O ATOM 1666 CB TYR X 97 -13.447 6.693 -5.367 1.00 1.13 C ATOM 1667 CG TYR X 97 -14.099 5.588 -6.168 1.00 3.32 C ATOM 1668 CD1 TYR X 97 -14.191 5.696 -7.561 1.00 74.04 C ATOM 1669 CD2 TYR X 97 -14.628 4.466 -5.517 1.00 13.24 C ATOM 1670 CE1 TYR X 97 -14.803 4.679 -8.303 1.00 72.10 C ATOM 1671 CE2 TYR X 97 -15.242 3.450 -6.260 1.00 34.51 C ATOM 1672 CZ TYR X 97 -15.332 3.558 -7.653 1.00 72.34 C ATOM 1673 OH TYR X 97 -15.940 2.559 -8.384 1.00 3.11 O ATOM 0 H TYR X 97 -13.066 8.467 -3.675 1.00 45.25 H new ATOM 0 HA TYR X 97 -14.506 8.394 -6.177 1.00 62.35 H new ATOM 0 HB2 TYR X 97 -12.531 7.018 -5.860 1.00 1.13 H new ATOM 0 HB3 TYR X 97 -13.165 6.321 -4.382 1.00 1.13 H new ATOM 0 HD1 TYR X 97 -13.790 6.564 -8.063 1.00 74.04 H new ATOM 0 HD2 TYR X 97 -14.562 4.385 -4.442 1.00 13.24 H new ATOM 0 HE1 TYR X 97 -14.867 4.759 -9.378 1.00 72.10 H new ATOM 0 HE2 TYR X 97 -15.646 2.583 -5.758 1.00 34.51 H new ATOM 0 HH TYR X 97 -16.251 1.854 -7.779 1.00 3.11 H new ATOM 1683 N LEU X 98 -15.887 6.838 -3.596 1.00 51.53 N ATOM 1684 CA LEU X 98 -17.195 6.292 -3.121 1.00 52.20 C ATOM 1685 C LEU X 98 -18.246 7.410 -3.105 1.00 31.31 C ATOM 1686 O LEU X 98 -19.394 7.200 -3.443 1.00 11.44 O ATOM 1687 CB LEU X 98 -17.040 5.739 -1.699 1.00 5.51 C ATOM 1688 CG LEU X 98 -16.212 4.448 -1.702 1.00 12.44 C ATOM 1689 CD1 LEU X 98 -15.948 4.024 -0.255 1.00 73.22 C ATOM 1690 CD2 LEU X 98 -16.979 3.331 -2.416 1.00 2.34 C ATOM 0 H LEU X 98 -15.119 6.764 -2.929 1.00 51.53 H new ATOM 0 HA LEU X 98 -17.511 5.495 -3.794 1.00 52.20 H new ATOM 0 HB2 LEU X 98 -16.558 6.484 -1.065 1.00 5.51 H new ATOM 0 HB3 LEU X 98 -18.023 5.544 -1.271 1.00 5.51 H new ATOM 0 HG LEU X 98 -15.271 4.626 -2.223 1.00 12.44 H new ATOM 0 HD11 LEU X 98 -15.360 3.106 -0.246 1.00 73.22 H new ATOM 0 HD12 LEU X 98 -15.399 4.812 0.261 1.00 73.22 H new ATOM 0 HD13 LEU X 98 -16.897 3.851 0.252 1.00 73.22 H new ATOM 0 HD21 LEU X 98 -16.382 2.419 -2.412 1.00 2.34 H new ATOM 0 HD22 LEU X 98 -17.922 3.149 -1.900 1.00 2.34 H new ATOM 0 HD23 LEU X 98 -17.180 3.628 -3.445 1.00 2.34 H new ATOM 1702 N GLU X 99 -17.861 8.594 -2.700 1.00 14.35 N ATOM 1703 CA GLU X 99 -18.826 9.738 -2.676 1.00 3.22 C ATOM 1704 C GLU X 99 -19.273 10.080 -4.099 1.00 21.54 C ATOM 1705 O GLU X 99 -20.415 10.412 -4.340 1.00 51.21 O ATOM 1706 CB GLU X 99 -18.144 10.965 -2.065 1.00 41.04 C ATOM 1707 CG GLU X 99 -17.963 10.759 -0.557 1.00 60.54 C ATOM 1708 CD GLU X 99 -17.194 11.948 0.032 1.00 62.22 C ATOM 1709 OE1 GLU X 99 -16.888 12.860 -0.717 1.00 53.14 O ATOM 1710 OE2 GLU X 99 -16.924 11.923 1.222 1.00 11.11 O ATOM 0 H GLU X 99 -16.918 8.819 -2.384 1.00 14.35 H new ATOM 0 HA GLU X 99 -19.694 9.454 -2.081 1.00 3.22 H new ATOM 0 HB2 GLU X 99 -17.176 11.128 -2.538 1.00 41.04 H new ATOM 0 HB3 GLU X 99 -18.744 11.856 -2.251 1.00 41.04 H new ATOM 0 HG2 GLU X 99 -18.935 10.665 -0.073 1.00 60.54 H new ATOM 0 HG3 GLU X 99 -17.421 9.832 -0.368 1.00 60.54 H new ATOM 1717 N GLU X 100 -18.371 10.023 -5.041 1.00 61.42 N ATOM 1718 CA GLU X 100 -18.735 10.360 -6.447 1.00 12.32 C ATOM 1719 C GLU X 100 -19.572 9.236 -7.070 1.00 22.21 C ATOM 1720 O GLU X 100 -20.236 9.430 -8.067 1.00 2.34 O ATOM 1721 CB GLU X 100 -17.454 10.582 -7.256 1.00 31.35 C ATOM 1722 CG GLU X 100 -17.099 9.322 -8.053 1.00 22.13 C ATOM 1723 CD GLU X 100 -17.925 9.275 -9.340 1.00 62.51 C ATOM 1724 OE1 GLU X 100 -18.647 10.226 -9.592 1.00 61.44 O ATOM 1725 OE2 GLU X 100 -17.819 8.292 -10.054 1.00 22.23 O ATOM 0 H GLU X 100 -17.397 9.757 -4.897 1.00 61.42 H new ATOM 0 HA GLU X 100 -19.334 11.271 -6.456 1.00 12.32 H new ATOM 0 HB2 GLU X 100 -17.587 11.424 -7.935 1.00 31.35 H new ATOM 0 HB3 GLU X 100 -16.634 10.839 -6.586 1.00 31.35 H new ATOM 0 HG2 GLU X 100 -16.036 9.319 -8.292 1.00 22.13 H new ATOM 0 HG3 GLU X 100 -17.293 8.433 -7.452 1.00 22.13 H new ATOM 1732 N THR X 101 -19.563 8.070 -6.482 1.00 61.24 N ATOM 1733 CA THR X 101 -20.383 6.955 -7.032 1.00 12.42 C ATOM 1734 C THR X 101 -21.812 7.063 -6.484 1.00 22.32 C ATOM 1735 O THR X 101 -22.766 6.656 -7.122 1.00 34.52 O ATOM 1736 CB THR X 101 -19.777 5.619 -6.613 1.00 52.25 C ATOM 1737 OG1 THR X 101 -19.376 5.694 -5.252 1.00 14.03 O ATOM 1738 CG2 THR X 101 -18.564 5.306 -7.488 1.00 61.11 C ATOM 0 H THR X 101 -19.024 7.843 -5.646 1.00 61.24 H new ATOM 0 HA THR X 101 -20.401 7.017 -8.120 1.00 12.42 H new ATOM 0 HB THR X 101 -20.518 4.829 -6.734 1.00 52.25 H new ATOM 0 HG1 THR X 101 -19.925 6.358 -4.785 1.00 14.03 H new ATOM 0 HG21 THR X 101 -18.134 4.351 -7.186 1.00 61.11 H new ATOM 0 HG22 THR X 101 -18.873 5.251 -8.532 1.00 61.11 H new ATOM 0 HG23 THR X 101 -17.819 6.093 -7.371 1.00 61.11 H new ATOM 1746 N LEU X 102 -21.967 7.615 -5.310 1.00 21.54 N ATOM 1747 CA LEU X 102 -23.333 7.762 -4.722 1.00 51.35 C ATOM 1748 C LEU X 102 -24.061 8.920 -5.415 1.00 34.15 C ATOM 1749 O LEU X 102 -25.274 8.940 -5.501 1.00 25.44 O ATOM 1750 CB LEU X 102 -23.223 8.051 -3.220 1.00 11.21 C ATOM 1751 CG LEU X 102 -22.558 6.866 -2.510 1.00 63.43 C ATOM 1752 CD1 LEU X 102 -22.320 7.214 -1.041 1.00 31.43 C ATOM 1753 CD2 LEU X 102 -23.477 5.642 -2.591 1.00 42.04 C ATOM 0 H LEU X 102 -21.206 7.971 -4.731 1.00 21.54 H new ATOM 0 HA LEU X 102 -23.892 6.838 -4.869 1.00 51.35 H new ATOM 0 HB2 LEU X 102 -22.641 8.958 -3.057 1.00 11.21 H new ATOM 0 HB3 LEU X 102 -24.214 8.228 -2.801 1.00 11.21 H new ATOM 0 HG LEU X 102 -21.606 6.647 -2.993 1.00 63.43 H new ATOM 0 HD11 LEU X 102 -21.847 6.370 -0.539 1.00 31.43 H new ATOM 0 HD12 LEU X 102 -21.670 8.086 -0.974 1.00 31.43 H new ATOM 0 HD13 LEU X 102 -23.273 7.435 -0.560 1.00 31.43 H new ATOM 0 HD21 LEU X 102 -23.005 4.799 -2.087 1.00 42.04 H new ATOM 0 HD22 LEU X 102 -24.428 5.868 -2.108 1.00 42.04 H new ATOM 0 HD23 LEU X 102 -23.653 5.387 -3.636 1.00 42.04 H new ATOM 1765 N GLU X 103 -23.329 9.877 -5.920 1.00 4.00 N ATOM 1766 CA GLU X 103 -23.963 11.042 -6.613 1.00 23.43 C ATOM 1767 C GLU X 103 -24.313 10.657 -8.052 1.00 3.04 C ATOM 1768 O GLU X 103 -25.041 11.346 -8.742 1.00 71.20 O ATOM 1769 CB GLU X 103 -22.963 12.193 -6.665 1.00 51.34 C ATOM 1770 CG GLU X 103 -22.688 12.725 -5.260 1.00 51.21 C ATOM 1771 CD GLU X 103 -21.624 13.820 -5.344 1.00 21.11 C ATOM 1772 OE1 GLU X 103 -21.214 14.133 -6.449 1.00 13.43 O ATOM 1773 OE2 GLU X 103 -21.243 14.330 -4.305 1.00 62.22 O ATOM 0 H GLU X 103 -22.310 9.904 -5.883 1.00 4.00 H new ATOM 0 HA GLU X 103 -24.863 11.334 -6.072 1.00 23.43 H new ATOM 0 HB2 GLU X 103 -22.033 11.854 -7.121 1.00 51.34 H new ATOM 0 HB3 GLU X 103 -23.353 12.993 -7.294 1.00 51.34 H new ATOM 0 HG2 GLU X 103 -23.604 13.122 -4.821 1.00 51.21 H new ATOM 0 HG3 GLU X 103 -22.348 11.918 -4.611 1.00 51.21 H new ATOM 1780 N HIS X 104 -23.782 9.555 -8.498 1.00 14.22 N ATOM 1781 CA HIS X 104 -24.052 9.078 -9.884 1.00 20.33 C ATOM 1782 C HIS X 104 -24.138 7.560 -9.872 1.00 24.20 C ATOM 1783 O HIS X 104 -23.116 6.934 -9.602 1.00 0.00 O ATOM 1784 CB HIS X 104 -22.913 9.520 -10.820 1.00 12.13 C ATOM 1785 CG HIS X 104 -22.864 11.027 -10.898 1.00 24.42 C ATOM 1786 ND1 HIS X 104 -23.848 11.973 -11.081 1.00 14.11 N flip ATOM 1787 CD2 HIS X 104 -21.682 11.742 -10.737 1.00 75.42 C flip ATOM 1788 CE1 HIS X 104 -23.287 13.245 -11.026 1.00 41.30 C flip ATOM 1789 NE2 HIS X 104 -21.984 13.052 -10.818 1.00 44.03 N flip ATOM 1790 OXT HIS X 104 -25.222 7.043 -10.140 1.00 0.00 O ATOM 0 H HIS X 104 -23.163 8.955 -7.954 1.00 14.22 H new ATOM 0 HA HIS X 104 -24.990 9.502 -10.242 1.00 20.33 H new ATOM 0 HB2 HIS X 104 -21.961 9.135 -10.454 1.00 12.13 H new ATOM 0 HB3 HIS X 104 -23.065 9.101 -11.815 1.00 12.13 H new ATOM 0 HD2 HIS X 104 -20.700 11.323 -10.576 1.00 75.42 H new ATOM 0 HE1 HIS X 104 -23.799 14.190 -11.130 1.00 41.30 H new ATOM 0 HE2 HIS X 104 -21.300 13.804 -10.731 1.00 44.03 H new TER 1799 HIS X 104 HETATM 1800 C1 TSA X 501 -4.888 0.627 2.696 1.00 32.37 C HETATM 1801 C2 TSA X 501 -4.919 0.003 4.097 1.00 32.49 C HETATM 1802 C3 TSA X 501 -6.044 0.082 4.835 1.00 33.06 C HETATM 1803 C4 TSA X 501 -7.186 1.057 4.573 1.00 31.51 C HETATM 1804 O5 TSA X 501 -7.045 2.112 5.500 1.00 32.28 O HETATM 1805 C5 TSA X 501 -7.134 1.698 3.145 1.00 31.33 C HETATM 1806 C6 TSA X 501 -5.652 1.963 2.781 1.00 33.70 C HETATM 1807 O7 TSA X 501 -7.691 0.873 2.134 1.00 32.90 O HETATM 1808 C8 TSA X 501 -7.071 -0.306 1.620 1.00 33.66 C HETATM 1809 C9 TSA X 501 -5.553 -0.161 1.534 1.00 29.99 C HETATM 1810 C10 TSA X 501 -3.456 0.730 2.145 1.00 32.05 C HETATM 1811 O1 TSA X 501 -3.086 1.829 1.709 1.00 32.04 O HETATM 1812 O2 TSA X 501 -2.715 -0.272 2.143 1.00 32.31 O HETATM 1813 C11 TSA X 501 -7.436 -1.524 2.469 1.00 36.08 C HETATM 1814 O3 TSA X 501 -6.635 -2.460 2.678 1.00 36.14 O HETATM 1815 O4 TSA X 501 -8.584 -1.518 2.930 1.00 39.20 O HETATM 0 HO5 TSA X 501 -6.099 2.359 5.573 1.00 32.28 H new HETATM 0 H92 TSA X 501 -5.306 0.334 0.595 1.00 29.99 H new HETATM 0 H91 TSA X 501 -5.112 -1.157 1.495 1.00 29.99 H new HETATM 0 H8 TSA X 501 -7.449 -0.452 0.608 1.00 33.66 H new HETATM 0 H62 TSA X 501 -5.193 2.608 3.531 1.00 33.70 H new HETATM 0 H61 TSA X 501 -5.590 2.489 1.828 1.00 33.70 H new HETATM 0 H5 TSA X 501 -7.726 2.612 3.185 1.00 31.33 H new HETATM 0 H4 TSA X 501 -8.123 0.508 4.661 1.00 31.51 H new HETATM 0 H3 TSA X 501 -6.144 -0.600 5.679 1.00 33.06 H new HETATM 0 H2 TSA X 501 -4.037 -0.501 4.493 1.00 32.49 H new