USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 656 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 LYS NZ :NH3+ -179:sc= 1.13 (180deg=1.11) USER MOD Set 1.2: A 49 ASN : amide:sc= -0.0688 K(o=1.1,f=-0.86) USER MOD Set 2.1: A 1 MET N :NH3+ -133:sc= -0.157 (180deg=-2.55!) USER MOD Set 2.2: A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 156:sc= -0.0953 (180deg=-0.493) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -128:sc=-0.00501 (180deg=-0.24) USER MOD Single : A 31 TYR OH : rot 31:sc= 1.22 USER MOD Single : A 34 LYS NZ :NH3+ 163:sc= 0.806 (180deg=0.419) USER MOD Single : A 44 HIS : no HE2:sc= 0.441 K(o=0.44,f=-4.5!) USER MOD Single : A 48 MET CE :methyl -173:sc= -0.0358 (180deg=-0.229) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -1.09 X(o=-1.1,f=-1.3) USER MOD Single : A 53 LYS NZ :NH3+ 169:sc= -0.0183 (180deg=-0.164) USER MOD Single : A 57 TYR OH : rot 180:sc= 0.425 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 GLN : amide:sc= -0.318 X(o=-0.32,f=-0.32) USER MOD Single : A 80 HIS : no HE2:sc= 0.98 K(o=0.98,f=-3.1!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.052) USER MOD Single : A 87 GLN : amide:sc= -0.0495 X(o=-0.049,f=-0.14) USER MOD Single : A 88 HIS : no HE2:sc= 0.63 K(o=0.63,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.672 -1.338 8.786 1.00 -0.46 N ATOM 2 CA MET A 1 -14.529 -2.536 9.598 1.00 0.04 C ATOM 3 C MET A 1 -13.079 -3.019 9.567 1.00 0.62 C ATOM 4 O MET A 1 -12.408 -3.003 10.597 1.00 -0.50 O ATOM 5 CB MET A 1 -15.498 -3.630 9.126 1.00 -0.15 C ATOM 6 CG MET A 1 -16.981 -3.230 9.119 1.00 -0.05 C ATOM 7 SD MET A 1 -17.743 -2.733 10.692 1.00 0.74 S ATOM 8 CE MET A 1 -17.428 -0.949 10.739 1.00 -0.13 C ATOM 0 H1 MET A 1 -15.210 -0.622 9.315 1.00 -0.46 H new ATOM 0 H2 MET A 1 -13.731 -0.962 8.553 1.00 -0.46 H new ATOM 0 H3 MET A 1 -15.178 -1.572 7.908 1.00 -0.46 H new ATOM 0 HA MET A 1 -14.785 -2.298 10.630 1.00 0.04 H new ATOM 0 HB2 MET A 1 -15.215 -3.934 8.118 1.00 -0.15 H new ATOM 0 HB3 MET A 1 -15.376 -4.503 9.768 1.00 -0.15 H new ATOM 0 HG2 MET A 1 -17.100 -2.406 8.416 1.00 -0.05 H new ATOM 0 HG3 MET A 1 -17.551 -4.071 8.724 1.00 -0.05 H new ATOM 0 HE1 MET A 1 -18.167 -0.466 11.379 1.00 -0.13 H new ATOM 0 HE2 MET A 1 -16.429 -0.766 11.136 1.00 -0.13 H new ATOM 0 HE3 MET A 1 -17.498 -0.540 9.731 1.00 -0.13 H new ATOM 18 N PHE A 2 -12.593 -3.444 8.392 1.00 -0.46 N ATOM 19 CA PHE A 2 -11.214 -3.882 8.212 1.00 0.04 C ATOM 20 C PHE A 2 -10.274 -2.722 8.539 1.00 0.62 C ATOM 21 O PHE A 2 -10.408 -1.648 7.958 1.00 -0.50 O ATOM 22 CB PHE A 2 -10.981 -4.359 6.773 1.00 -0.10 C ATOM 23 CG PHE A 2 -11.783 -5.575 6.352 1.00 -0.10 C ATOM 24 CD1 PHE A 2 -11.250 -6.865 6.532 1.00 -0.15 C ATOM 25 CD2 PHE A 2 -13.026 -5.415 5.713 1.00 -0.15 C ATOM 26 CE1 PHE A 2 -11.960 -7.989 6.075 1.00 -0.15 C ATOM 27 CE2 PHE A 2 -13.743 -6.540 5.271 1.00 -0.15 C ATOM 28 CZ PHE A 2 -13.211 -7.827 5.456 1.00 -0.15 C ATOM 0 H PHE A 2 -13.153 -3.491 7.541 1.00 -0.46 H new ATOM 0 HA PHE A 2 -11.014 -4.718 8.883 1.00 0.04 H new ATOM 0 HB2 PHE A 2 -11.214 -3.539 6.094 1.00 -0.10 H new ATOM 0 HB3 PHE A 2 -9.921 -4.583 6.650 1.00 -0.10 H new ATOM 0 HD1 PHE A 2 -10.296 -6.991 7.021 1.00 -0.15 H new ATOM 0 HD2 PHE A 2 -13.430 -4.425 5.562 1.00 -0.15 H new ATOM 0 HE1 PHE A 2 -11.544 -8.978 6.200 1.00 -0.15 H new ATOM 0 HE2 PHE A 2 -14.702 -6.415 4.790 1.00 -0.15 H new ATOM 0 HZ PHE A 2 -13.764 -8.693 5.122 1.00 -0.15 H new ATOM 38 N THR A 3 -9.341 -2.938 9.471 1.00 -0.46 N ATOM 39 CA THR A 3 -8.429 -1.913 9.956 1.00 0.04 C ATOM 40 C THR A 3 -7.170 -1.896 9.081 1.00 0.62 C ATOM 41 O THR A 3 -6.158 -2.495 9.438 1.00 -0.50 O ATOM 42 CB THR A 3 -8.117 -2.180 11.440 1.00 0.17 C ATOM 43 OG1 THR A 3 -9.323 -2.378 12.149 1.00 -0.55 O ATOM 44 CG2 THR A 3 -7.364 -1.008 12.076 1.00 -0.19 C ATOM 0 H THR A 3 -9.201 -3.847 9.913 1.00 -0.46 H new ATOM 0 HA THR A 3 -8.882 -0.924 9.888 1.00 0.04 H new ATOM 0 HB THR A 3 -7.489 -3.069 11.492 1.00 0.17 H new ATOM 0 HG1 THR A 3 -9.123 -2.550 13.093 1.00 -0.55 H new ATOM 0 HG21 THR A 3 -7.161 -1.232 13.123 1.00 -0.19 H new ATOM 0 HG22 THR A 3 -6.423 -0.851 11.549 1.00 -0.19 H new ATOM 0 HG23 THR A 3 -7.972 -0.106 12.009 1.00 -0.19 H new ATOM 52 N ILE A 4 -7.231 -1.208 7.934 1.00 -0.46 N ATOM 53 CA ILE A 4 -6.093 -1.074 7.034 1.00 0.04 C ATOM 54 C ILE A 4 -5.119 -0.083 7.676 1.00 0.62 C ATOM 55 O ILE A 4 -5.386 1.117 7.708 1.00 -0.50 O ATOM 56 CB ILE A 4 -6.541 -0.620 5.626 1.00 -0.01 C ATOM 57 CG1 ILE A 4 -7.271 -1.716 4.827 1.00 -0.05 C ATOM 58 CG2 ILE A 4 -5.335 -0.183 4.782 1.00 -0.09 C ATOM 59 CD1 ILE A 4 -8.629 -2.091 5.416 1.00 -0.09 C ATOM 0 H ILE A 4 -8.072 -0.731 7.610 1.00 -0.46 H new ATOM 0 HA ILE A 4 -5.601 -2.036 6.891 1.00 0.04 H new ATOM 0 HB ILE A 4 -7.230 0.205 5.806 1.00 -0.01 H new ATOM 0 HG12 ILE A 4 -7.409 -1.376 3.801 1.00 -0.05 H new ATOM 0 HG13 ILE A 4 -6.642 -2.606 4.786 1.00 -0.05 H new ATOM 0 HG21 ILE A 4 -5.676 0.132 3.796 1.00 -0.09 H new ATOM 0 HG22 ILE A 4 -4.829 0.648 5.273 1.00 -0.09 H new ATOM 0 HG23 ILE A 4 -4.643 -1.018 4.677 1.00 -0.09 H new ATOM 0 HD11 ILE A 4 -9.089 -2.868 4.805 1.00 -0.09 H new ATOM 0 HD12 ILE A 4 -8.495 -2.461 6.433 1.00 -0.09 H new ATOM 0 HD13 ILE A 4 -9.274 -1.212 5.432 1.00 -0.09 H new ATOM 71 N ASN A 5 -3.989 -0.583 8.187 1.00 -0.46 N ATOM 72 CA ASN A 5 -2.929 0.258 8.722 1.00 0.04 C ATOM 73 C ASN A 5 -2.249 0.997 7.570 1.00 0.62 C ATOM 74 O ASN A 5 -1.900 0.372 6.569 1.00 -0.50 O ATOM 75 CB ASN A 5 -1.926 -0.604 9.496 1.00 -0.09 C ATOM 76 CG ASN A 5 -0.826 0.252 10.119 1.00 0.68 C ATOM 77 OD1 ASN A 5 0.309 0.249 9.650 1.00 -0.47 O ATOM 78 ND2 ASN A 5 -1.162 0.993 11.176 1.00 -0.87 N ATOM 0 H ASN A 5 -3.790 -1.582 8.238 1.00 -0.46 H new ATOM 0 HA ASN A 5 -3.344 0.993 9.412 1.00 0.04 H new ATOM 0 HB2 ASN A 5 -2.446 -1.158 10.278 1.00 -0.09 H new ATOM 0 HB3 ASN A 5 -1.482 -1.340 8.826 1.00 -0.09 H new ATOM 0 HD21 ASN A 5 -0.464 1.586 11.626 1.00 -0.87 H new ATOM 0 HD22 ASN A 5 -2.117 0.967 11.535 1.00 -0.87 H new ATOM 85 N ALA A 6 -2.080 2.319 7.699 1.00 -0.46 N ATOM 86 CA ALA A 6 -1.512 3.147 6.644 1.00 0.04 C ATOM 87 C ALA A 6 -0.848 4.403 7.211 1.00 0.62 C ATOM 88 O ALA A 6 -0.954 4.706 8.399 1.00 -0.50 O ATOM 89 CB ALA A 6 -2.615 3.518 5.646 1.00 -0.10 C ATOM 0 H ALA A 6 -2.335 2.838 8.539 1.00 -0.46 H new ATOM 0 HA ALA A 6 -0.735 2.578 6.133 1.00 0.04 H new ATOM 0 HB1 ALA A 6 -2.195 4.138 4.854 1.00 -0.10 H new ATOM 0 HB2 ALA A 6 -3.034 2.610 5.213 1.00 -0.10 H new ATOM 0 HB3 ALA A 6 -3.401 4.070 6.161 1.00 -0.10 H new ATOM 95 N GLU A 7 -0.165 5.134 6.326 1.00 -0.46 N ATOM 96 CA GLU A 7 0.497 6.400 6.597 1.00 0.04 C ATOM 97 C GLU A 7 0.310 7.275 5.354 1.00 0.62 C ATOM 98 O GLU A 7 0.061 6.753 4.269 1.00 -0.50 O ATOM 99 CB GLU A 7 1.985 6.116 6.870 1.00 -0.18 C ATOM 100 CG GLU A 7 2.774 7.335 7.368 1.00 -0.40 C ATOM 101 CD GLU A 7 4.258 7.003 7.503 1.00 0.71 C ATOM 102 OE1 GLU A 7 4.642 6.549 8.603 1.00 -0.72 O ATOM 103 OE2 GLU A 7 4.982 7.203 6.502 1.00 -0.72 O ATOM 0 H GLU A 7 -0.057 4.839 5.356 1.00 -0.46 H new ATOM 0 HA GLU A 7 0.085 6.912 7.466 1.00 0.04 H new ATOM 0 HB2 GLU A 7 2.062 5.320 7.610 1.00 -0.18 H new ATOM 0 HB3 GLU A 7 2.447 5.746 5.955 1.00 -0.18 H new ATOM 0 HG2 GLU A 7 2.644 8.166 6.674 1.00 -0.40 H new ATOM 0 HG3 GLU A 7 2.380 7.660 8.331 1.00 -0.40 H new ATOM 110 N VAL A 8 0.447 8.598 5.490 1.00 -0.46 N ATOM 111 CA VAL A 8 0.575 9.487 4.340 1.00 0.04 C ATOM 112 C VAL A 8 1.804 9.084 3.518 1.00 0.62 C ATOM 113 O VAL A 8 2.765 8.553 4.075 1.00 -0.50 O ATOM 114 CB VAL A 8 0.641 10.958 4.794 1.00 -0.01 C ATOM 115 CG1 VAL A 8 -0.651 11.360 5.520 1.00 -0.09 C ATOM 116 CG2 VAL A 8 1.849 11.257 5.696 1.00 -0.09 C ATOM 0 H VAL A 8 0.472 9.075 6.391 1.00 -0.46 H new ATOM 0 HA VAL A 8 -0.305 9.391 3.705 1.00 0.04 H new ATOM 0 HB VAL A 8 0.758 11.550 3.886 1.00 -0.01 H new ATOM 0 HG11 VAL A 8 -0.584 12.402 5.832 1.00 -0.09 H new ATOM 0 HG12 VAL A 8 -1.500 11.237 4.847 1.00 -0.09 H new ATOM 0 HG13 VAL A 8 -0.788 10.727 6.397 1.00 -0.09 H new ATOM 0 HG21 VAL A 8 1.838 12.309 5.981 1.00 -0.09 H new ATOM 0 HG22 VAL A 8 1.797 10.637 6.591 1.00 -0.09 H new ATOM 0 HG23 VAL A 8 2.770 11.037 5.156 1.00 -0.09 H new ATOM 126 N ARG A 9 1.780 9.304 2.196 1.00 -0.46 N ATOM 127 CA ARG A 9 2.885 8.884 1.339 1.00 0.04 C ATOM 128 C ARG A 9 4.156 9.656 1.713 1.00 0.62 C ATOM 129 O ARG A 9 4.246 10.853 1.447 1.00 -0.50 O ATOM 130 CB ARG A 9 2.539 9.041 -0.151 1.00 -0.08 C ATOM 131 CG ARG A 9 3.582 8.300 -1.007 1.00 -0.10 C ATOM 132 CD ARG A 9 3.666 8.821 -2.442 1.00 -0.23 C ATOM 133 NE ARG A 9 2.431 8.570 -3.195 1.00 -0.32 N ATOM 134 CZ ARG A 9 2.284 8.824 -4.506 1.00 0.76 C ATOM 135 NH1 ARG A 9 3.297 9.345 -5.215 1.00 -0.62 N ATOM 136 NH2 ARG A 9 1.121 8.561 -5.116 1.00 -0.62 N ATOM 0 H ARG A 9 1.014 9.766 1.706 1.00 -0.46 H new ATOM 0 HA ARG A 9 3.067 7.822 1.503 1.00 0.04 H new ATOM 0 HB2 ARG A 9 1.544 8.642 -0.347 1.00 -0.08 H new ATOM 0 HB3 ARG A 9 2.518 10.097 -0.420 1.00 -0.08 H new ATOM 0 HG2 ARG A 9 4.561 8.393 -0.536 1.00 -0.10 H new ATOM 0 HG3 ARG A 9 3.337 7.238 -1.027 1.00 -0.10 H new ATOM 0 HD2 ARG A 9 3.869 9.892 -2.427 1.00 -0.23 H new ATOM 0 HD3 ARG A 9 4.504 8.345 -2.951 1.00 -0.23 H new ATOM 0 HE ARG A 9 1.635 8.178 -2.691 1.00 -0.32 H new ATOM 0 HH11 ARG A 9 4.186 9.551 -4.759 1.00 -0.62 H new ATOM 0 HH12 ARG A 9 3.178 9.535 -6.210 1.00 -0.62 H new ATOM 0 HH21 ARG A 9 0.344 8.167 -4.585 1.00 -0.62 H new ATOM 0 HH22 ARG A 9 1.012 8.755 -6.111 1.00 -0.62 H new ATOM 386 N LYS A 25 5.735 -3.110 -0.464 1.00 -0.46 N ATOM 387 CA LYS A 25 4.966 -1.919 -0.140 1.00 0.04 C ATOM 388 C LYS A 25 4.623 -1.213 -1.451 1.00 0.62 C ATOM 389 O LYS A 25 5.383 -1.306 -2.414 1.00 -0.50 O ATOM 390 CB LYS A 25 5.773 -1.001 0.793 1.00 -0.10 C ATOM 391 CG LYS A 25 4.872 -0.051 1.591 1.00 -0.16 C ATOM 392 CD LYS A 25 5.604 1.197 2.101 1.00 -0.18 C ATOM 393 CE LYS A 25 6.868 0.916 2.924 1.00 -0.04 C ATOM 394 NZ LYS A 25 8.084 0.944 2.091 1.00 -0.14 N ATOM 0 HA LYS A 25 4.048 -2.185 0.385 1.00 0.04 H new ATOM 0 HB2 LYS A 25 6.358 -1.610 1.483 1.00 -0.10 H new ATOM 0 HB3 LYS A 25 6.481 -0.418 0.204 1.00 -0.10 H new ATOM 0 HG2 LYS A 25 4.036 0.258 0.963 1.00 -0.16 H new ATOM 0 HG3 LYS A 25 4.451 -0.589 2.440 1.00 -0.16 H new ATOM 0 HD2 LYS A 25 5.876 1.816 1.246 1.00 -0.18 H new ATOM 0 HD3 LYS A 25 4.914 1.781 2.710 1.00 -0.18 H new ATOM 0 HE2 LYS A 25 6.956 1.656 3.719 1.00 -0.04 H new ATOM 0 HE3 LYS A 25 6.779 -0.058 3.404 1.00 -0.04 H new ATOM 0 HZ1 LYS A 25 8.628 0.071 2.242 1.00 -0.14 H new ATOM 0 HZ2 LYS A 25 7.817 1.016 1.089 1.00 -0.14 H new ATOM 0 HZ3 LYS A 25 8.666 1.765 2.354 1.00 -0.14 H new ATOM 408 N PHE A 26 3.473 -0.532 -1.502 1.00 -0.46 N ATOM 409 CA PHE A 26 2.972 0.095 -2.715 1.00 0.04 C ATOM 410 C PHE A 26 2.038 1.249 -2.328 1.00 0.62 C ATOM 411 O PHE A 26 1.494 1.237 -1.224 1.00 -0.50 O ATOM 412 CB PHE A 26 2.257 -0.967 -3.571 1.00 -0.10 C ATOM 413 CG PHE A 26 0.884 -1.365 -3.058 1.00 -0.10 C ATOM 414 CD1 PHE A 26 0.751 -2.100 -1.866 1.00 -0.15 C ATOM 415 CD2 PHE A 26 -0.264 -0.866 -3.700 1.00 -0.15 C ATOM 416 CE1 PHE A 26 -0.521 -2.328 -1.316 1.00 -0.15 C ATOM 417 CE2 PHE A 26 -1.530 -1.055 -3.126 1.00 -0.15 C ATOM 418 CZ PHE A 26 -1.660 -1.788 -1.936 1.00 -0.15 C ATOM 0 H PHE A 26 2.865 -0.404 -0.693 1.00 -0.46 H new ATOM 0 HA PHE A 26 3.788 0.508 -3.309 1.00 0.04 H new ATOM 0 HB2 PHE A 26 2.156 -0.589 -4.588 1.00 -0.10 H new ATOM 0 HB3 PHE A 26 2.884 -1.857 -3.623 1.00 -0.10 H new ATOM 0 HD1 PHE A 26 1.629 -2.490 -1.373 1.00 -0.15 H new ATOM 0 HD2 PHE A 26 -0.170 -0.336 -4.637 1.00 -0.15 H new ATOM 0 HE1 PHE A 26 -0.623 -2.918 -0.417 1.00 -0.15 H new ATOM 0 HE2 PHE A 26 -2.405 -0.636 -3.600 1.00 -0.15 H new ATOM 0 HZ PHE A 26 -2.636 -1.937 -1.497 1.00 -0.15 H new ATOM 428 N PRO A 27 1.839 2.249 -3.202 1.00 -0.23 N ATOM 429 CA PRO A 27 0.976 3.380 -2.914 1.00 0.04 C ATOM 430 C PRO A 27 -0.485 3.031 -3.208 1.00 0.53 C ATOM 431 O PRO A 27 -0.775 2.180 -4.048 1.00 -0.50 O ATOM 432 CB PRO A 27 1.468 4.493 -3.842 1.00 -0.12 C ATOM 433 CG PRO A 27 1.913 3.715 -5.080 1.00 -0.12 C ATOM 434 CD PRO A 27 2.497 2.430 -4.486 1.00 -0.01 C ATOM 0 HA PRO A 27 1.016 3.674 -1.865 1.00 0.04 H new ATOM 0 HB2 PRO A 27 0.678 5.208 -4.073 1.00 -0.12 H new ATOM 0 HB3 PRO A 27 2.289 5.057 -3.400 1.00 -0.12 H new ATOM 0 HG2 PRO A 27 1.077 3.508 -5.748 1.00 -0.12 H new ATOM 0 HG3 PRO A 27 2.655 4.266 -5.658 1.00 -0.12 H new ATOM 0 HD2 PRO A 27 2.315 1.579 -5.142 1.00 -0.01 H new ATOM 0 HD3 PRO A 27 3.577 2.512 -4.363 1.00 -0.01 H new ATOM 442 N ALA A 28 -1.407 3.728 -2.538 1.00 -0.46 N ATOM 443 CA ALA A 28 -2.827 3.724 -2.862 1.00 0.04 C ATOM 444 C ALA A 28 -3.365 5.141 -2.678 1.00 0.62 C ATOM 445 O ALA A 28 -2.663 5.994 -2.135 1.00 -0.50 O ATOM 446 CB ALA A 28 -3.563 2.706 -1.993 1.00 -0.10 C ATOM 0 H ALA A 28 -1.178 4.321 -1.740 1.00 -0.46 H new ATOM 0 HA ALA A 28 -2.987 3.424 -3.898 1.00 0.04 H new ATOM 0 HB1 ALA A 28 -4.624 2.712 -2.244 1.00 -0.10 H new ATOM 0 HB2 ALA A 28 -3.154 1.712 -2.172 1.00 -0.10 H new ATOM 0 HB3 ALA A 28 -3.438 2.967 -0.942 1.00 -0.10 H new ATOM 452 N ILE A 29 -4.582 5.408 -3.170 1.00 -0.46 N ATOM 453 CA ILE A 29 -5.154 6.750 -3.213 1.00 0.04 C ATOM 454 C ILE A 29 -6.600 6.703 -2.716 1.00 0.62 C ATOM 455 O ILE A 29 -7.332 5.771 -3.046 1.00 -0.50 O ATOM 456 CB ILE A 29 -5.040 7.317 -4.644 1.00 -0.01 C ATOM 457 CG1 ILE A 29 -3.559 7.507 -5.033 1.00 -0.05 C ATOM 458 CG2 ILE A 29 -5.780 8.653 -4.790 1.00 -0.09 C ATOM 459 CD1 ILE A 29 -3.358 7.981 -6.475 1.00 -0.09 C ATOM 0 H ILE A 29 -5.198 4.690 -3.551 1.00 -0.46 H new ATOM 0 HA ILE A 29 -4.602 7.421 -2.554 1.00 0.04 H new ATOM 0 HB ILE A 29 -5.506 6.594 -5.313 1.00 -0.01 H new ATOM 0 HG12 ILE A 29 -3.104 8.230 -4.355 1.00 -0.05 H new ATOM 0 HG13 ILE A 29 -3.032 6.563 -4.893 1.00 -0.05 H new ATOM 0 HG21 ILE A 29 -5.675 9.017 -5.812 1.00 -0.09 H new ATOM 0 HG22 ILE A 29 -6.836 8.511 -4.563 1.00 -0.09 H new ATOM 0 HG23 ILE A 29 -5.355 9.382 -4.099 1.00 -0.09 H new ATOM 0 HD11 ILE A 29 -2.293 8.092 -6.676 1.00 -0.09 H new ATOM 0 HD12 ILE A 29 -3.782 7.248 -7.161 1.00 -0.09 H new ATOM 0 HD13 ILE A 29 -3.856 8.940 -6.615 1.00 -0.09 H new ATOM 471 N ILE A 30 -7.001 7.717 -1.934 1.00 -0.46 N ATOM 472 CA ILE A 30 -8.368 7.906 -1.461 1.00 0.04 C ATOM 473 C ILE A 30 -8.979 9.101 -2.196 1.00 0.62 C ATOM 474 O ILE A 30 -8.364 10.164 -2.278 1.00 -0.50 O ATOM 475 CB ILE A 30 -8.418 8.101 0.070 1.00 -0.01 C ATOM 476 CG1 ILE A 30 -7.646 6.999 0.822 1.00 -0.05 C ATOM 477 CG2 ILE A 30 -9.886 8.149 0.530 1.00 -0.09 C ATOM 478 CD1 ILE A 30 -7.594 7.244 2.334 1.00 -0.09 C ATOM 0 H ILE A 30 -6.362 8.443 -1.609 1.00 -0.46 H new ATOM 0 HA ILE A 30 -8.950 7.010 -1.676 1.00 0.04 H new ATOM 0 HB ILE A 30 -7.928 9.045 0.309 1.00 -0.01 H new ATOM 0 HG12 ILE A 30 -8.117 6.035 0.630 1.00 -0.05 H new ATOM 0 HG13 ILE A 30 -6.630 6.941 0.432 1.00 -0.05 H new ATOM 0 HG21 ILE A 30 -9.924 8.287 1.611 1.00 -0.09 H new ATOM 0 HG22 ILE A 30 -10.394 8.980 0.040 1.00 -0.09 H new ATOM 0 HG23 ILE A 30 -10.381 7.215 0.265 1.00 -0.09 H new ATOM 0 HD11 ILE A 30 -7.039 6.438 2.814 1.00 -0.09 H new ATOM 0 HD12 ILE A 30 -7.098 8.194 2.532 1.00 -0.09 H new ATOM 0 HD13 ILE A 30 -8.608 7.274 2.733 1.00 -0.09 H new ATOM 490 N TYR A 31 -10.198 8.906 -2.712 1.00 -0.46 N ATOM 491 CA TYR A 31 -11.005 9.900 -3.402 1.00 0.04 C ATOM 492 C TYR A 31 -12.149 10.327 -2.482 1.00 0.62 C ATOM 493 O TYR A 31 -12.674 9.513 -1.720 1.00 -0.50 O ATOM 494 CB TYR A 31 -11.552 9.306 -4.707 1.00 -0.10 C ATOM 495 CG TYR A 31 -10.509 9.026 -5.779 1.00 -0.03 C ATOM 496 CD1 TYR A 31 -9.571 7.988 -5.614 1.00 0.00 C ATOM 497 CD2 TYR A 31 -10.501 9.783 -6.967 1.00 0.00 C ATOM 498 CE1 TYR A 31 -8.619 7.730 -6.612 1.00 -0.26 C ATOM 499 CE2 TYR A 31 -9.568 9.501 -7.980 1.00 -0.26 C ATOM 500 CZ TYR A 31 -8.634 8.465 -7.809 1.00 0.46 C ATOM 501 OH TYR A 31 -7.774 8.148 -8.817 1.00 -0.53 O ATOM 0 H TYR A 31 -10.666 8.002 -2.653 1.00 -0.46 H new ATOM 0 HA TYR A 31 -10.399 10.771 -3.651 1.00 0.04 H new ATOM 0 HB2 TYR A 31 -12.070 8.375 -4.475 1.00 -0.10 H new ATOM 0 HB3 TYR A 31 -12.295 9.991 -5.116 1.00 -0.10 H new ATOM 0 HD1 TYR A 31 -9.585 7.388 -4.716 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -11.214 10.583 -7.100 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.873 6.964 -6.459 1.00 -0.26 H new ATOM 0 HE2 TYR A 31 -9.569 10.081 -8.891 1.00 -0.26 H new ATOM 0 HH TYR A 31 -7.583 7.187 -8.794 1.00 -0.53 H new ATOM 511 N GLY A 32 -12.518 11.612 -2.551 1.00 -0.46 N ATOM 512 CA GLY A 32 -13.502 12.225 -1.668 1.00 0.04 C ATOM 513 C GLY A 32 -14.426 13.222 -2.370 1.00 0.62 C ATOM 514 O GLY A 32 -15.464 13.566 -1.803 1.00 -0.50 O ATOM 0 H GLY A 32 -12.131 12.261 -3.236 1.00 -0.46 H new ATOM 0 HA2 GLY A 32 -14.107 11.441 -1.214 1.00 0.04 H new ATOM 0 HA3 GLY A 32 -12.981 12.735 -0.858 1.00 0.04 H new ATOM 518 N GLY A 33 -14.064 13.713 -3.565 1.00 -0.46 N ATOM 519 CA GLY A 33 -14.877 14.648 -4.335 1.00 0.04 C ATOM 520 C GLY A 33 -14.703 16.085 -3.841 1.00 0.62 C ATOM 521 O GLY A 33 -14.348 16.968 -4.618 1.00 -0.50 O ATOM 0 H GLY A 33 -13.187 13.465 -4.023 1.00 -0.46 H new ATOM 0 HA2 GLY A 33 -14.602 14.589 -5.388 1.00 0.04 H new ATOM 0 HA3 GLY A 33 -15.927 14.363 -4.264 1.00 0.04 H new ATOM 525 N LYS A 34 -14.951 16.298 -2.541 1.00 -0.46 N ATOM 526 CA LYS A 34 -14.776 17.549 -1.810 1.00 0.04 C ATOM 527 C LYS A 34 -13.463 18.250 -2.172 1.00 0.62 C ATOM 528 O LYS A 34 -13.449 19.462 -2.377 1.00 -0.50 O ATOM 529 CB LYS A 34 -14.802 17.245 -0.307 1.00 -0.10 C ATOM 530 CG LYS A 34 -16.204 16.841 0.175 1.00 -0.16 C ATOM 531 CD LYS A 34 -16.175 16.313 1.618 1.00 -0.18 C ATOM 532 CE LYS A 34 -16.141 14.781 1.698 1.00 -0.04 C ATOM 533 NZ LYS A 34 -15.007 14.195 0.961 1.00 -0.14 N ATOM 0 H LYS A 34 -15.300 15.552 -1.940 1.00 -0.46 H new ATOM 0 HA LYS A 34 -15.588 18.223 -2.084 1.00 0.04 H new ATOM 0 HB2 LYS A 34 -14.098 16.442 -0.087 1.00 -0.10 H new ATOM 0 HB3 LYS A 34 -14.468 18.123 0.246 1.00 -0.10 H new ATOM 0 HG2 LYS A 34 -16.872 17.700 0.115 1.00 -0.16 H new ATOM 0 HG3 LYS A 34 -16.610 16.075 -0.485 1.00 -0.16 H new ATOM 0 HD2 LYS A 34 -15.301 16.717 2.129 1.00 -0.18 H new ATOM 0 HD3 LYS A 34 -17.053 16.679 2.150 1.00 -0.18 H new ATOM 0 HE2 LYS A 34 -16.085 14.478 2.743 1.00 -0.04 H new ATOM 0 HE3 LYS A 34 -17.073 14.380 1.300 1.00 -0.04 H new ATOM 0 HZ1 LYS A 34 -14.859 13.214 1.274 1.00 -0.14 H new ATOM 0 HZ2 LYS A 34 -15.213 14.206 -0.058 1.00 -0.14 H new ATOM 0 HZ3 LYS A 34 -14.148 14.751 1.147 1.00 -0.14 H new ATOM 547 N GLU A 35 -12.372 17.479 -2.241 1.00 -0.46 N ATOM 548 CA GLU A 35 -11.046 17.940 -2.616 1.00 0.04 C ATOM 549 C GLU A 35 -10.419 16.892 -3.537 1.00 0.62 C ATOM 550 O GLU A 35 -10.902 15.761 -3.613 1.00 -0.50 O ATOM 551 CB GLU A 35 -10.231 18.171 -1.335 1.00 -0.18 C ATOM 552 CG GLU A 35 -8.852 18.798 -1.578 1.00 -0.40 C ATOM 553 CD GLU A 35 -8.205 19.222 -0.264 1.00 0.71 C ATOM 554 OE1 GLU A 35 -7.907 18.312 0.541 1.00 -0.72 O ATOM 555 OE2 GLU A 35 -8.023 20.446 -0.085 1.00 -0.72 O ATOM 0 H GLU A 35 -12.398 16.482 -2.028 1.00 -0.46 H new ATOM 0 HA GLU A 35 -11.077 18.884 -3.159 1.00 0.04 H new ATOM 0 HB2 GLU A 35 -10.800 18.817 -0.666 1.00 -0.18 H new ATOM 0 HB3 GLU A 35 -10.100 17.218 -0.823 1.00 -0.18 H new ATOM 0 HG2 GLU A 35 -8.208 18.083 -2.090 1.00 -0.40 H new ATOM 0 HG3 GLU A 35 -8.952 19.663 -2.234 1.00 -0.40 H new ATOM 562 N ALA A 36 -9.343 17.277 -4.235 1.00 -0.46 N ATOM 563 CA ALA A 36 -8.546 16.388 -5.070 1.00 0.04 C ATOM 564 C ALA A 36 -8.095 15.161 -4.265 1.00 0.62 C ATOM 565 O ALA A 36 -7.864 15.274 -3.061 1.00 -0.50 O ATOM 566 CB ALA A 36 -7.337 17.160 -5.607 1.00 -0.10 C ATOM 0 H ALA A 36 -9.000 18.238 -4.231 1.00 -0.46 H new ATOM 0 HA ALA A 36 -9.147 16.035 -5.908 1.00 0.04 H new ATOM 0 HB1 ALA A 36 -6.734 16.502 -6.233 1.00 -0.10 H new ATOM 0 HB2 ALA A 36 -7.681 18.009 -6.198 1.00 -0.10 H new ATOM 0 HB3 ALA A 36 -6.734 17.519 -4.773 1.00 -0.10 H new ATOM 572 N PRO A 37 -7.981 13.983 -4.901 1.00 -0.23 N ATOM 573 CA PRO A 37 -7.632 12.747 -4.222 1.00 0.04 C ATOM 574 C PRO A 37 -6.198 12.808 -3.688 1.00 0.53 C ATOM 575 O PRO A 37 -5.357 13.508 -4.253 1.00 -0.50 O ATOM 576 CB PRO A 37 -7.813 11.653 -5.273 1.00 -0.12 C ATOM 577 CG PRO A 37 -7.552 12.378 -6.590 1.00 -0.12 C ATOM 578 CD PRO A 37 -8.163 13.752 -6.325 1.00 -0.01 C ATOM 0 HA PRO A 37 -8.257 12.558 -3.349 1.00 0.04 H new ATOM 0 HB2 PRO A 37 -7.113 10.831 -5.122 1.00 -0.12 H new ATOM 0 HB3 PRO A 37 -8.816 11.227 -5.241 1.00 -0.12 H new ATOM 0 HG2 PRO A 37 -6.488 12.442 -6.816 1.00 -0.12 H new ATOM 0 HG3 PRO A 37 -8.027 11.876 -7.433 1.00 -0.12 H new ATOM 0 HD2 PRO A 37 -7.668 14.523 -6.915 1.00 -0.01 H new ATOM 0 HD3 PRO A 37 -9.219 13.772 -6.595 1.00 -0.01 H new ATOM 586 N LEU A 38 -5.934 12.091 -2.588 1.00 -0.46 N ATOM 587 CA LEU A 38 -4.663 12.128 -1.873 1.00 0.04 C ATOM 588 C LEU A 38 -4.120 10.717 -1.631 1.00 0.62 C ATOM 589 O LEU A 38 -4.882 9.752 -1.585 1.00 -0.50 O ATOM 590 CB LEU A 38 -4.748 12.991 -0.597 1.00 -0.06 C ATOM 591 CG LEU A 38 -5.903 12.772 0.403 1.00 -0.01 C ATOM 592 CD1 LEU A 38 -7.241 13.367 -0.060 1.00 -0.11 C ATOM 593 CD2 LEU A 38 -6.092 11.312 0.818 1.00 -0.11 C ATOM 0 H LEU A 38 -6.614 11.459 -2.167 1.00 -0.46 H new ATOM 0 HA LEU A 38 -3.930 12.625 -2.508 1.00 0.04 H new ATOM 0 HB2 LEU A 38 -3.815 12.855 -0.050 1.00 -0.06 H new ATOM 0 HB3 LEU A 38 -4.784 14.034 -0.912 1.00 -0.06 H new ATOM 0 HG LEU A 38 -5.582 13.325 1.286 1.00 -0.01 H new ATOM 0 HD11 LEU A 38 -8.005 13.174 0.693 1.00 -0.11 H new ATOM 0 HD12 LEU A 38 -7.132 14.443 -0.199 1.00 -0.11 H new ATOM 0 HD13 LEU A 38 -7.537 12.907 -1.003 1.00 -0.11 H new ATOM 0 HD21 LEU A 38 -6.921 11.238 1.521 1.00 -0.11 H new ATOM 0 HD22 LEU A 38 -6.309 10.708 -0.063 1.00 -0.11 H new ATOM 0 HD23 LEU A 38 -5.181 10.948 1.292 1.00 -0.11 H new ATOM 605 N ALA A 39 -2.788 10.606 -1.540 1.00 -0.46 N ATOM 606 CA ALA A 39 -2.068 9.340 -1.576 1.00 0.04 C ATOM 607 C ALA A 39 -1.606 8.891 -0.190 1.00 0.62 C ATOM 608 O ALA A 39 -1.364 9.712 0.693 1.00 -0.50 O ATOM 609 CB ALA A 39 -0.874 9.459 -2.523 1.00 -0.10 C ATOM 0 H ALA A 39 -2.174 11.414 -1.437 1.00 -0.46 H new ATOM 0 HA ALA A 39 -2.756 8.577 -1.940 1.00 0.04 H new ATOM 0 HB1 ALA A 39 -0.335 8.512 -2.550 1.00 -0.10 H new ATOM 0 HB2 ALA A 39 -1.227 9.704 -3.525 1.00 -0.10 H new ATOM 0 HB3 ALA A 39 -0.207 10.246 -2.171 1.00 -0.10 H new ATOM 615 N ILE A 40 -1.471 7.570 -0.032 1.00 -0.46 N ATOM 616 CA ILE A 40 -1.053 6.901 1.190 1.00 0.04 C ATOM 617 C ILE A 40 -0.099 5.752 0.849 1.00 0.62 C ATOM 618 O ILE A 40 -0.069 5.281 -0.287 1.00 -0.50 O ATOM 619 CB ILE A 40 -2.283 6.386 1.963 1.00 -0.01 C ATOM 620 CG1 ILE A 40 -3.154 5.458 1.096 1.00 -0.05 C ATOM 621 CG2 ILE A 40 -3.102 7.565 2.505 1.00 -0.09 C ATOM 622 CD1 ILE A 40 -4.213 4.718 1.913 1.00 -0.09 C ATOM 0 H ILE A 40 -1.660 6.915 -0.790 1.00 -0.46 H new ATOM 0 HA ILE A 40 -0.527 7.611 1.828 1.00 0.04 H new ATOM 0 HB ILE A 40 -1.926 5.794 2.806 1.00 -0.01 H new ATOM 0 HG12 ILE A 40 -3.644 6.046 0.319 1.00 -0.05 H new ATOM 0 HG13 ILE A 40 -2.516 4.732 0.592 1.00 -0.05 H new ATOM 0 HG21 ILE A 40 -3.968 7.187 3.049 1.00 -0.09 H new ATOM 0 HG22 ILE A 40 -2.483 8.160 3.177 1.00 -0.09 H new ATOM 0 HG23 ILE A 40 -3.438 8.187 1.675 1.00 -0.09 H new ATOM 0 HD11 ILE A 40 -4.799 4.078 1.254 1.00 -0.09 H new ATOM 0 HD12 ILE A 40 -3.725 4.107 2.673 1.00 -0.09 H new ATOM 0 HD13 ILE A 40 -4.871 5.441 2.396 1.00 -0.09 H new ATOM 634 N GLU A 41 0.655 5.305 1.860 1.00 -0.46 N ATOM 635 CA GLU A 41 1.530 4.142 1.836 1.00 0.04 C ATOM 636 C GLU A 41 0.908 3.042 2.692 1.00 0.62 C ATOM 637 O GLU A 41 0.378 3.322 3.768 1.00 -0.50 O ATOM 638 CB GLU A 41 2.898 4.526 2.412 1.00 -0.18 C ATOM 639 CG GLU A 41 3.769 5.219 1.362 1.00 -0.40 C ATOM 640 CD GLU A 41 4.596 4.224 0.558 1.00 0.71 C ATOM 641 OE1 GLU A 41 3.984 3.428 -0.187 1.00 -0.72 O ATOM 642 OE2 GLU A 41 5.835 4.275 0.711 1.00 -0.72 O ATOM 0 H GLU A 41 0.667 5.776 2.765 1.00 -0.46 H new ATOM 0 HA GLU A 41 1.655 3.789 0.812 1.00 0.04 H new ATOM 0 HB2 GLU A 41 2.762 5.187 3.268 1.00 -0.18 H new ATOM 0 HB3 GLU A 41 3.405 3.633 2.776 1.00 -0.18 H new ATOM 0 HG2 GLU A 41 3.135 5.792 0.686 1.00 -0.40 H new ATOM 0 HG3 GLU A 41 4.434 5.929 1.854 1.00 -0.40 H new ATOM 649 N LEU A 42 0.994 1.797 2.212 1.00 -0.46 N ATOM 650 CA LEU A 42 0.526 0.611 2.915 1.00 0.04 C ATOM 651 C LEU A 42 1.128 -0.653 2.286 1.00 0.62 C ATOM 652 O LEU A 42 1.571 -0.640 1.137 1.00 -0.50 O ATOM 653 CB LEU A 42 -1.011 0.592 3.032 1.00 -0.06 C ATOM 654 CG LEU A 42 -1.800 1.131 1.824 1.00 -0.01 C ATOM 655 CD1 LEU A 42 -1.509 0.357 0.538 1.00 -0.11 C ATOM 656 CD2 LEU A 42 -3.301 1.057 2.125 1.00 -0.11 C ATOM 0 H LEU A 42 1.402 1.587 1.301 1.00 -0.46 H new ATOM 0 HA LEU A 42 0.883 0.638 3.944 1.00 0.04 H new ATOM 0 HB2 LEU A 42 -1.326 -0.435 3.214 1.00 -0.06 H new ATOM 0 HB3 LEU A 42 -1.293 1.173 3.910 1.00 -0.06 H new ATOM 0 HG LEU A 42 -1.485 2.162 1.665 1.00 -0.01 H new ATOM 0 HD11 LEU A 42 -2.092 0.779 -0.281 1.00 -0.11 H new ATOM 0 HD12 LEU A 42 -0.447 0.429 0.302 1.00 -0.11 H new ATOM 0 HD13 LEU A 42 -1.780 -0.690 0.674 1.00 -0.11 H new ATOM 0 HD21 LEU A 42 -3.862 1.438 1.272 1.00 -0.11 H new ATOM 0 HD22 LEU A 42 -3.584 0.021 2.312 1.00 -0.11 H new ATOM 0 HD23 LEU A 42 -3.526 1.659 3.005 1.00 -0.11 H new ATOM 668 N ASP A 43 1.215 -1.727 3.080 1.00 -0.46 N ATOM 669 CA ASP A 43 2.035 -2.892 2.771 1.00 0.04 C ATOM 670 C ASP A 43 1.315 -3.882 1.857 1.00 0.62 C ATOM 671 O ASP A 43 0.113 -4.108 1.995 1.00 -0.50 O ATOM 672 CB ASP A 43 2.476 -3.577 4.068 1.00 -0.40 C ATOM 673 CG ASP A 43 3.323 -2.642 4.925 1.00 0.71 C ATOM 674 OD1 ASP A 43 4.510 -2.467 4.575 1.00 -0.72 O ATOM 675 OD2 ASP A 43 2.760 -2.105 5.903 1.00 -0.72 O ATOM 0 H ASP A 43 0.711 -1.807 3.963 1.00 -0.46 H new ATOM 0 HA ASP A 43 2.914 -2.543 2.229 1.00 0.04 H new ATOM 0 HB2 ASP A 43 1.598 -3.895 4.631 1.00 -0.40 H new ATOM 0 HB3 ASP A 43 3.047 -4.475 3.832 1.00 -0.40 H new ATOM 680 N HIS A 44 2.073 -4.504 0.947 1.00 -0.46 N ATOM 681 CA HIS A 44 1.589 -5.533 0.040 1.00 0.04 C ATOM 682 C HIS A 44 1.598 -6.888 0.765 1.00 0.62 C ATOM 683 O HIS A 44 2.289 -7.817 0.350 1.00 -0.50 O ATOM 684 CB HIS A 44 2.457 -5.521 -1.230 1.00 -0.10 C ATOM 685 CG HIS A 44 1.895 -6.320 -2.382 1.00 -0.03 C ATOM 686 ND1 HIS A 44 1.517 -7.643 -2.342 1.00 -0.15 N ATOM 687 CD2 HIS A 44 1.741 -5.887 -3.672 1.00 0.20 C ATOM 688 CE1 HIS A 44 1.136 -7.994 -3.580 1.00 0.24 C ATOM 689 NE2 HIS A 44 1.260 -6.961 -4.429 1.00 -0.50 N ATOM 0 H HIS A 44 3.064 -4.295 0.823 1.00 -0.46 H new ATOM 0 HA HIS A 44 0.561 -5.343 -0.267 1.00 0.04 H new ATOM 0 HB2 HIS A 44 2.592 -4.489 -1.552 1.00 -0.10 H new ATOM 0 HB3 HIS A 44 3.445 -5.910 -0.983 1.00 -0.10 H new ATOM 0 HD1 HIS A 44 1.525 -8.247 -1.520 1.00 -0.15 H new ATOM 0 HD2 HIS A 44 1.953 -4.894 -4.039 1.00 0.20 H new ATOM 0 HE1 HIS A 44 0.778 -8.975 -3.856 1.00 0.24 H new ATOM 697 N ASP A 45 0.829 -6.992 1.856 1.00 -0.46 N ATOM 698 CA ASP A 45 0.724 -8.200 2.660 1.00 0.04 C ATOM 699 C ASP A 45 -0.534 -8.133 3.528 1.00 0.62 C ATOM 700 O ASP A 45 -1.498 -8.850 3.269 1.00 -0.50 O ATOM 701 CB ASP A 45 1.990 -8.399 3.504 1.00 -0.40 C ATOM 702 CG ASP A 45 1.857 -9.611 4.422 1.00 0.71 C ATOM 703 OD1 ASP A 45 1.638 -10.718 3.884 1.00 -0.72 O ATOM 704 OD2 ASP A 45 1.953 -9.408 5.653 1.00 -0.72 O ATOM 0 H ASP A 45 0.256 -6.223 2.204 1.00 -0.46 H new ATOM 0 HA ASP A 45 0.637 -9.066 2.003 1.00 0.04 H new ATOM 0 HB2 ASP A 45 2.851 -8.529 2.848 1.00 -0.40 H new ATOM 0 HB3 ASP A 45 2.176 -7.506 4.101 1.00 -0.40 H new ATOM 709 N LYS A 46 -0.530 -7.259 4.545 1.00 -0.46 N ATOM 710 CA LYS A 46 -1.676 -7.040 5.418 1.00 0.04 C ATOM 711 C LYS A 46 -2.897 -6.640 4.594 1.00 0.62 C ATOM 712 O LYS A 46 -3.979 -7.188 4.791 1.00 -0.50 O ATOM 713 CB LYS A 46 -1.365 -5.982 6.489 1.00 -0.10 C ATOM 714 CG LYS A 46 -0.955 -6.609 7.828 1.00 -0.16 C ATOM 715 CD LYS A 46 0.448 -7.234 7.813 1.00 -0.18 C ATOM 716 CE LYS A 46 0.456 -8.649 8.408 1.00 -0.04 C ATOM 717 NZ LYS A 46 -0.115 -9.641 7.478 1.00 -0.14 N ATOM 0 H LYS A 46 0.278 -6.683 4.781 1.00 -0.46 H new ATOM 0 HA LYS A 46 -1.896 -7.974 5.934 1.00 0.04 H new ATOM 0 HB2 LYS A 46 -0.564 -5.334 6.134 1.00 -0.10 H new ATOM 0 HB3 LYS A 46 -2.242 -5.352 6.639 1.00 -0.10 H new ATOM 0 HG2 LYS A 46 -0.994 -5.845 8.604 1.00 -0.16 H new ATOM 0 HG3 LYS A 46 -1.682 -7.375 8.098 1.00 -0.16 H new ATOM 0 HD2 LYS A 46 0.817 -7.270 6.788 1.00 -0.18 H new ATOM 0 HD3 LYS A 46 1.133 -6.600 8.377 1.00 -0.18 H new ATOM 0 HE2 LYS A 46 1.479 -8.932 8.657 1.00 -0.04 H new ATOM 0 HE3 LYS A 46 -0.112 -8.655 9.338 1.00 -0.04 H new ATOM 0 HZ1 LYS A 46 -0.107 -10.580 7.924 1.00 -0.14 H new ATOM 0 HZ2 LYS A 46 -1.094 -9.376 7.246 1.00 -0.14 H new ATOM 0 HZ3 LYS A 46 0.452 -9.667 6.607 1.00 -0.14 H new ATOM 731 N VAL A 47 -2.718 -5.703 3.656 1.00 -0.46 N ATOM 732 CA VAL A 47 -3.788 -5.268 2.775 1.00 0.04 C ATOM 733 C VAL A 47 -4.256 -6.445 1.920 1.00 0.62 C ATOM 734 O VAL A 47 -5.451 -6.713 1.874 1.00 -0.50 O ATOM 735 CB VAL A 47 -3.339 -4.065 1.932 1.00 -0.01 C ATOM 736 CG1 VAL A 47 -4.519 -3.507 1.125 1.00 -0.09 C ATOM 737 CG2 VAL A 47 -2.815 -2.943 2.837 1.00 -0.09 C ATOM 0 H VAL A 47 -1.828 -5.232 3.493 1.00 -0.46 H new ATOM 0 HA VAL A 47 -4.639 -4.931 3.366 1.00 0.04 H new ATOM 0 HB VAL A 47 -2.551 -4.407 1.261 1.00 -0.01 H new ATOM 0 HG11 VAL A 47 -4.184 -2.655 0.533 1.00 -0.09 H new ATOM 0 HG12 VAL A 47 -4.904 -4.281 0.461 1.00 -0.09 H new ATOM 0 HG13 VAL A 47 -5.307 -3.188 1.807 1.00 -0.09 H new ATOM 0 HG21 VAL A 47 -2.501 -2.098 2.224 1.00 -0.09 H new ATOM 0 HG22 VAL A 47 -3.606 -2.624 3.516 1.00 -0.09 H new ATOM 0 HG23 VAL A 47 -1.966 -3.308 3.414 1.00 -0.09 H new ATOM 747 N MET A 48 -3.322 -7.169 1.287 1.00 -0.46 N ATOM 748 CA MET A 48 -3.612 -8.354 0.480 1.00 0.04 C ATOM 749 C MET A 48 -4.513 -9.351 1.217 1.00 0.62 C ATOM 750 O MET A 48 -5.474 -9.846 0.631 1.00 -0.50 O ATOM 751 CB MET A 48 -2.308 -9.037 0.030 1.00 -0.15 C ATOM 752 CG MET A 48 -1.947 -8.758 -1.434 1.00 -0.05 C ATOM 753 SD MET A 48 -3.161 -9.245 -2.698 1.00 0.74 S ATOM 754 CE MET A 48 -3.495 -10.967 -2.252 1.00 -0.13 C ATOM 0 H MET A 48 -2.329 -6.941 1.325 1.00 -0.46 H new ATOM 0 HA MET A 48 -4.157 -8.016 -0.401 1.00 0.04 H new ATOM 0 HB2 MET A 48 -1.491 -8.700 0.668 1.00 -0.15 H new ATOM 0 HB3 MET A 48 -2.402 -10.113 0.174 1.00 -0.15 H new ATOM 0 HG2 MET A 48 -1.762 -7.689 -1.538 1.00 -0.05 H new ATOM 0 HG3 MET A 48 -1.009 -9.267 -1.653 1.00 -0.05 H new ATOM 0 HE1 MET A 48 -4.125 -11.425 -3.015 1.00 -0.13 H new ATOM 0 HE2 MET A 48 -2.555 -11.514 -2.182 1.00 -0.13 H new ATOM 0 HE3 MET A 48 -4.007 -11.001 -1.290 1.00 -0.13 H new ATOM 764 N ASN A 49 -4.216 -9.640 2.492 1.00 -0.46 N ATOM 765 CA ASN A 49 -5.027 -10.539 3.311 1.00 0.04 C ATOM 766 C ASN A 49 -6.487 -10.076 3.351 1.00 0.62 C ATOM 767 O ASN A 49 -7.398 -10.895 3.248 1.00 -0.50 O ATOM 768 CB ASN A 49 -4.477 -10.640 4.744 1.00 -0.09 C ATOM 769 CG ASN A 49 -3.021 -11.098 4.835 1.00 0.68 C ATOM 770 OD1 ASN A 49 -2.240 -10.525 5.593 1.00 -0.47 O ATOM 771 ND2 ASN A 49 -2.649 -12.140 4.090 1.00 -0.87 N ATOM 0 H ASN A 49 -3.407 -9.255 2.980 1.00 -0.46 H new ATOM 0 HA ASN A 49 -4.980 -11.526 2.850 1.00 0.04 H new ATOM 0 HB2 ASN A 49 -4.569 -9.666 5.224 1.00 -0.09 H new ATOM 0 HB3 ASN A 49 -5.099 -11.334 5.310 1.00 -0.09 H new ATOM 0 HD21 ASN A 49 -1.690 -12.485 4.138 1.00 -0.87 H new ATOM 0 HD22 ASN A 49 -3.323 -12.592 3.472 1.00 -0.87 H new ATOM 778 N MET A 50 -6.700 -8.764 3.502 1.00 -0.46 N ATOM 779 CA MET A 50 -8.018 -8.162 3.629 1.00 0.04 C ATOM 780 C MET A 50 -8.748 -8.111 2.281 1.00 0.62 C ATOM 781 O MET A 50 -9.949 -8.365 2.250 1.00 -0.50 O ATOM 782 CB MET A 50 -7.895 -6.768 4.260 1.00 -0.15 C ATOM 783 CG MET A 50 -7.283 -6.837 5.665 1.00 -0.05 C ATOM 784 SD MET A 50 -6.894 -5.227 6.393 1.00 0.74 S ATOM 785 CE MET A 50 -6.100 -5.769 7.926 1.00 -0.13 C ATOM 0 H MET A 50 -5.941 -8.083 3.539 1.00 -0.46 H new ATOM 0 HA MET A 50 -8.622 -8.787 4.287 1.00 0.04 H new ATOM 0 HB2 MET A 50 -7.278 -6.133 3.624 1.00 -0.15 H new ATOM 0 HB3 MET A 50 -8.880 -6.304 4.314 1.00 -0.15 H new ATOM 0 HG2 MET A 50 -7.975 -7.362 6.324 1.00 -0.05 H new ATOM 0 HG3 MET A 50 -6.371 -7.432 5.622 1.00 -0.05 H new ATOM 0 HE1 MET A 50 -5.793 -4.898 8.505 1.00 -0.13 H new ATOM 0 HE2 MET A 50 -6.803 -6.363 8.510 1.00 -0.13 H new ATOM 0 HE3 MET A 50 -5.224 -6.373 7.688 1.00 -0.13 H new ATOM 795 N GLN A 51 -8.037 -7.789 1.185 1.00 -0.46 N ATOM 796 CA GLN A 51 -8.592 -7.631 -0.161 1.00 0.04 C ATOM 797 C GLN A 51 -9.550 -8.765 -0.527 1.00 0.62 C ATOM 798 O GLN A 51 -10.716 -8.503 -0.806 1.00 -0.50 O ATOM 799 CB GLN A 51 -7.475 -7.553 -1.216 1.00 -0.10 C ATOM 800 CG GLN A 51 -6.729 -6.214 -1.250 1.00 -0.10 C ATOM 801 CD GLN A 51 -7.574 -5.001 -1.644 1.00 0.68 C ATOM 802 OE1 GLN A 51 -7.237 -3.880 -1.273 1.00 -0.47 O ATOM 803 NE2 GLN A 51 -8.658 -5.196 -2.398 1.00 -0.87 N ATOM 0 H GLN A 51 -7.030 -7.628 1.218 1.00 -0.46 H new ATOM 0 HA GLN A 51 -9.152 -6.696 -0.154 1.00 0.04 H new ATOM 0 HB2 GLN A 51 -6.757 -8.351 -1.027 1.00 -0.10 H new ATOM 0 HB3 GLN A 51 -7.907 -7.740 -2.199 1.00 -0.10 H new ATOM 0 HG2 GLN A 51 -6.300 -6.032 -0.265 1.00 -0.10 H new ATOM 0 HG3 GLN A 51 -5.897 -6.299 -1.949 1.00 -0.10 H new ATOM 0 HE21 GLN A 51 -8.913 -6.139 -2.691 1.00 -0.87 H new ATOM 0 HE22 GLN A 51 -9.232 -4.402 -2.681 1.00 -0.87 H new ATOM 812 N ALA A 52 -9.048 -10.007 -0.537 1.00 -0.46 N ATOM 813 CA ALA A 52 -9.810 -11.222 -0.810 1.00 0.04 C ATOM 814 C ALA A 52 -10.635 -11.122 -2.102 1.00 0.62 C ATOM 815 O ALA A 52 -10.113 -11.397 -3.183 1.00 -0.50 O ATOM 816 CB ALA A 52 -10.642 -11.604 0.423 1.00 -0.10 C ATOM 0 H ALA A 52 -8.063 -10.195 -0.348 1.00 -0.46 H new ATOM 0 HA ALA A 52 -9.110 -12.037 -0.997 1.00 0.04 H new ATOM 0 HB1 ALA A 52 -11.208 -12.511 0.213 1.00 -0.10 H new ATOM 0 HB2 ALA A 52 -9.978 -11.778 1.270 1.00 -0.10 H new ATOM 0 HB3 ALA A 52 -11.331 -10.794 0.662 1.00 -0.10 H new ATOM 822 N LYS A 53 -11.914 -10.736 -1.999 1.00 -0.46 N ATOM 823 CA LYS A 53 -12.804 -10.516 -3.131 1.00 0.04 C ATOM 824 C LYS A 53 -13.847 -9.455 -2.737 1.00 0.62 C ATOM 825 O LYS A 53 -13.517 -8.522 -2.006 1.00 -0.50 O ATOM 826 CB LYS A 53 -13.410 -11.862 -3.574 1.00 -0.10 C ATOM 827 CG LYS A 53 -13.802 -11.871 -5.063 1.00 -0.16 C ATOM 828 CD LYS A 53 -12.633 -12.212 -6.003 1.00 -0.18 C ATOM 829 CE LYS A 53 -12.188 -13.683 -5.962 1.00 -0.04 C ATOM 830 NZ LYS A 53 -13.276 -14.612 -6.314 1.00 -0.14 N ATOM 0 H LYS A 53 -12.363 -10.566 -1.099 1.00 -0.46 H new ATOM 0 HA LYS A 53 -12.270 -10.127 -3.998 1.00 0.04 H new ATOM 0 HB2 LYS A 53 -12.691 -12.660 -3.386 1.00 -0.10 H new ATOM 0 HB3 LYS A 53 -14.290 -12.077 -2.969 1.00 -0.10 H new ATOM 0 HG2 LYS A 53 -14.603 -12.594 -5.215 1.00 -0.16 H new ATOM 0 HG3 LYS A 53 -14.200 -10.893 -5.332 1.00 -0.16 H new ATOM 0 HD2 LYS A 53 -12.920 -11.961 -7.024 1.00 -0.18 H new ATOM 0 HD3 LYS A 53 -11.782 -11.581 -5.747 1.00 -0.18 H new ATOM 0 HE2 LYS A 53 -11.355 -13.827 -6.650 1.00 -0.04 H new ATOM 0 HE3 LYS A 53 -11.821 -13.920 -4.964 1.00 -0.04 H new ATOM 0 HZ1 LYS A 53 -12.886 -15.566 -6.454 1.00 -0.14 H new ATOM 0 HZ2 LYS A 53 -13.976 -14.633 -5.546 1.00 -0.14 H new ATOM 0 HZ3 LYS A 53 -13.734 -14.293 -7.191 1.00 -0.14 H new ATOM 844 N ALA A 54 -15.093 -9.588 -3.219 1.00 -0.46 N ATOM 845 CA ALA A 54 -16.187 -8.639 -3.028 1.00 0.04 C ATOM 846 C ALA A 54 -16.355 -8.217 -1.568 1.00 0.62 C ATOM 847 O ALA A 54 -16.581 -7.040 -1.307 1.00 -0.50 O ATOM 848 CB ALA A 54 -17.484 -9.247 -3.568 1.00 -0.10 C ATOM 0 H ALA A 54 -15.371 -10.396 -3.775 1.00 -0.46 H new ATOM 0 HA ALA A 54 -15.942 -7.733 -3.582 1.00 0.04 H new ATOM 0 HB1 ALA A 54 -18.303 -8.541 -3.427 1.00 -0.10 H new ATOM 0 HB2 ALA A 54 -17.370 -9.463 -4.630 1.00 -0.10 H new ATOM 0 HB3 ALA A 54 -17.704 -10.170 -3.032 1.00 -0.10 H new ATOM 854 N GLU A 55 -16.225 -9.182 -0.646 1.00 -0.46 N ATOM 855 CA GLU A 55 -16.218 -9.029 0.806 1.00 0.04 C ATOM 856 C GLU A 55 -15.663 -7.668 1.251 1.00 0.62 C ATOM 857 O GLU A 55 -16.360 -6.888 1.900 1.00 -0.50 O ATOM 858 CB GLU A 55 -15.392 -10.193 1.378 1.00 -0.18 C ATOM 859 CG GLU A 55 -15.393 -10.248 2.907 1.00 -0.40 C ATOM 860 CD GLU A 55 -14.466 -11.354 3.404 1.00 0.71 C ATOM 861 OE1 GLU A 55 -14.862 -12.532 3.268 1.00 -0.72 O ATOM 862 OE2 GLU A 55 -13.367 -11.005 3.889 1.00 -0.72 O ATOM 0 H GLU A 55 -16.114 -10.158 -0.921 1.00 -0.46 H new ATOM 0 HA GLU A 55 -17.239 -9.057 1.186 1.00 0.04 H new ATOM 0 HB2 GLU A 55 -15.784 -11.132 0.988 1.00 -0.18 H new ATOM 0 HB3 GLU A 55 -14.364 -10.106 1.026 1.00 -0.18 H new ATOM 0 HG2 GLU A 55 -15.072 -9.288 3.311 1.00 -0.40 H new ATOM 0 HG3 GLU A 55 -16.406 -10.424 3.270 1.00 -0.40 H new ATOM 869 N PHE A 56 -14.411 -7.390 0.869 1.00 -0.46 N ATOM 870 CA PHE A 56 -13.695 -6.165 1.190 1.00 0.04 C ATOM 871 C PHE A 56 -14.417 -4.946 0.618 1.00 0.62 C ATOM 872 O PHE A 56 -14.856 -4.076 1.369 1.00 -0.50 O ATOM 873 CB PHE A 56 -12.276 -6.293 0.632 1.00 -0.10 C ATOM 874 CG PHE A 56 -11.349 -5.118 0.876 1.00 -0.10 C ATOM 875 CD1 PHE A 56 -10.536 -5.100 2.024 1.00 -0.15 C ATOM 876 CD2 PHE A 56 -11.146 -4.160 -0.136 1.00 -0.15 C ATOM 877 CE1 PHE A 56 -9.468 -4.191 2.117 1.00 -0.15 C ATOM 878 CE2 PHE A 56 -10.114 -3.215 -0.016 1.00 -0.15 C ATOM 879 CZ PHE A 56 -9.252 -3.253 1.093 1.00 -0.15 C ATOM 0 H PHE A 56 -13.856 -8.038 0.310 1.00 -0.46 H new ATOM 0 HA PHE A 56 -13.653 -6.021 2.270 1.00 0.04 H new ATOM 0 HB2 PHE A 56 -11.819 -7.184 1.062 1.00 -0.10 H new ATOM 0 HB3 PHE A 56 -12.345 -6.457 -0.443 1.00 -0.10 H new ATOM 0 HD1 PHE A 56 -10.733 -5.786 2.835 1.00 -0.15 H new ATOM 0 HD2 PHE A 56 -11.785 -4.152 -1.006 1.00 -0.15 H new ATOM 0 HE1 PHE A 56 -8.813 -4.213 2.976 1.00 -0.15 H new ATOM 0 HE2 PHE A 56 -9.983 -2.459 -0.776 1.00 -0.15 H new ATOM 0 HZ PHE A 56 -8.424 -2.562 1.158 1.00 -0.15 H new ATOM 889 N TYR A 57 -14.548 -4.893 -0.714 1.00 -0.46 N ATOM 890 CA TYR A 57 -15.165 -3.780 -1.425 1.00 0.04 C ATOM 891 C TYR A 57 -16.685 -3.952 -1.484 1.00 0.62 C ATOM 892 O TYR A 57 -17.287 -3.911 -2.555 1.00 -0.50 O ATOM 893 CB TYR A 57 -14.500 -3.580 -2.798 1.00 -0.10 C ATOM 894 CG TYR A 57 -14.537 -4.758 -3.759 1.00 -0.03 C ATOM 895 CD1 TYR A 57 -13.573 -5.779 -3.655 1.00 0.00 C ATOM 896 CD2 TYR A 57 -15.412 -4.743 -4.862 1.00 0.00 C ATOM 897 CE1 TYR A 57 -13.486 -6.774 -4.643 1.00 -0.26 C ATOM 898 CE2 TYR A 57 -15.343 -5.755 -5.837 1.00 -0.26 C ATOM 899 CZ TYR A 57 -14.373 -6.767 -5.731 1.00 0.46 C ATOM 900 OH TYR A 57 -14.282 -7.734 -6.691 1.00 -0.53 O ATOM 0 H TYR A 57 -14.221 -5.636 -1.332 1.00 -0.46 H new ATOM 0 HA TYR A 57 -14.994 -2.854 -0.875 1.00 0.04 H new ATOM 0 HB2 TYR A 57 -14.977 -2.730 -3.285 1.00 -0.10 H new ATOM 0 HB3 TYR A 57 -13.457 -3.309 -2.633 1.00 -0.10 H new ATOM 0 HD1 TYR A 57 -12.898 -5.797 -2.812 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -16.140 -3.951 -4.960 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -12.735 -7.546 -4.565 1.00 -0.26 H new ATOM 0 HE2 TYR A 57 -16.035 -5.754 -6.666 1.00 -0.26 H new ATOM 0 HH TYR A 57 -14.970 -7.584 -7.373 1.00 -0.53 H new ATOM 910 N SER A 58 -17.308 -4.129 -0.313 1.00 -0.46 N ATOM 911 CA SER A 58 -18.748 -4.269 -0.157 1.00 0.04 C ATOM 912 C SER A 58 -19.125 -3.992 1.297 1.00 0.62 C ATOM 913 O SER A 58 -19.896 -3.072 1.567 1.00 -0.50 O ATOM 914 CB SER A 58 -19.211 -5.664 -0.599 1.00 0.02 C ATOM 915 OG SER A 58 -20.614 -5.765 -0.487 1.00 -0.55 O ATOM 0 H SER A 58 -16.804 -4.179 0.573 1.00 -0.46 H new ATOM 0 HA SER A 58 -19.254 -3.545 -0.796 1.00 0.04 H new ATOM 0 HB2 SER A 58 -18.906 -5.848 -1.629 1.00 0.02 H new ATOM 0 HB3 SER A 58 -18.733 -6.427 0.016 1.00 0.02 H new ATOM 0 HG SER A 58 -20.902 -6.657 -0.772 1.00 -0.55 H new ATOM 921 N GLU A 59 -18.564 -4.769 2.233 1.00 -0.46 N ATOM 922 CA GLU A 59 -18.912 -4.708 3.649 1.00 0.04 C ATOM 923 C GLU A 59 -18.118 -3.621 4.395 1.00 0.62 C ATOM 924 O GLU A 59 -17.917 -3.736 5.603 1.00 -0.50 O ATOM 925 CB GLU A 59 -18.711 -6.097 4.273 1.00 -0.18 C ATOM 926 CG GLU A 59 -19.548 -7.165 3.552 1.00 -0.40 C ATOM 927 CD GLU A 59 -19.382 -8.540 4.191 1.00 0.71 C ATOM 928 OE1 GLU A 59 -19.715 -8.655 5.391 1.00 -0.72 O ATOM 929 OE2 GLU A 59 -18.939 -9.455 3.465 1.00 -0.72 O ATOM 0 H GLU A 59 -17.848 -5.464 2.020 1.00 -0.46 H new ATOM 0 HA GLU A 59 -19.960 -4.424 3.743 1.00 0.04 H new ATOM 0 HB2 GLU A 59 -17.656 -6.368 4.228 1.00 -0.18 H new ATOM 0 HB3 GLU A 59 -18.987 -6.067 5.327 1.00 -0.18 H new ATOM 0 HG2 GLU A 59 -20.599 -6.879 3.573 1.00 -0.40 H new ATOM 0 HG3 GLU A 59 -19.252 -7.213 2.504 1.00 -0.40 H new ATOM 936 N VAL A 60 -17.699 -2.570 3.671 1.00 -0.46 N ATOM 937 CA VAL A 60 -16.952 -1.397 4.116 1.00 0.04 C ATOM 938 C VAL A 60 -15.630 -1.716 4.826 1.00 0.62 C ATOM 939 O VAL A 60 -15.359 -2.853 5.205 1.00 -0.50 O ATOM 940 CB VAL A 60 -17.837 -0.362 4.846 1.00 -0.01 C ATOM 941 CG1 VAL A 60 -19.207 -0.219 4.169 1.00 -0.09 C ATOM 942 CG2 VAL A 60 -18.040 -0.622 6.343 1.00 -0.09 C ATOM 0 H VAL A 60 -17.895 -2.522 2.671 1.00 -0.46 H new ATOM 0 HA VAL A 60 -16.629 -0.901 3.201 1.00 0.04 H new ATOM 0 HB VAL A 60 -17.274 0.568 4.767 1.00 -0.01 H new ATOM 0 HG11 VAL A 60 -19.804 0.517 4.708 1.00 -0.09 H new ATOM 0 HG12 VAL A 60 -19.071 0.109 3.138 1.00 -0.09 H new ATOM 0 HG13 VAL A 60 -19.720 -1.181 4.179 1.00 -0.09 H new ATOM 0 HG21 VAL A 60 -18.674 0.158 6.765 1.00 -0.09 H new ATOM 0 HG22 VAL A 60 -18.516 -1.592 6.482 1.00 -0.09 H new ATOM 0 HG23 VAL A 60 -17.074 -0.616 6.848 1.00 -0.09 H new ATOM 952 N LEU A 61 -14.781 -0.694 4.974 1.00 -0.46 N ATOM 953 CA LEU A 61 -13.474 -0.814 5.602 1.00 0.04 C ATOM 954 C LEU A 61 -13.026 0.546 6.147 1.00 0.62 C ATOM 955 O LEU A 61 -13.693 1.559 5.929 1.00 -0.50 O ATOM 956 CB LEU A 61 -12.455 -1.426 4.629 1.00 -0.06 C ATOM 957 CG LEU A 61 -12.343 -0.654 3.309 1.00 -0.01 C ATOM 958 CD1 LEU A 61 -10.871 -0.505 2.916 1.00 -0.11 C ATOM 959 CD2 LEU A 61 -13.104 -1.360 2.180 1.00 -0.11 C ATOM 0 H LEU A 61 -14.992 0.251 4.654 1.00 -0.46 H new ATOM 0 HA LEU A 61 -13.543 -1.497 6.449 1.00 0.04 H new ATOM 0 HB2 LEU A 61 -11.477 -1.457 5.109 1.00 -0.06 H new ATOM 0 HB3 LEU A 61 -12.738 -2.457 4.417 1.00 -0.06 H new ATOM 0 HG LEU A 61 -12.788 0.330 3.459 1.00 -0.01 H new ATOM 0 HD11 LEU A 61 -10.799 0.044 1.977 1.00 -0.11 H new ATOM 0 HD12 LEU A 61 -10.339 0.039 3.697 1.00 -0.11 H new ATOM 0 HD13 LEU A 61 -10.425 -1.492 2.794 1.00 -0.11 H new ATOM 0 HD21 LEU A 61 -13.004 -0.786 1.259 1.00 -0.11 H new ATOM 0 HD22 LEU A 61 -12.692 -2.358 2.032 1.00 -0.11 H new ATOM 0 HD23 LEU A 61 -14.158 -1.439 2.445 1.00 -0.11 H new ATOM 971 N THR A 62 -11.911 0.561 6.886 1.00 -0.46 N ATOM 972 CA THR A 62 -11.436 1.723 7.621 1.00 0.04 C ATOM 973 C THR A 62 -9.918 1.826 7.488 1.00 0.62 C ATOM 974 O THR A 62 -9.191 0.963 7.978 1.00 -0.50 O ATOM 975 CB THR A 62 -11.878 1.604 9.088 1.00 0.17 C ATOM 976 OG1 THR A 62 -13.272 1.366 9.148 1.00 -0.55 O ATOM 977 CG2 THR A 62 -11.554 2.884 9.862 1.00 -0.19 C ATOM 0 H THR A 62 -11.306 -0.254 6.987 1.00 -0.46 H new ATOM 0 HA THR A 62 -11.865 2.637 7.211 1.00 0.04 H new ATOM 0 HB THR A 62 -11.337 0.773 9.541 1.00 0.17 H new ATOM 0 HG1 THR A 62 -13.551 1.289 10.084 1.00 -0.55 H new ATOM 0 HG21 THR A 62 -11.877 2.775 10.897 1.00 -0.19 H new ATOM 0 HG22 THR A 62 -10.479 3.064 9.834 1.00 -0.19 H new ATOM 0 HG23 THR A 62 -12.075 3.726 9.407 1.00 -0.19 H new ATOM 985 N ILE A 63 -9.444 2.890 6.828 1.00 -0.46 N ATOM 986 CA ILE A 63 -8.026 3.147 6.639 1.00 0.04 C ATOM 987 C ILE A 63 -7.536 4.049 7.770 1.00 0.62 C ATOM 988 O ILE A 63 -7.923 5.213 7.843 1.00 -0.50 O ATOM 989 CB ILE A 63 -7.753 3.764 5.257 1.00 -0.01 C ATOM 990 CG1 ILE A 63 -8.371 2.903 4.140 1.00 -0.05 C ATOM 991 CG2 ILE A 63 -6.235 3.876 5.050 1.00 -0.09 C ATOM 992 CD1 ILE A 63 -8.101 3.469 2.746 1.00 -0.09 C ATOM 0 H ILE A 63 -10.046 3.599 6.409 1.00 -0.46 H new ATOM 0 HA ILE A 63 -7.475 2.207 6.671 1.00 0.04 H new ATOM 0 HB ILE A 63 -8.209 4.753 5.214 1.00 -0.01 H new ATOM 0 HG12 ILE A 63 -7.970 1.891 4.202 1.00 -0.05 H new ATOM 0 HG13 ILE A 63 -9.447 2.829 4.296 1.00 -0.05 H new ATOM 0 HG21 ILE A 63 -6.032 4.313 4.072 1.00 -0.09 H new ATOM 0 HG22 ILE A 63 -5.808 4.511 5.826 1.00 -0.09 H new ATOM 0 HG23 ILE A 63 -5.786 2.884 5.104 1.00 -0.09 H new ATOM 0 HD11 ILE A 63 -8.559 2.824 1.996 1.00 -0.09 H new ATOM 0 HD12 ILE A 63 -8.526 4.470 2.671 1.00 -0.09 H new ATOM 0 HD13 ILE A 63 -7.026 3.518 2.575 1.00 -0.09 H new ATOM 1004 N VAL A 64 -6.663 3.510 8.625 1.00 -0.46 N ATOM 1005 CA VAL A 64 -5.974 4.250 9.668 1.00 0.04 C ATOM 1006 C VAL A 64 -4.803 4.987 9.017 1.00 0.62 C ATOM 1007 O VAL A 64 -3.687 4.471 8.999 1.00 -0.50 O ATOM 1008 CB VAL A 64 -5.506 3.282 10.773 1.00 -0.01 C ATOM 1009 CG1 VAL A 64 -4.855 4.051 11.932 1.00 -0.09 C ATOM 1010 CG2 VAL A 64 -6.672 2.454 11.326 1.00 -0.09 C ATOM 0 H VAL A 64 -6.414 2.521 8.605 1.00 -0.46 H new ATOM 0 HA VAL A 64 -6.634 4.977 10.142 1.00 0.04 H new ATOM 0 HB VAL A 64 -4.777 2.611 10.319 1.00 -0.01 H new ATOM 0 HG11 VAL A 64 -4.533 3.348 12.700 1.00 -0.09 H new ATOM 0 HG12 VAL A 64 -3.992 4.605 11.562 1.00 -0.09 H new ATOM 0 HG13 VAL A 64 -5.577 4.747 12.358 1.00 -0.09 H new ATOM 0 HG21 VAL A 64 -6.305 1.783 12.103 1.00 -0.09 H new ATOM 0 HG22 VAL A 64 -7.424 3.121 11.748 1.00 -0.09 H new ATOM 0 HG23 VAL A 64 -7.117 1.869 10.521 1.00 -0.09 H new ATOM 1020 N VAL A 65 -5.057 6.185 8.475 1.00 -0.46 N ATOM 1021 CA VAL A 65 -4.022 7.036 7.900 1.00 0.04 C ATOM 1022 C VAL A 65 -3.383 7.822 9.044 1.00 0.62 C ATOM 1023 O VAL A 65 -3.796 8.946 9.324 1.00 -0.50 O ATOM 1024 CB VAL A 65 -4.610 7.955 6.812 1.00 -0.01 C ATOM 1025 CG1 VAL A 65 -3.498 8.777 6.142 1.00 -0.09 C ATOM 1026 CG2 VAL A 65 -5.317 7.133 5.729 1.00 -0.09 C ATOM 0 H VAL A 65 -5.993 6.588 8.426 1.00 -0.46 H new ATOM 0 HA VAL A 65 -3.258 6.438 7.404 1.00 0.04 H new ATOM 0 HB VAL A 65 -5.325 8.619 7.297 1.00 -0.01 H new ATOM 0 HG11 VAL A 65 -3.932 9.420 5.376 1.00 -0.09 H new ATOM 0 HG12 VAL A 65 -2.998 9.391 6.891 1.00 -0.09 H new ATOM 0 HG13 VAL A 65 -2.774 8.104 5.683 1.00 -0.09 H new ATOM 0 HG21 VAL A 65 -5.724 7.803 4.972 1.00 -0.09 H new ATOM 0 HG22 VAL A 65 -4.603 6.452 5.265 1.00 -0.09 H new ATOM 0 HG23 VAL A 65 -6.127 6.559 6.179 1.00 -0.09 H new ATOM 1036 N ASP A 66 -2.399 7.206 9.712 1.00 -0.46 N ATOM 1037 CA ASP A 66 -1.723 7.759 10.881 1.00 0.04 C ATOM 1038 C ASP A 66 -2.745 8.251 11.912 1.00 0.62 C ATOM 1039 O ASP A 66 -2.940 9.453 12.093 1.00 -0.50 O ATOM 1040 CB ASP A 66 -0.724 8.845 10.450 1.00 -0.40 C ATOM 1041 CG ASP A 66 0.053 9.430 11.629 1.00 0.71 C ATOM 1042 OD1 ASP A 66 0.373 8.650 12.553 1.00 -0.72 O ATOM 1043 OD2 ASP A 66 0.316 10.651 11.585 1.00 -0.72 O ATOM 0 H ASP A 66 -2.046 6.287 9.444 1.00 -0.46 H new ATOM 0 HA ASP A 66 -1.144 6.978 11.374 1.00 0.04 H new ATOM 0 HB2 ASP A 66 -0.022 8.423 9.731 1.00 -0.40 H new ATOM 0 HB3 ASP A 66 -1.260 9.645 9.940 1.00 -0.40 H new ATOM 1048 N GLY A 67 -3.436 7.307 12.560 1.00 -0.46 N ATOM 1049 CA GLY A 67 -4.454 7.597 13.558 1.00 0.04 C ATOM 1050 C GLY A 67 -5.827 7.847 12.929 1.00 0.62 C ATOM 1051 O GLY A 67 -6.822 7.313 13.414 1.00 -0.50 O ATOM 0 H GLY A 67 -3.297 6.309 12.399 1.00 -0.46 H new ATOM 0 HA2 GLY A 67 -4.523 6.763 14.257 1.00 0.04 H new ATOM 0 HA3 GLY A 67 -4.156 8.473 14.135 1.00 0.04 H new ATOM 1055 N LYS A 68 -5.890 8.672 11.876 1.00 -0.46 N ATOM 1056 CA LYS A 68 -7.145 9.112 11.279 1.00 0.04 C ATOM 1057 C LYS A 68 -7.858 7.945 10.591 1.00 0.62 C ATOM 1058 O LYS A 68 -7.431 7.498 9.528 1.00 -0.50 O ATOM 1059 CB LYS A 68 -6.897 10.264 10.295 1.00 -0.10 C ATOM 1060 CG LYS A 68 -6.310 11.494 11.004 1.00 -0.16 C ATOM 1061 CD LYS A 68 -6.032 12.654 10.040 1.00 -0.18 C ATOM 1062 CE LYS A 68 -7.313 13.236 9.427 1.00 -0.04 C ATOM 1063 NZ LYS A 68 -7.033 14.466 8.667 1.00 -0.14 N ATOM 0 H LYS A 68 -5.063 9.052 11.416 1.00 -0.46 H new ATOM 0 HA LYS A 68 -7.795 9.478 12.074 1.00 0.04 H new ATOM 0 HB2 LYS A 68 -6.215 9.934 9.512 1.00 -0.10 H new ATOM 0 HB3 LYS A 68 -7.834 10.536 9.808 1.00 -0.10 H new ATOM 0 HG2 LYS A 68 -7.002 11.827 11.778 1.00 -0.16 H new ATOM 0 HG3 LYS A 68 -5.384 11.212 11.505 1.00 -0.16 H new ATOM 0 HD2 LYS A 68 -5.498 13.442 10.571 1.00 -0.18 H new ATOM 0 HD3 LYS A 68 -5.377 12.308 9.241 1.00 -0.18 H new ATOM 0 HE2 LYS A 68 -7.772 12.497 8.770 1.00 -0.04 H new ATOM 0 HE3 LYS A 68 -8.032 13.451 10.218 1.00 -0.04 H new ATOM 0 HZ1 LYS A 68 -7.918 14.835 8.265 1.00 -0.14 H new ATOM 0 HZ2 LYS A 68 -6.617 15.178 9.300 1.00 -0.14 H new ATOM 0 HZ3 LYS A 68 -6.366 14.255 7.898 1.00 -0.14 H new ATOM 1077 N GLU A 69 -8.954 7.474 11.198 1.00 -0.46 N ATOM 1078 CA GLU A 69 -9.797 6.402 10.690 1.00 0.04 C ATOM 1079 C GLU A 69 -10.679 6.914 9.550 1.00 0.62 C ATOM 1080 O GLU A 69 -11.853 7.223 9.758 1.00 -0.50 O ATOM 1081 CB GLU A 69 -10.654 5.844 11.835 1.00 -0.18 C ATOM 1082 CG GLU A 69 -9.809 5.107 12.877 1.00 -0.40 C ATOM 1083 CD GLU A 69 -10.699 4.455 13.930 1.00 0.71 C ATOM 1084 OE1 GLU A 69 -11.119 3.303 13.682 1.00 -0.72 O ATOM 1085 OE2 GLU A 69 -10.956 5.124 14.954 1.00 -0.72 O ATOM 0 H GLU A 69 -9.284 7.847 12.088 1.00 -0.46 H new ATOM 0 HA GLU A 69 -9.170 5.603 10.295 1.00 0.04 H new ATOM 0 HB2 GLU A 69 -11.192 6.661 12.316 1.00 -0.18 H new ATOM 0 HB3 GLU A 69 -11.403 5.164 11.429 1.00 -0.18 H new ATOM 0 HG2 GLU A 69 -9.200 4.347 12.387 1.00 -0.40 H new ATOM 0 HG3 GLU A 69 -9.123 5.805 13.356 1.00 -0.40 H new ATOM 1092 N ILE A 70 -10.123 6.985 8.336 1.00 -0.46 N ATOM 1093 CA ILE A 70 -10.874 7.359 7.149 1.00 0.04 C ATOM 1094 C ILE A 70 -11.674 6.136 6.695 1.00 0.62 C ATOM 1095 O ILE A 70 -11.109 5.192 6.144 1.00 -0.50 O ATOM 1096 CB ILE A 70 -9.940 7.901 6.049 1.00 -0.01 C ATOM 1097 CG1 ILE A 70 -9.110 9.082 6.592 1.00 -0.05 C ATOM 1098 CG2 ILE A 70 -10.779 8.342 4.840 1.00 -0.09 C ATOM 1099 CD1 ILE A 70 -8.200 9.717 5.537 1.00 -0.09 C ATOM 0 H ILE A 70 -9.139 6.783 8.156 1.00 -0.46 H new ATOM 0 HA ILE A 70 -11.565 8.172 7.372 1.00 0.04 H new ATOM 0 HB ILE A 70 -9.252 7.115 5.737 1.00 -0.01 H new ATOM 0 HG12 ILE A 70 -9.786 9.842 6.984 1.00 -0.05 H new ATOM 0 HG13 ILE A 70 -8.501 8.736 7.427 1.00 -0.05 H new ATOM 0 HG21 ILE A 70 -10.121 8.726 4.061 1.00 -0.09 H new ATOM 0 HG22 ILE A 70 -11.339 7.489 4.455 1.00 -0.09 H new ATOM 0 HG23 ILE A 70 -11.474 9.124 5.145 1.00 -0.09 H new ATOM 0 HD11 ILE A 70 -7.644 10.541 5.984 1.00 -0.09 H new ATOM 0 HD12 ILE A 70 -7.501 8.969 5.162 1.00 -0.09 H new ATOM 0 HD13 ILE A 70 -8.806 10.093 4.713 1.00 -0.09 H new ATOM 1111 N LYS A 71 -12.990 6.158 6.931 1.00 -0.46 N ATOM 1112 CA LYS A 71 -13.903 5.113 6.496 1.00 0.04 C ATOM 1113 C LYS A 71 -14.067 5.185 4.978 1.00 0.62 C ATOM 1114 O LYS A 71 -14.375 6.252 4.448 1.00 -0.50 O ATOM 1115 CB LYS A 71 -15.261 5.276 7.190 1.00 -0.10 C ATOM 1116 CG LYS A 71 -15.143 5.133 8.714 1.00 -0.16 C ATOM 1117 CD LYS A 71 -16.515 5.084 9.398 1.00 -0.18 C ATOM 1118 CE LYS A 71 -17.305 6.388 9.224 1.00 -0.04 C ATOM 1119 NZ LYS A 71 -18.561 6.363 9.993 1.00 -0.14 N ATOM 0 H LYS A 71 -13.450 6.915 7.437 1.00 -0.46 H new ATOM 0 HA LYS A 71 -13.495 4.139 6.766 1.00 0.04 H new ATOM 0 HB2 LYS A 71 -15.678 6.254 6.948 1.00 -0.10 H new ATOM 0 HB3 LYS A 71 -15.957 4.529 6.808 1.00 -0.10 H new ATOM 0 HG2 LYS A 71 -14.588 4.225 8.950 1.00 -0.16 H new ATOM 0 HG3 LYS A 71 -14.570 5.970 9.113 1.00 -0.16 H new ATOM 0 HD2 LYS A 71 -17.093 4.256 8.988 1.00 -0.18 H new ATOM 0 HD3 LYS A 71 -16.381 4.883 10.461 1.00 -0.18 H new ATOM 0 HE2 LYS A 71 -16.695 7.231 9.549 1.00 -0.04 H new ATOM 0 HE3 LYS A 71 -17.526 6.543 8.168 1.00 -0.04 H new ATOM 0 HZ1 LYS A 71 -19.071 7.259 9.854 1.00 -0.14 H new ATOM 0 HZ2 LYS A 71 -19.153 5.573 9.666 1.00 -0.14 H new ATOM 0 HZ3 LYS A 71 -18.347 6.240 11.003 1.00 -0.14 H new ATOM 1133 N VAL A 72 -13.863 4.055 4.288 1.00 -0.46 N ATOM 1134 CA VAL A 72 -14.028 3.945 2.844 1.00 0.04 C ATOM 1135 C VAL A 72 -14.845 2.695 2.509 1.00 0.62 C ATOM 1136 O VAL A 72 -14.961 1.780 3.324 1.00 -0.50 O ATOM 1137 CB VAL A 72 -12.666 3.967 2.116 1.00 -0.01 C ATOM 1138 CG1 VAL A 72 -11.782 5.149 2.534 1.00 -0.09 C ATOM 1139 CG2 VAL A 72 -11.880 2.672 2.321 1.00 -0.09 C ATOM 0 H VAL A 72 -13.575 3.182 4.730 1.00 -0.46 H new ATOM 0 HA VAL A 72 -14.579 4.814 2.485 1.00 0.04 H new ATOM 0 HB VAL A 72 -12.917 4.076 1.061 1.00 -0.01 H new ATOM 0 HG11 VAL A 72 -10.839 5.109 1.988 1.00 -0.09 H new ATOM 0 HG12 VAL A 72 -12.294 6.084 2.307 1.00 -0.09 H new ATOM 0 HG13 VAL A 72 -11.584 5.095 3.604 1.00 -0.09 H new ATOM 0 HG21 VAL A 72 -10.930 2.735 1.790 1.00 -0.09 H new ATOM 0 HG22 VAL A 72 -11.692 2.525 3.385 1.00 -0.09 H new ATOM 0 HG23 VAL A 72 -12.456 1.831 1.934 1.00 -0.09 H new ATOM 1149 N LYS A 73 -15.412 2.668 1.299 1.00 -0.46 N ATOM 1150 CA LYS A 73 -16.136 1.526 0.756 1.00 0.04 C ATOM 1151 C LYS A 73 -15.260 0.773 -0.241 1.00 0.62 C ATOM 1152 O LYS A 73 -15.279 -0.455 -0.253 1.00 -0.50 O ATOM 1153 CB LYS A 73 -17.437 1.983 0.088 1.00 -0.10 C ATOM 1154 CG LYS A 73 -18.393 2.590 1.123 1.00 -0.16 C ATOM 1155 CD LYS A 73 -19.756 2.967 0.530 1.00 -0.18 C ATOM 1156 CE LYS A 73 -20.558 1.739 0.080 1.00 -0.04 C ATOM 1157 NZ LYS A 73 -21.932 2.100 -0.309 1.00 -0.14 N ATOM 0 H LYS A 73 -15.377 3.461 0.659 1.00 -0.46 H new ATOM 0 HA LYS A 73 -16.390 0.853 1.575 1.00 0.04 H new ATOM 0 HB2 LYS A 73 -17.216 2.718 -0.686 1.00 -0.10 H new ATOM 0 HB3 LYS A 73 -17.916 1.137 -0.404 1.00 -0.10 H new ATOM 0 HG2 LYS A 73 -18.540 1.878 1.935 1.00 -0.16 H new ATOM 0 HG3 LYS A 73 -17.934 3.478 1.557 1.00 -0.16 H new ATOM 0 HD2 LYS A 73 -20.331 3.521 1.272 1.00 -0.18 H new ATOM 0 HD3 LYS A 73 -19.608 3.632 -0.321 1.00 -0.18 H new ATOM 0 HE2 LYS A 73 -20.054 1.263 -0.762 1.00 -0.04 H new ATOM 0 HE3 LYS A 73 -20.588 1.008 0.888 1.00 -0.04 H new ATOM 0 HZ1 LYS A 73 -22.444 1.245 -0.607 1.00 -0.14 H new ATOM 0 HZ2 LYS A 73 -22.420 2.531 0.502 1.00 -0.14 H new ATOM 0 HZ3 LYS A 73 -21.903 2.779 -1.096 1.00 -0.14 H new ATOM 1171 N ALA A 74 -14.519 1.516 -1.077 1.00 -0.46 N ATOM 1172 CA ALA A 74 -13.697 1.018 -2.174 1.00 0.04 C ATOM 1173 C ALA A 74 -14.559 0.580 -3.360 1.00 0.62 C ATOM 1174 O ALA A 74 -15.669 0.084 -3.177 1.00 -0.50 O ATOM 1175 CB ALA A 74 -12.747 -0.102 -1.730 1.00 -0.10 C ATOM 0 H ALA A 74 -14.480 2.532 -0.996 1.00 -0.46 H new ATOM 0 HA ALA A 74 -13.072 1.849 -2.502 1.00 0.04 H new ATOM 0 HB1 ALA A 74 -12.157 -0.438 -2.583 1.00 -0.10 H new ATOM 0 HB2 ALA A 74 -12.081 0.273 -0.953 1.00 -0.10 H new ATOM 0 HB3 ALA A 74 -13.327 -0.937 -1.338 1.00 -0.10 H new ATOM 1181 N GLN A 75 -14.039 0.778 -4.576 1.00 -0.46 N ATOM 1182 CA GLN A 75 -14.692 0.376 -5.814 1.00 0.04 C ATOM 1183 C GLN A 75 -13.656 -0.284 -6.723 1.00 0.62 C ATOM 1184 O GLN A 75 -13.653 -1.508 -6.858 1.00 -0.50 O ATOM 1185 CB GLN A 75 -15.382 1.578 -6.479 1.00 -0.10 C ATOM 1186 CG GLN A 75 -16.486 2.163 -5.588 1.00 -0.10 C ATOM 1187 CD GLN A 75 -17.375 3.156 -6.335 1.00 0.68 C ATOM 1188 OE1 GLN A 75 -18.597 3.042 -6.301 1.00 -0.47 O ATOM 1189 NE2 GLN A 75 -16.771 4.136 -7.011 1.00 -0.87 N ATOM 0 H GLN A 75 -13.137 1.230 -4.724 1.00 -0.46 H new ATOM 0 HA GLN A 75 -15.478 -0.350 -5.608 1.00 0.04 H new ATOM 0 HB2 GLN A 75 -14.642 2.349 -6.695 1.00 -0.10 H new ATOM 0 HB3 GLN A 75 -15.809 1.270 -7.433 1.00 -0.10 H new ATOM 0 HG2 GLN A 75 -17.101 1.352 -5.197 1.00 -0.10 H new ATOM 0 HG3 GLN A 75 -16.032 2.660 -4.731 1.00 -0.10 H new ATOM 0 HE21 GLN A 75 -15.753 4.199 -7.017 1.00 -0.87 H new ATOM 0 HE22 GLN A 75 -17.328 4.821 -7.522 1.00 -0.87 H new ATOM 1198 N ASP A 76 -12.771 0.517 -7.331 1.00 -0.46 N ATOM 1199 CA ASP A 76 -11.718 0.019 -8.203 1.00 0.04 C ATOM 1200 C ASP A 76 -10.530 -0.437 -7.352 1.00 0.62 C ATOM 1201 O ASP A 76 -9.603 0.330 -7.089 1.00 -0.50 O ATOM 1202 CB ASP A 76 -11.338 1.085 -9.239 1.00 -0.40 C ATOM 1203 CG ASP A 76 -10.240 0.621 -10.201 1.00 0.71 C ATOM 1204 OD1 ASP A 76 -9.993 -0.604 -10.267 1.00 -0.72 O ATOM 1205 OD2 ASP A 76 -9.673 1.509 -10.873 1.00 -0.72 O ATOM 0 H ASP A 76 -12.772 1.532 -7.226 1.00 -0.46 H new ATOM 0 HA ASP A 76 -12.069 -0.846 -8.765 1.00 0.04 H new ATOM 0 HB2 ASP A 76 -12.224 1.358 -9.812 1.00 -0.40 H new ATOM 0 HB3 ASP A 76 -11.003 1.984 -8.721 1.00 -0.40 H new ATOM 1210 N VAL A 77 -10.583 -1.707 -6.940 1.00 -0.46 N ATOM 1211 CA VAL A 77 -9.477 -2.424 -6.331 1.00 0.04 C ATOM 1212 C VAL A 77 -8.722 -3.158 -7.441 1.00 0.62 C ATOM 1213 O VAL A 77 -9.213 -4.153 -7.972 1.00 -0.50 O ATOM 1214 CB VAL A 77 -9.980 -3.376 -5.227 1.00 -0.01 C ATOM 1215 CG1 VAL A 77 -10.371 -2.581 -3.976 1.00 -0.09 C ATOM 1216 CG2 VAL A 77 -11.184 -4.246 -5.618 1.00 -0.09 C ATOM 0 H VAL A 77 -11.426 -2.275 -7.027 1.00 -0.46 H new ATOM 0 HA VAL A 77 -8.795 -1.731 -5.838 1.00 0.04 H new ATOM 0 HB VAL A 77 -9.140 -4.047 -5.045 1.00 -0.01 H new ATOM 0 HG11 VAL A 77 -10.724 -3.266 -3.205 1.00 -0.09 H new ATOM 0 HG12 VAL A 77 -9.503 -2.035 -3.606 1.00 -0.09 H new ATOM 0 HG13 VAL A 77 -11.164 -1.876 -4.226 1.00 -0.09 H new ATOM 0 HG21 VAL A 77 -11.463 -4.880 -4.777 1.00 -0.09 H new ATOM 0 HG22 VAL A 77 -12.025 -3.605 -5.884 1.00 -0.09 H new ATOM 0 HG23 VAL A 77 -10.920 -4.871 -6.471 1.00 -0.09 H new ATOM 1226 N GLN A 78 -7.521 -2.683 -7.796 1.00 -0.46 N ATOM 1227 CA GLN A 78 -6.700 -3.322 -8.816 1.00 0.04 C ATOM 1228 C GLN A 78 -5.908 -4.463 -8.168 1.00 0.62 C ATOM 1229 O GLN A 78 -4.677 -4.450 -8.134 1.00 -0.50 O ATOM 1230 CB GLN A 78 -5.830 -2.264 -9.514 1.00 -0.10 C ATOM 1231 CG GLN A 78 -5.288 -2.745 -10.867 1.00 -0.10 C ATOM 1232 CD GLN A 78 -6.395 -3.006 -11.889 1.00 0.68 C ATOM 1233 OE1 GLN A 78 -6.535 -4.124 -12.380 1.00 -0.47 O ATOM 1234 NE2 GLN A 78 -7.188 -1.981 -12.208 1.00 -0.87 N ATOM 0 H GLN A 78 -7.099 -1.851 -7.384 1.00 -0.46 H new ATOM 0 HA GLN A 78 -7.309 -3.771 -9.601 1.00 0.04 H new ATOM 0 HB2 GLN A 78 -6.417 -1.357 -9.663 1.00 -0.10 H new ATOM 0 HB3 GLN A 78 -4.995 -2.000 -8.865 1.00 -0.10 H new ATOM 0 HG2 GLN A 78 -4.601 -1.998 -11.265 1.00 -0.10 H new ATOM 0 HG3 GLN A 78 -4.713 -3.659 -10.719 1.00 -0.10 H new ATOM 0 HE21 GLN A 78 -7.039 -1.068 -11.778 1.00 -0.87 H new ATOM 0 HE22 GLN A 78 -7.943 -2.111 -12.882 1.00 -0.87 H new ATOM 1243 N ARG A 79 -6.653 -5.446 -7.641 1.00 -0.46 N ATOM 1244 CA ARG A 79 -6.145 -6.635 -6.977 1.00 0.04 C ATOM 1245 C ARG A 79 -6.229 -7.837 -7.915 1.00 0.62 C ATOM 1246 O ARG A 79 -6.921 -7.784 -8.935 1.00 -0.50 O ATOM 1247 CB ARG A 79 -6.879 -6.853 -5.639 1.00 -0.08 C ATOM 1248 CG ARG A 79 -8.388 -7.147 -5.692 1.00 -0.10 C ATOM 1249 CD ARG A 79 -8.745 -8.571 -6.149 1.00 -0.23 C ATOM 1250 NE ARG A 79 -9.219 -8.587 -7.540 1.00 -0.32 N ATOM 1251 CZ ARG A 79 -10.472 -8.311 -7.939 1.00 0.76 C ATOM 1252 NH1 ARG A 79 -11.421 -7.999 -7.046 1.00 -0.62 N ATOM 1253 NH2 ARG A 79 -10.772 -8.345 -9.244 1.00 -0.62 N ATOM 0 H ARG A 79 -7.672 -5.424 -7.673 1.00 -0.46 H new ATOM 0 HA ARG A 79 -5.091 -6.503 -6.734 1.00 0.04 H new ATOM 0 HB2 ARG A 79 -6.394 -7.680 -5.121 1.00 -0.08 H new ATOM 0 HB3 ARG A 79 -6.732 -5.963 -5.027 1.00 -0.08 H new ATOM 0 HG2 ARG A 79 -8.813 -6.980 -4.702 1.00 -0.10 H new ATOM 0 HG3 ARG A 79 -8.861 -6.433 -6.367 1.00 -0.10 H new ATOM 0 HD2 ARG A 79 -7.871 -9.215 -6.054 1.00 -0.23 H new ATOM 0 HD3 ARG A 79 -9.515 -8.981 -5.496 1.00 -0.23 H new ATOM 0 HE ARG A 79 -8.540 -8.828 -8.263 1.00 -0.32 H new ATOM 0 HH11 ARG A 79 -11.196 -7.969 -6.052 1.00 -0.62 H new ATOM 0 HH12 ARG A 79 -12.369 -7.791 -7.361 1.00 -0.62 H new ATOM 0 HH21 ARG A 79 -10.052 -8.579 -9.927 1.00 -0.62 H new ATOM 0 HH22 ARG A 79 -11.721 -8.137 -9.555 1.00 -0.62 H new ATOM 1267 N HIS A 80 -5.534 -8.925 -7.567 1.00 -0.46 N ATOM 1268 CA HIS A 80 -5.530 -10.163 -8.330 1.00 0.04 C ATOM 1269 C HIS A 80 -5.725 -11.333 -7.358 1.00 0.62 C ATOM 1270 O HIS A 80 -4.962 -11.441 -6.400 1.00 -0.50 O ATOM 1271 CB HIS A 80 -4.199 -10.274 -9.081 1.00 -0.10 C ATOM 1272 CG HIS A 80 -4.224 -11.259 -10.221 1.00 -0.03 C ATOM 1273 ND1 HIS A 80 -4.524 -12.598 -10.132 1.00 -0.15 N ATOM 1274 CD2 HIS A 80 -3.967 -10.983 -11.538 1.00 0.20 C ATOM 1275 CE1 HIS A 80 -4.453 -13.115 -11.370 1.00 0.24 C ATOM 1276 NE2 HIS A 80 -4.110 -12.171 -12.260 1.00 -0.50 N ATOM 0 H HIS A 80 -4.950 -8.964 -6.731 1.00 -0.46 H new ATOM 0 HA HIS A 80 -6.338 -10.180 -9.061 1.00 0.04 H new ATOM 0 HB2 HIS A 80 -3.928 -9.292 -9.468 1.00 -0.10 H new ATOM 0 HB3 HIS A 80 -3.419 -10.566 -8.378 1.00 -0.10 H new ATOM 0 HD1 HIS A 80 -4.758 -13.107 -9.280 1.00 -0.15 H new ATOM 0 HD2 HIS A 80 -3.701 -10.019 -11.946 1.00 0.20 H new ATOM 0 HE1 HIS A 80 -4.646 -14.149 -11.615 1.00 0.24 H new ATOM 1284 N PRO A 81 -6.729 -12.203 -7.567 1.00 -0.23 N ATOM 1285 CA PRO A 81 -6.959 -13.372 -6.727 1.00 0.04 C ATOM 1286 C PRO A 81 -6.028 -14.521 -7.133 1.00 0.53 C ATOM 1287 O PRO A 81 -5.369 -14.457 -8.169 1.00 -0.50 O ATOM 1288 CB PRO A 81 -8.427 -13.733 -6.961 1.00 -0.12 C ATOM 1289 CG PRO A 81 -8.636 -13.347 -8.424 1.00 -0.12 C ATOM 1290 CD PRO A 81 -7.765 -12.101 -8.583 1.00 -0.01 C ATOM 0 HA PRO A 81 -6.753 -13.178 -5.674 1.00 0.04 H new ATOM 0 HB2 PRO A 81 -8.616 -14.793 -6.790 1.00 -0.12 H new ATOM 0 HB3 PRO A 81 -9.091 -13.180 -6.297 1.00 -0.12 H new ATOM 0 HG2 PRO A 81 -8.326 -14.144 -9.099 1.00 -0.12 H new ATOM 0 HG3 PRO A 81 -9.684 -13.136 -8.639 1.00 -0.12 H new ATOM 0 HD2 PRO A 81 -7.329 -12.054 -9.581 1.00 -0.01 H new ATOM 0 HD3 PRO A 81 -8.354 -11.194 -8.450 1.00 -0.01 H new ATOM 1298 N TYR A 82 -5.992 -15.578 -6.313 1.00 -0.46 N ATOM 1299 CA TYR A 82 -5.186 -16.782 -6.509 1.00 0.04 C ATOM 1300 C TYR A 82 -3.703 -16.487 -6.259 1.00 0.62 C ATOM 1301 O TYR A 82 -3.161 -16.900 -5.236 1.00 -0.50 O ATOM 1302 CB TYR A 82 -5.445 -17.445 -7.877 1.00 -0.10 C ATOM 1303 CG TYR A 82 -6.905 -17.516 -8.290 1.00 -0.03 C ATOM 1304 CD1 TYR A 82 -7.829 -18.225 -7.498 1.00 0.00 C ATOM 1305 CD2 TYR A 82 -7.346 -16.847 -9.448 1.00 0.00 C ATOM 1306 CE1 TYR A 82 -9.189 -18.254 -7.857 1.00 -0.26 C ATOM 1307 CE2 TYR A 82 -8.705 -16.878 -9.805 1.00 -0.26 C ATOM 1308 CZ TYR A 82 -9.628 -17.579 -9.009 1.00 0.46 C ATOM 1309 OH TYR A 82 -10.947 -17.597 -9.355 1.00 -0.53 O ATOM 0 H TYR A 82 -6.549 -15.616 -5.459 1.00 -0.46 H new ATOM 0 HA TYR A 82 -5.498 -17.518 -5.768 1.00 0.04 H new ATOM 0 HB2 TYR A 82 -4.893 -16.896 -8.640 1.00 -0.10 H new ATOM 0 HB3 TYR A 82 -5.039 -18.456 -7.856 1.00 -0.10 H new ATOM 0 HD1 TYR A 82 -7.493 -18.747 -6.614 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.639 -16.309 -10.063 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.897 -18.796 -7.247 1.00 -0.26 H new ATOM 0 HE2 TYR A 82 -9.041 -16.362 -10.692 1.00 -0.26 H new ATOM 0 HH TYR A 82 -11.077 -17.080 -10.177 1.00 -0.53 H new ATOM 1319 N LYS A 83 -3.061 -15.756 -7.180 1.00 -0.46 N ATOM 1320 CA LYS A 83 -1.702 -15.261 -7.017 1.00 0.04 C ATOM 1321 C LYS A 83 -1.748 -13.898 -6.314 1.00 0.62 C ATOM 1322 O LYS A 83 -2.598 -13.076 -6.651 1.00 -0.50 O ATOM 1323 CB LYS A 83 -0.975 -15.184 -8.369 1.00 -0.10 C ATOM 1324 CG LYS A 83 -1.722 -14.382 -9.446 1.00 -0.16 C ATOM 1325 CD LYS A 83 -0.824 -14.037 -10.642 1.00 -0.18 C ATOM 1326 CE LYS A 83 -0.278 -15.281 -11.351 1.00 -0.04 C ATOM 1327 NZ LYS A 83 0.490 -14.919 -12.555 1.00 -0.14 N ATOM 0 H LYS A 83 -3.484 -15.492 -8.070 1.00 -0.46 H new ATOM 0 HA LYS A 83 -1.133 -15.955 -6.398 1.00 0.04 H new ATOM 0 HB2 LYS A 83 0.007 -14.736 -8.215 1.00 -0.10 H new ATOM 0 HB3 LYS A 83 -0.809 -16.197 -8.737 1.00 -0.10 H new ATOM 0 HG2 LYS A 83 -2.581 -14.956 -9.793 1.00 -0.16 H new ATOM 0 HG3 LYS A 83 -2.109 -13.462 -9.008 1.00 -0.16 H new ATOM 0 HD2 LYS A 83 -1.390 -13.437 -11.355 1.00 -0.18 H new ATOM 0 HD3 LYS A 83 0.010 -13.424 -10.300 1.00 -0.18 H new ATOM 0 HE2 LYS A 83 0.358 -15.842 -10.667 1.00 -0.04 H new ATOM 0 HE3 LYS A 83 -1.104 -15.936 -11.628 1.00 -0.04 H new ATOM 0 HZ1 LYS A 83 0.846 -15.783 -13.012 1.00 -0.14 H new ATOM 0 HZ2 LYS A 83 -0.125 -14.405 -13.218 1.00 -0.14 H new ATOM 0 HZ3 LYS A 83 1.292 -14.314 -12.286 1.00 -0.14 H new ATOM 1341 N PRO A 84 -0.865 -13.635 -5.338 1.00 -0.23 N ATOM 1342 CA PRO A 84 -0.868 -12.392 -4.588 1.00 0.04 C ATOM 1343 C PRO A 84 -0.233 -11.267 -5.409 1.00 0.53 C ATOM 1344 O PRO A 84 0.989 -11.128 -5.436 1.00 -0.50 O ATOM 1345 CB PRO A 84 -0.081 -12.696 -3.309 1.00 -0.12 C ATOM 1346 CG PRO A 84 0.915 -13.766 -3.756 1.00 -0.12 C ATOM 1347 CD PRO A 84 0.123 -14.558 -4.796 1.00 -0.01 C ATOM 0 HA PRO A 84 -1.874 -12.046 -4.352 1.00 0.04 H new ATOM 0 HB2 PRO A 84 0.425 -11.809 -2.928 1.00 -0.12 H new ATOM 0 HB3 PRO A 84 -0.731 -13.059 -2.513 1.00 -0.12 H new ATOM 0 HG2 PRO A 84 1.816 -13.326 -4.184 1.00 -0.12 H new ATOM 0 HG3 PRO A 84 1.232 -14.395 -2.924 1.00 -0.12 H new ATOM 0 HD2 PRO A 84 0.778 -14.934 -5.582 1.00 -0.01 H new ATOM 0 HD3 PRO A 84 -0.360 -15.424 -4.342 1.00 -0.01 H new ATOM 1355 N LYS A 85 -1.071 -10.449 -6.057 1.00 -0.46 N ATOM 1356 CA LYS A 85 -0.669 -9.188 -6.668 1.00 0.04 C ATOM 1357 C LYS A 85 -1.710 -8.120 -6.341 1.00 0.62 C ATOM 1358 O LYS A 85 -2.910 -8.393 -6.342 1.00 -0.50 O ATOM 1359 CB LYS A 85 -0.477 -9.329 -8.185 1.00 -0.10 C ATOM 1360 CG LYS A 85 0.812 -10.054 -8.595 1.00 -0.16 C ATOM 1361 CD LYS A 85 2.069 -9.285 -8.154 1.00 -0.18 C ATOM 1362 CE LYS A 85 3.335 -9.789 -8.857 1.00 -0.04 C ATOM 1363 NZ LYS A 85 3.378 -9.384 -10.274 1.00 -0.14 N ATOM 0 H LYS A 85 -2.064 -10.654 -6.170 1.00 -0.46 H new ATOM 0 HA LYS A 85 0.296 -8.890 -6.257 1.00 0.04 H new ATOM 0 HB2 LYS A 85 -1.330 -9.867 -8.599 1.00 -0.10 H new ATOM 0 HB3 LYS A 85 -0.479 -8.335 -8.633 1.00 -0.10 H new ATOM 0 HG2 LYS A 85 0.823 -11.051 -8.154 1.00 -0.16 H new ATOM 0 HG3 LYS A 85 0.827 -10.184 -9.677 1.00 -0.16 H new ATOM 0 HD2 LYS A 85 1.936 -8.224 -8.366 1.00 -0.18 H new ATOM 0 HD3 LYS A 85 2.192 -9.382 -7.075 1.00 -0.18 H new ATOM 0 HE2 LYS A 85 4.214 -9.401 -8.342 1.00 -0.04 H new ATOM 0 HE3 LYS A 85 3.379 -10.876 -8.789 1.00 -0.04 H new ATOM 0 HZ1 LYS A 85 4.323 -9.579 -10.662 1.00 -0.14 H new ATOM 0 HZ2 LYS A 85 2.666 -9.920 -10.810 1.00 -0.14 H new ATOM 0 HZ3 LYS A 85 3.176 -8.367 -10.351 1.00 -0.14 H new ATOM 1377 N LEU A 86 -1.223 -6.910 -6.041 1.00 -0.46 N ATOM 1378 CA LEU A 86 -2.021 -5.773 -5.622 1.00 0.04 C ATOM 1379 C LEU A 86 -1.358 -4.510 -6.162 1.00 0.62 C ATOM 1380 O LEU A 86 -0.404 -4.002 -5.574 1.00 -0.50 O ATOM 1381 CB LEU A 86 -2.121 -5.780 -4.092 1.00 -0.06 C ATOM 1382 CG LEU A 86 -3.050 -4.704 -3.517 1.00 -0.01 C ATOM 1383 CD1 LEU A 86 -4.469 -4.844 -4.075 1.00 -0.11 C ATOM 1384 CD2 LEU A 86 -3.083 -4.872 -1.995 1.00 -0.11 C ATOM 0 H LEU A 86 -0.226 -6.698 -6.088 1.00 -0.46 H new ATOM 0 HA LEU A 86 -3.037 -5.817 -6.014 1.00 0.04 H new ATOM 0 HB2 LEU A 86 -2.473 -6.759 -3.767 1.00 -0.06 H new ATOM 0 HB3 LEU A 86 -1.124 -5.644 -3.673 1.00 -0.06 H new ATOM 0 HG LEU A 86 -2.676 -3.718 -3.795 1.00 -0.01 H new ATOM 0 HD11 LEU A 86 -5.105 -4.068 -3.650 1.00 -0.11 H new ATOM 0 HD12 LEU A 86 -4.445 -4.740 -5.160 1.00 -0.11 H new ATOM 0 HD13 LEU A 86 -4.868 -5.824 -3.813 1.00 -0.11 H new ATOM 0 HD21 LEU A 86 -3.738 -4.117 -1.560 1.00 -0.11 H new ATOM 0 HD22 LEU A 86 -3.458 -5.865 -1.747 1.00 -0.11 H new ATOM 0 HD23 LEU A 86 -2.076 -4.754 -1.594 1.00 -0.11 H new ATOM 1396 N GLN A 87 -1.843 -4.034 -7.313 1.00 -0.46 N ATOM 1397 CA GLN A 87 -1.214 -2.957 -8.056 1.00 0.04 C ATOM 1398 C GLN A 87 -1.515 -1.609 -7.403 1.00 0.62 C ATOM 1399 O GLN A 87 -0.605 -0.815 -7.176 1.00 -0.50 O ATOM 1400 CB GLN A 87 -1.691 -2.978 -9.516 1.00 -0.10 C ATOM 1401 CG GLN A 87 -1.503 -4.342 -10.199 1.00 -0.10 C ATOM 1402 CD GLN A 87 -0.055 -4.822 -10.156 1.00 0.68 C ATOM 1403 OE1 GLN A 87 0.264 -5.796 -9.478 1.00 -0.47 O ATOM 1404 NE2 GLN A 87 0.830 -4.139 -10.886 1.00 -0.87 N ATOM 0 H GLN A 87 -2.690 -4.394 -7.752 1.00 -0.46 H new ATOM 0 HA GLN A 87 -0.134 -3.103 -8.043 1.00 0.04 H new ATOM 0 HB2 GLN A 87 -2.746 -2.705 -9.550 1.00 -0.10 H new ATOM 0 HB3 GLN A 87 -1.147 -2.220 -10.079 1.00 -0.10 H new ATOM 0 HG2 GLN A 87 -2.142 -5.079 -9.713 1.00 -0.10 H new ATOM 0 HG3 GLN A 87 -1.829 -4.273 -11.237 1.00 -0.10 H new ATOM 0 HE21 GLN A 87 0.526 -3.336 -11.436 1.00 -0.87 H new ATOM 0 HE22 GLN A 87 1.810 -4.421 -10.894 1.00 -0.87 H new ATOM 1413 N HIS A 88 -2.799 -1.347 -7.128 1.00 -0.46 N ATOM 1414 CA HIS A 88 -3.285 -0.067 -6.638 1.00 0.04 C ATOM 1415 C HIS A 88 -4.712 -0.241 -6.109 1.00 0.62 C ATOM 1416 O HIS A 88 -5.393 -1.196 -6.479 1.00 -0.50 O ATOM 1417 CB HIS A 88 -3.256 0.952 -7.787 1.00 -0.10 C ATOM 1418 CG HIS A 88 -3.518 2.368 -7.346 1.00 -0.03 C ATOM 1419 ND1 HIS A 88 -4.695 3.069 -7.497 1.00 -0.15 N ATOM 1420 CD2 HIS A 88 -2.615 3.200 -6.741 1.00 0.20 C ATOM 1421 CE1 HIS A 88 -4.494 4.298 -6.993 1.00 0.24 C ATOM 1422 NE2 HIS A 88 -3.245 4.426 -6.518 1.00 -0.50 N ATOM 0 H HIS A 88 -3.539 -2.039 -7.245 1.00 -0.46 H new ATOM 0 HA HIS A 88 -2.652 0.295 -5.828 1.00 0.04 H new ATOM 0 HB2 HIS A 88 -2.283 0.907 -8.276 1.00 -0.10 H new ATOM 0 HB3 HIS A 88 -4.000 0.669 -8.531 1.00 -0.10 H new ATOM 0 HD1 HIS A 88 -5.558 2.720 -7.914 1.00 -0.15 H new ATOM 0 HD2 HIS A 88 -1.596 2.952 -6.482 1.00 0.20 H new ATOM 0 HE1 HIS A 88 -5.239 5.080 -6.973 1.00 0.24 H new ATOM 1430 N ILE A 89 -5.170 0.691 -5.262 1.00 -0.46 N ATOM 1431 CA ILE A 89 -6.584 0.849 -4.956 1.00 0.04 C ATOM 1432 C ILE A 89 -6.930 2.332 -5.054 1.00 0.62 C ATOM 1433 O ILE A 89 -6.230 3.175 -4.489 1.00 -0.50 O ATOM 1434 CB ILE A 89 -6.971 0.312 -3.564 1.00 -0.01 C ATOM 1435 CG1 ILE A 89 -6.609 -1.160 -3.300 1.00 -0.05 C ATOM 1436 CG2 ILE A 89 -8.494 0.466 -3.409 1.00 -0.09 C ATOM 1437 CD1 ILE A 89 -5.148 -1.364 -2.893 1.00 -0.09 C ATOM 0 H ILE A 89 -4.565 1.352 -4.774 1.00 -0.46 H new ATOM 0 HA ILE A 89 -7.150 0.259 -5.677 1.00 0.04 H new ATOM 0 HB ILE A 89 -6.396 0.893 -2.843 1.00 -0.01 H new ATOM 0 HG12 ILE A 89 -7.255 -1.550 -2.513 1.00 -0.05 H new ATOM 0 HG13 ILE A 89 -6.813 -1.743 -4.198 1.00 -0.05 H new ATOM 0 HG21 ILE A 89 -8.800 0.094 -2.431 1.00 -0.09 H new ATOM 0 HG22 ILE A 89 -8.764 1.518 -3.497 1.00 -0.09 H new ATOM 0 HG23 ILE A 89 -8.999 -0.105 -4.189 1.00 -0.09 H new ATOM 0 HD11 ILE A 89 -4.962 -2.424 -2.723 1.00 -0.09 H new ATOM 0 HD12 ILE A 89 -4.495 -1.005 -3.688 1.00 -0.09 H new ATOM 0 HD13 ILE A 89 -4.944 -0.808 -1.978 1.00 -0.09 H new ATOM 1449 N ASP A 90 -8.035 2.624 -5.745 1.00 -0.46 N ATOM 1450 CA ASP A 90 -8.649 3.938 -5.814 1.00 0.04 C ATOM 1451 C ASP A 90 -9.841 3.926 -4.855 1.00 0.62 C ATOM 1452 O ASP A 90 -10.984 3.738 -5.271 1.00 -0.50 O ATOM 1453 CB ASP A 90 -9.049 4.229 -7.267 1.00 -0.40 C ATOM 1454 CG ASP A 90 -7.833 4.292 -8.192 1.00 0.71 C ATOM 1455 OD1 ASP A 90 -7.320 3.207 -8.543 1.00 -0.72 O ATOM 1456 OD2 ASP A 90 -7.420 5.427 -8.520 1.00 -0.72 O ATOM 0 H ASP A 90 -8.539 1.923 -6.288 1.00 -0.46 H new ATOM 0 HA ASP A 90 -7.969 4.735 -5.514 1.00 0.04 H new ATOM 0 HB2 ASP A 90 -9.732 3.455 -7.617 1.00 -0.40 H new ATOM 0 HB3 ASP A 90 -9.589 5.175 -7.312 1.00 -0.40 H new ATOM 1461 N PHE A 91 -9.560 4.087 -3.555 1.00 -0.46 N ATOM 1462 CA PHE A 91 -10.558 4.027 -2.495 1.00 0.04 C ATOM 1463 C PHE A 91 -11.534 5.200 -2.611 1.00 0.62 C ATOM 1464 O PHE A 91 -11.179 6.250 -3.138 1.00 -0.50 O ATOM 1465 CB PHE A 91 -9.880 4.057 -1.120 1.00 -0.10 C ATOM 1466 CG PHE A 91 -8.960 2.895 -0.804 1.00 -0.10 C ATOM 1467 CD1 PHE A 91 -9.510 1.669 -0.391 1.00 -0.15 C ATOM 1468 CD2 PHE A 91 -7.565 3.084 -0.744 1.00 -0.15 C ATOM 1469 CE1 PHE A 91 -8.677 0.632 0.062 1.00 -0.15 C ATOM 1470 CE2 PHE A 91 -6.735 2.055 -0.265 1.00 -0.15 C ATOM 1471 CZ PHE A 91 -7.288 0.824 0.125 1.00 -0.15 C ATOM 0 H PHE A 91 -8.616 4.265 -3.212 1.00 -0.46 H new ATOM 0 HA PHE A 91 -11.110 3.093 -2.600 1.00 0.04 H new ATOM 0 HB2 PHE A 91 -9.306 4.980 -1.041 1.00 -0.10 H new ATOM 0 HB3 PHE A 91 -10.656 4.098 -0.356 1.00 -0.10 H new ATOM 0 HD1 PHE A 91 -10.580 1.523 -0.422 1.00 -0.15 H new ATOM 0 HD2 PHE A 91 -7.133 4.020 -1.066 1.00 -0.15 H new ATOM 0 HE1 PHE A 91 -9.106 -0.313 0.362 1.00 -0.15 H new ATOM 0 HE2 PHE A 91 -5.669 2.212 -0.197 1.00 -0.15 H new ATOM 0 HZ PHE A 91 -6.646 0.028 0.472 1.00 -0.15 H new ATOM 1481 N VAL A 92 -12.760 5.027 -2.101 1.00 -0.46 N ATOM 1482 CA VAL A 92 -13.803 6.048 -2.120 1.00 0.04 C ATOM 1483 C VAL A 92 -14.406 6.138 -0.718 1.00 0.62 C ATOM 1484 O VAL A 92 -14.852 5.122 -0.186 1.00 -0.50 O ATOM 1485 CB VAL A 92 -14.868 5.695 -3.175 1.00 -0.01 C ATOM 1486 CG1 VAL A 92 -15.948 6.783 -3.234 1.00 -0.09 C ATOM 1487 CG2 VAL A 92 -14.238 5.549 -4.566 1.00 -0.09 C ATOM 0 H VAL A 92 -13.055 4.157 -1.657 1.00 -0.46 H new ATOM 0 HA VAL A 92 -13.389 7.018 -2.393 1.00 0.04 H new ATOM 0 HB VAL A 92 -15.316 4.746 -2.882 1.00 -0.01 H new ATOM 0 HG11 VAL A 92 -16.692 6.517 -3.985 1.00 -0.09 H new ATOM 0 HG12 VAL A 92 -16.430 6.870 -2.260 1.00 -0.09 H new ATOM 0 HG13 VAL A 92 -15.490 7.736 -3.499 1.00 -0.09 H new ATOM 0 HG21 VAL A 92 -15.012 5.300 -5.292 1.00 -0.09 H new ATOM 0 HG22 VAL A 92 -13.763 6.488 -4.851 1.00 -0.09 H new ATOM 0 HG23 VAL A 92 -13.491 4.756 -4.546 1.00 -0.09 H new ATOM 1497 N ARG A 93 -14.417 7.343 -0.127 1.00 -0.46 N ATOM 1498 CA ARG A 93 -14.911 7.561 1.228 1.00 0.04 C ATOM 1499 C ARG A 93 -16.364 7.110 1.399 1.00 0.62 C ATOM 1500 O ARG A 93 -17.182 7.253 0.491 1.00 -0.50 O ATOM 1501 CB ARG A 93 -14.768 9.030 1.644 1.00 -0.08 C ATOM 1502 CG ARG A 93 -13.306 9.425 1.888 1.00 -0.10 C ATOM 1503 CD ARG A 93 -13.261 10.758 2.642 1.00 -0.23 C ATOM 1504 NE ARG A 93 -11.878 11.191 2.892 1.00 -0.32 N ATOM 1505 CZ ARG A 93 -11.526 12.167 3.747 1.00 0.76 C ATOM 1506 NH1 ARG A 93 -12.452 12.812 4.473 1.00 -0.62 N ATOM 1507 NH2 ARG A 93 -10.237 12.503 3.874 1.00 -0.62 N ATOM 0 H ARG A 93 -14.081 8.192 -0.583 1.00 -0.46 H new ATOM 0 HA ARG A 93 -14.292 6.946 1.881 1.00 0.04 H new ATOM 0 HB2 ARG A 93 -15.190 9.668 0.868 1.00 -0.08 H new ATOM 0 HB3 ARG A 93 -15.346 9.207 2.551 1.00 -0.08 H new ATOM 0 HG2 ARG A 93 -12.799 8.651 2.464 1.00 -0.10 H new ATOM 0 HG3 ARG A 93 -12.778 9.513 0.939 1.00 -0.10 H new ATOM 0 HD2 ARG A 93 -13.783 11.521 2.065 1.00 -0.23 H new ATOM 0 HD3 ARG A 93 -13.789 10.658 3.590 1.00 -0.23 H new ATOM 0 HE ARG A 93 -11.133 10.717 2.381 1.00 -0.32 H new ATOM 0 HH11 ARG A 93 -13.437 12.564 4.380 1.00 -0.62 H new ATOM 0 HH12 ARG A 93 -12.171 13.551 5.118 1.00 -0.62 H new ATOM 0 HH21 ARG A 93 -9.527 12.019 3.324 1.00 -0.62 H new ATOM 0 HH22 ARG A 93 -9.964 13.243 4.521 1.00 -0.62 H new ATOM 1521 N ALA A 94 -16.674 6.578 2.587 1.00 -0.46 N ATOM 1522 CA ALA A 94 -18.005 6.136 2.967 1.00 0.04 C ATOM 1523 C ALA A 94 -18.850 7.337 3.381 1.00 0.62 C ATOM 1524 O ALA A 94 -18.564 7.988 4.383 1.00 -0.50 O ATOM 1525 CB ALA A 94 -17.895 5.112 4.100 1.00 -0.10 C ATOM 0 H ALA A 94 -15.982 6.443 3.324 1.00 -0.46 H new ATOM 0 HA ALA A 94 -18.496 5.658 2.119 1.00 0.04 H new ATOM 0 HB1 ALA A 94 -18.892 4.779 4.387 1.00 -0.10 H new ATOM 0 HB2 ALA A 94 -17.310 4.257 3.762 1.00 -0.10 H new ATOM 0 HB3 ALA A 94 -17.405 5.571 4.959 1.00 -0.10 H new