USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 776 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 1 GLN : amide:sc= -0.0248 X(o=-0.094,f=-0.069) USER MOD Set 1.2: A 72 MET CE :methyl -149:sc= -0.0693 (180deg=-0.056) USER MOD Set 2.1: A 69 SER OG : rot -128:sc= 0.143 USER MOD Set 2.2: A 71 SER OG : rot 180:sc= 0.0419 USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.383 X(o=-0.38,f=0.0024) USER MOD Single : A 11 ASN : amide:sc= -0.024 K(o=-0.024,f=-0.81) USER MOD Single : A 20 SER OG : rot 44:sc= 0.0429 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 117:sc= 1.2 USER MOD Single : A 30 HIS : no HD1:sc= -0.301 X(o=-0.3,f=-0.09) USER MOD Single : A 31 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0393) USER MOD Single : A 33 THR OG1 : rot 74:sc= 1.23 USER MOD Single : A 34 THR OG1 : rot 86:sc= 1.21 USER MOD Single : A 38 GLN : amide:sc= -1.23 K(o=-1.2,f=-2) USER MOD Single : A 43 HIS : no HD1:sc= -1.13 X(o=-1.1,f=-1.4) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.164 K(o=-0.16,f=-0.93) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -136:sc= -0.394 (180deg=-2.35!) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.42 K(o=-0.42,f=-3.8!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.0497 USER MOD Single : A 82 GLN : amide:sc= -0.656 X(o=-0.66,f=-0.24) USER MOD Single : A 85 ASN : amide:sc= -0.498 K(o=-0.5,f=-5.7!) USER MOD Single : A 88 HIS : no HE2:sc= -0.256 K(o=-0.26,f=-2.4) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.585 X(o=-0.59,f=-0.1) USER MOD Single : A 91 HIS : no HD1:sc= -0.34 X(o=-0.34,f=-0.5) USER MOD Single : A 92 HIS : no HD1:sc= -0.83 K(o=-0.83,f=-0.029) USER MOD Single : A 93 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 7.761 -20.716 3.547 1.00 0.00 N ATOM 2 CA GLN A 1 7.435 -19.266 3.636 1.00 0.00 C ATOM 3 C GLN A 1 6.099 -18.961 2.958 1.00 0.00 C ATOM 4 O GLN A 1 6.050 -18.691 1.757 1.00 0.00 O ATOM 5 CB GLN A 1 8.566 -18.468 2.975 1.00 0.00 C ATOM 6 CG GLN A 1 8.439 -16.961 3.146 1.00 0.00 C ATOM 7 CD GLN A 1 9.782 -16.257 3.091 1.00 0.00 C ATOM 8 OE1 GLN A 1 10.331 -16.034 2.015 1.00 0.00 O ATOM 9 NE2 GLN A 1 10.321 -15.905 4.254 1.00 0.00 N ATOM 0 H1 GLN A 1 8.672 -20.896 4.015 1.00 0.00 H new ATOM 0 H2 GLN A 1 7.016 -21.269 4.016 1.00 0.00 H new ATOM 0 H3 GLN A 1 7.823 -20.997 2.548 1.00 0.00 H new ATOM 0 HA GLN A 1 7.342 -18.981 4.684 1.00 0.00 H new ATOM 0 HB2 GLN A 1 9.519 -18.792 3.393 1.00 0.00 H new ATOM 0 HB3 GLN A 1 8.589 -18.702 1.911 1.00 0.00 H new ATOM 0 HG2 GLN A 1 7.791 -16.563 2.365 1.00 0.00 H new ATOM 0 HG3 GLN A 1 7.958 -16.746 4.100 1.00 0.00 H new ATOM 0 HE21 GLN A 1 9.832 -16.109 5.125 1.00 0.00 H new ATOM 0 HE22 GLN A 1 11.224 -15.431 4.275 1.00 0.00 H new ATOM 18 N SER A 2 5.020 -19.013 3.736 1.00 0.00 N ATOM 19 CA SER A 2 3.684 -18.745 3.213 1.00 0.00 C ATOM 20 C SER A 2 2.979 -17.668 4.034 1.00 0.00 C ATOM 21 O SER A 2 3.316 -17.449 5.200 1.00 0.00 O ATOM 22 CB SER A 2 2.854 -20.031 3.211 1.00 0.00 C ATOM 23 OG SER A 2 3.492 -21.050 2.458 1.00 0.00 O ATOM 0 H SER A 2 5.046 -19.238 4.730 1.00 0.00 H new ATOM 0 HA SER A 2 3.785 -18.381 2.191 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.703 -20.372 4.235 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.867 -19.830 2.794 1.00 0.00 H new ATOM 0 HG SER A 2 2.942 -21.861 2.474 1.00 0.00 H new ATOM 29 N ASP A 3 1.998 -17.001 3.415 1.00 0.00 N ATOM 30 CA ASP A 3 1.232 -15.940 4.074 1.00 0.00 C ATOM 31 C ASP A 3 2.093 -14.696 4.293 1.00 0.00 C ATOM 32 O ASP A 3 3.004 -14.696 5.124 1.00 0.00 O ATOM 33 CB ASP A 3 0.662 -16.437 5.410 1.00 0.00 C ATOM 34 CG ASP A 3 -0.648 -15.764 5.780 1.00 0.00 C ATOM 35 OD1 ASP A 3 -1.524 -15.637 4.896 1.00 0.00 O ATOM 36 OD2 ASP A 3 -0.800 -15.372 6.955 1.00 0.00 O ATOM 0 H ASP A 3 1.715 -17.180 2.451 1.00 0.00 H new ATOM 0 HA ASP A 3 0.403 -15.669 3.420 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.508 -17.515 5.355 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.392 -16.259 6.200 1.00 0.00 H new ATOM 41 N VAL A 4 1.802 -13.638 3.536 1.00 0.00 N ATOM 42 CA VAL A 4 2.549 -12.385 3.633 1.00 0.00 C ATOM 43 C VAL A 4 1.859 -11.400 4.575 1.00 0.00 C ATOM 44 O VAL A 4 0.741 -10.955 4.308 1.00 0.00 O ATOM 45 CB VAL A 4 2.720 -11.718 2.249 1.00 0.00 C ATOM 46 CG1 VAL A 4 3.678 -10.540 2.338 1.00 0.00 C ATOM 47 CG2 VAL A 4 3.205 -12.728 1.217 1.00 0.00 C ATOM 0 H VAL A 4 1.051 -13.625 2.846 1.00 0.00 H new ATOM 0 HA VAL A 4 3.532 -12.638 4.031 1.00 0.00 H new ATOM 0 HB VAL A 4 1.747 -11.346 1.928 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.786 -10.083 1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.285 -9.803 3.039 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.651 -10.888 2.685 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.318 -12.236 0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.166 -13.136 1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.479 -13.536 1.130 1.00 0.00 H new ATOM 57 N ARG A 5 2.532 -11.059 5.673 1.00 0.00 N ATOM 58 CA ARG A 5 1.987 -10.122 6.652 1.00 0.00 C ATOM 59 C ARG A 5 2.329 -8.681 6.271 1.00 0.00 C ATOM 60 O ARG A 5 3.499 -8.299 6.252 1.00 0.00 O ATOM 61 CB ARG A 5 2.529 -10.433 8.052 1.00 0.00 C ATOM 62 CG ARG A 5 1.461 -10.432 9.135 1.00 0.00 C ATOM 63 CD ARG A 5 1.720 -11.519 10.168 1.00 0.00 C ATOM 64 NE ARG A 5 0.918 -11.332 11.378 1.00 0.00 N ATOM 65 CZ ARG A 5 0.949 -12.150 12.432 1.00 0.00 C ATOM 66 NH1 ARG A 5 1.738 -13.222 12.434 1.00 0.00 N ATOM 67 NH2 ARG A 5 0.187 -11.896 13.489 1.00 0.00 N ATOM 0 H ARG A 5 3.457 -11.419 5.906 1.00 0.00 H new ATOM 0 HA ARG A 5 0.903 -10.234 6.659 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.016 -11.408 8.035 1.00 0.00 H new ATOM 0 HB3 ARG A 5 3.294 -9.699 8.307 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.439 -9.459 9.626 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.481 -10.583 8.682 1.00 0.00 H new ATOM 0 HD2 ARG A 5 1.496 -12.493 9.732 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.778 -11.523 10.432 1.00 0.00 H new ATOM 0 HE ARG A 5 0.296 -10.525 11.418 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.326 -13.424 11.625 1.00 0.00 H new ATOM 0 HH12 ARG A 5 1.755 -13.841 13.244 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -0.421 -11.077 13.495 1.00 0.00 H new ATOM 0 HH22 ARG A 5 0.209 -12.520 14.296 1.00 0.00 H new ATOM 81 N ILE A 6 1.301 -7.888 5.968 1.00 0.00 N ATOM 82 CA ILE A 6 1.496 -6.489 5.588 1.00 0.00 C ATOM 83 C ILE A 6 0.893 -5.550 6.633 1.00 0.00 C ATOM 84 O ILE A 6 -0.283 -5.672 6.985 1.00 0.00 O ATOM 85 CB ILE A 6 0.872 -6.179 4.206 1.00 0.00 C ATOM 86 CG1 ILE A 6 1.283 -7.243 3.182 1.00 0.00 C ATOM 87 CG2 ILE A 6 1.287 -4.791 3.730 1.00 0.00 C ATOM 88 CD1 ILE A 6 0.695 -7.021 1.804 1.00 0.00 C ATOM 0 H ILE A 6 0.327 -8.190 5.978 1.00 0.00 H new ATOM 0 HA ILE A 6 2.572 -6.325 5.530 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.213 -6.197 4.306 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.370 -7.260 3.105 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.974 -8.223 3.546 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.839 -4.591 2.757 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.947 -4.044 4.447 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.373 -4.745 3.646 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.030 -7.813 1.134 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.393 -7.034 1.866 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.025 -6.056 1.419 1.00 0.00 H new ATOM 100 N LYS A 7 1.708 -4.616 7.124 1.00 0.00 N ATOM 101 CA LYS A 7 1.262 -3.653 8.127 1.00 0.00 C ATOM 102 C LYS A 7 0.942 -2.305 7.483 1.00 0.00 C ATOM 103 O LYS A 7 1.826 -1.638 6.942 1.00 0.00 O ATOM 104 CB LYS A 7 2.333 -3.476 9.208 1.00 0.00 C ATOM 105 CG LYS A 7 2.085 -4.312 10.455 1.00 0.00 C ATOM 106 CD LYS A 7 3.387 -4.761 11.101 1.00 0.00 C ATOM 107 CE LYS A 7 3.869 -3.762 12.143 1.00 0.00 C ATOM 108 NZ LYS A 7 5.233 -4.093 12.646 1.00 0.00 N ATOM 0 H LYS A 7 2.682 -4.507 6.842 1.00 0.00 H new ATOM 0 HA LYS A 7 0.353 -4.040 8.587 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.305 -3.740 8.791 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.382 -2.424 9.490 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.504 -3.732 11.172 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.488 -5.186 10.194 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.245 -5.735 11.569 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.151 -4.884 10.333 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.875 -2.762 11.710 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.169 -3.744 12.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.523 -3.388 13.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.223 -5.037 13.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.907 -4.085 11.854 1.00 0.00 H new ATOM 122 N PHE A 8 -0.332 -1.913 7.545 1.00 0.00 N ATOM 123 CA PHE A 8 -0.778 -0.645 6.969 1.00 0.00 C ATOM 124 C PHE A 8 -0.956 0.416 8.052 1.00 0.00 C ATOM 125 O PHE A 8 -1.467 0.128 9.138 1.00 0.00 O ATOM 126 CB PHE A 8 -2.093 -0.841 6.208 1.00 0.00 C ATOM 127 CG PHE A 8 -1.915 -1.472 4.854 1.00 0.00 C ATOM 128 CD1 PHE A 8 -1.552 -0.705 3.758 1.00 0.00 C ATOM 129 CD2 PHE A 8 -2.112 -2.833 4.679 1.00 0.00 C ATOM 130 CE1 PHE A 8 -1.385 -1.283 2.515 1.00 0.00 C ATOM 131 CE2 PHE A 8 -1.948 -3.416 3.436 1.00 0.00 C ATOM 132 CZ PHE A 8 -1.584 -2.640 2.353 1.00 0.00 C ATOM 0 H PHE A 8 -1.073 -2.456 7.989 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.011 -0.302 6.275 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.760 -1.463 6.805 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.582 0.126 6.088 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.398 0.357 3.878 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.397 -3.444 5.523 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.099 -0.674 1.670 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.104 -4.477 3.312 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.455 -3.094 1.381 1.00 0.00 H new ATOM 142 N GLU A 9 -0.530 1.643 7.749 1.00 0.00 N ATOM 143 CA GLU A 9 -0.640 2.752 8.693 1.00 0.00 C ATOM 144 C GLU A 9 -1.444 3.902 8.093 1.00 0.00 C ATOM 145 O GLU A 9 -1.154 4.367 6.988 1.00 0.00 O ATOM 146 CB GLU A 9 0.752 3.241 9.104 1.00 0.00 C ATOM 147 CG GLU A 9 1.113 2.906 10.543 1.00 0.00 C ATOM 148 CD GLU A 9 1.983 3.969 11.189 1.00 0.00 C ATOM 149 OE1 GLU A 9 3.185 4.036 10.856 1.00 0.00 O ATOM 150 OE2 GLU A 9 1.461 4.732 12.030 1.00 0.00 O ATOM 0 H GLU A 9 -0.105 1.892 6.856 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.165 2.392 9.578 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.494 2.799 8.439 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.804 4.321 8.967 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.199 2.787 11.125 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.635 1.949 10.570 1.00 0.00 H new ATOM 157 N HIS A 10 -2.454 4.357 8.833 1.00 0.00 N ATOM 158 CA HIS A 10 -3.307 5.453 8.386 1.00 0.00 C ATOM 159 C HIS A 10 -3.692 6.347 9.562 1.00 0.00 C ATOM 160 O HIS A 10 -4.434 5.927 10.452 1.00 0.00 O ATOM 161 CB HIS A 10 -4.567 4.904 7.712 1.00 0.00 C ATOM 162 CG HIS A 10 -5.420 5.962 7.080 1.00 0.00 C ATOM 163 ND1 HIS A 10 -6.721 6.208 7.464 1.00 0.00 N ATOM 164 CD2 HIS A 10 -5.152 6.836 6.082 1.00 0.00 C ATOM 165 CE1 HIS A 10 -7.218 7.186 6.727 1.00 0.00 C ATOM 166 NE2 HIS A 10 -6.286 7.585 5.882 1.00 0.00 N ATOM 0 H HIS A 10 -2.701 3.981 9.748 1.00 0.00 H new ATOM 0 HA HIS A 10 -2.750 6.049 7.663 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.275 4.181 6.950 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.159 4.366 8.452 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -4.220 6.927 5.543 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -8.217 7.590 6.803 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -6.391 8.329 5.192 1.00 0.00 H new ATOM 175 N ASN A 11 -3.180 7.577 9.557 1.00 0.00 N ATOM 176 CA ASN A 11 -3.464 8.538 10.625 1.00 0.00 C ATOM 177 C ASN A 11 -3.013 7.999 11.987 1.00 0.00 C ATOM 178 O ASN A 11 -3.649 8.261 13.010 1.00 0.00 O ATOM 179 CB ASN A 11 -4.962 8.871 10.654 1.00 0.00 C ATOM 180 CG ASN A 11 -5.235 10.295 11.107 1.00 0.00 C ATOM 181 OD1 ASN A 11 -4.398 10.928 11.751 1.00 0.00 O ATOM 182 ND2 ASN A 11 -6.411 10.812 10.769 1.00 0.00 N ATOM 0 H ASN A 11 -2.566 7.933 8.825 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.902 9.449 10.420 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -5.383 8.723 9.659 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -5.472 8.177 11.322 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.647 11.766 11.044 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -7.078 10.255 10.235 1.00 0.00 H new ATOM 189 N GLY A 12 -1.916 7.236 11.990 1.00 0.00 N ATOM 190 CA GLY A 12 -1.404 6.666 13.228 1.00 0.00 C ATOM 191 C GLY A 12 -1.920 5.256 13.487 1.00 0.00 C ATOM 192 O GLY A 12 -1.224 4.442 14.098 1.00 0.00 O ATOM 0 H GLY A 12 -1.375 7.004 11.157 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.315 6.648 13.191 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.684 7.309 14.062 1.00 0.00 H new ATOM 196 N GLU A 13 -3.139 4.967 13.025 1.00 0.00 N ATOM 197 CA GLU A 13 -3.744 3.649 13.214 1.00 0.00 C ATOM 198 C GLU A 13 -2.969 2.573 12.456 1.00 0.00 C ATOM 199 O GLU A 13 -2.472 2.810 11.353 1.00 0.00 O ATOM 200 CB GLU A 13 -5.207 3.660 12.760 1.00 0.00 C ATOM 201 CG GLU A 13 -6.178 4.090 13.847 1.00 0.00 C ATOM 202 CD GLU A 13 -6.550 2.957 14.786 1.00 0.00 C ATOM 203 OE1 GLU A 13 -5.630 2.311 15.334 1.00 0.00 O ATOM 204 OE2 GLU A 13 -7.761 2.715 14.974 1.00 0.00 O ATOM 0 H GLU A 13 -3.726 5.629 12.517 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.705 3.414 14.278 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.309 4.331 11.907 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.479 2.662 12.415 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.735 4.902 14.423 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.083 4.484 13.384 1.00 0.00 H new ATOM 211 N ARG A 14 -2.868 1.387 13.062 1.00 0.00 N ATOM 212 CA ARG A 14 -2.151 0.266 12.455 1.00 0.00 C ATOM 213 C ARG A 14 -3.075 -0.932 12.234 1.00 0.00 C ATOM 214 O ARG A 14 -3.957 -1.206 13.050 1.00 0.00 O ATOM 215 CB ARG A 14 -0.965 -0.150 13.333 1.00 0.00 C ATOM 216 CG ARG A 14 -1.321 -0.330 14.802 1.00 0.00 C ATOM 217 CD ARG A 14 -0.615 -1.533 15.409 1.00 0.00 C ATOM 218 NE ARG A 14 -1.494 -2.699 15.498 1.00 0.00 N ATOM 219 CZ ARG A 14 -2.423 -2.865 16.444 1.00 0.00 C ATOM 220 NH1 ARG A 14 -2.616 -1.929 17.373 1.00 0.00 N ATOM 221 NH2 ARG A 14 -3.166 -3.966 16.457 1.00 0.00 N ATOM 0 H ARG A 14 -3.275 1.180 13.974 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.782 0.598 11.485 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.553 -1.084 12.952 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.181 0.602 13.248 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.049 0.569 15.355 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.399 -0.452 14.903 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.258 -1.783 14.806 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.252 -1.276 16.404 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.391 -3.430 14.795 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.053 -1.079 17.365 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.327 -2.063 18.092 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.027 -4.683 15.745 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.875 -4.094 17.179 1.00 0.00 H new ATOM 235 N ARG A 15 -2.859 -1.644 11.127 1.00 0.00 N ATOM 236 CA ARG A 15 -3.665 -2.819 10.799 1.00 0.00 C ATOM 237 C ARG A 15 -2.799 -3.925 10.198 1.00 0.00 C ATOM 238 O ARG A 15 -1.962 -3.667 9.329 1.00 0.00 O ATOM 239 CB ARG A 15 -4.785 -2.442 9.824 1.00 0.00 C ATOM 240 CG ARG A 15 -6.175 -2.804 10.325 1.00 0.00 C ATOM 241 CD ARG A 15 -7.055 -1.570 10.460 1.00 0.00 C ATOM 242 NE ARG A 15 -8.163 -1.783 11.393 1.00 0.00 N ATOM 243 CZ ARG A 15 -8.867 -0.798 11.957 1.00 0.00 C ATOM 244 NH1 ARG A 15 -8.594 0.476 11.680 1.00 0.00 N ATOM 245 NH2 ARG A 15 -9.853 -1.087 12.799 1.00 0.00 N ATOM 0 H ARG A 15 -2.133 -1.427 10.444 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.109 -3.192 11.722 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.744 -1.369 9.634 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.610 -2.942 8.871 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.639 -3.510 9.637 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.097 -3.304 11.290 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.450 -0.730 10.802 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.452 -1.300 9.482 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.413 -2.744 11.627 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.841 0.707 11.032 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.138 1.221 12.116 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.071 -2.060 13.014 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.392 -0.336 13.231 1.00 0.00 H new ATOM 259 N ILE A 16 -3.008 -5.156 10.667 1.00 0.00 N ATOM 260 CA ILE A 16 -2.251 -6.307 10.180 1.00 0.00 C ATOM 261 C ILE A 16 -3.112 -7.178 9.266 1.00 0.00 C ATOM 262 O ILE A 16 -4.133 -7.719 9.695 1.00 0.00 O ATOM 263 CB ILE A 16 -1.720 -7.175 11.343 1.00 0.00 C ATOM 264 CG1 ILE A 16 -1.009 -6.306 12.388 1.00 0.00 C ATOM 265 CG2 ILE A 16 -0.780 -8.252 10.819 1.00 0.00 C ATOM 266 CD1 ILE A 16 -0.839 -6.992 13.728 1.00 0.00 C ATOM 0 H ILE A 16 -3.697 -5.380 11.385 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.404 -5.912 9.620 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.570 -7.660 11.822 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.028 -6.022 12.007 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.575 -5.385 12.529 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.416 -8.854 11.652 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.315 -8.891 10.116 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.064 -7.783 10.313 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.329 -6.320 14.419 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.818 -7.251 14.131 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.247 -7.899 13.600 1.00 0.00 H new ATOM 278 N ILE A 17 -2.695 -7.307 8.008 1.00 0.00 N ATOM 279 CA ILE A 17 -3.429 -8.112 7.033 1.00 0.00 C ATOM 280 C ILE A 17 -2.507 -9.114 6.338 1.00 0.00 C ATOM 281 O ILE A 17 -1.439 -8.749 5.841 1.00 0.00 O ATOM 282 CB ILE A 17 -4.117 -7.229 5.969 1.00 0.00 C ATOM 283 CG1 ILE A 17 -4.929 -6.112 6.638 1.00 0.00 C ATOM 284 CG2 ILE A 17 -5.016 -8.072 5.071 1.00 0.00 C ATOM 285 CD1 ILE A 17 -5.167 -4.917 5.743 1.00 0.00 C ATOM 0 H ILE A 17 -1.853 -6.865 7.640 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.195 -8.654 7.587 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.343 -6.773 5.352 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.891 -6.514 6.956 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.407 -5.784 7.537 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.492 -7.432 4.328 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.418 -8.831 4.566 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.782 -8.557 5.676 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.747 -4.168 6.282 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.210 -4.489 5.445 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.716 -5.231 4.855 1.00 0.00 H new ATOM 297 N ALA A 18 -2.931 -10.378 6.309 1.00 0.00 N ATOM 298 CA ALA A 18 -2.152 -11.439 5.676 1.00 0.00 C ATOM 299 C ALA A 18 -2.613 -11.681 4.239 1.00 0.00 C ATOM 300 O ALA A 18 -3.792 -11.524 3.922 1.00 0.00 O ATOM 301 CB ALA A 18 -2.256 -12.723 6.489 1.00 0.00 C ATOM 0 H ALA A 18 -3.812 -10.691 6.718 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.110 -11.122 5.645 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.671 -13.507 6.008 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.872 -12.549 7.494 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.299 -13.033 6.548 1.00 0.00 H new ATOM 307 N PHE A 19 -1.670 -12.062 3.373 1.00 0.00 N ATOM 308 CA PHE A 19 -1.974 -12.323 1.967 1.00 0.00 C ATOM 309 C PHE A 19 -1.406 -13.669 1.517 1.00 0.00 C ATOM 310 O PHE A 19 -0.283 -14.029 1.869 1.00 0.00 O ATOM 311 CB PHE A 19 -1.405 -11.204 1.087 1.00 0.00 C ATOM 312 CG PHE A 19 -2.346 -10.048 0.897 1.00 0.00 C ATOM 313 CD1 PHE A 19 -3.477 -10.179 0.105 1.00 0.00 C ATOM 314 CD2 PHE A 19 -2.101 -8.830 1.511 1.00 0.00 C ATOM 315 CE1 PHE A 19 -4.344 -9.117 -0.070 1.00 0.00 C ATOM 316 CE2 PHE A 19 -2.964 -7.765 1.339 1.00 0.00 C ATOM 317 CZ PHE A 19 -4.087 -7.908 0.547 1.00 0.00 C ATOM 0 H PHE A 19 -0.690 -12.196 3.623 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.058 -12.355 1.861 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.480 -10.839 1.532 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.148 -11.616 0.111 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.683 -11.122 -0.380 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.225 -8.712 2.131 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.222 -9.232 -0.689 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.761 -6.821 1.823 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.762 -7.076 0.411 1.00 0.00 H new ATOM 327 N SER A 20 -2.191 -14.404 0.729 1.00 0.00 N ATOM 328 CA SER A 20 -1.773 -15.708 0.219 1.00 0.00 C ATOM 329 C SER A 20 -1.163 -15.579 -1.177 1.00 0.00 C ATOM 330 O SER A 20 -1.826 -15.127 -2.113 1.00 0.00 O ATOM 331 CB SER A 20 -2.966 -16.671 0.181 1.00 0.00 C ATOM 332 OG SER A 20 -4.131 -16.023 -0.303 1.00 0.00 O ATOM 0 H SER A 20 -3.123 -14.116 0.430 1.00 0.00 H new ATOM 0 HA SER A 20 -1.013 -16.106 0.892 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.729 -17.523 -0.456 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.153 -17.063 1.181 1.00 0.00 H new ATOM 0 HG SER A 20 -3.902 -15.479 -1.085 1.00 0.00 H new ATOM 338 N ARG A 21 0.103 -15.981 -1.311 1.00 0.00 N ATOM 339 CA ARG A 21 0.803 -15.911 -2.595 1.00 0.00 C ATOM 340 C ARG A 21 0.215 -16.913 -3.593 1.00 0.00 C ATOM 341 O ARG A 21 -0.294 -17.964 -3.195 1.00 0.00 O ATOM 342 CB ARG A 21 2.298 -16.190 -2.406 1.00 0.00 C ATOM 343 CG ARG A 21 3.006 -15.173 -1.523 1.00 0.00 C ATOM 344 CD ARG A 21 4.495 -15.466 -1.418 1.00 0.00 C ATOM 345 NE ARG A 21 5.034 -15.105 -0.106 1.00 0.00 N ATOM 346 CZ ARG A 21 6.328 -14.883 0.138 1.00 0.00 C ATOM 347 NH1 ARG A 21 7.232 -15.011 -0.830 1.00 0.00 N ATOM 348 NH2 ARG A 21 6.720 -14.538 1.360 1.00 0.00 N ATOM 0 H ARG A 21 0.664 -16.358 -0.547 1.00 0.00 H new ATOM 0 HA ARG A 21 0.674 -14.904 -2.992 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.421 -17.182 -1.972 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.781 -16.208 -3.383 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.859 -14.172 -1.929 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.561 -15.182 -0.528 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.670 -16.526 -1.602 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.028 -14.915 -2.193 1.00 0.00 H new ATOM 0 HE ARG A 21 4.380 -15.017 0.671 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.939 -15.281 -1.769 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.218 -14.839 -0.633 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.033 -14.444 2.108 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.708 -14.368 1.550 1.00 0.00 H new ATOM 362 N PRO A 22 0.272 -16.605 -4.906 1.00 0.00 N ATOM 363 CA PRO A 22 0.867 -15.367 -5.430 1.00 0.00 C ATOM 364 C PRO A 22 -0.001 -14.142 -5.155 1.00 0.00 C ATOM 365 O PRO A 22 -1.230 -14.221 -5.183 1.00 0.00 O ATOM 366 CB PRO A 22 0.966 -15.614 -6.946 1.00 0.00 C ATOM 367 CG PRO A 22 0.628 -17.055 -7.148 1.00 0.00 C ATOM 368 CD PRO A 22 -0.240 -17.448 -5.990 1.00 0.00 C ATOM 0 HA PRO A 22 1.826 -15.156 -4.957 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.277 -14.971 -7.493 1.00 0.00 H new ATOM 0 HB3 PRO A 22 1.968 -15.392 -7.313 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.106 -17.204 -8.093 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.530 -17.665 -7.183 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.294 -17.255 -6.190 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.148 -18.509 -5.756 1.00 0.00 H new ATOM 376 N VAL A 23 0.649 -13.010 -4.892 1.00 0.00 N ATOM 377 CA VAL A 23 -0.059 -11.765 -4.613 1.00 0.00 C ATOM 378 C VAL A 23 0.176 -10.738 -5.725 1.00 0.00 C ATOM 379 O VAL A 23 1.318 -10.398 -6.043 1.00 0.00 O ATOM 380 CB VAL A 23 0.359 -11.173 -3.246 1.00 0.00 C ATOM 381 CG1 VAL A 23 1.840 -10.821 -3.228 1.00 0.00 C ATOM 382 CG2 VAL A 23 -0.490 -9.956 -2.903 1.00 0.00 C ATOM 0 H VAL A 23 1.666 -12.931 -4.867 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.123 -11.999 -4.574 1.00 0.00 H new ATOM 0 HB VAL A 23 0.188 -11.935 -2.485 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.104 -10.407 -2.255 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.430 -11.719 -3.413 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.048 -10.084 -4.004 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.179 -9.556 -1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.360 -9.194 -3.671 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.539 -10.247 -2.854 1.00 0.00 H new ATOM 392 N LYS A 24 -0.917 -10.256 -6.316 1.00 0.00 N ATOM 393 CA LYS A 24 -0.843 -9.278 -7.397 1.00 0.00 C ATOM 394 C LYS A 24 -1.135 -7.871 -6.884 1.00 0.00 C ATOM 395 O LYS A 24 -2.054 -7.670 -6.091 1.00 0.00 O ATOM 396 CB LYS A 24 -1.838 -9.644 -8.503 1.00 0.00 C ATOM 397 CG LYS A 24 -1.175 -10.074 -9.801 1.00 0.00 C ATOM 398 CD LYS A 24 -0.330 -11.325 -9.613 1.00 0.00 C ATOM 399 CE LYS A 24 0.056 -11.942 -10.947 1.00 0.00 C ATOM 400 NZ LYS A 24 0.246 -13.418 -10.852 1.00 0.00 N ATOM 0 H LYS A 24 -1.866 -10.529 -6.062 1.00 0.00 H new ATOM 0 HA LYS A 24 0.170 -9.293 -7.800 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.481 -10.450 -8.149 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.481 -8.786 -8.700 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.939 -10.261 -10.556 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.549 -9.264 -10.175 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.571 -11.076 -9.052 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.883 -12.054 -9.021 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.717 -11.724 -11.683 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.977 -11.481 -11.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.508 -13.795 -11.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.002 -13.627 -10.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.639 -13.862 -10.535 1.00 0.00 H new ATOM 414 N TYR A 25 -0.347 -6.899 -7.350 1.00 0.00 N ATOM 415 CA TYR A 25 -0.521 -5.503 -6.945 1.00 0.00 C ATOM 416 C TYR A 25 -1.953 -5.030 -7.205 1.00 0.00 C ATOM 417 O TYR A 25 -2.534 -4.314 -6.388 1.00 0.00 O ATOM 418 CB TYR A 25 0.470 -4.599 -7.690 1.00 0.00 C ATOM 419 CG TYR A 25 0.394 -3.144 -7.275 1.00 0.00 C ATOM 420 CD1 TYR A 25 0.753 -2.751 -5.992 1.00 0.00 C ATOM 421 CD2 TYR A 25 -0.041 -2.169 -8.164 1.00 0.00 C ATOM 422 CE1 TYR A 25 0.678 -1.427 -5.606 1.00 0.00 C ATOM 423 CE2 TYR A 25 -0.118 -0.842 -7.786 1.00 0.00 C ATOM 424 CZ TYR A 25 0.243 -0.476 -6.505 1.00 0.00 C ATOM 425 OH TYR A 25 0.167 0.841 -6.120 1.00 0.00 O ATOM 0 H TYR A 25 0.417 -7.053 -8.008 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.325 -5.439 -5.875 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.482 -4.965 -7.518 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.282 -4.673 -8.761 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.096 -3.492 -5.285 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -0.324 -2.453 -9.167 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.959 -1.138 -4.604 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.459 -0.096 -8.489 1.00 0.00 H new ATOM 0 HH TYR A 25 0.785 1.376 -6.661 1.00 0.00 H new ATOM 435 N GLU A 26 -2.516 -5.437 -8.345 1.00 0.00 N ATOM 436 CA GLU A 26 -3.881 -5.054 -8.708 1.00 0.00 C ATOM 437 C GLU A 26 -4.891 -5.612 -7.705 1.00 0.00 C ATOM 438 O GLU A 26 -5.794 -4.902 -7.263 1.00 0.00 O ATOM 439 CB GLU A 26 -4.222 -5.556 -10.116 1.00 0.00 C ATOM 440 CG GLU A 26 -4.955 -4.531 -10.967 1.00 0.00 C ATOM 441 CD GLU A 26 -5.220 -5.016 -12.382 1.00 0.00 C ATOM 442 OE1 GLU A 26 -4.274 -5.515 -13.028 1.00 0.00 O ATOM 443 OE2 GLU A 26 -6.374 -4.892 -12.844 1.00 0.00 O ATOM 0 H GLU A 26 -2.049 -6.030 -9.031 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.938 -3.966 -8.692 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.301 -5.845 -10.623 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.835 -6.453 -10.034 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.903 -4.282 -10.490 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.368 -3.613 -11.007 1.00 0.00 H new ATOM 450 N ASP A 27 -4.729 -6.888 -7.349 1.00 0.00 N ATOM 451 CA ASP A 27 -5.627 -7.541 -6.398 1.00 0.00 C ATOM 452 C ASP A 27 -5.528 -6.898 -5.017 1.00 0.00 C ATOM 453 O ASP A 27 -6.546 -6.638 -4.373 1.00 0.00 O ATOM 454 CB ASP A 27 -5.318 -9.035 -6.300 1.00 0.00 C ATOM 455 CG ASP A 27 -6.544 -9.853 -5.944 1.00 0.00 C ATOM 456 OD1 ASP A 27 -6.896 -9.909 -4.747 1.00 0.00 O ATOM 457 OD2 ASP A 27 -7.158 -10.433 -6.865 1.00 0.00 O ATOM 0 H ASP A 27 -3.985 -7.488 -7.705 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.645 -7.415 -6.766 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.915 -9.384 -7.251 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.546 -9.196 -5.548 1.00 0.00 H new ATOM 462 N VAL A 28 -4.299 -6.635 -4.568 1.00 0.00 N ATOM 463 CA VAL A 28 -4.083 -6.014 -3.263 1.00 0.00 C ATOM 464 C VAL A 28 -4.704 -4.623 -3.220 1.00 0.00 C ATOM 465 O VAL A 28 -5.401 -4.276 -2.265 1.00 0.00 O ATOM 466 CB VAL A 28 -2.582 -5.904 -2.913 1.00 0.00 C ATOM 467 CG1 VAL A 28 -2.393 -5.403 -1.487 1.00 0.00 C ATOM 468 CG2 VAL A 28 -1.879 -7.239 -3.108 1.00 0.00 C ATOM 0 H VAL A 28 -3.445 -6.841 -5.086 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.563 -6.659 -2.527 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.132 -5.180 -3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.328 -5.334 -1.264 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.850 -4.419 -1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.865 -6.097 -0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.824 -7.135 -2.855 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.335 -7.988 -2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.974 -7.552 -4.148 1.00 0.00 H new ATOM 478 N GLU A 29 -4.450 -3.833 -4.264 1.00 0.00 N ATOM 479 CA GLU A 29 -4.987 -2.480 -4.347 1.00 0.00 C ATOM 480 C GLU A 29 -6.513 -2.490 -4.272 1.00 0.00 C ATOM 481 O GLU A 29 -7.103 -1.706 -3.534 1.00 0.00 O ATOM 482 CB GLU A 29 -4.526 -1.798 -5.640 1.00 0.00 C ATOM 483 CG GLU A 29 -4.366 -0.291 -5.510 1.00 0.00 C ATOM 484 CD GLU A 29 -5.003 0.466 -6.657 1.00 0.00 C ATOM 485 OE1 GLU A 29 -6.200 0.807 -6.552 1.00 0.00 O ATOM 486 OE2 GLU A 29 -4.304 0.719 -7.661 1.00 0.00 O ATOM 0 H GLU A 29 -3.876 -4.109 -5.061 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.607 -1.915 -3.496 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.575 -2.231 -5.950 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.246 -2.012 -6.430 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.812 0.038 -4.571 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.305 -0.045 -5.463 1.00 0.00 H new ATOM 493 N HIS A 30 -7.147 -3.387 -5.031 1.00 0.00 N ATOM 494 CA HIS A 30 -8.607 -3.491 -5.036 1.00 0.00 C ATOM 495 C HIS A 30 -9.150 -3.747 -3.627 1.00 0.00 C ATOM 496 O HIS A 30 -10.156 -3.159 -3.226 1.00 0.00 O ATOM 497 CB HIS A 30 -9.064 -4.602 -5.989 1.00 0.00 C ATOM 498 CG HIS A 30 -9.773 -4.094 -7.209 1.00 0.00 C ATOM 499 ND1 HIS A 30 -10.598 -4.884 -7.983 1.00 0.00 N ATOM 500 CD2 HIS A 30 -9.779 -2.869 -7.790 1.00 0.00 C ATOM 501 CE1 HIS A 30 -11.076 -4.169 -8.985 1.00 0.00 C ATOM 502 NE2 HIS A 30 -10.596 -2.944 -8.889 1.00 0.00 N ATOM 0 H HIS A 30 -6.674 -4.049 -5.647 1.00 0.00 H new ATOM 0 HA HIS A 30 -9.007 -2.539 -5.386 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.195 -5.183 -6.299 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.726 -5.281 -5.451 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -9.241 -1.996 -7.451 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -11.746 -4.526 -9.753 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -10.800 -2.176 -9.529 1.00 0.00 H new ATOM 511 N LYS A 31 -8.477 -4.626 -2.881 1.00 0.00 N ATOM 512 CA LYS A 31 -8.890 -4.958 -1.520 1.00 0.00 C ATOM 513 C LYS A 31 -8.629 -3.793 -0.561 1.00 0.00 C ATOM 514 O LYS A 31 -9.515 -3.400 0.197 1.00 0.00 O ATOM 515 CB LYS A 31 -8.158 -6.213 -1.028 1.00 0.00 C ATOM 516 CG LYS A 31 -8.904 -6.966 0.064 1.00 0.00 C ATOM 517 CD LYS A 31 -8.374 -8.383 0.226 1.00 0.00 C ATOM 518 CE LYS A 31 -9.022 -9.098 1.404 1.00 0.00 C ATOM 519 NZ LYS A 31 -10.495 -9.267 1.226 1.00 0.00 N ATOM 0 H LYS A 31 -7.643 -5.120 -3.199 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.962 -5.154 -1.537 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.995 -6.882 -1.873 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.175 -5.927 -0.654 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.807 -6.430 1.008 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.967 -6.999 -0.176 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.559 -8.947 -0.688 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.294 -8.353 0.369 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.559 -10.077 1.531 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.831 -8.534 2.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.880 -9.817 2.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.951 -8.333 1.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.682 -9.769 0.334 1.00 0.00 H new ATOM 533 N VAL A 32 -7.411 -3.253 -0.598 1.00 0.00 N ATOM 534 CA VAL A 32 -7.036 -2.138 0.276 1.00 0.00 C ATOM 535 C VAL A 32 -7.841 -0.877 -0.037 1.00 0.00 C ATOM 536 O VAL A 32 -8.274 -0.170 0.874 1.00 0.00 O ATOM 537 CB VAL A 32 -5.528 -1.812 0.176 1.00 0.00 C ATOM 538 CG1 VAL A 32 -5.141 -0.736 1.183 1.00 0.00 C ATOM 539 CG2 VAL A 32 -4.687 -3.065 0.383 1.00 0.00 C ATOM 0 H VAL A 32 -6.668 -3.568 -1.222 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.262 -2.461 1.292 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.331 -1.431 -0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.076 -0.522 1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.711 0.171 0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.359 -1.087 2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.630 -2.810 0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.891 -3.481 1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.938 -3.802 -0.380 1.00 0.00 H new ATOM 549 N THR A 33 -8.037 -0.600 -1.327 1.00 0.00 N ATOM 550 CA THR A 33 -8.792 0.575 -1.758 1.00 0.00 C ATOM 551 C THR A 33 -10.215 0.546 -1.196 1.00 0.00 C ATOM 552 O THR A 33 -10.745 1.578 -0.794 1.00 0.00 O ATOM 553 CB THR A 33 -8.818 0.668 -3.289 1.00 0.00 C ATOM 554 OG1 THR A 33 -7.515 0.893 -3.799 1.00 0.00 O ATOM 555 CG2 THR A 33 -9.707 1.774 -3.818 1.00 0.00 C ATOM 0 H THR A 33 -7.682 -1.175 -2.091 1.00 0.00 H new ATOM 0 HA THR A 33 -8.292 1.461 -1.367 1.00 0.00 H new ATOM 0 HB THR A 33 -9.221 -0.288 -3.622 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.991 0.067 -3.735 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.674 1.778 -4.907 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.732 1.607 -3.486 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.356 2.735 -3.441 1.00 0.00 H new ATOM 563 N THR A 34 -10.831 -0.637 -1.167 1.00 0.00 N ATOM 564 CA THR A 34 -12.191 -0.776 -0.640 1.00 0.00 C ATOM 565 C THR A 34 -12.214 -0.626 0.883 1.00 0.00 C ATOM 566 O THR A 34 -13.159 -0.064 1.439 1.00 0.00 O ATOM 567 CB THR A 34 -12.799 -2.126 -1.045 1.00 0.00 C ATOM 568 OG1 THR A 34 -12.635 -2.361 -2.433 1.00 0.00 O ATOM 569 CG2 THR A 34 -14.278 -2.234 -0.735 1.00 0.00 C ATOM 0 H THR A 34 -10.414 -1.507 -1.499 1.00 0.00 H new ATOM 0 HA THR A 34 -12.793 0.023 -1.072 1.00 0.00 H new ATOM 0 HB THR A 34 -12.262 -2.868 -0.455 1.00 0.00 H new ATOM 0 HG1 THR A 34 -11.762 -2.775 -2.594 1.00 0.00 H new ATOM 0 HG21 THR A 34 -14.644 -3.212 -1.046 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.435 -2.112 0.337 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.820 -1.456 -1.272 1.00 0.00 H new ATOM 577 N VAL A 35 -11.179 -1.137 1.554 1.00 0.00 N ATOM 578 CA VAL A 35 -11.099 -1.059 3.014 1.00 0.00 C ATOM 579 C VAL A 35 -11.071 0.391 3.498 1.00 0.00 C ATOM 580 O VAL A 35 -11.887 0.788 4.332 1.00 0.00 O ATOM 581 CB VAL A 35 -9.851 -1.788 3.569 1.00 0.00 C ATOM 582 CG1 VAL A 35 -9.855 -1.779 5.092 1.00 0.00 C ATOM 583 CG2 VAL A 35 -9.772 -3.215 3.045 1.00 0.00 C ATOM 0 H VAL A 35 -10.389 -1.607 1.112 1.00 0.00 H new ATOM 0 HA VAL A 35 -11.995 -1.553 3.389 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.968 -1.251 3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.970 -2.296 5.461 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -9.849 -0.749 5.450 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.749 -2.285 5.456 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.886 -3.703 3.451 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.662 -3.765 3.352 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.712 -3.200 1.957 1.00 0.00 H new ATOM 593 N PHE A 36 -10.118 1.172 2.989 1.00 0.00 N ATOM 594 CA PHE A 36 -9.976 2.573 3.394 1.00 0.00 C ATOM 595 C PHE A 36 -10.795 3.530 2.517 1.00 0.00 C ATOM 596 O PHE A 36 -11.064 4.661 2.925 1.00 0.00 O ATOM 597 CB PHE A 36 -8.501 2.983 3.365 1.00 0.00 C ATOM 598 CG PHE A 36 -7.613 2.127 4.228 1.00 0.00 C ATOM 599 CD1 PHE A 36 -7.668 2.218 5.609 1.00 0.00 C ATOM 600 CD2 PHE A 36 -6.723 1.231 3.655 1.00 0.00 C ATOM 601 CE1 PHE A 36 -6.852 1.434 6.404 1.00 0.00 C ATOM 602 CE2 PHE A 36 -5.906 0.445 4.444 1.00 0.00 C ATOM 603 CZ PHE A 36 -5.970 0.546 5.820 1.00 0.00 C ATOM 0 H PHE A 36 -9.435 0.861 2.298 1.00 0.00 H new ATOM 0 HA PHE A 36 -10.366 2.649 4.409 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.142 2.940 2.337 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -8.416 4.020 3.689 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.357 2.910 6.071 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.668 1.147 2.580 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.904 1.516 7.480 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.217 -0.249 3.985 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.332 -0.068 6.438 1.00 0.00 H new ATOM 613 N GLY A 37 -11.179 3.088 1.317 1.00 0.00 N ATOM 614 CA GLY A 37 -11.949 3.940 0.421 1.00 0.00 C ATOM 615 C GLY A 37 -11.108 4.481 -0.726 1.00 0.00 C ATOM 616 O GLY A 37 -9.915 4.198 -0.816 1.00 0.00 O ATOM 0 H GLY A 37 -10.971 2.159 0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.789 3.374 0.018 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.368 4.773 0.986 1.00 0.00 H new ATOM 620 N GLN A 38 -11.735 5.261 -1.609 1.00 0.00 N ATOM 621 CA GLN A 38 -11.034 5.838 -2.758 1.00 0.00 C ATOM 622 C GLN A 38 -11.484 7.277 -3.005 1.00 0.00 C ATOM 623 O GLN A 38 -12.599 7.655 -2.640 1.00 0.00 O ATOM 624 CB GLN A 38 -11.271 4.990 -4.017 1.00 0.00 C ATOM 625 CG GLN A 38 -12.732 4.637 -4.261 1.00 0.00 C ATOM 626 CD GLN A 38 -13.151 3.352 -3.568 1.00 0.00 C ATOM 627 OE1 GLN A 38 -13.655 3.378 -2.445 1.00 0.00 O ATOM 628 NE2 GLN A 38 -12.945 2.219 -4.233 1.00 0.00 N ATOM 0 H GLN A 38 -12.723 5.507 -1.551 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.968 5.843 -2.532 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.889 5.530 -4.883 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.694 4.069 -3.936 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -13.362 5.455 -3.911 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -12.903 4.539 -5.333 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -12.524 2.242 -5.162 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -13.208 1.327 -3.814 1.00 0.00 H new ATOM 637 N PRO A 39 -10.620 8.108 -3.628 1.00 0.00 N ATOM 638 CA PRO A 39 -9.284 7.701 -4.080 1.00 0.00 C ATOM 639 C PRO A 39 -8.216 7.815 -2.987 1.00 0.00 C ATOM 640 O PRO A 39 -8.294 8.684 -2.116 1.00 0.00 O ATOM 641 CB PRO A 39 -9.006 8.695 -5.203 1.00 0.00 C ATOM 642 CG PRO A 39 -9.709 9.946 -4.786 1.00 0.00 C ATOM 643 CD PRO A 39 -10.892 9.523 -3.947 1.00 0.00 C ATOM 0 HA PRO A 39 -9.252 6.653 -4.378 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.936 8.864 -5.326 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.383 8.329 -6.158 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.042 10.592 -4.216 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -10.036 10.514 -5.657 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -10.976 10.126 -3.043 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.829 9.636 -4.493 1.00 0.00 H new ATOM 651 N LEU A 40 -7.215 6.931 -3.048 1.00 0.00 N ATOM 652 CA LEU A 40 -6.122 6.924 -2.074 1.00 0.00 C ATOM 653 C LEU A 40 -4.775 6.678 -2.761 1.00 0.00 C ATOM 654 O LEU A 40 -4.723 6.131 -3.864 1.00 0.00 O ATOM 655 CB LEU A 40 -6.364 5.848 -1.011 1.00 0.00 C ATOM 656 CG LEU A 40 -7.284 6.261 0.139 1.00 0.00 C ATOM 657 CD1 LEU A 40 -7.645 5.053 0.987 1.00 0.00 C ATOM 658 CD2 LEU A 40 -6.626 7.336 0.995 1.00 0.00 C ATOM 0 H LEU A 40 -7.140 6.209 -3.765 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.093 7.903 -1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.789 4.970 -1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.402 5.548 -0.595 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.199 6.674 -0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.300 5.363 1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.157 4.315 0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.737 4.613 1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.297 7.616 1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.695 6.951 1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.415 8.212 0.381 1.00 0.00 H new ATOM 670 N ASP A 41 -3.685 7.077 -2.094 1.00 0.00 N ATOM 671 CA ASP A 41 -2.337 6.895 -2.636 1.00 0.00 C ATOM 672 C ASP A 41 -1.538 5.893 -1.796 1.00 0.00 C ATOM 673 O ASP A 41 -1.631 5.891 -0.566 1.00 0.00 O ATOM 674 CB ASP A 41 -1.593 8.236 -2.693 1.00 0.00 C ATOM 675 CG ASP A 41 -0.862 8.444 -4.009 1.00 0.00 C ATOM 676 OD1 ASP A 41 -0.293 7.464 -4.538 1.00 0.00 O ATOM 677 OD2 ASP A 41 -0.857 9.587 -4.509 1.00 0.00 O ATOM 0 H ASP A 41 -3.712 7.527 -1.179 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.435 6.500 -3.647 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.304 9.048 -2.545 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.877 8.285 -1.872 1.00 0.00 H new ATOM 682 N LEU A 42 -0.758 5.043 -2.470 1.00 0.00 N ATOM 683 CA LEU A 42 0.056 4.033 -1.790 1.00 0.00 C ATOM 684 C LEU A 42 1.526 4.455 -1.731 1.00 0.00 C ATOM 685 O LEU A 42 2.231 4.425 -2.742 1.00 0.00 O ATOM 686 CB LEU A 42 -0.065 2.680 -2.503 1.00 0.00 C ATOM 687 CG LEU A 42 -1.211 1.784 -2.021 1.00 0.00 C ATOM 688 CD1 LEU A 42 -1.385 0.596 -2.955 1.00 0.00 C ATOM 689 CD2 LEU A 42 -0.958 1.310 -0.596 1.00 0.00 C ATOM 0 H LEU A 42 -0.673 5.035 -3.486 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.317 3.937 -0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.192 2.861 -3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.873 2.139 -2.381 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.131 2.368 -2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.203 -0.030 -2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.613 0.953 -3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.464 0.013 -2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.783 0.675 -0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.028 0.743 -0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.882 2.172 0.066 1.00 0.00 H new ATOM 701 N HIS A 43 1.985 4.842 -0.537 1.00 0.00 N ATOM 702 CA HIS A 43 3.372 5.264 -0.341 1.00 0.00 C ATOM 703 C HIS A 43 4.187 4.173 0.354 1.00 0.00 C ATOM 704 O HIS A 43 3.821 3.707 1.434 1.00 0.00 O ATOM 705 CB HIS A 43 3.425 6.555 0.485 1.00 0.00 C ATOM 706 CG HIS A 43 4.800 7.137 0.612 1.00 0.00 C ATOM 707 ND1 HIS A 43 5.815 6.534 1.330 1.00 0.00 N ATOM 708 CD2 HIS A 43 5.330 8.279 0.107 1.00 0.00 C ATOM 709 CE1 HIS A 43 6.905 7.279 1.259 1.00 0.00 C ATOM 710 NE2 HIS A 43 6.636 8.340 0.523 1.00 0.00 N ATOM 0 H HIS A 43 1.414 4.871 0.308 1.00 0.00 H new ATOM 0 HA HIS A 43 3.807 5.447 -1.323 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.768 7.295 0.027 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.033 6.354 1.482 1.00 0.00 H new ATOM 0 HD2 HIS A 43 4.819 9.005 -0.508 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.854 7.057 1.724 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.294 9.087 0.299 1.00 0.00 H new ATOM 719 N TYR A 44 5.302 3.784 -0.263 1.00 0.00 N ATOM 720 CA TYR A 44 6.176 2.763 0.306 1.00 0.00 C ATOM 721 C TYR A 44 7.531 3.367 0.676 1.00 0.00 C ATOM 722 O TYR A 44 8.156 4.053 -0.135 1.00 0.00 O ATOM 723 CB TYR A 44 6.365 1.608 -0.686 1.00 0.00 C ATOM 724 CG TYR A 44 7.463 0.642 -0.288 1.00 0.00 C ATOM 725 CD1 TYR A 44 8.794 0.933 -0.554 1.00 0.00 C ATOM 726 CD2 TYR A 44 7.167 -0.553 0.357 1.00 0.00 C ATOM 727 CE1 TYR A 44 9.802 0.063 -0.189 1.00 0.00 C ATOM 728 CE2 TYR A 44 8.170 -1.429 0.725 1.00 0.00 C ATOM 729 CZ TYR A 44 9.485 -1.118 0.451 1.00 0.00 C ATOM 730 OH TYR A 44 10.486 -1.989 0.817 1.00 0.00 O ATOM 0 H TYR A 44 5.620 4.161 -1.156 1.00 0.00 H new ATOM 0 HA TYR A 44 5.709 2.374 1.211 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.427 1.061 -0.778 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.592 2.018 -1.670 1.00 0.00 H new ATOM 0 HD1 TYR A 44 9.045 1.856 -1.055 1.00 0.00 H new ATOM 0 HD2 TYR A 44 6.138 -0.800 0.574 1.00 0.00 H new ATOM 0 HE1 TYR A 44 10.833 0.305 -0.403 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.925 -2.354 1.226 1.00 0.00 H new ATOM 0 HH TYR A 44 10.094 -2.771 1.258 1.00 0.00 H new ATOM 740 N MET A 45 7.977 3.104 1.903 1.00 0.00 N ATOM 741 CA MET A 45 9.260 3.616 2.383 1.00 0.00 C ATOM 742 C MET A 45 10.112 2.489 2.965 1.00 0.00 C ATOM 743 O MET A 45 9.697 1.802 3.899 1.00 0.00 O ATOM 744 CB MET A 45 9.043 4.713 3.434 1.00 0.00 C ATOM 745 CG MET A 45 8.045 4.342 4.520 1.00 0.00 C ATOM 746 SD MET A 45 8.203 5.375 5.991 1.00 0.00 S ATOM 747 CE MET A 45 7.450 6.897 5.419 1.00 0.00 C ATOM 0 H MET A 45 7.469 2.539 2.583 1.00 0.00 H new ATOM 0 HA MET A 45 9.791 4.045 1.534 1.00 0.00 H new ATOM 0 HB2 MET A 45 10.000 4.950 3.900 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.700 5.618 2.933 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.033 4.432 4.124 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.187 3.297 4.797 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.472 7.637 6.219 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.003 7.276 4.559 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.417 6.706 5.130 1.00 0.00 H new ATOM 757 N ASN A 46 11.310 2.309 2.407 1.00 0.00 N ATOM 758 CA ASN A 46 12.223 1.267 2.869 1.00 0.00 C ATOM 759 C ASN A 46 12.954 1.719 4.132 1.00 0.00 C ATOM 760 O ASN A 46 12.843 1.089 5.185 1.00 0.00 O ATOM 761 CB ASN A 46 13.229 0.921 1.765 1.00 0.00 C ATOM 762 CG ASN A 46 14.076 -0.296 2.099 1.00 0.00 C ATOM 763 OD1 ASN A 46 13.649 -1.180 2.842 1.00 0.00 O ATOM 764 ND2 ASN A 46 15.286 -0.349 1.548 1.00 0.00 N ATOM 0 H ASN A 46 11.669 2.871 1.635 1.00 0.00 H new ATOM 0 HA ASN A 46 11.643 0.375 3.108 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.692 0.739 0.834 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.882 1.777 1.594 1.00 0.00 H new ATOM 0 HD21 ASN A 46 15.898 -1.143 1.736 1.00 0.00 H new ATOM 0 HD22 ASN A 46 15.602 0.405 0.938 1.00 0.00 H new ATOM 771 N ASN A 47 13.693 2.823 4.016 1.00 0.00 N ATOM 772 CA ASN A 47 14.440 3.384 5.139 1.00 0.00 C ATOM 773 C ASN A 47 15.088 4.707 4.741 1.00 0.00 C ATOM 774 O ASN A 47 14.869 5.733 5.384 1.00 0.00 O ATOM 775 CB ASN A 47 15.512 2.403 5.632 1.00 0.00 C ATOM 776 CG ASN A 47 15.553 2.310 7.146 1.00 0.00 C ATOM 777 OD1 ASN A 47 15.377 1.233 7.718 1.00 0.00 O ATOM 778 ND2 ASN A 47 15.783 3.440 7.807 1.00 0.00 N ATOM 0 H ASN A 47 13.790 3.349 3.147 1.00 0.00 H new ATOM 0 HA ASN A 47 13.737 3.564 5.953 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.317 1.415 5.214 1.00 0.00 H new ATOM 0 HB3 ASN A 47 16.488 2.718 5.263 1.00 0.00 H new ATOM 0 HD21 ASN A 47 15.819 3.436 8.826 1.00 0.00 H new ATOM 0 HD22 ASN A 47 15.924 4.311 7.295 1.00 0.00 H new ATOM 785 N GLU A 48 15.884 4.669 3.675 1.00 0.00 N ATOM 786 CA GLU A 48 16.570 5.861 3.179 1.00 0.00 C ATOM 787 C GLU A 48 15.938 6.375 1.880 1.00 0.00 C ATOM 788 O GLU A 48 16.030 7.564 1.575 1.00 0.00 O ATOM 789 CB GLU A 48 18.053 5.562 2.952 1.00 0.00 C ATOM 790 CG GLU A 48 18.794 5.134 4.212 1.00 0.00 C ATOM 791 CD GLU A 48 20.114 5.859 4.394 1.00 0.00 C ATOM 792 OE1 GLU A 48 20.930 5.856 3.448 1.00 0.00 O ATOM 793 OE2 GLU A 48 20.331 6.431 5.483 1.00 0.00 O ATOM 0 H GLU A 48 16.071 3.823 3.136 1.00 0.00 H new ATOM 0 HA GLU A 48 16.469 6.639 3.935 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.145 4.776 2.203 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.535 6.450 2.543 1.00 0.00 H new ATOM 0 HG2 GLU A 48 18.161 5.318 5.080 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.977 4.060 4.173 1.00 0.00 H new ATOM 800 N LEU A 49 15.302 5.479 1.116 1.00 0.00 N ATOM 801 CA LEU A 49 14.671 5.861 -0.146 1.00 0.00 C ATOM 802 C LEU A 49 13.189 5.494 -0.157 1.00 0.00 C ATOM 803 O LEU A 49 12.787 4.476 0.415 1.00 0.00 O ATOM 804 CB LEU A 49 15.378 5.180 -1.324 1.00 0.00 C ATOM 805 CG LEU A 49 16.493 6.002 -1.980 1.00 0.00 C ATOM 806 CD1 LEU A 49 17.584 5.084 -2.514 1.00 0.00 C ATOM 807 CD2 LEU A 49 15.933 6.870 -3.100 1.00 0.00 C ATOM 0 H LEU A 49 15.213 4.490 1.351 1.00 0.00 H new ATOM 0 HA LEU A 49 14.760 6.943 -0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 49 15.800 4.237 -0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.634 4.937 -2.082 1.00 0.00 H new ATOM 0 HG LEU A 49 16.928 6.656 -1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 49 18.369 5.682 -2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 49 18.006 4.505 -1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 49 17.159 4.407 -3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 49 16.740 7.446 -3.553 1.00 0.00 H new ATOM 0 HD22 LEU A 49 15.472 6.235 -3.856 1.00 0.00 H new ATOM 0 HD23 LEU A 49 15.186 7.551 -2.693 1.00 0.00 H new ATOM 819 N SER A 50 12.383 6.328 -0.816 1.00 0.00 N ATOM 820 CA SER A 50 10.946 6.094 -0.913 1.00 0.00 C ATOM 821 C SER A 50 10.513 5.974 -2.373 1.00 0.00 C ATOM 822 O SER A 50 10.895 6.795 -3.211 1.00 0.00 O ATOM 823 CB SER A 50 10.171 7.222 -0.222 1.00 0.00 C ATOM 824 OG SER A 50 10.206 8.418 -0.987 1.00 0.00 O ATOM 0 H SER A 50 12.704 7.172 -1.290 1.00 0.00 H new ATOM 0 HA SER A 50 10.721 5.154 -0.409 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.136 6.915 -0.071 1.00 0.00 H new ATOM 0 HB3 SER A 50 10.596 7.407 0.765 1.00 0.00 H new ATOM 0 HG SER A 50 9.702 9.118 -0.522 1.00 0.00 H new ATOM 830 N ILE A 51 9.718 4.949 -2.671 1.00 0.00 N ATOM 831 CA ILE A 51 9.235 4.721 -4.029 1.00 0.00 C ATOM 832 C ILE A 51 7.713 4.588 -4.053 1.00 0.00 C ATOM 833 O ILE A 51 7.132 3.855 -3.249 1.00 0.00 O ATOM 834 CB ILE A 51 9.862 3.453 -4.654 1.00 0.00 C ATOM 835 CG1 ILE A 51 11.383 3.454 -4.469 1.00 0.00 C ATOM 836 CG2 ILE A 51 9.501 3.350 -6.129 1.00 0.00 C ATOM 837 CD1 ILE A 51 11.847 2.677 -3.257 1.00 0.00 C ATOM 0 H ILE A 51 9.395 4.263 -1.989 1.00 0.00 H new ATOM 0 HA ILE A 51 9.535 5.587 -4.619 1.00 0.00 H new ATOM 0 HB ILE A 51 9.457 2.581 -4.140 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.849 3.033 -5.360 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.729 4.484 -4.384 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.951 2.452 -6.552 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.417 3.298 -6.236 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.876 4.227 -6.657 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.934 2.722 -3.190 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.410 3.111 -2.358 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.532 1.638 -3.349 1.00 0.00 H new ATOM 849 N LEU A 52 7.076 5.298 -4.982 1.00 0.00 N ATOM 850 CA LEU A 52 5.622 5.259 -5.118 1.00 0.00 C ATOM 851 C LEU A 52 5.203 4.080 -5.990 1.00 0.00 C ATOM 852 O LEU A 52 5.583 3.999 -7.160 1.00 0.00 O ATOM 853 CB LEU A 52 5.100 6.569 -5.721 1.00 0.00 C ATOM 854 CG LEU A 52 4.038 7.301 -4.893 1.00 0.00 C ATOM 855 CD1 LEU A 52 2.753 6.491 -4.829 1.00 0.00 C ATOM 856 CD2 LEU A 52 4.558 7.595 -3.491 1.00 0.00 C ATOM 0 H LEU A 52 7.545 5.908 -5.652 1.00 0.00 H new ATOM 0 HA LEU A 52 5.189 5.136 -4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.945 7.241 -5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.684 6.355 -6.705 1.00 0.00 H new ATOM 0 HG LEU A 52 3.819 8.250 -5.383 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.013 7.029 -4.237 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.369 6.338 -5.837 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.955 5.525 -4.367 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.789 8.115 -2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.810 6.659 -2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.447 8.222 -3.557 1.00 0.00 H new ATOM 868 N LEU A 53 4.423 3.168 -5.414 1.00 0.00 N ATOM 869 CA LEU A 53 3.954 1.989 -6.141 1.00 0.00 C ATOM 870 C LEU A 53 3.010 2.386 -7.274 1.00 0.00 C ATOM 871 O LEU A 53 1.859 2.754 -7.033 1.00 0.00 O ATOM 872 CB LEU A 53 3.252 1.010 -5.192 1.00 0.00 C ATOM 873 CG LEU A 53 4.053 0.610 -3.948 1.00 0.00 C ATOM 874 CD1 LEU A 53 3.164 -0.112 -2.946 1.00 0.00 C ATOM 875 CD2 LEU A 53 5.240 -0.260 -4.336 1.00 0.00 C ATOM 0 H LEU A 53 4.102 3.222 -4.447 1.00 0.00 H new ATOM 0 HA LEU A 53 4.825 1.496 -6.572 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.311 1.455 -4.869 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.003 0.107 -5.749 1.00 0.00 H new ATOM 0 HG LEU A 53 4.431 1.517 -3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.752 -0.387 -2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.348 0.545 -2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.754 -1.012 -3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.798 -0.535 -3.441 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.883 -1.162 -4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.891 0.293 -5.013 1.00 0.00 H new ATOM 887 N LYS A 54 3.506 2.313 -8.508 1.00 0.00 N ATOM 888 CA LYS A 54 2.708 2.664 -9.679 1.00 0.00 C ATOM 889 C LYS A 54 2.382 1.427 -10.518 1.00 0.00 C ATOM 890 O LYS A 54 1.294 1.327 -11.091 1.00 0.00 O ATOM 891 CB LYS A 54 3.439 3.705 -10.533 1.00 0.00 C ATOM 892 CG LYS A 54 2.932 5.125 -10.330 1.00 0.00 C ATOM 893 CD LYS A 54 3.950 6.156 -10.795 1.00 0.00 C ATOM 894 CE LYS A 54 3.813 7.466 -10.031 1.00 0.00 C ATOM 895 NZ LYS A 54 4.794 7.571 -8.912 1.00 0.00 N ATOM 0 H LYS A 54 4.457 2.014 -8.722 1.00 0.00 H new ATOM 0 HA LYS A 54 1.769 3.092 -9.327 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.503 3.671 -10.300 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.335 3.438 -11.585 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.000 5.261 -10.878 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.708 5.284 -9.275 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.957 5.760 -10.661 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.820 6.341 -11.861 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.956 8.301 -10.717 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.801 7.549 -9.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.316 7.938 -8.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.189 6.631 -8.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.562 8.217 -9.183 1.00 0.00 H new ATOM 909 N ASN A 55 3.327 0.488 -10.588 1.00 0.00 N ATOM 910 CA ASN A 55 3.138 -0.742 -11.355 1.00 0.00 C ATOM 911 C ASN A 55 3.636 -1.958 -10.576 1.00 0.00 C ATOM 912 O ASN A 55 4.259 -1.818 -9.520 1.00 0.00 O ATOM 913 CB ASN A 55 3.869 -0.643 -12.700 1.00 0.00 C ATOM 914 CG ASN A 55 2.989 -1.037 -13.872 1.00 0.00 C ATOM 915 OD1 ASN A 55 2.135 -0.267 -14.308 1.00 0.00 O ATOM 916 ND2 ASN A 55 3.191 -2.245 -14.390 1.00 0.00 N ATOM 0 H ASN A 55 4.232 0.557 -10.122 1.00 0.00 H new ATOM 0 HA ASN A 55 2.071 -0.868 -11.536 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.223 0.378 -12.843 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.749 -1.285 -12.679 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.627 -2.563 -15.178 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.910 -2.854 -13.999 1.00 0.00 H new ATOM 923 N GLN A 56 3.362 -3.154 -11.107 1.00 0.00 N ATOM 924 CA GLN A 56 3.786 -4.401 -10.469 1.00 0.00 C ATOM 925 C GLN A 56 5.307 -4.441 -10.292 1.00 0.00 C ATOM 926 O GLN A 56 5.810 -5.062 -9.355 1.00 0.00 O ATOM 927 CB GLN A 56 3.320 -5.608 -11.291 1.00 0.00 C ATOM 928 CG GLN A 56 3.668 -6.954 -10.666 1.00 0.00 C ATOM 929 CD GLN A 56 2.457 -7.687 -10.114 1.00 0.00 C ATOM 930 OE1 GLN A 56 1.320 -7.422 -10.507 1.00 0.00 O ATOM 931 NE2 GLN A 56 2.695 -8.620 -9.200 1.00 0.00 N ATOM 0 H GLN A 56 2.848 -3.283 -11.978 1.00 0.00 H new ATOM 0 HA GLN A 56 3.326 -4.445 -9.482 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.240 -5.549 -11.424 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.767 -5.553 -12.284 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.154 -7.580 -11.414 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.389 -6.799 -9.863 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.652 -8.809 -8.901 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.921 -9.148 -8.796 1.00 0.00 H new ATOM 940 N ASP A 57 6.032 -3.775 -11.199 1.00 0.00 N ATOM 941 CA ASP A 57 7.493 -3.737 -11.140 1.00 0.00 C ATOM 942 C ASP A 57 7.976 -3.199 -9.793 1.00 0.00 C ATOM 943 O ASP A 57 8.904 -3.744 -9.195 1.00 0.00 O ATOM 944 CB ASP A 57 8.054 -2.880 -12.279 1.00 0.00 C ATOM 945 CG ASP A 57 8.394 -3.707 -13.504 1.00 0.00 C ATOM 946 OD1 ASP A 57 9.428 -4.409 -13.479 1.00 0.00 O ATOM 947 OD2 ASP A 57 7.627 -3.655 -14.487 1.00 0.00 O ATOM 0 H ASP A 57 5.629 -3.257 -11.980 1.00 0.00 H new ATOM 0 HA ASP A 57 7.858 -4.758 -11.252 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.325 -2.116 -12.549 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.948 -2.360 -11.934 1.00 0.00 H new ATOM 952 N ASP A 58 7.336 -2.134 -9.315 1.00 0.00 N ATOM 953 CA ASP A 58 7.699 -1.539 -8.029 1.00 0.00 C ATOM 954 C ASP A 58 7.376 -2.494 -6.878 1.00 0.00 C ATOM 955 O ASP A 58 8.067 -2.506 -5.857 1.00 0.00 O ATOM 956 CB ASP A 58 6.961 -0.213 -7.814 1.00 0.00 C ATOM 957 CG ASP A 58 7.368 0.867 -8.801 1.00 0.00 C ATOM 958 OD1 ASP A 58 8.582 1.135 -8.928 1.00 0.00 O ATOM 959 OD2 ASP A 58 6.466 1.453 -9.439 1.00 0.00 O ATOM 0 H ASP A 58 6.567 -1.667 -9.795 1.00 0.00 H new ATOM 0 HA ASP A 58 8.772 -1.350 -8.044 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.888 -0.385 -7.896 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.151 0.140 -6.800 1.00 0.00 H new ATOM 964 N LEU A 59 6.317 -3.289 -7.051 1.00 0.00 N ATOM 965 CA LEU A 59 5.891 -4.248 -6.033 1.00 0.00 C ATOM 966 C LEU A 59 6.940 -5.340 -5.809 1.00 0.00 C ATOM 967 O LEU A 59 7.258 -5.671 -4.667 1.00 0.00 O ATOM 968 CB LEU A 59 4.554 -4.880 -6.430 1.00 0.00 C ATOM 969 CG LEU A 59 3.944 -5.812 -5.382 1.00 0.00 C ATOM 970 CD1 LEU A 59 3.464 -5.014 -4.179 1.00 0.00 C ATOM 971 CD2 LEU A 59 2.804 -6.622 -5.986 1.00 0.00 C ATOM 0 H LEU A 59 5.738 -3.286 -7.891 1.00 0.00 H new ATOM 0 HA LEU A 59 5.771 -3.704 -5.096 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.842 -4.083 -6.644 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.694 -5.440 -7.355 1.00 0.00 H new ATOM 0 HG LEU A 59 4.713 -6.508 -5.046 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.032 -5.691 -3.442 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.306 -4.483 -3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.709 -4.295 -4.497 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.382 -7.279 -5.226 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.031 -5.946 -6.351 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.182 -7.221 -6.814 1.00 0.00 H new ATOM 983 N ASP A 60 7.480 -5.895 -6.901 1.00 0.00 N ATOM 984 CA ASP A 60 8.498 -6.946 -6.801 1.00 0.00 C ATOM 985 C ASP A 60 9.821 -6.379 -6.288 1.00 0.00 C ATOM 986 O ASP A 60 10.570 -7.067 -5.591 1.00 0.00 O ATOM 987 CB ASP A 60 8.697 -7.654 -8.150 1.00 0.00 C ATOM 988 CG ASP A 60 9.355 -6.787 -9.204 1.00 0.00 C ATOM 989 OD1 ASP A 60 10.572 -6.528 -9.095 1.00 0.00 O ATOM 990 OD2 ASP A 60 8.655 -6.387 -10.153 1.00 0.00 O ATOM 0 H ASP A 60 7.231 -5.636 -7.856 1.00 0.00 H new ATOM 0 HA ASP A 60 8.143 -7.684 -6.082 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.304 -8.546 -7.996 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.728 -7.988 -8.521 1.00 0.00 H new ATOM 995 N LYS A 61 10.095 -5.118 -6.626 1.00 0.00 N ATOM 996 CA LYS A 61 11.321 -4.456 -6.187 1.00 0.00 C ATOM 997 C LYS A 61 11.359 -4.344 -4.663 1.00 0.00 C ATOM 998 O LYS A 61 12.414 -4.504 -4.047 1.00 0.00 O ATOM 999 CB LYS A 61 11.441 -3.057 -6.811 1.00 0.00 C ATOM 1000 CG LYS A 61 12.580 -2.936 -7.811 1.00 0.00 C ATOM 1001 CD LYS A 61 13.325 -1.615 -7.665 1.00 0.00 C ATOM 1002 CE LYS A 61 14.231 -1.611 -6.439 1.00 0.00 C ATOM 1003 NZ LYS A 61 14.653 -0.232 -6.056 1.00 0.00 N ATOM 0 H LYS A 61 9.485 -4.537 -7.201 1.00 0.00 H new ATOM 0 HA LYS A 61 12.163 -5.063 -6.519 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.503 -2.808 -7.308 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.586 -2.325 -6.017 1.00 0.00 H new ATOM 0 HG2 LYS A 61 13.276 -3.763 -7.671 1.00 0.00 H new ATOM 0 HG3 LYS A 61 12.185 -3.020 -8.823 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.922 -1.433 -8.559 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.607 -0.799 -7.589 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.709 -2.075 -5.602 1.00 0.00 H new ATOM 0 HE3 LYS A 61 15.114 -2.217 -6.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 15.267 -0.277 -5.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.174 0.203 -6.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 13.812 0.340 -5.838 1.00 0.00 H new ATOM 1017 N ALA A 62 10.199 -4.078 -4.060 1.00 0.00 N ATOM 1018 CA ALA A 62 10.096 -3.953 -2.606 1.00 0.00 C ATOM 1019 C ALA A 62 10.370 -5.288 -1.916 1.00 0.00 C ATOM 1020 O ALA A 62 11.070 -5.339 -0.904 1.00 0.00 O ATOM 1021 CB ALA A 62 8.721 -3.429 -2.215 1.00 0.00 C ATOM 0 H ALA A 62 9.318 -3.945 -4.556 1.00 0.00 H new ATOM 0 HA ALA A 62 10.852 -3.241 -2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.660 -3.342 -1.130 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.562 -2.450 -2.668 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.955 -4.120 -2.567 1.00 0.00 H new ATOM 1027 N ILE A 63 9.810 -6.366 -2.468 1.00 0.00 N ATOM 1028 CA ILE A 63 9.997 -7.702 -1.903 1.00 0.00 C ATOM 1029 C ILE A 63 11.451 -8.152 -2.022 1.00 0.00 C ATOM 1030 O ILE A 63 12.001 -8.733 -1.087 1.00 0.00 O ATOM 1031 CB ILE A 63 9.085 -8.751 -2.584 1.00 0.00 C ATOM 1032 CG1 ILE A 63 7.632 -8.262 -2.620 1.00 0.00 C ATOM 1033 CG2 ILE A 63 9.182 -10.088 -1.858 1.00 0.00 C ATOM 1034 CD1 ILE A 63 7.066 -7.916 -1.256 1.00 0.00 C ATOM 0 H ILE A 63 9.225 -6.340 -3.303 1.00 0.00 H new ATOM 0 HA ILE A 63 9.723 -7.633 -0.850 1.00 0.00 H new ATOM 0 HB ILE A 63 9.424 -8.889 -3.611 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.571 -7.383 -3.262 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.011 -9.033 -3.075 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.535 -10.816 -2.348 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.212 -10.442 -1.884 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.868 -9.963 -0.822 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.035 -7.578 -1.365 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.093 -8.798 -0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.662 -7.122 -0.805 1.00 0.00 H new ATOM 1046 N ASP A 64 12.069 -7.879 -3.172 1.00 0.00 N ATOM 1047 CA ASP A 64 13.462 -8.258 -3.405 1.00 0.00 C ATOM 1048 C ASP A 64 14.376 -7.700 -2.315 1.00 0.00 C ATOM 1049 O ASP A 64 15.229 -8.413 -1.787 1.00 0.00 O ATOM 1050 CB ASP A 64 13.934 -7.766 -4.775 1.00 0.00 C ATOM 1051 CG ASP A 64 14.917 -8.722 -5.429 1.00 0.00 C ATOM 1052 OD1 ASP A 64 15.969 -9.007 -4.817 1.00 0.00 O ATOM 1053 OD2 ASP A 64 14.631 -9.186 -6.553 1.00 0.00 O ATOM 0 H ASP A 64 11.627 -7.398 -3.955 1.00 0.00 H new ATOM 0 HA ASP A 64 13.515 -9.346 -3.379 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.071 -7.635 -5.428 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.402 -6.788 -4.665 1.00 0.00 H new ATOM 1058 N ILE A 65 14.185 -6.424 -1.976 1.00 0.00 N ATOM 1059 CA ILE A 65 14.992 -5.777 -0.942 1.00 0.00 C ATOM 1060 C ILE A 65 14.712 -6.392 0.430 1.00 0.00 C ATOM 1061 O ILE A 65 15.630 -6.588 1.229 1.00 0.00 O ATOM 1062 CB ILE A 65 14.735 -4.253 -0.885 1.00 0.00 C ATOM 1063 CG1 ILE A 65 14.903 -3.622 -2.273 1.00 0.00 C ATOM 1064 CG2 ILE A 65 15.674 -3.593 0.117 1.00 0.00 C ATOM 1065 CD1 ILE A 65 14.058 -2.383 -2.481 1.00 0.00 C ATOM 0 H ILE A 65 13.481 -5.821 -2.401 1.00 0.00 H new ATOM 0 HA ILE A 65 16.037 -5.940 -1.205 1.00 0.00 H new ATOM 0 HB ILE A 65 13.708 -4.091 -0.558 1.00 0.00 H new ATOM 0 HG12 ILE A 65 15.952 -3.366 -2.422 1.00 0.00 H new ATOM 0 HG13 ILE A 65 14.644 -4.360 -3.032 1.00 0.00 H new ATOM 0 HG21 ILE A 65 15.480 -2.521 0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 65 15.507 -4.018 1.107 1.00 0.00 H new ATOM 0 HG23 ILE A 65 16.707 -3.767 -0.183 1.00 0.00 H new ATOM 0 HD11 ILE A 65 14.228 -1.991 -3.484 1.00 0.00 H new ATOM 0 HD12 ILE A 65 13.005 -2.637 -2.364 1.00 0.00 H new ATOM 0 HD13 ILE A 65 14.332 -1.628 -1.745 1.00 0.00 H new ATOM 1077 N LEU A 66 13.441 -6.703 0.688 1.00 0.00 N ATOM 1078 CA LEU A 66 13.034 -7.305 1.956 1.00 0.00 C ATOM 1079 C LEU A 66 13.652 -8.695 2.123 1.00 0.00 C ATOM 1080 O LEU A 66 14.139 -9.036 3.201 1.00 0.00 O ATOM 1081 CB LEU A 66 11.507 -7.399 2.038 1.00 0.00 C ATOM 1082 CG LEU A 66 10.947 -7.789 3.411 1.00 0.00 C ATOM 1083 CD1 LEU A 66 11.079 -6.636 4.396 1.00 0.00 C ATOM 1084 CD2 LEU A 66 9.494 -8.225 3.289 1.00 0.00 C ATOM 0 H LEU A 66 12.675 -6.547 0.033 1.00 0.00 H new ATOM 0 HA LEU A 66 13.394 -6.667 2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.084 -6.436 1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.164 -8.128 1.304 1.00 0.00 H new ATOM 0 HG LEU A 66 11.529 -8.629 3.791 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.675 -6.936 5.363 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.131 -6.372 4.508 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.526 -5.774 4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.112 -8.498 4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.901 -7.405 2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.427 -9.085 2.622 1.00 0.00 H new ATOM 1096 N ASP A 67 13.627 -9.492 1.049 1.00 0.00 N ATOM 1097 CA ASP A 67 14.185 -10.847 1.078 1.00 0.00 C ATOM 1098 C ASP A 67 15.658 -10.826 1.485 1.00 0.00 C ATOM 1099 O ASP A 67 16.099 -11.655 2.282 1.00 0.00 O ATOM 1100 CB ASP A 67 14.035 -11.523 -0.289 1.00 0.00 C ATOM 1101 CG ASP A 67 13.953 -13.037 -0.183 1.00 0.00 C ATOM 1102 OD1 ASP A 67 14.967 -13.664 0.193 1.00 0.00 O ATOM 1103 OD2 ASP A 67 12.874 -13.594 -0.479 1.00 0.00 O ATOM 0 H ASP A 67 13.227 -9.222 0.151 1.00 0.00 H new ATOM 0 HA ASP A 67 13.627 -11.418 1.820 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.137 -11.147 -0.780 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.881 -11.251 -0.920 1.00 0.00 H new ATOM 1108 N ARG A 68 16.412 -9.872 0.937 1.00 0.00 N ATOM 1109 CA ARG A 68 17.836 -9.741 1.251 1.00 0.00 C ATOM 1110 C ARG A 68 18.046 -9.429 2.735 1.00 0.00 C ATOM 1111 O ARG A 68 19.048 -9.837 3.326 1.00 0.00 O ATOM 1112 CB ARG A 68 18.474 -8.645 0.391 1.00 0.00 C ATOM 1113 CG ARG A 68 19.239 -9.178 -0.811 1.00 0.00 C ATOM 1114 CD ARG A 68 18.451 -9.003 -2.100 1.00 0.00 C ATOM 1115 NE ARG A 68 18.600 -10.149 -2.997 1.00 0.00 N ATOM 1116 CZ ARG A 68 19.674 -10.371 -3.762 1.00 0.00 C ATOM 1117 NH1 ARG A 68 20.707 -9.532 -3.739 1.00 0.00 N ATOM 1118 NH2 ARG A 68 19.714 -11.439 -4.552 1.00 0.00 N ATOM 0 H ARG A 68 16.062 -9.180 0.275 1.00 0.00 H new ATOM 0 HA ARG A 68 18.317 -10.693 1.029 1.00 0.00 H new ATOM 0 HB2 ARG A 68 17.694 -7.968 0.043 1.00 0.00 H new ATOM 0 HB3 ARG A 68 19.152 -8.058 1.011 1.00 0.00 H new ATOM 0 HG2 ARG A 68 20.194 -8.659 -0.894 1.00 0.00 H new ATOM 0 HG3 ARG A 68 19.463 -10.234 -0.661 1.00 0.00 H new ATOM 0 HD2 ARG A 68 17.396 -8.863 -1.863 1.00 0.00 H new ATOM 0 HD3 ARG A 68 18.786 -8.099 -2.609 1.00 0.00 H new ATOM 0 HE ARG A 68 17.835 -10.822 -3.042 1.00 0.00 H new ATOM 0 HH11 ARG A 68 20.684 -8.711 -3.134 1.00 0.00 H new ATOM 0 HH12 ARG A 68 21.522 -9.710 -4.326 1.00 0.00 H new ATOM 0 HH21 ARG A 68 18.927 -12.087 -4.574 1.00 0.00 H new ATOM 0 HH22 ARG A 68 20.532 -11.611 -5.137 1.00 0.00 H new ATOM 1132 N SER A 69 17.095 -8.706 3.332 1.00 0.00 N ATOM 1133 CA SER A 69 17.175 -8.344 4.747 1.00 0.00 C ATOM 1134 C SER A 69 16.761 -9.515 5.640 1.00 0.00 C ATOM 1135 O SER A 69 15.879 -10.300 5.282 1.00 0.00 O ATOM 1136 CB SER A 69 16.286 -7.129 5.035 1.00 0.00 C ATOM 1137 OG SER A 69 16.190 -6.880 6.429 1.00 0.00 O ATOM 0 H SER A 69 16.261 -8.360 2.857 1.00 0.00 H new ATOM 0 HA SER A 69 18.211 -8.092 4.971 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.693 -6.251 4.534 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.291 -7.298 4.624 1.00 0.00 H new ATOM 0 HG SER A 69 15.246 -6.817 6.686 1.00 0.00 H new ATOM 1143 N SER A 70 17.395 -9.619 6.809 1.00 0.00 N ATOM 1144 CA SER A 70 17.087 -10.686 7.763 1.00 0.00 C ATOM 1145 C SER A 70 15.720 -10.471 8.427 1.00 0.00 C ATOM 1146 O SER A 70 15.145 -11.408 8.981 1.00 0.00 O ATOM 1147 CB SER A 70 18.178 -10.766 8.836 1.00 0.00 C ATOM 1148 OG SER A 70 18.431 -12.111 9.208 1.00 0.00 O ATOM 0 H SER A 70 18.125 -8.977 7.118 1.00 0.00 H new ATOM 0 HA SER A 70 17.051 -11.625 7.210 1.00 0.00 H new ATOM 0 HB2 SER A 70 19.095 -10.310 8.462 1.00 0.00 H new ATOM 0 HB3 SER A 70 17.873 -10.194 9.712 1.00 0.00 H new ATOM 0 HG SER A 70 19.132 -12.135 9.893 1.00 0.00 H new ATOM 1154 N SER A 71 15.207 -9.237 8.370 1.00 0.00 N ATOM 1155 CA SER A 71 13.912 -8.913 8.969 1.00 0.00 C ATOM 1156 C SER A 71 12.774 -9.030 7.948 1.00 0.00 C ATOM 1157 O SER A 71 11.836 -8.230 7.955 1.00 0.00 O ATOM 1158 CB SER A 71 13.944 -7.499 9.563 1.00 0.00 C ATOM 1159 OG SER A 71 13.950 -6.504 8.547 1.00 0.00 O ATOM 0 H SER A 71 15.669 -8.449 7.916 1.00 0.00 H new ATOM 0 HA SER A 71 13.723 -9.634 9.764 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.078 -7.355 10.209 1.00 0.00 H new ATOM 0 HB3 SER A 71 14.830 -7.386 10.188 1.00 0.00 H new ATOM 0 HG SER A 71 13.969 -5.615 8.960 1.00 0.00 H new ATOM 1165 N MET A 72 12.859 -10.036 7.077 1.00 0.00 N ATOM 1166 CA MET A 72 11.838 -10.256 6.061 1.00 0.00 C ATOM 1167 C MET A 72 10.610 -10.935 6.669 1.00 0.00 C ATOM 1168 O MET A 72 10.478 -12.161 6.622 1.00 0.00 O ATOM 1169 CB MET A 72 12.402 -11.103 4.918 1.00 0.00 C ATOM 1170 CG MET A 72 11.511 -11.135 3.685 1.00 0.00 C ATOM 1171 SD MET A 72 10.993 -12.804 3.239 1.00 0.00 S ATOM 1172 CE MET A 72 9.231 -12.708 3.549 1.00 0.00 C ATOM 0 H MET A 72 13.625 -10.709 7.057 1.00 0.00 H new ATOM 0 HA MET A 72 11.534 -9.288 5.663 1.00 0.00 H new ATOM 0 HB2 MET A 72 13.381 -10.714 4.638 1.00 0.00 H new ATOM 0 HB3 MET A 72 12.553 -12.122 5.273 1.00 0.00 H new ATOM 0 HG2 MET A 72 10.628 -10.521 3.865 1.00 0.00 H new ATOM 0 HG3 MET A 72 12.044 -10.689 2.846 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.862 -13.686 3.860 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.039 -11.981 4.338 1.00 0.00 H new ATOM 0 HE3 MET A 72 8.718 -12.399 2.638 1.00 0.00 H new ATOM 1182 N LYS A 73 9.717 -10.128 7.243 1.00 0.00 N ATOM 1183 CA LYS A 73 8.496 -10.642 7.866 1.00 0.00 C ATOM 1184 C LYS A 73 7.300 -9.749 7.541 1.00 0.00 C ATOM 1185 O LYS A 73 6.313 -10.208 6.964 1.00 0.00 O ATOM 1186 CB LYS A 73 8.668 -10.746 9.386 1.00 0.00 C ATOM 1187 CG LYS A 73 9.779 -11.694 9.818 1.00 0.00 C ATOM 1188 CD LYS A 73 10.659 -11.074 10.895 1.00 0.00 C ATOM 1189 CE LYS A 73 10.307 -11.601 12.280 1.00 0.00 C ATOM 1190 NZ LYS A 73 10.828 -12.980 12.507 1.00 0.00 N ATOM 0 H LYS A 73 9.816 -9.114 7.290 1.00 0.00 H new ATOM 0 HA LYS A 73 8.309 -11.637 7.461 1.00 0.00 H new ATOM 0 HB2 LYS A 73 8.874 -9.754 9.787 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.728 -11.079 9.826 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.343 -12.620 10.193 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.390 -11.956 8.955 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.705 -11.289 10.679 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.546 -9.990 10.878 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.715 -10.931 13.036 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.224 -11.599 12.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.565 -13.298 13.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.419 -13.626 11.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.864 -12.979 12.416 1.00 0.00 H new ATOM 1204 N SER A 74 7.394 -8.474 7.921 1.00 0.00 N ATOM 1205 CA SER A 74 6.321 -7.511 7.674 1.00 0.00 C ATOM 1206 C SER A 74 6.760 -6.446 6.670 1.00 0.00 C ATOM 1207 O SER A 74 7.945 -6.337 6.345 1.00 0.00 O ATOM 1208 CB SER A 74 5.889 -6.848 8.986 1.00 0.00 C ATOM 1209 OG SER A 74 7.006 -6.569 9.817 1.00 0.00 O ATOM 0 H SER A 74 8.204 -8.084 8.402 1.00 0.00 H new ATOM 0 HA SER A 74 5.474 -8.051 7.252 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.355 -5.923 8.769 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.195 -7.501 9.514 1.00 0.00 H new ATOM 0 HG SER A 74 6.699 -6.145 10.646 1.00 0.00 H new ATOM 1215 N LEU A 75 5.798 -5.659 6.181 1.00 0.00 N ATOM 1216 CA LEU A 75 6.087 -4.603 5.215 1.00 0.00 C ATOM 1217 C LEU A 75 5.627 -3.242 5.736 1.00 0.00 C ATOM 1218 O LEU A 75 4.551 -3.125 6.326 1.00 0.00 O ATOM 1219 CB LEU A 75 5.407 -4.906 3.876 1.00 0.00 C ATOM 1220 CG LEU A 75 5.970 -6.113 3.119 1.00 0.00 C ATOM 1221 CD1 LEU A 75 5.233 -7.386 3.513 1.00 0.00 C ATOM 1222 CD2 LEU A 75 5.885 -5.886 1.616 1.00 0.00 C ATOM 0 H LEU A 75 4.814 -5.735 6.440 1.00 0.00 H new ATOM 0 HA LEU A 75 7.166 -4.568 5.068 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.345 -5.073 4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.488 -4.026 3.238 1.00 0.00 H new ATOM 0 HG LEU A 75 7.019 -6.230 3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.648 -8.231 2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.348 -7.557 4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.175 -7.283 3.274 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.289 -6.753 1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.844 -5.742 1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.461 -5.000 1.349 1.00 0.00 H new ATOM 1234 N ARG A 76 6.451 -2.216 5.513 1.00 0.00 N ATOM 1235 CA ARG A 76 6.132 -0.860 5.959 1.00 0.00 C ATOM 1236 C ARG A 76 5.520 -0.039 4.822 1.00 0.00 C ATOM 1237 O ARG A 76 6.230 0.657 4.090 1.00 0.00 O ATOM 1238 CB ARG A 76 7.391 -0.168 6.495 1.00 0.00 C ATOM 1239 CG ARG A 76 7.166 0.581 7.801 1.00 0.00 C ATOM 1240 CD ARG A 76 8.483 1.012 8.433 1.00 0.00 C ATOM 1241 NE ARG A 76 9.228 1.940 7.581 1.00 0.00 N ATOM 1242 CZ ARG A 76 10.536 2.181 7.703 1.00 0.00 C ATOM 1243 NH1 ARG A 76 11.249 1.578 8.649 1.00 0.00 N ATOM 1244 NH2 ARG A 76 11.133 3.033 6.877 1.00 0.00 N ATOM 0 H ARG A 76 7.344 -2.299 5.026 1.00 0.00 H new ATOM 0 HA ARG A 76 5.398 -0.930 6.761 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.170 -0.915 6.644 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.759 0.531 5.744 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.546 1.458 7.616 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.619 -0.055 8.497 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.285 1.484 9.395 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.095 0.132 8.630 1.00 0.00 H new ATOM 0 HE ARG A 76 8.717 2.433 6.849 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.798 0.925 9.289 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.247 1.768 8.734 1.00 0.00 H new ATOM 0 HH21 ARG A 76 10.593 3.502 6.150 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.132 3.218 6.969 1.00 0.00 H new ATOM 1258 N ILE A 77 4.198 -0.127 4.679 1.00 0.00 N ATOM 1259 CA ILE A 77 3.483 0.605 3.636 1.00 0.00 C ATOM 1260 C ILE A 77 2.494 1.595 4.252 1.00 0.00 C ATOM 1261 O ILE A 77 1.565 1.198 4.959 1.00 0.00 O ATOM 1262 CB ILE A 77 2.721 -0.352 2.692 1.00 0.00 C ATOM 1263 CG1 ILE A 77 3.635 -1.495 2.231 1.00 0.00 C ATOM 1264 CG2 ILE A 77 2.168 0.407 1.492 1.00 0.00 C ATOM 1265 CD1 ILE A 77 2.938 -2.511 1.350 1.00 0.00 C ATOM 0 H ILE A 77 3.600 -0.700 5.274 1.00 0.00 H new ATOM 0 HA ILE A 77 4.229 1.147 3.056 1.00 0.00 H new ATOM 0 HB ILE A 77 1.884 -0.782 3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.482 -1.075 1.688 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.038 -2.002 3.107 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.635 -0.284 0.839 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.484 1.183 1.836 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.989 0.866 0.942 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.645 -3.289 1.063 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.108 -2.959 1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.558 -2.017 0.455 1.00 0.00 H new ATOM 1277 N LEU A 78 2.704 2.883 3.980 1.00 0.00 N ATOM 1278 CA LEU A 78 1.835 3.930 4.508 1.00 0.00 C ATOM 1279 C LEU A 78 0.969 4.537 3.405 1.00 0.00 C ATOM 1280 O LEU A 78 1.476 4.946 2.360 1.00 0.00 O ATOM 1281 CB LEU A 78 2.673 5.025 5.175 1.00 0.00 C ATOM 1282 CG LEU A 78 1.948 5.832 6.254 1.00 0.00 C ATOM 1283 CD1 LEU A 78 2.918 6.260 7.347 1.00 0.00 C ATOM 1284 CD2 LEU A 78 1.260 7.044 5.641 1.00 0.00 C ATOM 0 H LEU A 78 3.468 3.224 3.397 1.00 0.00 H new ATOM 0 HA LEU A 78 1.176 3.478 5.250 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.556 4.565 5.619 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.025 5.711 4.405 1.00 0.00 H new ATOM 0 HG LEU A 78 1.186 5.196 6.705 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.383 6.833 8.105 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.362 5.377 7.806 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.705 6.878 6.914 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.749 7.606 6.423 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.004 7.681 5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.534 6.713 4.899 1.00 0.00 H new ATOM 1296 N LEU A 79 -0.339 4.595 3.648 1.00 0.00 N ATOM 1297 CA LEU A 79 -1.278 5.159 2.680 1.00 0.00 C ATOM 1298 C LEU A 79 -1.910 6.440 3.219 1.00 0.00 C ATOM 1299 O LEU A 79 -2.292 6.508 4.389 1.00 0.00 O ATOM 1300 CB LEU A 79 -2.365 4.139 2.322 1.00 0.00 C ATOM 1301 CG LEU A 79 -3.133 3.550 3.511 1.00 0.00 C ATOM 1302 CD1 LEU A 79 -4.377 4.374 3.811 1.00 0.00 C ATOM 1303 CD2 LEU A 79 -3.502 2.100 3.237 1.00 0.00 C ATOM 0 H LEU A 79 -0.773 4.258 4.507 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.722 5.404 1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.079 4.615 1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.904 3.321 1.769 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.487 3.582 4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.907 3.938 4.658 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.087 5.397 4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.030 4.378 2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.047 1.696 4.090 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.129 2.046 2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.595 1.518 3.077 1.00 0.00 H new ATOM 1315 N LEU A 80 -2.006 7.454 2.363 1.00 0.00 N ATOM 1316 CA LEU A 80 -2.583 8.738 2.752 1.00 0.00 C ATOM 1317 C LEU A 80 -3.538 9.259 1.683 1.00 0.00 C ATOM 1318 O LEU A 80 -3.340 9.023 0.489 1.00 0.00 O ATOM 1319 CB LEU A 80 -1.476 9.771 2.998 1.00 0.00 C ATOM 1320 CG LEU A 80 -0.220 9.236 3.694 1.00 0.00 C ATOM 1321 CD1 LEU A 80 0.821 8.809 2.669 1.00 0.00 C ATOM 1322 CD2 LEU A 80 0.354 10.284 4.636 1.00 0.00 C ATOM 0 H LEU A 80 -1.691 7.411 1.394 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.144 8.583 3.674 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.184 10.201 2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.887 10.582 3.600 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.499 8.361 4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.705 8.432 3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.408 8.024 2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.097 9.665 2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.245 9.887 5.122 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.617 11.178 4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.388 10.539 5.392 1.00 0.00 H new ATOM 1334 N SER A 81 -4.567 9.983 2.120 1.00 0.00 N ATOM 1335 CA SER A 81 -5.548 10.556 1.202 1.00 0.00 C ATOM 1336 C SER A 81 -4.939 11.730 0.437 1.00 0.00 C ATOM 1337 O SER A 81 -4.087 12.445 0.961 1.00 0.00 O ATOM 1338 CB SER A 81 -6.799 11.009 1.962 1.00 0.00 C ATOM 1339 OG SER A 81 -6.463 11.573 3.219 1.00 0.00 O ATOM 0 H SER A 81 -4.742 10.186 3.104 1.00 0.00 H new ATOM 0 HA SER A 81 -5.839 9.786 0.487 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.343 11.742 1.366 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.465 10.159 2.109 1.00 0.00 H new ATOM 0 HG SER A 81 -7.281 11.854 3.680 1.00 0.00 H new ATOM 1345 N GLN A 82 -5.375 11.918 -0.810 1.00 0.00 N ATOM 1346 CA GLN A 82 -4.857 13.006 -1.645 1.00 0.00 C ATOM 1347 C GLN A 82 -5.484 14.363 -1.298 1.00 0.00 C ATOM 1348 O GLN A 82 -5.184 15.372 -1.938 1.00 0.00 O ATOM 1349 CB GLN A 82 -5.070 12.679 -3.130 1.00 0.00 C ATOM 1350 CG GLN A 82 -4.215 13.512 -4.077 1.00 0.00 C ATOM 1351 CD GLN A 82 -2.728 13.269 -3.894 1.00 0.00 C ATOM 1352 OE1 GLN A 82 -2.140 12.425 -4.565 1.00 0.00 O ATOM 1353 NE2 GLN A 82 -2.111 14.015 -2.982 1.00 0.00 N ATOM 0 H GLN A 82 -6.080 11.336 -1.262 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.789 13.090 -1.442 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -4.852 11.624 -3.294 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -6.121 12.830 -3.378 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -4.492 13.283 -5.106 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -4.428 14.569 -3.917 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -2.638 14.705 -2.446 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -1.111 13.897 -2.818 1.00 0.00 H new ATOM 1362 N ASP A 83 -6.330 14.372 -0.271 1.00 0.00 N ATOM 1363 CA ASP A 83 -7.002 15.586 0.202 1.00 0.00 C ATOM 1364 C ASP A 83 -7.930 16.181 -0.861 1.00 0.00 C ATOM 1365 O ASP A 83 -7.519 16.423 -1.995 1.00 0.00 O ATOM 1366 CB ASP A 83 -5.973 16.626 0.652 1.00 0.00 C ATOM 1367 CG ASP A 83 -6.545 17.605 1.660 1.00 0.00 C ATOM 1368 OD1 ASP A 83 -7.077 17.154 2.696 1.00 0.00 O ATOM 1369 OD2 ASP A 83 -6.460 18.825 1.413 1.00 0.00 O ATOM 0 H ASP A 83 -6.572 13.536 0.261 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.620 15.303 1.054 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -5.114 16.118 1.090 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -5.610 17.174 -0.217 1.00 0.00 H new ATOM 1374 N ARG A 84 -9.188 16.415 -0.471 1.00 0.00 N ATOM 1375 CA ARG A 84 -10.202 16.982 -1.369 1.00 0.00 C ATOM 1376 C ARG A 84 -10.642 15.957 -2.416 1.00 0.00 C ATOM 1377 O ARG A 84 -9.814 15.386 -3.128 1.00 0.00 O ATOM 1378 CB ARG A 84 -9.683 18.252 -2.061 1.00 0.00 C ATOM 1379 CG ARG A 84 -9.037 19.252 -1.113 1.00 0.00 C ATOM 1380 CD ARG A 84 -8.646 20.534 -1.835 1.00 0.00 C ATOM 1381 NE ARG A 84 -8.821 21.716 -0.992 1.00 0.00 N ATOM 1382 CZ ARG A 84 -7.958 22.095 -0.043 1.00 0.00 C ATOM 1383 NH1 ARG A 84 -6.858 21.383 0.193 1.00 0.00 N ATOM 1384 NH2 ARG A 84 -8.198 23.188 0.674 1.00 0.00 N ATOM 0 H ARG A 84 -9.531 16.218 0.469 1.00 0.00 H new ATOM 0 HA ARG A 84 -11.065 17.250 -0.759 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.957 17.968 -2.823 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -10.512 18.738 -2.576 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.728 19.486 -0.303 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.153 18.805 -0.659 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.606 20.467 -2.153 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.249 20.640 -2.737 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.653 22.287 -1.137 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.668 20.542 -0.352 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.205 21.679 0.918 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.040 23.737 0.500 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.540 23.478 1.398 1.00 0.00 H new ATOM 1398 N ASN A 85 -11.954 15.723 -2.498 1.00 0.00 N ATOM 1399 CA ASN A 85 -12.508 14.762 -3.450 1.00 0.00 C ATOM 1400 C ASN A 85 -13.201 15.465 -4.620 1.00 0.00 C ATOM 1401 O ASN A 85 -13.639 16.610 -4.499 1.00 0.00 O ATOM 1402 CB ASN A 85 -13.491 13.816 -2.749 1.00 0.00 C ATOM 1403 CG ASN A 85 -14.605 14.546 -2.011 1.00 0.00 C ATOM 1404 OD1 ASN A 85 -14.376 15.573 -1.370 1.00 0.00 O ATOM 1405 ND2 ASN A 85 -15.819 14.013 -2.091 1.00 0.00 N ATOM 0 H ASN A 85 -12.651 16.187 -1.916 1.00 0.00 H new ATOM 0 HA ASN A 85 -11.677 14.181 -3.850 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -13.932 13.147 -3.489 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -12.944 13.193 -2.042 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -16.603 14.455 -1.611 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -15.967 13.161 -2.632 1.00 0.00 H new ATOM 1412 N LEU A 86 -13.292 14.764 -5.752 1.00 0.00 N ATOM 1413 CA LEU A 86 -13.924 15.310 -6.952 1.00 0.00 C ATOM 1414 C LEU A 86 -15.284 14.656 -7.207 1.00 0.00 C ATOM 1415 O LEU A 86 -15.356 13.546 -7.741 1.00 0.00 O ATOM 1416 CB LEU A 86 -13.013 15.101 -8.168 1.00 0.00 C ATOM 1417 CG LEU A 86 -12.461 16.383 -8.797 1.00 0.00 C ATOM 1418 CD1 LEU A 86 -11.496 17.075 -7.844 1.00 0.00 C ATOM 1419 CD2 LEU A 86 -11.777 16.069 -10.121 1.00 0.00 C ATOM 0 H LEU A 86 -12.935 13.815 -5.862 1.00 0.00 H new ATOM 0 HA LEU A 86 -14.081 16.377 -6.794 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.175 14.471 -7.870 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.569 14.552 -8.928 1.00 0.00 H new ATOM 0 HG LEU A 86 -13.292 17.061 -8.990 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -11.114 17.984 -8.309 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -12.017 17.331 -6.921 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -10.665 16.406 -7.619 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.389 16.989 -10.557 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.955 15.374 -9.950 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.497 15.619 -10.805 1.00 0.00 H new ATOM 1431 N GLU A 87 -16.357 15.354 -6.833 1.00 0.00 N ATOM 1432 CA GLU A 87 -17.716 14.841 -7.033 1.00 0.00 C ATOM 1433 C GLU A 87 -18.748 15.973 -6.988 1.00 0.00 C ATOM 1434 O GLU A 87 -19.619 16.005 -6.116 1.00 0.00 O ATOM 1435 CB GLU A 87 -18.049 13.774 -5.982 1.00 0.00 C ATOM 1436 CG GLU A 87 -17.755 14.202 -4.554 1.00 0.00 C ATOM 1437 CD GLU A 87 -18.569 13.430 -3.535 1.00 0.00 C ATOM 1438 OE1 GLU A 87 -18.104 12.359 -3.089 1.00 0.00 O ATOM 1439 OE2 GLU A 87 -19.674 13.894 -3.181 1.00 0.00 O ATOM 0 H GLU A 87 -16.314 16.273 -6.392 1.00 0.00 H new ATOM 0 HA GLU A 87 -17.758 14.384 -8.022 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -19.105 13.516 -6.063 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -17.482 12.870 -6.204 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -16.694 14.062 -4.348 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -17.962 15.267 -4.448 1.00 0.00 H new ATOM 1446 N HIS A 88 -18.648 16.903 -7.943 1.00 0.00 N ATOM 1447 CA HIS A 88 -19.575 18.038 -8.019 1.00 0.00 C ATOM 1448 C HIS A 88 -20.990 17.582 -8.387 1.00 0.00 C ATOM 1449 O HIS A 88 -21.190 16.452 -8.838 1.00 0.00 O ATOM 1450 CB HIS A 88 -19.081 19.081 -9.034 1.00 0.00 C ATOM 1451 CG HIS A 88 -18.741 18.526 -10.391 1.00 0.00 C ATOM 1452 ND1 HIS A 88 -19.146 17.278 -10.833 1.00 0.00 N ATOM 1453 CD2 HIS A 88 -18.027 19.066 -11.408 1.00 0.00 C ATOM 1454 CE1 HIS A 88 -18.695 17.081 -12.057 1.00 0.00 C ATOM 1455 NE2 HIS A 88 -18.014 18.149 -12.430 1.00 0.00 N ATOM 0 H HIS A 88 -17.936 16.893 -8.673 1.00 0.00 H new ATOM 0 HA HIS A 88 -19.609 18.495 -7.030 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -19.849 19.846 -9.151 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -18.199 19.575 -8.627 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -19.705 16.615 -10.296 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -17.555 20.038 -11.414 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -18.856 16.195 -12.654 1.00 0.00 H new ATOM 1464 N HIS A 89 -21.968 18.469 -8.190 1.00 0.00 N ATOM 1465 CA HIS A 89 -23.362 18.160 -8.498 1.00 0.00 C ATOM 1466 C HIS A 89 -23.936 19.126 -9.537 1.00 0.00 C ATOM 1467 O HIS A 89 -24.209 18.736 -10.673 1.00 0.00 O ATOM 1468 CB HIS A 89 -24.207 18.198 -7.217 1.00 0.00 C ATOM 1469 CG HIS A 89 -24.915 16.912 -6.922 1.00 0.00 C ATOM 1470 ND1 HIS A 89 -24.255 15.748 -6.583 1.00 0.00 N ATOM 1471 CD2 HIS A 89 -26.236 16.610 -6.911 1.00 0.00 C ATOM 1472 CE1 HIS A 89 -25.138 14.787 -6.377 1.00 0.00 C ATOM 1473 NE2 HIS A 89 -26.346 15.284 -6.569 1.00 0.00 N ATOM 0 H HIS A 89 -21.818 19.407 -7.818 1.00 0.00 H new ATOM 0 HA HIS A 89 -23.395 17.156 -8.922 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -23.562 18.448 -6.375 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -24.944 18.996 -7.303 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -27.050 17.285 -7.130 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -24.910 13.769 -6.099 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -27.220 14.767 -6.478 1.00 0.00 H new ATOM 1482 N HIS A 90 -24.125 20.388 -9.139 1.00 0.00 N ATOM 1483 CA HIS A 90 -24.675 21.407 -10.036 1.00 0.00 C ATOM 1484 C HIS A 90 -24.331 22.813 -9.543 1.00 0.00 C ATOM 1485 O HIS A 90 -24.066 23.014 -8.357 1.00 0.00 O ATOM 1486 CB HIS A 90 -26.195 21.250 -10.147 1.00 0.00 C ATOM 1487 CG HIS A 90 -26.888 21.159 -8.822 1.00 0.00 C ATOM 1488 ND1 HIS A 90 -27.324 22.264 -8.121 1.00 0.00 N ATOM 1489 CD2 HIS A 90 -27.209 20.085 -8.065 1.00 0.00 C ATOM 1490 CE1 HIS A 90 -27.882 21.872 -6.989 1.00 0.00 C ATOM 1491 NE2 HIS A 90 -27.824 20.553 -6.931 1.00 0.00 N ATOM 0 H HIS A 90 -23.905 20.727 -8.203 1.00 0.00 H new ATOM 0 HA HIS A 90 -24.228 21.269 -11.020 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -26.600 22.097 -10.702 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -26.418 20.354 -10.726 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -27.017 19.050 -8.308 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -28.312 22.519 -6.239 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -28.179 19.977 -6.168 1.00 0.00 H new ATOM 1500 N HIS A 91 -24.338 23.783 -10.463 1.00 0.00 N ATOM 1501 CA HIS A 91 -24.024 25.173 -10.121 1.00 0.00 C ATOM 1502 C HIS A 91 -24.536 26.139 -11.189 1.00 0.00 C ATOM 1503 O HIS A 91 -24.697 25.768 -12.353 1.00 0.00 O ATOM 1504 CB HIS A 91 -22.512 25.348 -9.954 1.00 0.00 C ATOM 1505 CG HIS A 91 -22.034 25.184 -8.543 1.00 0.00 C ATOM 1506 ND1 HIS A 91 -22.742 25.633 -7.447 1.00 0.00 N ATOM 1507 CD2 HIS A 91 -20.908 24.614 -8.053 1.00 0.00 C ATOM 1508 CE1 HIS A 91 -22.072 25.346 -6.345 1.00 0.00 C ATOM 1509 NE2 HIS A 91 -20.958 24.727 -6.686 1.00 0.00 N ATOM 0 H HIS A 91 -24.557 23.631 -11.448 1.00 0.00 H new ATOM 0 HA HIS A 91 -24.525 25.404 -9.181 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -22.000 24.623 -10.587 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -22.229 26.339 -10.310 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -20.118 24.156 -8.630 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -22.383 25.578 -5.337 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -20.248 24.387 -6.038 1.00 0.00 H new ATOM 1518 N HIS A 92 -24.775 27.390 -10.784 1.00 0.00 N ATOM 1519 CA HIS A 92 -25.254 28.419 -11.707 1.00 0.00 C ATOM 1520 C HIS A 92 -24.151 28.833 -12.683 1.00 0.00 C ATOM 1521 O HIS A 92 -22.971 28.837 -12.334 1.00 0.00 O ATOM 1522 CB HIS A 92 -25.784 29.642 -10.942 1.00 0.00 C ATOM 1523 CG HIS A 92 -24.771 30.334 -10.071 1.00 0.00 C ATOM 1524 ND1 HIS A 92 -24.995 31.571 -9.498 1.00 0.00 N ATOM 1525 CD2 HIS A 92 -23.531 29.957 -9.665 1.00 0.00 C ATOM 1526 CE1 HIS A 92 -23.940 31.924 -8.785 1.00 0.00 C ATOM 1527 NE2 HIS A 92 -23.040 30.962 -8.869 1.00 0.00 N ATOM 0 H HIS A 92 -24.644 27.712 -9.825 1.00 0.00 H new ATOM 0 HA HIS A 92 -26.077 27.994 -12.281 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -26.174 30.361 -11.662 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -26.622 29.328 -10.320 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -23.025 29.038 -9.921 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -23.832 32.843 -8.228 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -22.126 30.965 -8.415 1.00 0.00 H new ATOM 1536 N HIS A 93 -24.549 29.172 -13.909 1.00 0.00 N ATOM 1537 CA HIS A 93 -23.600 29.582 -14.943 1.00 0.00 C ATOM 1538 C HIS A 93 -23.443 31.102 -14.983 1.00 0.00 C ATOM 1539 O HIS A 93 -22.347 31.570 -15.355 1.00 0.00 O ATOM 1540 CB HIS A 93 -24.057 29.068 -16.311 1.00 0.00 C ATOM 1541 CG HIS A 93 -23.401 27.786 -16.733 1.00 0.00 C ATOM 1542 ND1 HIS A 93 -22.751 26.939 -15.856 1.00 0.00 N ATOM 1543 CD2 HIS A 93 -23.301 27.204 -17.953 1.00 0.00 C ATOM 1544 CE1 HIS A 93 -22.281 25.897 -16.519 1.00 0.00 C ATOM 1545 NE2 HIS A 93 -22.602 26.034 -17.792 1.00 0.00 N ATOM 1546 OXT HIS A 93 -24.414 31.811 -14.641 1.00 0.00 O ATOM 0 H HIS A 93 -25.523 29.171 -14.210 1.00 0.00 H new ATOM 0 HA HIS A 93 -22.630 29.148 -14.699 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -25.137 28.922 -16.290 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -23.853 29.832 -17.061 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -23.698 27.590 -18.880 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -21.728 25.073 -16.092 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -22.368 25.376 -18.536 1.00 0.00 H new TER 1555 HIS A 93