USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 855 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 72 LYS NZ :NH3+ -173:sc=-0.00403 (180deg=-0.0159) USER MOD Set 1.2: A 73 GLN : amide:sc= -2.63! K(o=-2.6!,f=0.6) USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0799 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 38:sc= 1.14 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.0765 K(o=0.077,f=-7!) USER MOD Single : A 22 SER OG : rot 180:sc= -0.0462 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -1.23! C(o=-1.2!,f=-4.4!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 92:sc= 1.22 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -2.51 K(o=-2.5,f=-0.48) USER MOD Single : A 44 LYS NZ :NH3+ 156:sc= -0.0382 (180deg=-0.366) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 128:sc= -1.84 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-3!) USER MOD Single : A 59 TYR OH : rot 37:sc= 0.331 USER MOD Single : A 62 TYR OH : rot 13:sc= -0.689 USER MOD Single : A 63 LYS NZ :NH3+ -124:sc= -1.58! (180deg=-3.63!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 70 CYS SG : rot -10:sc= -4.4! USER MOD Single : A 71 HIS : no HE2:sc= -0.777 K(o=-0.78,f=-1.8) USER MOD Single : A 80 GLN : amide:sc= -0.729 K(o=-0.73,f=-1.3) USER MOD Single : A 86 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.259) USER MOD Single : A 90 ASN : amide:sc= -0.0838 K(o=-0.084,f=-2!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 162:sc= -0.0357 (180deg=-0.317) USER MOD Single : A 96 TYR OH : rot 8:sc= -0.518 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0562) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -36.761 -17.936 -10.907 1.00 0.00 N ATOM 2 CA GLY A 1 -36.125 -17.120 -11.925 1.00 0.00 C ATOM 3 C GLY A 1 -37.000 -16.936 -13.150 1.00 0.00 C ATOM 4 O GLY A 1 -38.134 -17.413 -13.188 1.00 0.00 O ATOM 0 H1 GLY A 1 -36.857 -17.385 -10.030 1.00 0.00 H new ATOM 0 H2 GLY A 1 -37.703 -18.230 -11.236 1.00 0.00 H new ATOM 0 H3 GLY A 1 -36.179 -18.778 -10.724 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -35.883 -16.144 -11.505 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -35.183 -17.582 -12.221 1.00 0.00 H new ATOM 8 N SER A 2 -36.472 -16.241 -14.152 1.00 0.00 N ATOM 9 CA SER A 2 -37.215 -15.990 -15.382 1.00 0.00 C ATOM 10 C SER A 2 -36.330 -15.310 -16.422 1.00 0.00 C ATOM 11 O SER A 2 -35.483 -14.482 -16.087 1.00 0.00 O ATOM 12 CB SER A 2 -38.441 -15.122 -15.094 1.00 0.00 C ATOM 13 OG SER A 2 -39.487 -15.397 -16.010 1.00 0.00 O ATOM 0 H SER A 2 -35.533 -15.842 -14.137 1.00 0.00 H new ATOM 0 HA SER A 2 -37.543 -16.950 -15.781 1.00 0.00 H new ATOM 0 HB2 SER A 2 -38.788 -15.303 -14.076 1.00 0.00 H new ATOM 0 HB3 SER A 2 -38.167 -14.069 -15.155 1.00 0.00 H new ATOM 0 HG SER A 2 -40.260 -14.831 -15.804 1.00 0.00 H new ATOM 19 N SER A 3 -36.532 -15.667 -17.687 1.00 0.00 N ATOM 20 CA SER A 3 -35.750 -15.095 -18.776 1.00 0.00 C ATOM 21 C SER A 3 -36.557 -14.040 -19.528 1.00 0.00 C ATOM 22 O SER A 3 -37.738 -13.832 -19.253 1.00 0.00 O ATOM 23 CB SER A 3 -35.302 -16.194 -19.742 1.00 0.00 C ATOM 24 OG SER A 3 -34.575 -17.203 -19.063 1.00 0.00 O ATOM 0 H SER A 3 -37.230 -16.349 -17.982 1.00 0.00 H new ATOM 0 HA SER A 3 -34.870 -14.617 -18.346 1.00 0.00 H new ATOM 0 HB2 SER A 3 -36.173 -16.633 -20.228 1.00 0.00 H new ATOM 0 HB3 SER A 3 -34.683 -15.762 -20.528 1.00 0.00 H new ATOM 0 HG SER A 3 -34.301 -17.895 -19.701 1.00 0.00 H new ATOM 30 N GLY A 4 -35.909 -13.376 -20.481 1.00 0.00 N ATOM 31 CA GLY A 4 -36.580 -12.350 -21.258 1.00 0.00 C ATOM 32 C GLY A 4 -35.978 -12.183 -22.639 1.00 0.00 C ATOM 33 O GLY A 4 -35.456 -13.137 -23.216 1.00 0.00 O ATOM 0 H GLY A 4 -34.932 -13.530 -20.729 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -37.636 -12.603 -21.353 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -36.527 -11.401 -20.724 1.00 0.00 H new ATOM 37 N SER A 5 -36.052 -10.967 -23.172 1.00 0.00 N ATOM 38 CA SER A 5 -35.515 -10.680 -24.496 1.00 0.00 C ATOM 39 C SER A 5 -34.089 -10.145 -24.400 1.00 0.00 C ATOM 40 O SER A 5 -33.858 -9.047 -23.895 1.00 0.00 O ATOM 41 CB SER A 5 -36.403 -9.667 -25.221 1.00 0.00 C ATOM 42 OG SER A 5 -37.426 -10.318 -25.954 1.00 0.00 O ATOM 0 H SER A 5 -36.479 -10.166 -22.707 1.00 0.00 H new ATOM 0 HA SER A 5 -35.498 -11.610 -25.063 1.00 0.00 H new ATOM 0 HB2 SER A 5 -36.848 -8.985 -24.497 1.00 0.00 H new ATOM 0 HB3 SER A 5 -35.796 -9.064 -25.896 1.00 0.00 H new ATOM 0 HG SER A 5 -37.981 -9.649 -26.407 1.00 0.00 H new ATOM 48 N SER A 6 -33.135 -10.932 -24.889 1.00 0.00 N ATOM 49 CA SER A 6 -31.730 -10.541 -24.855 1.00 0.00 C ATOM 50 C SER A 6 -31.567 -9.070 -25.225 1.00 0.00 C ATOM 51 O SER A 6 -31.075 -8.269 -24.431 1.00 0.00 O ATOM 52 CB SER A 6 -30.914 -11.412 -25.811 1.00 0.00 C ATOM 53 OG SER A 6 -29.586 -10.931 -25.931 1.00 0.00 O ATOM 0 H SER A 6 -33.309 -11.843 -25.313 1.00 0.00 H new ATOM 0 HA SER A 6 -31.362 -10.685 -23.839 1.00 0.00 H new ATOM 0 HB2 SER A 6 -30.901 -12.440 -25.449 1.00 0.00 H new ATOM 0 HB3 SER A 6 -31.389 -11.425 -26.792 1.00 0.00 H new ATOM 0 HG SER A 6 -29.084 -11.506 -26.546 1.00 0.00 H new ATOM 59 N GLY A 7 -31.984 -8.721 -26.439 1.00 0.00 N ATOM 60 CA GLY A 7 -31.875 -7.347 -26.894 1.00 0.00 C ATOM 61 C GLY A 7 -31.030 -7.216 -28.145 1.00 0.00 C ATOM 62 O GLY A 7 -31.535 -7.350 -29.260 1.00 0.00 O ATOM 0 H GLY A 7 -32.395 -9.365 -27.115 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -32.872 -6.952 -27.090 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -31.441 -6.738 -26.101 1.00 0.00 H new ATOM 66 N ILE A 8 -29.740 -6.953 -27.961 1.00 0.00 N ATOM 67 CA ILE A 8 -28.824 -6.803 -29.084 1.00 0.00 C ATOM 68 C ILE A 8 -29.154 -5.558 -29.901 1.00 0.00 C ATOM 69 O ILE A 8 -29.238 -5.612 -31.128 1.00 0.00 O ATOM 70 CB ILE A 8 -28.860 -8.034 -30.008 1.00 0.00 C ATOM 71 CG1 ILE A 8 -28.634 -9.313 -29.199 1.00 0.00 C ATOM 72 CG2 ILE A 8 -27.815 -7.903 -31.106 1.00 0.00 C ATOM 73 CD1 ILE A 8 -27.289 -9.361 -28.508 1.00 0.00 C ATOM 0 H ILE A 8 -29.306 -6.840 -27.045 1.00 0.00 H new ATOM 0 HA ILE A 8 -27.823 -6.704 -28.663 1.00 0.00 H new ATOM 0 HB ILE A 8 -29.843 -8.091 -30.475 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -29.421 -9.404 -28.451 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -28.724 -10.173 -29.862 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -27.853 -8.781 -31.751 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -28.018 -7.010 -31.697 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -26.824 -7.824 -30.658 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -27.198 -10.295 -27.954 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -26.495 -9.302 -29.253 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -27.204 -8.521 -27.819 1.00 0.00 H new ATOM 85 N ASP A 9 -29.339 -4.437 -29.212 1.00 0.00 N ATOM 86 CA ASP A 9 -29.657 -3.177 -29.874 1.00 0.00 C ATOM 87 C ASP A 9 -28.633 -2.103 -29.519 1.00 0.00 C ATOM 88 O ASP A 9 -28.323 -1.890 -28.346 1.00 0.00 O ATOM 89 CB ASP A 9 -31.060 -2.711 -29.482 1.00 0.00 C ATOM 90 CG ASP A 9 -31.167 -2.372 -28.008 1.00 0.00 C ATOM 91 OD1 ASP A 9 -30.961 -3.278 -27.174 1.00 0.00 O ATOM 92 OD2 ASP A 9 -31.456 -1.200 -27.689 1.00 0.00 O ATOM 0 H ASP A 9 -29.274 -4.375 -28.196 1.00 0.00 H new ATOM 0 HA ASP A 9 -29.625 -3.342 -30.951 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -31.327 -1.835 -30.073 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -31.780 -3.492 -29.725 1.00 0.00 H new ATOM 97 N SER A 10 -28.110 -1.431 -30.539 1.00 0.00 N ATOM 98 CA SER A 10 -27.117 -0.382 -30.335 1.00 0.00 C ATOM 99 C SER A 10 -27.287 0.734 -31.361 1.00 0.00 C ATOM 100 O SER A 10 -28.139 0.655 -32.245 1.00 0.00 O ATOM 101 CB SER A 10 -25.705 -0.963 -30.426 1.00 0.00 C ATOM 102 OG SER A 10 -25.533 -1.700 -31.624 1.00 0.00 O ATOM 0 H SER A 10 -28.357 -1.594 -31.515 1.00 0.00 H new ATOM 0 HA SER A 10 -27.266 0.037 -29.340 1.00 0.00 H new ATOM 0 HB2 SER A 10 -24.973 -0.156 -30.383 1.00 0.00 H new ATOM 0 HB3 SER A 10 -25.518 -1.609 -29.568 1.00 0.00 H new ATOM 0 HG SER A 10 -24.622 -2.059 -31.659 1.00 0.00 H new ATOM 108 N GLY A 11 -26.468 1.774 -31.236 1.00 0.00 N ATOM 109 CA GLY A 11 -26.543 2.892 -32.158 1.00 0.00 C ATOM 110 C GLY A 11 -25.185 3.503 -32.440 1.00 0.00 C ATOM 111 O GLY A 11 -24.157 2.837 -32.308 1.00 0.00 O ATOM 0 H GLY A 11 -25.754 1.862 -30.513 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -26.989 2.557 -33.095 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -27.203 3.655 -31.746 1.00 0.00 H new ATOM 115 N LEU A 12 -25.179 4.772 -32.833 1.00 0.00 N ATOM 116 CA LEU A 12 -23.936 5.473 -33.137 1.00 0.00 C ATOM 117 C LEU A 12 -24.047 6.954 -32.790 1.00 0.00 C ATOM 118 O LEU A 12 -25.037 7.606 -33.120 1.00 0.00 O ATOM 119 CB LEU A 12 -23.584 5.309 -34.616 1.00 0.00 C ATOM 120 CG LEU A 12 -23.579 3.876 -35.150 1.00 0.00 C ATOM 121 CD1 LEU A 12 -24.979 3.458 -35.571 1.00 0.00 C ATOM 122 CD2 LEU A 12 -22.609 3.745 -36.315 1.00 0.00 C ATOM 0 H LEU A 12 -26.021 5.337 -32.949 1.00 0.00 H new ATOM 0 HA LEU A 12 -23.143 5.035 -32.530 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -24.292 5.892 -35.204 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -22.598 5.742 -34.784 1.00 0.00 H new ATOM 0 HG LEU A 12 -23.249 3.212 -34.351 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -24.955 2.436 -35.948 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -25.649 3.513 -34.713 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -25.338 4.126 -36.354 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -22.618 2.719 -36.683 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -22.909 4.420 -37.116 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -21.603 4.002 -35.982 1.00 0.00 H new ATOM 134 N SER A 13 -23.024 7.479 -32.123 1.00 0.00 N ATOM 135 CA SER A 13 -23.007 8.883 -31.730 1.00 0.00 C ATOM 136 C SER A 13 -21.610 9.306 -31.285 1.00 0.00 C ATOM 137 O SER A 13 -20.826 8.507 -30.773 1.00 0.00 O ATOM 138 CB SER A 13 -24.011 9.131 -30.603 1.00 0.00 C ATOM 139 OG SER A 13 -25.296 9.430 -31.120 1.00 0.00 O ATOM 0 H SER A 13 -22.196 6.953 -31.843 1.00 0.00 H new ATOM 0 HA SER A 13 -23.290 9.481 -32.597 1.00 0.00 H new ATOM 0 HB2 SER A 13 -24.069 8.250 -29.963 1.00 0.00 H new ATOM 0 HB3 SER A 13 -23.666 9.956 -29.979 1.00 0.00 H new ATOM 0 HG SER A 13 -25.464 8.884 -31.916 1.00 0.00 H new ATOM 145 N PRO A 14 -21.291 10.593 -31.484 1.00 0.00 N ATOM 146 CA PRO A 14 -19.989 11.153 -31.110 1.00 0.00 C ATOM 147 C PRO A 14 -19.808 11.240 -29.599 1.00 0.00 C ATOM 148 O PRO A 14 -20.708 11.675 -28.880 1.00 0.00 O ATOM 149 CB PRO A 14 -20.015 12.554 -31.727 1.00 0.00 C ATOM 150 CG PRO A 14 -21.461 12.898 -31.826 1.00 0.00 C ATOM 151 CD PRO A 14 -22.178 11.602 -32.089 1.00 0.00 C ATOM 0 HA PRO A 14 -19.163 10.533 -31.460 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -19.479 13.271 -31.104 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -19.538 12.564 -32.707 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -21.816 13.360 -30.905 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -21.638 13.612 -32.630 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -23.168 11.591 -31.634 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -22.316 11.428 -33.156 1.00 0.00 H new ATOM 159 N SER A 15 -18.639 10.825 -29.122 1.00 0.00 N ATOM 160 CA SER A 15 -18.341 10.853 -27.695 1.00 0.00 C ATOM 161 C SER A 15 -16.906 11.308 -27.449 1.00 0.00 C ATOM 162 O SER A 15 -16.073 11.293 -28.355 1.00 0.00 O ATOM 163 CB SER A 15 -18.563 9.471 -27.079 1.00 0.00 C ATOM 164 OG SER A 15 -19.944 9.202 -26.914 1.00 0.00 O ATOM 0 H SER A 15 -17.882 10.465 -29.703 1.00 0.00 H new ATOM 0 HA SER A 15 -19.016 11.566 -27.222 1.00 0.00 H new ATOM 0 HB2 SER A 15 -18.115 8.709 -27.716 1.00 0.00 H new ATOM 0 HB3 SER A 15 -18.060 9.415 -26.113 1.00 0.00 H new ATOM 0 HG SER A 15 -20.059 8.312 -26.520 1.00 0.00 H new ATOM 170 N VAL A 16 -16.624 11.713 -26.214 1.00 0.00 N ATOM 171 CA VAL A 16 -15.290 12.172 -25.846 1.00 0.00 C ATOM 172 C VAL A 16 -14.751 11.393 -24.652 1.00 0.00 C ATOM 173 O VAL A 16 -15.516 10.901 -23.820 1.00 0.00 O ATOM 174 CB VAL A 16 -15.286 13.675 -25.509 1.00 0.00 C ATOM 175 CG1 VAL A 16 -16.127 13.946 -24.271 1.00 0.00 C ATOM 176 CG2 VAL A 16 -13.862 14.174 -25.316 1.00 0.00 C ATOM 0 H VAL A 16 -17.302 11.732 -25.452 1.00 0.00 H new ATOM 0 HA VAL A 16 -14.647 12.000 -26.709 1.00 0.00 H new ATOM 0 HB VAL A 16 -15.727 14.219 -26.345 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -16.113 15.013 -24.048 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -17.153 13.627 -24.451 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -15.718 13.393 -23.425 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -13.878 15.238 -25.079 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.392 13.627 -24.499 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.294 14.015 -26.232 1.00 0.00 H new ATOM 186 N LEU A 17 -13.429 11.283 -24.571 1.00 0.00 N ATOM 187 CA LEU A 17 -12.786 10.564 -23.477 1.00 0.00 C ATOM 188 C LEU A 17 -12.390 11.519 -22.356 1.00 0.00 C ATOM 189 O LEU A 17 -11.684 12.500 -22.584 1.00 0.00 O ATOM 190 CB LEU A 17 -11.552 9.818 -23.987 1.00 0.00 C ATOM 191 CG LEU A 17 -10.329 10.680 -24.301 1.00 0.00 C ATOM 192 CD1 LEU A 17 -9.465 10.855 -23.062 1.00 0.00 C ATOM 193 CD2 LEU A 17 -9.521 10.066 -25.435 1.00 0.00 C ATOM 0 H LEU A 17 -12.782 11.683 -25.250 1.00 0.00 H new ATOM 0 HA LEU A 17 -13.500 9.843 -23.079 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.267 9.076 -23.241 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.829 9.273 -24.889 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.674 11.664 -24.618 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.600 11.471 -23.306 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.047 11.340 -22.278 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.128 9.879 -22.712 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.654 10.693 -25.645 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.187 9.070 -25.146 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.142 9.995 -26.328 1.00 0.00 H new ATOM 205 N MET A 18 -12.849 11.223 -21.144 1.00 0.00 N ATOM 206 CA MET A 18 -12.540 12.055 -19.986 1.00 0.00 C ATOM 207 C MET A 18 -12.808 11.300 -18.688 1.00 0.00 C ATOM 208 O MET A 18 -13.896 10.763 -18.484 1.00 0.00 O ATOM 209 CB MET A 18 -13.365 13.342 -20.021 1.00 0.00 C ATOM 210 CG MET A 18 -13.025 14.312 -18.901 1.00 0.00 C ATOM 211 SD MET A 18 -11.290 14.805 -18.911 1.00 0.00 S ATOM 212 CE MET A 18 -11.445 16.588 -18.967 1.00 0.00 C ATOM 0 H MET A 18 -13.436 10.414 -20.938 1.00 0.00 H new ATOM 0 HA MET A 18 -11.481 12.310 -20.025 1.00 0.00 H new ATOM 0 HB2 MET A 18 -13.210 13.837 -20.979 1.00 0.00 H new ATOM 0 HB3 MET A 18 -14.423 13.087 -19.961 1.00 0.00 H new ATOM 0 HG2 MET A 18 -13.651 15.199 -18.992 1.00 0.00 H new ATOM 0 HG3 MET A 18 -13.262 13.851 -17.942 1.00 0.00 H new ATOM 0 HE1 MET A 18 -10.453 17.039 -18.978 1.00 0.00 H new ATOM 0 HE2 MET A 18 -11.986 16.878 -19.868 1.00 0.00 H new ATOM 0 HE3 MET A 18 -11.991 16.933 -18.089 1.00 0.00 H new ATOM 222 N ALA A 19 -11.808 11.263 -17.813 1.00 0.00 N ATOM 223 CA ALA A 19 -11.937 10.575 -16.534 1.00 0.00 C ATOM 224 C ALA A 19 -10.750 10.878 -15.626 1.00 0.00 C ATOM 225 O ALA A 19 -9.598 10.824 -16.056 1.00 0.00 O ATOM 226 CB ALA A 19 -12.069 9.075 -16.752 1.00 0.00 C ATOM 0 H ALA A 19 -10.900 11.701 -17.967 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.839 10.940 -16.043 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -12.164 8.574 -15.789 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -12.953 8.872 -17.356 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -11.184 8.703 -17.268 1.00 0.00 H new ATOM 232 N SER A 20 -11.039 11.196 -14.368 1.00 0.00 N ATOM 233 CA SER A 20 -9.995 11.512 -13.400 1.00 0.00 C ATOM 234 C SER A 20 -9.583 10.267 -12.621 1.00 0.00 C ATOM 235 O SER A 20 -10.282 9.833 -11.707 1.00 0.00 O ATOM 236 CB SER A 20 -10.477 12.595 -12.434 1.00 0.00 C ATOM 237 OG SER A 20 -10.956 13.729 -13.137 1.00 0.00 O ATOM 0 H SER A 20 -11.987 11.242 -13.995 1.00 0.00 H new ATOM 0 HA SER A 20 -9.127 11.882 -13.946 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.268 12.195 -11.800 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.660 12.890 -11.776 1.00 0.00 H new ATOM 0 HG SER A 20 -11.260 14.406 -12.497 1.00 0.00 H new ATOM 243 N ASN A 21 -8.441 9.696 -12.991 1.00 0.00 N ATOM 244 CA ASN A 21 -7.934 8.500 -12.328 1.00 0.00 C ATOM 245 C ASN A 21 -6.772 8.843 -11.401 1.00 0.00 C ATOM 246 O ASN A 21 -5.608 8.769 -11.793 1.00 0.00 O ATOM 247 CB ASN A 21 -7.485 7.468 -13.365 1.00 0.00 C ATOM 248 CG ASN A 21 -6.455 8.026 -14.327 1.00 0.00 C ATOM 249 OD1 ASN A 21 -6.369 9.237 -14.530 1.00 0.00 O ATOM 250 ND2 ASN A 21 -5.665 7.141 -14.926 1.00 0.00 N ATOM 0 H ASN A 21 -7.849 10.042 -13.746 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.741 8.077 -11.730 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.068 6.601 -12.853 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.352 7.120 -13.927 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.952 7.457 -15.584 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.771 6.146 -14.728 1.00 0.00 H new ATOM 257 N SER A 22 -7.097 9.219 -10.168 1.00 0.00 N ATOM 258 CA SER A 22 -6.082 9.577 -9.185 1.00 0.00 C ATOM 259 C SER A 22 -6.608 9.386 -7.765 1.00 0.00 C ATOM 260 O SER A 22 -7.785 9.090 -7.562 1.00 0.00 O ATOM 261 CB SER A 22 -5.636 11.027 -9.385 1.00 0.00 C ATOM 262 OG SER A 22 -4.981 11.191 -10.631 1.00 0.00 O ATOM 0 H SER A 22 -8.056 9.283 -9.826 1.00 0.00 H new ATOM 0 HA SER A 22 -5.226 8.918 -9.328 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.502 11.687 -9.336 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.966 11.320 -8.577 1.00 0.00 H new ATOM 0 HG SER A 22 -4.707 12.126 -10.736 1.00 0.00 H new ATOM 268 N GLY A 23 -5.726 9.558 -6.785 1.00 0.00 N ATOM 269 CA GLY A 23 -6.119 9.401 -5.397 1.00 0.00 C ATOM 270 C GLY A 23 -6.039 10.701 -4.621 1.00 0.00 C ATOM 271 O GLY A 23 -5.163 11.528 -4.873 1.00 0.00 O ATOM 0 H GLY A 23 -4.746 9.803 -6.928 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.138 9.017 -5.352 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.477 8.658 -4.923 1.00 0.00 H new ATOM 275 N ARG A 24 -6.956 10.882 -3.677 1.00 0.00 N ATOM 276 CA ARG A 24 -6.987 12.092 -2.864 1.00 0.00 C ATOM 277 C ARG A 24 -7.849 11.889 -1.621 1.00 0.00 C ATOM 278 O ARG A 24 -8.955 11.354 -1.700 1.00 0.00 O ATOM 279 CB ARG A 24 -7.522 13.268 -3.682 1.00 0.00 C ATOM 280 CG ARG A 24 -7.420 14.605 -2.966 1.00 0.00 C ATOM 281 CD ARG A 24 -6.054 15.241 -3.167 1.00 0.00 C ATOM 282 NE ARG A 24 -5.991 16.025 -4.397 1.00 0.00 N ATOM 283 CZ ARG A 24 -4.859 16.302 -5.035 1.00 0.00 C ATOM 284 NH1 ARG A 24 -3.702 15.860 -4.561 1.00 0.00 N ATOM 285 NH2 ARG A 24 -4.883 17.021 -6.150 1.00 0.00 N ATOM 0 H ARG A 24 -7.688 10.206 -3.456 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.968 12.313 -2.547 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.972 13.326 -4.622 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.565 13.079 -3.934 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.194 15.277 -3.336 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.604 14.464 -1.901 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.824 15.882 -2.316 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.292 14.462 -3.194 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.864 16.379 -4.788 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.680 15.306 -3.705 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.834 16.074 -5.053 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.771 17.362 -6.518 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.013 17.233 -6.639 1.00 0.00 H new ATOM 299 N ARG A 25 -7.334 12.320 -0.474 1.00 0.00 N ATOM 300 CA ARG A 25 -8.055 12.185 0.786 1.00 0.00 C ATOM 301 C ARG A 25 -9.376 12.947 0.741 1.00 0.00 C ATOM 302 O ARG A 25 -9.752 13.498 -0.294 1.00 0.00 O ATOM 303 CB ARG A 25 -7.199 12.696 1.946 1.00 0.00 C ATOM 304 CG ARG A 25 -6.243 11.654 2.503 1.00 0.00 C ATOM 305 CD ARG A 25 -5.097 12.299 3.266 1.00 0.00 C ATOM 306 NE ARG A 25 -3.970 12.619 2.394 1.00 0.00 N ATOM 307 CZ ARG A 25 -3.054 13.536 2.684 1.00 0.00 C ATOM 308 NH1 ARG A 25 -3.131 14.221 3.816 1.00 0.00 N ATOM 309 NH2 ARG A 25 -2.057 13.769 1.839 1.00 0.00 N ATOM 0 H ARG A 25 -6.420 12.766 -0.391 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.270 11.128 0.940 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.626 13.560 1.610 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.854 13.040 2.746 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.785 10.977 3.163 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.844 11.052 1.687 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.451 13.209 3.750 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.764 11.627 4.057 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.882 12.110 1.514 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.896 14.045 4.468 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.426 14.924 4.035 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.994 13.244 0.967 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.354 14.473 2.062 1.00 0.00 H new ATOM 323 N SER A 26 -10.077 12.974 1.870 1.00 0.00 N ATOM 324 CA SER A 26 -11.358 13.665 1.958 1.00 0.00 C ATOM 325 C SER A 26 -12.319 13.167 0.882 1.00 0.00 C ATOM 326 O SER A 26 -12.850 13.952 0.097 1.00 0.00 O ATOM 327 CB SER A 26 -11.158 15.175 1.820 1.00 0.00 C ATOM 328 OG SER A 26 -10.310 15.672 2.841 1.00 0.00 O ATOM 0 H SER A 26 -9.779 12.525 2.736 1.00 0.00 H new ATOM 0 HA SER A 26 -11.791 13.451 2.935 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.728 15.400 0.844 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.123 15.679 1.867 1.00 0.00 H new ATOM 0 HG SER A 26 -10.196 16.639 2.730 1.00 0.00 H new ATOM 334 N ALA A 27 -12.537 11.856 0.853 1.00 0.00 N ATOM 335 CA ALA A 27 -13.434 11.253 -0.125 1.00 0.00 C ATOM 336 C ALA A 27 -13.600 9.759 0.131 1.00 0.00 C ATOM 337 O ALA A 27 -12.757 9.114 0.756 1.00 0.00 O ATOM 338 CB ALA A 27 -12.918 11.495 -1.535 1.00 0.00 C ATOM 0 H ALA A 27 -12.105 11.192 1.495 1.00 0.00 H new ATOM 0 HA ALA A 27 -14.412 11.724 -0.023 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.598 11.039 -2.255 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.858 12.567 -1.721 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.928 11.052 -1.641 1.00 0.00 H new ATOM 344 N PRO A 28 -14.712 9.193 -0.361 1.00 0.00 N ATOM 345 CA PRO A 28 -15.014 7.768 -0.198 1.00 0.00 C ATOM 346 C PRO A 28 -14.082 6.880 -1.016 1.00 0.00 C ATOM 347 O PRO A 28 -13.318 7.352 -1.858 1.00 0.00 O ATOM 348 CB PRO A 28 -16.452 7.649 -0.710 1.00 0.00 C ATOM 349 CG PRO A 28 -16.611 8.787 -1.659 1.00 0.00 C ATOM 350 CD PRO A 28 -15.759 9.901 -1.116 1.00 0.00 C ATOM 0 HA PRO A 28 -14.886 7.440 0.834 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.618 6.693 -1.207 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -17.170 7.712 0.108 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -16.292 8.506 -2.663 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -17.655 9.093 -1.730 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -15.336 10.510 -1.915 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -16.333 10.570 -0.475 1.00 0.00 H new ATOM 358 N PRO A 29 -14.146 5.564 -0.765 1.00 0.00 N ATOM 359 CA PRO A 29 -13.315 4.583 -1.469 1.00 0.00 C ATOM 360 C PRO A 29 -13.719 4.423 -2.930 1.00 0.00 C ATOM 361 O PRO A 29 -14.700 5.016 -3.382 1.00 0.00 O ATOM 362 CB PRO A 29 -13.569 3.285 -0.698 1.00 0.00 C ATOM 363 CG PRO A 29 -14.914 3.466 -0.084 1.00 0.00 C ATOM 364 CD PRO A 29 -15.034 4.933 0.226 1.00 0.00 C ATOM 0 HA PRO A 29 -12.267 4.881 -1.496 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -13.550 2.420 -1.361 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.806 3.120 0.062 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -15.701 3.146 -0.767 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -15.014 2.867 0.821 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -16.062 5.282 0.125 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -14.720 5.155 1.246 1.00 0.00 H new ATOM 372 N LEU A 30 -12.959 3.619 -3.665 1.00 0.00 N ATOM 373 CA LEU A 30 -13.239 3.380 -5.077 1.00 0.00 C ATOM 374 C LEU A 30 -14.469 2.494 -5.246 1.00 0.00 C ATOM 375 O LEU A 30 -14.568 1.430 -4.635 1.00 0.00 O ATOM 376 CB LEU A 30 -12.031 2.731 -5.754 1.00 0.00 C ATOM 377 CG LEU A 30 -11.854 3.032 -7.243 1.00 0.00 C ATOM 378 CD1 LEU A 30 -10.521 2.496 -7.741 1.00 0.00 C ATOM 379 CD2 LEU A 30 -13.002 2.441 -8.047 1.00 0.00 C ATOM 0 H LEU A 30 -12.144 3.121 -3.307 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.439 4.341 -5.550 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.131 3.051 -5.230 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.106 1.651 -5.629 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.861 4.114 -7.379 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.413 2.719 -8.802 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.709 2.967 -7.186 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.484 1.417 -7.592 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.859 2.665 -9.104 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.027 1.361 -7.905 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.944 2.873 -7.709 1.00 0.00 H new ATOM 391 N ASN A 31 -15.403 2.939 -6.080 1.00 0.00 N ATOM 392 CA ASN A 31 -16.626 2.185 -6.331 1.00 0.00 C ATOM 393 C ASN A 31 -16.332 0.924 -7.138 1.00 0.00 C ATOM 394 O ASN A 31 -16.240 0.966 -8.366 1.00 0.00 O ATOM 395 CB ASN A 31 -17.642 3.054 -7.074 1.00 0.00 C ATOM 396 CG ASN A 31 -17.243 3.306 -8.515 1.00 0.00 C ATOM 397 OD1 ASN A 31 -16.112 3.701 -8.798 1.00 0.00 O ATOM 398 ND2 ASN A 31 -18.174 3.077 -9.435 1.00 0.00 N ATOM 0 H ASN A 31 -15.336 3.818 -6.593 1.00 0.00 H new ATOM 0 HA ASN A 31 -17.045 1.890 -5.369 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -18.618 2.569 -7.050 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -17.747 4.008 -6.557 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -17.964 3.228 -10.422 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -19.099 2.750 -9.155 1.00 0.00 H new ATOM 405 N LEU A 32 -16.185 -0.197 -6.441 1.00 0.00 N ATOM 406 CA LEU A 32 -15.901 -1.472 -7.092 1.00 0.00 C ATOM 407 C LEU A 32 -17.107 -1.954 -7.891 1.00 0.00 C ATOM 408 O LEU A 32 -17.014 -2.190 -9.097 1.00 0.00 O ATOM 409 CB LEU A 32 -15.511 -2.523 -6.052 1.00 0.00 C ATOM 410 CG LEU A 32 -14.445 -2.101 -5.039 1.00 0.00 C ATOM 411 CD1 LEU A 32 -14.202 -3.210 -4.027 1.00 0.00 C ATOM 412 CD2 LEU A 32 -13.151 -1.731 -5.749 1.00 0.00 C ATOM 0 H LEU A 32 -16.258 -0.250 -5.425 1.00 0.00 H new ATOM 0 HA LEU A 32 -15.068 -1.324 -7.779 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -16.408 -2.815 -5.506 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.155 -3.410 -6.576 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.806 -1.222 -4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.441 -2.892 -3.315 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.129 -3.427 -3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.862 -4.107 -4.545 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.404 -1.433 -5.013 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.785 -2.591 -6.310 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.336 -0.903 -6.434 1.00 0.00 H new ATOM 424 N THR A 33 -18.242 -2.099 -7.213 1.00 0.00 N ATOM 425 CA THR A 33 -19.467 -2.552 -7.859 1.00 0.00 C ATOM 426 C THR A 33 -19.553 -2.043 -9.293 1.00 0.00 C ATOM 427 O THR A 33 -19.727 -0.848 -9.528 1.00 0.00 O ATOM 428 CB THR A 33 -20.715 -2.088 -7.086 1.00 0.00 C ATOM 429 OG1 THR A 33 -21.885 -2.267 -7.891 1.00 0.00 O ATOM 430 CG2 THR A 33 -20.589 -0.627 -6.683 1.00 0.00 C ATOM 0 H THR A 33 -18.337 -1.909 -6.215 1.00 0.00 H new ATOM 0 HA THR A 33 -19.437 -3.642 -7.864 1.00 0.00 H new ATOM 0 HB THR A 33 -20.801 -2.692 -6.183 1.00 0.00 H new ATOM 0 HG1 THR A 33 -22.674 -1.971 -7.391 1.00 0.00 H new ATOM 0 HG21 THR A 33 -21.482 -0.321 -6.138 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.714 -0.500 -6.046 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.480 -0.011 -7.576 1.00 0.00 H new ATOM 438 N GLY A 34 -19.430 -2.958 -10.250 1.00 0.00 N ATOM 439 CA GLY A 34 -19.497 -2.581 -11.650 1.00 0.00 C ATOM 440 C GLY A 34 -18.174 -2.770 -12.366 1.00 0.00 C ATOM 441 O GLY A 34 -18.125 -3.343 -13.455 1.00 0.00 O ATOM 0 H GLY A 34 -19.285 -3.953 -10.081 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -20.264 -3.176 -12.147 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.803 -1.538 -11.728 1.00 0.00 H new ATOM 445 N LEU A 35 -17.099 -2.285 -11.755 1.00 0.00 N ATOM 446 CA LEU A 35 -15.768 -2.402 -12.341 1.00 0.00 C ATOM 447 C LEU A 35 -15.472 -3.845 -12.738 1.00 0.00 C ATOM 448 O LEU A 35 -15.838 -4.793 -12.044 1.00 0.00 O ATOM 449 CB LEU A 35 -14.709 -1.906 -11.355 1.00 0.00 C ATOM 450 CG LEU A 35 -14.527 -0.390 -11.272 1.00 0.00 C ATOM 451 CD1 LEU A 35 -13.690 -0.018 -10.058 1.00 0.00 C ATOM 452 CD2 LEU A 35 -13.886 0.141 -12.546 1.00 0.00 C ATOM 0 H LEU A 35 -17.123 -1.807 -10.854 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.738 -1.784 -13.238 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -14.964 -2.276 -10.362 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.752 -2.352 -11.625 1.00 0.00 H new ATOM 0 HG LEU A 35 -15.510 0.069 -11.165 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.571 1.065 -10.016 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.188 -0.364 -9.153 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.709 -0.488 -10.134 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -13.764 1.221 -12.469 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.910 -0.325 -12.684 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -14.524 -0.092 -13.399 1.00 0.00 H new ATOM 464 N PRO A 36 -14.792 -4.017 -13.882 1.00 0.00 N ATOM 465 CA PRO A 36 -14.430 -5.341 -14.396 1.00 0.00 C ATOM 466 C PRO A 36 -13.364 -6.021 -13.544 1.00 0.00 C ATOM 467 O PRO A 36 -12.385 -5.394 -13.140 1.00 0.00 O ATOM 468 CB PRO A 36 -13.887 -5.041 -15.795 1.00 0.00 C ATOM 469 CG PRO A 36 -13.406 -3.633 -15.721 1.00 0.00 C ATOM 470 CD PRO A 36 -14.324 -2.932 -14.760 1.00 0.00 C ATOM 0 HA PRO A 36 -15.277 -6.027 -14.391 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -13.078 -5.722 -16.060 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.662 -5.155 -16.553 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.373 -3.591 -15.375 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.433 -3.159 -16.702 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.802 -2.157 -14.198 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -15.153 -2.448 -15.277 1.00 0.00 H new ATOM 478 N GLY A 37 -13.559 -7.309 -13.276 1.00 0.00 N ATOM 479 CA GLY A 37 -12.605 -8.053 -12.475 1.00 0.00 C ATOM 480 C GLY A 37 -13.076 -8.249 -11.047 1.00 0.00 C ATOM 481 O GLY A 37 -12.606 -9.148 -10.348 1.00 0.00 O ATOM 0 H GLY A 37 -14.361 -7.850 -13.600 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.431 -9.026 -12.934 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.650 -7.527 -12.471 1.00 0.00 H new ATOM 485 N THR A 38 -14.007 -7.406 -10.611 1.00 0.00 N ATOM 486 CA THR A 38 -14.539 -7.489 -9.257 1.00 0.00 C ATOM 487 C THR A 38 -14.948 -8.917 -8.914 1.00 0.00 C ATOM 488 O THR A 38 -15.036 -9.282 -7.742 1.00 0.00 O ATOM 489 CB THR A 38 -15.754 -6.561 -9.073 1.00 0.00 C ATOM 490 OG1 THR A 38 -15.383 -5.207 -9.354 1.00 0.00 O ATOM 491 CG2 THR A 38 -16.301 -6.659 -7.657 1.00 0.00 C ATOM 0 H THR A 38 -14.408 -6.658 -11.177 1.00 0.00 H new ATOM 0 HA THR A 38 -13.743 -7.170 -8.584 1.00 0.00 H new ATOM 0 HB THR A 38 -16.532 -6.876 -9.768 1.00 0.00 H new ATOM 0 HG1 THR A 38 -15.558 -5.009 -10.298 1.00 0.00 H new ATOM 0 HG21 THR A 38 -17.159 -5.995 -7.551 1.00 0.00 H new ATOM 0 HG22 THR A 38 -16.610 -7.685 -7.456 1.00 0.00 H new ATOM 0 HG23 THR A 38 -15.527 -6.368 -6.947 1.00 0.00 H new ATOM 499 N GLU A 39 -15.197 -9.720 -9.943 1.00 0.00 N ATOM 500 CA GLU A 39 -15.597 -11.109 -9.749 1.00 0.00 C ATOM 501 C GLU A 39 -14.376 -12.019 -9.659 1.00 0.00 C ATOM 502 O GLU A 39 -14.346 -12.962 -8.867 1.00 0.00 O ATOM 503 CB GLU A 39 -16.506 -11.566 -10.892 1.00 0.00 C ATOM 504 CG GLU A 39 -15.777 -11.745 -12.214 1.00 0.00 C ATOM 505 CD GLU A 39 -16.708 -11.664 -13.408 1.00 0.00 C ATOM 506 OE1 GLU A 39 -17.686 -12.439 -13.452 1.00 0.00 O ATOM 507 OE2 GLU A 39 -16.457 -10.826 -14.299 1.00 0.00 O ATOM 0 H GLU A 39 -15.129 -9.433 -10.919 1.00 0.00 H new ATOM 0 HA GLU A 39 -16.147 -11.174 -8.810 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.977 -12.509 -10.616 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.306 -10.837 -11.023 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -15.006 -10.980 -12.306 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.270 -12.710 -12.218 1.00 0.00 H new ATOM 514 N LYS A 40 -13.370 -11.732 -10.478 1.00 0.00 N ATOM 515 CA LYS A 40 -12.145 -12.523 -10.493 1.00 0.00 C ATOM 516 C LYS A 40 -11.534 -12.605 -9.098 1.00 0.00 C ATOM 517 O LYS A 40 -11.353 -13.694 -8.551 1.00 0.00 O ATOM 518 CB LYS A 40 -11.134 -11.917 -11.469 1.00 0.00 C ATOM 519 CG LYS A 40 -11.290 -12.418 -12.895 1.00 0.00 C ATOM 520 CD LYS A 40 -10.076 -12.075 -13.742 1.00 0.00 C ATOM 521 CE LYS A 40 -10.252 -12.539 -15.180 1.00 0.00 C ATOM 522 NZ LYS A 40 -9.515 -11.669 -16.138 1.00 0.00 N ATOM 0 H LYS A 40 -13.379 -10.957 -11.141 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.397 -13.532 -10.820 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.239 -10.832 -11.460 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.126 -12.143 -11.122 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.437 -13.498 -12.888 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.182 -11.978 -13.341 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.911 -10.998 -13.724 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.189 -12.541 -13.314 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.899 -13.566 -15.276 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.312 -12.542 -15.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.660 -12.018 -17.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.869 -10.694 -16.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.500 -11.686 -15.912 1.00 0.00 H new ATOM 536 N LEU A 41 -11.218 -11.448 -8.526 1.00 0.00 N ATOM 537 CA LEU A 41 -10.628 -11.389 -7.193 1.00 0.00 C ATOM 538 C LEU A 41 -11.703 -11.507 -6.116 1.00 0.00 C ATOM 539 O LEU A 41 -12.876 -11.721 -6.418 1.00 0.00 O ATOM 540 CB LEU A 41 -9.853 -10.083 -7.014 1.00 0.00 C ATOM 541 CG LEU A 41 -10.548 -8.816 -7.513 1.00 0.00 C ATOM 542 CD1 LEU A 41 -11.907 -8.657 -6.850 1.00 0.00 C ATOM 543 CD2 LEU A 41 -9.679 -7.593 -7.254 1.00 0.00 C ATOM 0 H LEU A 41 -11.360 -10.538 -8.965 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.941 -12.229 -7.089 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.631 -9.958 -5.954 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.898 -10.177 -7.531 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.700 -8.907 -8.589 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.387 -7.750 -7.217 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.531 -9.519 -7.087 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -11.779 -8.588 -5.770 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.190 -6.701 -7.616 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.495 -7.497 -6.184 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.729 -7.704 -7.777 1.00 0.00 H new ATOM 555 N ASN A 42 -11.292 -11.365 -4.860 1.00 0.00 N ATOM 556 CA ASN A 42 -12.220 -11.454 -3.739 1.00 0.00 C ATOM 557 C ASN A 42 -12.087 -10.239 -2.825 1.00 0.00 C ATOM 558 O ASN A 42 -11.344 -9.305 -3.123 1.00 0.00 O ATOM 559 CB ASN A 42 -11.968 -12.736 -2.942 1.00 0.00 C ATOM 560 CG ASN A 42 -10.514 -13.165 -2.982 1.00 0.00 C ATOM 561 OD1 ASN A 42 -10.199 -14.294 -3.360 1.00 0.00 O ATOM 562 ND2 ASN A 42 -9.620 -12.264 -2.592 1.00 0.00 N ATOM 0 H ASN A 42 -10.323 -11.188 -4.593 1.00 0.00 H new ATOM 0 HA ASN A 42 -13.234 -11.476 -4.139 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.270 -12.582 -1.906 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.591 -13.537 -3.340 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.627 -12.496 -2.598 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.927 -11.340 -2.287 1.00 0.00 H new ATOM 569 N GLU A 43 -12.812 -10.261 -1.711 1.00 0.00 N ATOM 570 CA GLU A 43 -12.774 -9.162 -0.754 1.00 0.00 C ATOM 571 C GLU A 43 -11.335 -8.794 -0.404 1.00 0.00 C ATOM 572 O GLU A 43 -10.938 -7.632 -0.502 1.00 0.00 O ATOM 573 CB GLU A 43 -13.539 -9.536 0.517 1.00 0.00 C ATOM 574 CG GLU A 43 -13.083 -10.845 1.140 1.00 0.00 C ATOM 575 CD GLU A 43 -14.171 -11.512 1.958 1.00 0.00 C ATOM 576 OE1 GLU A 43 -15.352 -11.416 1.565 1.00 0.00 O ATOM 577 OE2 GLU A 43 -13.841 -12.131 2.991 1.00 0.00 O ATOM 0 H GLU A 43 -13.432 -11.027 -1.449 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.250 -8.297 -1.215 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.424 -8.736 1.248 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.602 -9.605 0.284 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.758 -11.524 0.352 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.218 -10.658 1.776 1.00 0.00 H new ATOM 584 N LYS A 44 -10.558 -9.791 0.004 1.00 0.00 N ATOM 585 CA LYS A 44 -9.163 -9.575 0.368 1.00 0.00 C ATOM 586 C LYS A 44 -8.518 -8.535 -0.543 1.00 0.00 C ATOM 587 O LYS A 44 -7.960 -7.545 -0.071 1.00 0.00 O ATOM 588 CB LYS A 44 -8.384 -10.890 0.291 1.00 0.00 C ATOM 589 CG LYS A 44 -8.383 -11.674 1.592 1.00 0.00 C ATOM 590 CD LYS A 44 -7.100 -12.470 1.762 1.00 0.00 C ATOM 591 CE LYS A 44 -6.039 -11.668 2.497 1.00 0.00 C ATOM 592 NZ LYS A 44 -6.406 -11.436 3.922 1.00 0.00 N ATOM 0 H LYS A 44 -10.871 -10.758 0.091 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.134 -9.203 1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.812 -11.510 -0.497 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.354 -10.676 0.005 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.501 -10.988 2.431 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.237 -12.351 1.611 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.310 -13.387 2.312 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.721 -12.765 0.783 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.087 -12.196 2.449 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.898 -10.709 1.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.544 -11.267 4.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.030 -10.607 3.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.900 -12.272 4.294 1.00 0.00 H new ATOM 606 N GLU A 45 -8.599 -8.768 -1.849 1.00 0.00 N ATOM 607 CA GLU A 45 -8.023 -7.850 -2.825 1.00 0.00 C ATOM 608 C GLU A 45 -8.859 -6.579 -2.936 1.00 0.00 C ATOM 609 O GLU A 45 -8.338 -5.468 -2.836 1.00 0.00 O ATOM 610 CB GLU A 45 -7.919 -8.526 -4.194 1.00 0.00 C ATOM 611 CG GLU A 45 -7.110 -9.812 -4.178 1.00 0.00 C ATOM 612 CD GLU A 45 -7.565 -10.801 -5.234 1.00 0.00 C ATOM 613 OE1 GLU A 45 -7.036 -10.747 -6.364 1.00 0.00 O ATOM 614 OE2 GLU A 45 -8.449 -11.628 -4.930 1.00 0.00 O ATOM 0 H GLU A 45 -9.057 -9.584 -2.256 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.024 -7.578 -2.485 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.923 -8.743 -4.560 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.466 -7.830 -4.900 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.057 -9.577 -4.336 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.189 -10.275 -3.194 1.00 0.00 H new ATOM 621 N LYS A 46 -10.160 -6.750 -3.144 1.00 0.00 N ATOM 622 CA LYS A 46 -11.071 -5.618 -3.269 1.00 0.00 C ATOM 623 C LYS A 46 -10.709 -4.517 -2.276 1.00 0.00 C ATOM 624 O LYS A 46 -10.763 -3.332 -2.604 1.00 0.00 O ATOM 625 CB LYS A 46 -12.515 -6.071 -3.040 1.00 0.00 C ATOM 626 CG LYS A 46 -13.095 -6.861 -4.200 1.00 0.00 C ATOM 627 CD LYS A 46 -14.413 -7.517 -3.824 1.00 0.00 C ATOM 628 CE LYS A 46 -15.587 -6.575 -4.044 1.00 0.00 C ATOM 629 NZ LYS A 46 -16.879 -7.195 -3.637 1.00 0.00 N ATOM 0 H LYS A 46 -10.608 -7.662 -3.230 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.978 -5.218 -4.279 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -12.557 -6.682 -2.138 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -13.138 -5.195 -2.860 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -13.247 -6.199 -5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.383 -7.625 -4.513 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.554 -8.420 -4.418 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.383 -7.824 -2.779 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -15.429 -5.659 -3.476 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -15.635 -6.293 -5.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -17.654 -6.522 -3.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -17.043 -8.056 -4.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -16.843 -7.441 -2.627 1.00 0.00 H new ATOM 643 N GLU A 47 -10.340 -4.918 -1.064 1.00 0.00 N ATOM 644 CA GLU A 47 -9.969 -3.964 -0.025 1.00 0.00 C ATOM 645 C GLU A 47 -8.902 -2.996 -0.530 1.00 0.00 C ATOM 646 O GLU A 47 -9.050 -1.778 -0.420 1.00 0.00 O ATOM 647 CB GLU A 47 -9.458 -4.700 1.216 1.00 0.00 C ATOM 648 CG GLU A 47 -8.937 -3.774 2.301 1.00 0.00 C ATOM 649 CD GLU A 47 -10.020 -3.345 3.272 1.00 0.00 C ATOM 650 OE1 GLU A 47 -10.769 -2.401 2.945 1.00 0.00 O ATOM 651 OE2 GLU A 47 -10.118 -3.953 4.359 1.00 0.00 O ATOM 0 H GLU A 47 -10.290 -5.896 -0.777 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.858 -3.392 0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.265 -5.308 1.625 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.662 -5.384 0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.140 -4.276 2.850 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.498 -2.890 1.839 1.00 0.00 H new ATOM 658 N LEU A 48 -7.828 -3.547 -1.085 1.00 0.00 N ATOM 659 CA LEU A 48 -6.735 -2.734 -1.608 1.00 0.00 C ATOM 660 C LEU A 48 -7.242 -1.750 -2.657 1.00 0.00 C ATOM 661 O LEU A 48 -6.832 -0.589 -2.683 1.00 0.00 O ATOM 662 CB LEU A 48 -5.652 -3.629 -2.212 1.00 0.00 C ATOM 663 CG LEU A 48 -4.690 -4.283 -1.220 1.00 0.00 C ATOM 664 CD1 LEU A 48 -3.769 -5.260 -1.933 1.00 0.00 C ATOM 665 CD2 LEU A 48 -3.881 -3.224 -0.485 1.00 0.00 C ATOM 0 H LEU A 48 -7.691 -4.553 -1.185 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.309 -2.166 -0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.139 -4.416 -2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.068 -3.035 -2.915 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.276 -4.838 -0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.092 -5.715 -1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.364 -6.037 -2.412 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.190 -4.729 -2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.202 -3.707 0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.305 -2.641 -1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.556 -2.564 0.060 1.00 0.00 H new ATOM 677 N CYS A 49 -8.137 -2.221 -3.519 1.00 0.00 N ATOM 678 CA CYS A 49 -8.702 -1.382 -4.570 1.00 0.00 C ATOM 679 C CYS A 49 -9.360 -0.139 -3.979 1.00 0.00 C ATOM 680 O CYS A 49 -9.401 0.914 -4.614 1.00 0.00 O ATOM 681 CB CYS A 49 -9.722 -2.173 -5.390 1.00 0.00 C ATOM 682 SG CYS A 49 -9.005 -3.524 -6.354 1.00 0.00 S ATOM 0 H CYS A 49 -8.487 -3.179 -3.511 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.889 -1.065 -5.223 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -10.476 -2.581 -4.717 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -10.236 -1.491 -6.067 1.00 0.00 H new ATOM 0 HG CYS A 49 -9.649 -4.625 -6.103 1.00 0.00 H new ATOM 688 N GLN A 50 -9.874 -0.271 -2.760 1.00 0.00 N ATOM 689 CA GLN A 50 -10.532 0.841 -2.085 1.00 0.00 C ATOM 690 C GLN A 50 -9.513 1.733 -1.384 1.00 0.00 C ATOM 691 O GLN A 50 -9.318 2.887 -1.763 1.00 0.00 O ATOM 692 CB GLN A 50 -11.553 0.319 -1.073 1.00 0.00 C ATOM 693 CG GLN A 50 -12.585 -0.619 -1.678 1.00 0.00 C ATOM 694 CD GLN A 50 -13.791 -0.817 -0.781 1.00 0.00 C ATOM 695 OE1 GLN A 50 -14.366 0.146 -0.273 1.00 0.00 O ATOM 696 NE2 GLN A 50 -14.181 -2.070 -0.580 1.00 0.00 N ATOM 0 H GLN A 50 -9.847 -1.136 -2.220 1.00 0.00 H new ATOM 0 HA GLN A 50 -11.049 1.435 -2.838 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -11.026 -0.201 -0.273 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -12.067 1.166 -0.618 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -12.913 -0.221 -2.638 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -12.121 -1.585 -1.875 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.675 -2.838 -1.021 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -14.986 -2.264 0.015 1.00 0.00 H new ATOM 705 N VAL A 51 -8.865 1.189 -0.358 1.00 0.00 N ATOM 706 CA VAL A 51 -7.865 1.934 0.396 1.00 0.00 C ATOM 707 C VAL A 51 -6.815 2.537 -0.530 1.00 0.00 C ATOM 708 O VAL A 51 -6.392 3.679 -0.347 1.00 0.00 O ATOM 709 CB VAL A 51 -7.164 1.040 1.436 1.00 0.00 C ATOM 710 CG1 VAL A 51 -6.423 -0.098 0.749 1.00 0.00 C ATOM 711 CG2 VAL A 51 -6.216 1.863 2.294 1.00 0.00 C ATOM 0 H VAL A 51 -9.015 0.235 -0.031 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.392 2.735 0.914 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.923 0.607 2.087 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.934 -0.719 1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.131 -0.703 0.182 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.673 0.312 0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.730 1.215 3.023 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.461 2.326 1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.777 2.638 2.815 1.00 0.00 H new ATOM 721 N VAL A 52 -6.397 1.762 -1.526 1.00 0.00 N ATOM 722 CA VAL A 52 -5.397 2.220 -2.483 1.00 0.00 C ATOM 723 C VAL A 52 -6.041 3.016 -3.612 1.00 0.00 C ATOM 724 O VAL A 52 -5.357 3.718 -4.359 1.00 0.00 O ATOM 725 CB VAL A 52 -4.614 1.038 -3.085 1.00 0.00 C ATOM 726 CG1 VAL A 52 -3.387 1.536 -3.834 1.00 0.00 C ATOM 727 CG2 VAL A 52 -4.220 0.051 -1.997 1.00 0.00 C ATOM 0 H VAL A 52 -6.736 0.814 -1.691 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.707 2.863 -1.937 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.259 0.522 -3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.847 0.687 -4.252 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.698 2.201 -4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.736 2.078 -3.147 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.668 -0.778 -2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.592 0.553 -1.260 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.117 -0.330 -1.510 1.00 0.00 H new ATOM 737 N ARG A 53 -7.359 2.904 -3.731 1.00 0.00 N ATOM 738 CA ARG A 53 -8.096 3.614 -4.770 1.00 0.00 C ATOM 739 C ARG A 53 -7.629 3.184 -6.157 1.00 0.00 C ATOM 740 O ARG A 53 -7.322 4.021 -7.008 1.00 0.00 O ATOM 741 CB ARG A 53 -7.922 5.125 -4.606 1.00 0.00 C ATOM 742 CG ARG A 53 -8.156 5.615 -3.187 1.00 0.00 C ATOM 743 CD ARG A 53 -8.500 7.096 -3.158 1.00 0.00 C ATOM 744 NE ARG A 53 -8.102 7.726 -1.902 1.00 0.00 N ATOM 745 CZ ARG A 53 -8.837 7.688 -0.796 1.00 0.00 C ATOM 746 NH1 ARG A 53 -10.001 7.052 -0.790 1.00 0.00 N ATOM 747 NH2 ARG A 53 -8.407 8.285 0.308 1.00 0.00 N ATOM 0 H ARG A 53 -7.939 2.328 -3.121 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.152 3.364 -4.668 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.914 5.402 -4.915 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.613 5.636 -5.276 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.965 5.044 -2.733 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.264 5.436 -2.587 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.005 7.599 -3.989 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.573 7.222 -3.303 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.211 8.222 -1.872 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.334 6.590 -1.636 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.563 7.025 0.061 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.512 8.774 0.308 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.972 8.255 1.157 1.00 0.00 H new ATOM 761 N LEU A 54 -7.576 1.876 -6.379 1.00 0.00 N ATOM 762 CA LEU A 54 -7.146 1.334 -7.664 1.00 0.00 C ATOM 763 C LEU A 54 -8.158 0.325 -8.196 1.00 0.00 C ATOM 764 O LEU A 54 -8.729 -0.457 -7.436 1.00 0.00 O ATOM 765 CB LEU A 54 -5.773 0.673 -7.527 1.00 0.00 C ATOM 766 CG LEU A 54 -4.887 0.702 -8.772 1.00 0.00 C ATOM 767 CD1 LEU A 54 -3.490 0.196 -8.445 1.00 0.00 C ATOM 768 CD2 LEU A 54 -5.508 -0.124 -9.889 1.00 0.00 C ATOM 0 H LEU A 54 -7.825 1.170 -5.686 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.076 2.159 -8.373 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.237 1.161 -6.713 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.920 -0.367 -7.234 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.807 1.734 -9.113 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.873 0.224 -9.343 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.044 0.830 -7.679 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.551 -0.829 -8.078 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.863 -0.092 -10.767 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.620 -1.157 -9.559 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.487 0.284 -10.142 1.00 0.00 H new ATOM 780 N VAL A 55 -8.374 0.347 -9.508 1.00 0.00 N ATOM 781 CA VAL A 55 -9.315 -0.569 -10.143 1.00 0.00 C ATOM 782 C VAL A 55 -8.868 -2.017 -9.979 1.00 0.00 C ATOM 783 O VAL A 55 -7.692 -2.351 -10.129 1.00 0.00 O ATOM 784 CB VAL A 55 -9.474 -0.258 -11.643 1.00 0.00 C ATOM 785 CG1 VAL A 55 -8.381 -0.943 -12.449 1.00 0.00 C ATOM 786 CG2 VAL A 55 -10.851 -0.680 -12.131 1.00 0.00 C ATOM 0 H VAL A 55 -7.910 0.989 -10.151 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.276 -0.431 -9.647 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.377 0.818 -11.786 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.510 -0.712 -13.506 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.406 -0.587 -12.116 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.443 -2.021 -12.303 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.946 -0.453 -13.193 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.979 -1.751 -11.976 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.616 -0.139 -11.574 1.00 0.00 H new ATOM 796 N PRO A 56 -9.827 -2.900 -9.664 1.00 0.00 N ATOM 797 CA PRO A 56 -9.557 -4.328 -9.474 1.00 0.00 C ATOM 798 C PRO A 56 -9.203 -5.030 -10.781 1.00 0.00 C ATOM 799 O PRO A 56 -8.697 -6.151 -10.777 1.00 0.00 O ATOM 800 CB PRO A 56 -10.876 -4.868 -8.918 1.00 0.00 C ATOM 801 CG PRO A 56 -11.913 -3.921 -9.415 1.00 0.00 C ATOM 802 CD PRO A 56 -11.250 -2.572 -9.470 1.00 0.00 C ATOM 0 HA PRO A 56 -8.702 -4.497 -8.820 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.067 -5.883 -9.267 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.862 -4.903 -7.829 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.274 -4.219 -10.399 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.777 -3.904 -8.751 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.638 -1.966 -10.289 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.411 -2.007 -8.552 1.00 0.00 H new ATOM 810 N GLY A 57 -9.472 -4.362 -11.898 1.00 0.00 N ATOM 811 CA GLY A 57 -9.175 -4.937 -13.197 1.00 0.00 C ATOM 812 C GLY A 57 -7.705 -4.836 -13.554 1.00 0.00 C ATOM 813 O GLY A 57 -7.205 -5.602 -14.376 1.00 0.00 O ATOM 0 H GLY A 57 -9.891 -3.432 -11.927 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.476 -5.984 -13.205 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.766 -4.430 -13.959 1.00 0.00 H new ATOM 817 N ALA A 58 -7.013 -3.885 -12.935 1.00 0.00 N ATOM 818 CA ALA A 58 -5.592 -3.686 -13.192 1.00 0.00 C ATOM 819 C ALA A 58 -4.740 -4.395 -12.145 1.00 0.00 C ATOM 820 O ALA A 58 -3.692 -4.958 -12.461 1.00 0.00 O ATOM 821 CB ALA A 58 -5.264 -2.200 -13.223 1.00 0.00 C ATOM 0 H ALA A 58 -7.413 -3.241 -12.253 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.360 -4.119 -14.165 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.200 -2.066 -13.416 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.839 -1.717 -14.013 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.518 -1.751 -12.263 1.00 0.00 H new ATOM 827 N TYR A 59 -5.196 -4.364 -10.898 1.00 0.00 N ATOM 828 CA TYR A 59 -4.474 -5.002 -9.804 1.00 0.00 C ATOM 829 C TYR A 59 -4.149 -6.454 -10.139 1.00 0.00 C ATOM 830 O TYR A 59 -3.176 -7.017 -9.636 1.00 0.00 O ATOM 831 CB TYR A 59 -5.296 -4.936 -8.515 1.00 0.00 C ATOM 832 CG TYR A 59 -4.837 -5.909 -7.454 1.00 0.00 C ATOM 833 CD1 TYR A 59 -3.853 -5.556 -6.538 1.00 0.00 C ATOM 834 CD2 TYR A 59 -5.386 -7.183 -7.366 1.00 0.00 C ATOM 835 CE1 TYR A 59 -3.429 -6.442 -5.567 1.00 0.00 C ATOM 836 CE2 TYR A 59 -4.970 -8.075 -6.397 1.00 0.00 C ATOM 837 CZ TYR A 59 -3.991 -7.700 -5.500 1.00 0.00 C ATOM 838 OH TYR A 59 -3.573 -8.587 -4.534 1.00 0.00 O ATOM 0 H TYR A 59 -6.063 -3.904 -10.620 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.538 -4.463 -9.658 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.246 -3.924 -8.114 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.342 -5.135 -8.750 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.412 -4.571 -6.586 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.151 -7.481 -8.068 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.662 -6.152 -4.864 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.409 -9.060 -6.342 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.388 -8.102 -3.703 1.00 0.00 H new ATOM 848 N LEU A 60 -4.970 -7.055 -10.993 1.00 0.00 N ATOM 849 CA LEU A 60 -4.771 -8.443 -11.398 1.00 0.00 C ATOM 850 C LEU A 60 -3.626 -8.559 -12.398 1.00 0.00 C ATOM 851 O LEU A 60 -2.928 -9.572 -12.442 1.00 0.00 O ATOM 852 CB LEU A 60 -6.056 -9.005 -12.008 1.00 0.00 C ATOM 853 CG LEU A 60 -7.308 -8.920 -11.134 1.00 0.00 C ATOM 854 CD1 LEU A 60 -8.555 -9.192 -11.961 1.00 0.00 C ATOM 855 CD2 LEU A 60 -7.214 -9.895 -9.970 1.00 0.00 C ATOM 0 H LEU A 60 -5.780 -6.604 -11.419 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.514 -9.022 -10.511 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.252 -8.477 -12.941 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.886 -10.051 -12.263 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.378 -7.910 -10.730 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.436 -9.127 -11.323 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.630 -8.454 -12.759 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.494 -10.190 -12.395 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.114 -9.820 -9.359 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.119 -10.911 -10.353 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.342 -9.653 -9.362 1.00 0.00 H new ATOM 867 N GLU A 61 -3.437 -7.514 -13.198 1.00 0.00 N ATOM 868 CA GLU A 61 -2.375 -7.500 -14.197 1.00 0.00 C ATOM 869 C GLU A 61 -1.014 -7.284 -13.541 1.00 0.00 C ATOM 870 O GLU A 61 -0.011 -7.859 -13.964 1.00 0.00 O ATOM 871 CB GLU A 61 -2.634 -6.405 -15.233 1.00 0.00 C ATOM 872 CG GLU A 61 -3.494 -6.861 -16.400 1.00 0.00 C ATOM 873 CD GLU A 61 -4.617 -7.784 -15.970 1.00 0.00 C ATOM 874 OE1 GLU A 61 -5.707 -7.275 -15.635 1.00 0.00 O ATOM 875 OE2 GLU A 61 -4.407 -9.015 -15.968 1.00 0.00 O ATOM 0 H GLU A 61 -4.005 -6.667 -13.174 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.368 -8.469 -14.697 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.119 -5.561 -14.743 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.679 -6.045 -15.615 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.916 -5.988 -16.898 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.867 -7.373 -17.130 1.00 0.00 H new ATOM 882 N TYR A 62 -0.988 -6.451 -12.507 1.00 0.00 N ATOM 883 CA TYR A 62 0.249 -6.155 -11.794 1.00 0.00 C ATOM 884 C TYR A 62 0.862 -7.428 -11.217 1.00 0.00 C ATOM 885 O TYR A 62 2.073 -7.637 -11.291 1.00 0.00 O ATOM 886 CB TYR A 62 -0.012 -5.148 -10.673 1.00 0.00 C ATOM 887 CG TYR A 62 -0.783 -3.927 -11.123 1.00 0.00 C ATOM 888 CD1 TYR A 62 -0.668 -3.449 -12.423 1.00 0.00 C ATOM 889 CD2 TYR A 62 -1.626 -3.253 -10.249 1.00 0.00 C ATOM 890 CE1 TYR A 62 -1.370 -2.334 -12.838 1.00 0.00 C ATOM 891 CE2 TYR A 62 -2.333 -2.138 -10.656 1.00 0.00 C ATOM 892 CZ TYR A 62 -2.201 -1.682 -11.951 1.00 0.00 C ATOM 893 OH TYR A 62 -2.903 -0.572 -12.361 1.00 0.00 O ATOM 0 H TYR A 62 -1.810 -5.968 -12.144 1.00 0.00 H new ATOM 0 HA TYR A 62 0.954 -5.723 -12.504 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.564 -5.642 -9.874 1.00 0.00 H new ATOM 0 HB3 TYR A 62 0.942 -4.830 -10.252 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.019 -3.958 -13.120 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.731 -3.607 -9.234 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.269 -1.975 -13.851 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.985 -1.626 -9.964 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.865 -0.503 -13.338 1.00 0.00 H new ATOM 903 N LYS A 63 0.016 -8.276 -10.642 1.00 0.00 N ATOM 904 CA LYS A 63 0.472 -9.530 -10.053 1.00 0.00 C ATOM 905 C LYS A 63 1.183 -10.392 -11.091 1.00 0.00 C ATOM 906 O LYS A 63 2.154 -11.081 -10.779 1.00 0.00 O ATOM 907 CB LYS A 63 -0.712 -10.298 -9.461 1.00 0.00 C ATOM 908 CG LYS A 63 -1.590 -9.457 -8.551 1.00 0.00 C ATOM 909 CD LYS A 63 -2.221 -10.296 -7.453 1.00 0.00 C ATOM 910 CE LYS A 63 -3.201 -11.312 -8.022 1.00 0.00 C ATOM 911 NZ LYS A 63 -4.449 -10.664 -8.512 1.00 0.00 N ATOM 0 H LYS A 63 -0.989 -8.118 -10.571 1.00 0.00 H new ATOM 0 HA LYS A 63 1.179 -9.294 -9.258 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.320 -10.694 -10.274 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.335 -11.153 -8.899 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.995 -8.660 -8.105 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.373 -8.979 -9.140 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.441 -10.814 -6.895 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.738 -9.645 -6.748 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.728 -11.854 -8.841 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.450 -12.046 -7.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.271 -11.092 -8.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.418 -9.646 -8.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.531 -10.801 -9.540 1.00 0.00 H new ATOM 925 N SER A 64 0.695 -10.347 -12.326 1.00 0.00 N ATOM 926 CA SER A 64 1.283 -11.125 -13.410 1.00 0.00 C ATOM 927 C SER A 64 2.727 -10.702 -13.661 1.00 0.00 C ATOM 928 O SER A 64 3.631 -11.536 -13.704 1.00 0.00 O ATOM 929 CB SER A 64 0.461 -10.961 -14.689 1.00 0.00 C ATOM 930 OG SER A 64 -0.817 -11.557 -14.555 1.00 0.00 O ATOM 0 H SER A 64 -0.107 -9.780 -12.601 1.00 0.00 H new ATOM 0 HA SER A 64 1.276 -12.174 -13.116 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.349 -9.902 -14.919 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.991 -11.415 -15.526 1.00 0.00 H new ATOM 0 HG SER A 64 -1.323 -11.437 -15.386 1.00 0.00 H new ATOM 936 N ALA A 65 2.935 -9.400 -13.826 1.00 0.00 N ATOM 937 CA ALA A 65 4.268 -8.864 -14.071 1.00 0.00 C ATOM 938 C ALA A 65 5.159 -9.025 -12.844 1.00 0.00 C ATOM 939 O ALA A 65 6.282 -9.522 -12.940 1.00 0.00 O ATOM 940 CB ALA A 65 4.183 -7.400 -14.475 1.00 0.00 C ATOM 0 H ALA A 65 2.197 -8.697 -13.794 1.00 0.00 H new ATOM 0 HA ALA A 65 4.715 -9.430 -14.889 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.186 -7.013 -14.655 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.590 -7.307 -15.385 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.712 -6.829 -13.675 1.00 0.00 H new ATOM 946 N LEU A 66 4.652 -8.602 -11.691 1.00 0.00 N ATOM 947 CA LEU A 66 5.402 -8.699 -10.444 1.00 0.00 C ATOM 948 C LEU A 66 5.869 -10.130 -10.199 1.00 0.00 C ATOM 949 O LEU A 66 7.040 -10.370 -9.899 1.00 0.00 O ATOM 950 CB LEU A 66 4.543 -8.223 -9.271 1.00 0.00 C ATOM 951 CG LEU A 66 4.225 -6.728 -9.235 1.00 0.00 C ATOM 952 CD1 LEU A 66 3.791 -6.308 -7.839 1.00 0.00 C ATOM 953 CD2 LEU A 66 5.430 -5.916 -9.687 1.00 0.00 C ATOM 0 H LEU A 66 3.725 -8.189 -11.594 1.00 0.00 H new ATOM 0 HA LEU A 66 6.280 -8.059 -10.527 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.603 -8.774 -9.288 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.051 -8.488 -8.344 1.00 0.00 H new ATOM 0 HG LEU A 66 3.402 -6.534 -9.923 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.569 -5.241 -7.833 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.900 -6.866 -7.552 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.593 -6.516 -7.131 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.186 -4.854 -9.655 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.272 -6.115 -9.024 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.696 -6.197 -10.706 1.00 0.00 H new ATOM 965 N LEU A 67 4.948 -11.078 -10.331 1.00 0.00 N ATOM 966 CA LEU A 67 5.266 -12.487 -10.127 1.00 0.00 C ATOM 967 C LEU A 67 6.179 -13.006 -11.234 1.00 0.00 C ATOM 968 O LEU A 67 7.019 -13.875 -11.003 1.00 0.00 O ATOM 969 CB LEU A 67 3.983 -13.318 -10.078 1.00 0.00 C ATOM 970 CG LEU A 67 3.091 -13.105 -8.854 1.00 0.00 C ATOM 971 CD1 LEU A 67 1.653 -13.487 -9.167 1.00 0.00 C ATOM 972 CD2 LEU A 67 3.612 -13.905 -7.669 1.00 0.00 C ATOM 0 H LEU A 67 3.975 -10.897 -10.578 1.00 0.00 H new ATOM 0 HA LEU A 67 5.790 -12.581 -9.176 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.398 -13.099 -10.971 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.255 -14.372 -10.125 1.00 0.00 H new ATOM 0 HG LEU A 67 3.114 -12.047 -8.591 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.034 -13.329 -8.284 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.282 -12.870 -9.985 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.610 -14.537 -9.456 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.965 -13.741 -6.807 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.620 -14.965 -7.921 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.625 -13.582 -7.429 1.00 0.00 H new ATOM 984 N ASN A 68 6.009 -12.465 -12.436 1.00 0.00 N ATOM 985 CA ASN A 68 6.819 -12.872 -13.578 1.00 0.00 C ATOM 986 C ASN A 68 8.300 -12.905 -13.211 1.00 0.00 C ATOM 987 O ASN A 68 8.978 -13.911 -13.420 1.00 0.00 O ATOM 988 CB ASN A 68 6.595 -11.918 -14.754 1.00 0.00 C ATOM 989 CG ASN A 68 6.769 -12.604 -16.095 1.00 0.00 C ATOM 990 OD1 ASN A 68 7.857 -13.071 -16.430 1.00 0.00 O ATOM 991 ND2 ASN A 68 5.692 -12.667 -16.871 1.00 0.00 N ATOM 0 H ASN A 68 5.318 -11.744 -12.644 1.00 0.00 H new ATOM 0 HA ASN A 68 6.513 -13.877 -13.869 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.591 -11.498 -14.691 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.295 -11.085 -14.681 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.748 -13.116 -17.785 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.810 -12.266 -16.553 1.00 0.00 H new ATOM 998 N GLU A 69 8.793 -11.800 -12.663 1.00 0.00 N ATOM 999 CA GLU A 69 10.193 -11.703 -12.267 1.00 0.00 C ATOM 1000 C GLU A 69 10.474 -12.571 -11.043 1.00 0.00 C ATOM 1001 O GLU A 69 11.327 -13.459 -11.081 1.00 0.00 O ATOM 1002 CB GLU A 69 10.564 -10.249 -11.970 1.00 0.00 C ATOM 1003 CG GLU A 69 11.124 -9.506 -13.171 1.00 0.00 C ATOM 1004 CD GLU A 69 11.241 -8.013 -12.931 1.00 0.00 C ATOM 1005 OE1 GLU A 69 11.001 -7.576 -11.786 1.00 0.00 O ATOM 1006 OE2 GLU A 69 11.572 -7.282 -13.887 1.00 0.00 O ATOM 0 H GLU A 69 8.244 -10.959 -12.483 1.00 0.00 H new ATOM 0 HA GLU A 69 10.803 -12.064 -13.095 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.680 -9.724 -11.609 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.299 -10.228 -11.165 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.107 -9.909 -13.417 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.482 -9.682 -14.034 1.00 0.00 H new ATOM 1013 N CYS A 70 9.751 -12.308 -9.961 1.00 0.00 N ATOM 1014 CA CYS A 70 9.922 -13.063 -8.724 1.00 0.00 C ATOM 1015 C CYS A 70 9.893 -14.564 -8.996 1.00 0.00 C ATOM 1016 O CYS A 70 10.500 -15.349 -8.267 1.00 0.00 O ATOM 1017 CB CYS A 70 8.829 -12.693 -7.721 1.00 0.00 C ATOM 1018 SG CYS A 70 8.523 -13.956 -6.463 1.00 0.00 S ATOM 0 H CYS A 70 9.040 -11.578 -9.914 1.00 0.00 H new ATOM 0 HA CYS A 70 10.894 -12.807 -8.302 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.105 -11.762 -7.226 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.903 -12.503 -8.263 1.00 0.00 H new ATOM 0 HG CYS A 70 9.159 -15.045 -6.778 1.00 0.00 H new ATOM 1024 N HIS A 71 9.182 -14.956 -10.048 1.00 0.00 N ATOM 1025 CA HIS A 71 9.072 -16.363 -10.416 1.00 0.00 C ATOM 1026 C HIS A 71 10.386 -16.877 -10.995 1.00 0.00 C ATOM 1027 O HIS A 71 10.717 -18.056 -10.862 1.00 0.00 O ATOM 1028 CB HIS A 71 7.943 -16.561 -11.427 1.00 0.00 C ATOM 1029 CG HIS A 71 6.600 -16.759 -10.795 1.00 0.00 C ATOM 1030 ND1 HIS A 71 5.579 -17.461 -11.399 1.00 0.00 N ATOM 1031 CD2 HIS A 71 6.113 -16.342 -9.603 1.00 0.00 C ATOM 1032 CE1 HIS A 71 4.522 -17.467 -10.607 1.00 0.00 C ATOM 1033 NE2 HIS A 71 4.819 -16.795 -9.510 1.00 0.00 N ATOM 0 H HIS A 71 8.673 -14.319 -10.661 1.00 0.00 H new ATOM 0 HA HIS A 71 8.845 -16.932 -9.515 1.00 0.00 H new ATOM 0 HB2 HIS A 71 7.901 -15.694 -12.086 1.00 0.00 H new ATOM 0 HB3 HIS A 71 8.173 -17.425 -12.051 1.00 0.00 H new ATOM 0 HD1 HIS A 71 5.632 -17.907 -12.315 1.00 0.00 H new ATOM 0 HD2 HIS A 71 6.643 -15.761 -8.863 1.00 0.00 H new ATOM 0 HE1 HIS A 71 3.575 -17.941 -10.821 1.00 0.00 H new ATOM 1042 N LYS A 72 11.132 -15.986 -11.639 1.00 0.00 N ATOM 1043 CA LYS A 72 12.411 -16.348 -12.239 1.00 0.00 C ATOM 1044 C LYS A 72 13.524 -16.338 -11.195 1.00 0.00 C ATOM 1045 O LYS A 72 14.466 -17.125 -11.274 1.00 0.00 O ATOM 1046 CB LYS A 72 12.755 -15.384 -13.376 1.00 0.00 C ATOM 1047 CG LYS A 72 13.552 -14.172 -12.926 1.00 0.00 C ATOM 1048 CD LYS A 72 13.242 -12.953 -13.778 1.00 0.00 C ATOM 1049 CE LYS A 72 14.166 -12.866 -14.984 1.00 0.00 C ATOM 1050 NZ LYS A 72 15.523 -12.381 -14.608 1.00 0.00 N ATOM 0 H LYS A 72 10.873 -15.007 -11.759 1.00 0.00 H new ATOM 0 HA LYS A 72 12.323 -17.357 -12.641 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.323 -15.920 -14.136 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.832 -15.047 -13.847 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.326 -13.954 -11.882 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.618 -14.395 -12.982 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.206 -12.997 -14.114 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.343 -12.051 -13.175 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.247 -13.848 -15.451 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.733 -12.195 -15.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.086 -12.222 -15.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.439 -11.489 -14.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.994 -13.093 -14.013 1.00 0.00 H new ATOM 1064 N GLN A 73 13.406 -15.444 -10.220 1.00 0.00 N ATOM 1065 CA GLN A 73 14.402 -15.333 -9.161 1.00 0.00 C ATOM 1066 C GLN A 73 13.738 -15.315 -7.788 1.00 0.00 C ATOM 1067 O GLN A 73 14.017 -16.163 -6.941 1.00 0.00 O ATOM 1068 CB GLN A 73 15.241 -14.068 -9.351 1.00 0.00 C ATOM 1069 CG GLN A 73 14.410 -12.812 -9.553 1.00 0.00 C ATOM 1070 CD GLN A 73 15.188 -11.700 -10.230 1.00 0.00 C ATOM 1071 OE1 GLN A 73 15.698 -10.794 -9.570 1.00 0.00 O ATOM 1072 NE2 GLN A 73 15.283 -11.764 -11.552 1.00 0.00 N ATOM 0 H GLN A 73 12.631 -14.786 -10.141 1.00 0.00 H new ATOM 0 HA GLN A 73 15.054 -16.205 -9.218 1.00 0.00 H new ATOM 0 HB2 GLN A 73 15.882 -13.933 -8.480 1.00 0.00 H new ATOM 0 HB3 GLN A 73 15.896 -14.202 -10.212 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.533 -13.054 -10.153 1.00 0.00 H new ATOM 0 HG3 GLN A 73 14.048 -12.461 -8.587 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.844 -12.533 -12.058 1.00 0.00 H new ATOM 0 HE22 GLN A 73 15.795 -11.044 -12.062 1.00 0.00 H new ATOM 1081 N GLY A 74 12.857 -14.343 -7.574 1.00 0.00 N ATOM 1082 CA GLY A 74 12.167 -14.232 -6.302 1.00 0.00 C ATOM 1083 C GLY A 74 12.523 -12.961 -5.558 1.00 0.00 C ATOM 1084 O GLY A 74 11.744 -12.474 -4.739 1.00 0.00 O ATOM 0 H GLY A 74 12.608 -13.630 -8.259 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.091 -14.260 -6.472 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.414 -15.094 -5.682 1.00 0.00 H new ATOM 1088 N GLY A 75 13.705 -12.422 -5.842 1.00 0.00 N ATOM 1089 CA GLY A 75 14.142 -11.205 -5.183 1.00 0.00 C ATOM 1090 C GLY A 75 13.595 -9.957 -5.847 1.00 0.00 C ATOM 1091 O GLY A 75 14.275 -9.326 -6.657 1.00 0.00 O ATOM 0 H GLY A 75 14.367 -12.806 -6.516 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.825 -11.226 -4.140 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.231 -11.166 -5.185 1.00 0.00 H new ATOM 1095 N LEU A 76 12.362 -9.600 -5.506 1.00 0.00 N ATOM 1096 CA LEU A 76 11.722 -8.420 -6.076 1.00 0.00 C ATOM 1097 C LEU A 76 11.344 -7.424 -4.984 1.00 0.00 C ATOM 1098 O LEU A 76 10.521 -7.720 -4.118 1.00 0.00 O ATOM 1099 CB LEU A 76 10.476 -8.823 -6.867 1.00 0.00 C ATOM 1100 CG LEU A 76 10.152 -7.965 -8.091 1.00 0.00 C ATOM 1101 CD1 LEU A 76 11.092 -8.297 -9.240 1.00 0.00 C ATOM 1102 CD2 LEU A 76 8.703 -8.162 -8.511 1.00 0.00 C ATOM 0 H LEU A 76 11.785 -10.111 -4.837 1.00 0.00 H new ATOM 0 HA LEU A 76 12.433 -7.941 -6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.596 -9.856 -7.194 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.619 -8.799 -6.194 1.00 0.00 H new ATOM 0 HG LEU A 76 10.293 -6.918 -7.825 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.846 -7.677 -10.102 1.00 0.00 H new ATOM 0 HD12 LEU A 76 12.121 -8.104 -8.936 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.983 -9.348 -9.507 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.490 -7.544 -9.383 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.535 -9.210 -8.759 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.044 -7.873 -7.692 1.00 0.00 H new ATOM 1114 N ARG A 77 11.950 -6.242 -5.032 1.00 0.00 N ATOM 1115 CA ARG A 77 11.676 -5.202 -4.048 1.00 0.00 C ATOM 1116 C ARG A 77 10.836 -4.084 -4.658 1.00 0.00 C ATOM 1117 O ARG A 77 10.714 -3.979 -5.879 1.00 0.00 O ATOM 1118 CB ARG A 77 12.986 -4.631 -3.501 1.00 0.00 C ATOM 1119 CG ARG A 77 13.836 -3.940 -4.555 1.00 0.00 C ATOM 1120 CD ARG A 77 14.792 -2.937 -3.929 1.00 0.00 C ATOM 1121 NE ARG A 77 15.979 -3.584 -3.376 1.00 0.00 N ATOM 1122 CZ ARG A 77 17.052 -3.891 -4.096 1.00 0.00 C ATOM 1123 NH1 ARG A 77 17.088 -3.610 -5.392 1.00 0.00 N ATOM 1124 NH2 ARG A 77 18.093 -4.478 -3.521 1.00 0.00 N ATOM 0 H ARG A 77 12.634 -5.981 -5.742 1.00 0.00 H new ATOM 0 HA ARG A 77 11.113 -5.650 -3.229 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.759 -3.920 -2.706 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.565 -5.438 -3.051 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.403 -4.685 -5.113 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.189 -3.431 -5.269 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.094 -2.207 -4.680 1.00 0.00 H new ATOM 0 HD3 ARG A 77 14.277 -2.389 -3.140 1.00 0.00 H new ATOM 0 HE ARG A 77 15.984 -3.813 -2.382 1.00 0.00 H new ATOM 0 HH11 ARG A 77 16.290 -3.157 -5.838 1.00 0.00 H new ATOM 0 HH12 ARG A 77 17.913 -3.847 -5.942 1.00 0.00 H new ATOM 0 HH21 ARG A 77 18.070 -4.694 -2.524 1.00 0.00 H new ATOM 0 HH22 ARG A 77 18.916 -4.713 -4.075 1.00 0.00 H new ATOM 1138 N LEU A 78 10.258 -3.250 -3.800 1.00 0.00 N ATOM 1139 CA LEU A 78 9.429 -2.139 -4.253 1.00 0.00 C ATOM 1140 C LEU A 78 9.964 -1.556 -5.557 1.00 0.00 C ATOM 1141 O LEU A 78 9.336 -1.679 -6.608 1.00 0.00 O ATOM 1142 CB LEU A 78 9.369 -1.050 -3.181 1.00 0.00 C ATOM 1143 CG LEU A 78 8.568 0.202 -3.539 1.00 0.00 C ATOM 1144 CD1 LEU A 78 7.096 -0.138 -3.713 1.00 0.00 C ATOM 1145 CD2 LEU A 78 8.748 1.273 -2.473 1.00 0.00 C ATOM 0 H LEU A 78 10.348 -3.322 -2.787 1.00 0.00 H new ATOM 0 HA LEU A 78 8.423 -2.519 -4.432 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.943 -1.483 -2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.388 -0.748 -2.941 1.00 0.00 H new ATOM 0 HG LEU A 78 8.944 0.593 -4.485 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.542 0.765 -3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.984 -0.870 -4.513 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.706 -0.553 -2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.171 2.157 -2.744 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.400 0.893 -1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.803 1.537 -2.397 1.00 0.00 H new ATOM 1157 N ALA A 79 11.130 -0.923 -5.481 1.00 0.00 N ATOM 1158 CA ALA A 79 11.753 -0.324 -6.655 1.00 0.00 C ATOM 1159 C ALA A 79 11.529 -1.185 -7.894 1.00 0.00 C ATOM 1160 O ALA A 79 11.184 -0.676 -8.960 1.00 0.00 O ATOM 1161 CB ALA A 79 13.241 -0.118 -6.416 1.00 0.00 C ATOM 0 H ALA A 79 11.663 -0.812 -4.618 1.00 0.00 H new ATOM 0 HA ALA A 79 11.287 0.646 -6.828 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.693 0.330 -7.301 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.384 0.543 -5.561 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.714 -1.079 -6.214 1.00 0.00 H new ATOM 1167 N GLN A 80 11.728 -2.491 -7.745 1.00 0.00 N ATOM 1168 CA GLN A 80 11.548 -3.422 -8.853 1.00 0.00 C ATOM 1169 C GLN A 80 10.081 -3.509 -9.259 1.00 0.00 C ATOM 1170 O GLN A 80 9.751 -3.468 -10.444 1.00 0.00 O ATOM 1171 CB GLN A 80 12.067 -4.809 -8.471 1.00 0.00 C ATOM 1172 CG GLN A 80 13.460 -4.791 -7.861 1.00 0.00 C ATOM 1173 CD GLN A 80 14.240 -6.058 -8.152 1.00 0.00 C ATOM 1174 OE1 GLN A 80 14.159 -6.613 -9.247 1.00 0.00 O ATOM 1175 NE2 GLN A 80 15.003 -6.522 -7.169 1.00 0.00 N ATOM 0 H GLN A 80 12.014 -2.928 -6.869 1.00 0.00 H new ATOM 0 HA GLN A 80 12.119 -3.050 -9.703 1.00 0.00 H new ATOM 0 HB2 GLN A 80 11.375 -5.264 -7.762 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.076 -5.441 -9.359 1.00 0.00 H new ATOM 0 HG2 GLN A 80 14.011 -3.933 -8.247 1.00 0.00 H new ATOM 0 HG3 GLN A 80 13.379 -4.659 -6.782 1.00 0.00 H new ATOM 0 HE21 GLN A 80 15.040 -6.030 -6.277 1.00 0.00 H new ATOM 0 HE22 GLN A 80 15.552 -7.371 -7.307 1.00 0.00 H new ATOM 1184 N ALA A 81 9.204 -3.629 -8.267 1.00 0.00 N ATOM 1185 CA ALA A 81 7.772 -3.720 -8.521 1.00 0.00 C ATOM 1186 C ALA A 81 7.253 -2.458 -9.201 1.00 0.00 C ATOM 1187 O ALA A 81 6.832 -2.493 -10.358 1.00 0.00 O ATOM 1188 CB ALA A 81 7.020 -3.969 -7.222 1.00 0.00 C ATOM 0 H ALA A 81 9.461 -3.665 -7.281 1.00 0.00 H new ATOM 0 HA ALA A 81 7.601 -4.560 -9.194 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.951 -4.035 -7.427 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.362 -4.903 -6.777 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.207 -3.148 -6.530 1.00 0.00 H new ATOM 1194 N ARG A 82 7.286 -1.345 -8.476 1.00 0.00 N ATOM 1195 CA ARG A 82 6.817 -0.071 -9.010 1.00 0.00 C ATOM 1196 C ARG A 82 7.296 0.126 -10.445 1.00 0.00 C ATOM 1197 O ARG A 82 6.684 0.862 -11.218 1.00 0.00 O ATOM 1198 CB ARG A 82 7.306 1.084 -8.134 1.00 0.00 C ATOM 1199 CG ARG A 82 8.782 1.401 -8.313 1.00 0.00 C ATOM 1200 CD ARG A 82 9.077 2.864 -8.019 1.00 0.00 C ATOM 1201 NE ARG A 82 10.320 3.307 -8.643 1.00 0.00 N ATOM 1202 CZ ARG A 82 10.890 4.481 -8.393 1.00 0.00 C ATOM 1203 NH1 ARG A 82 10.331 5.324 -7.536 1.00 0.00 N ATOM 1204 NH2 ARG A 82 12.022 4.813 -9.001 1.00 0.00 N ATOM 0 H ARG A 82 7.632 -1.299 -7.518 1.00 0.00 H new ATOM 0 HA ARG A 82 5.727 -0.083 -9.008 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.721 1.975 -8.363 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.120 0.840 -7.088 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.374 0.769 -7.651 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.085 1.165 -9.333 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.252 3.479 -8.378 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.140 3.012 -6.941 1.00 0.00 H new ATOM 0 HE ARG A 82 10.776 2.681 -9.307 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.461 5.072 -7.067 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.771 6.225 -7.346 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.455 4.167 -9.661 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.459 5.714 -8.809 1.00 0.00 H new ATOM 1218 N ALA A 83 8.394 -0.537 -10.793 1.00 0.00 N ATOM 1219 CA ALA A 83 8.954 -0.435 -12.135 1.00 0.00 C ATOM 1220 C ALA A 83 8.140 -1.252 -13.133 1.00 0.00 C ATOM 1221 O ALA A 83 7.677 -0.729 -14.148 1.00 0.00 O ATOM 1222 CB ALA A 83 10.406 -0.891 -12.137 1.00 0.00 C ATOM 0 H ALA A 83 8.913 -1.150 -10.165 1.00 0.00 H new ATOM 0 HA ALA A 83 8.912 0.610 -12.441 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.812 -0.810 -13.145 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.986 -0.263 -11.461 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.462 -1.928 -11.806 1.00 0.00 H new ATOM 1228 N LEU A 84 7.969 -2.536 -12.839 1.00 0.00 N ATOM 1229 CA LEU A 84 7.210 -3.426 -13.711 1.00 0.00 C ATOM 1230 C LEU A 84 5.859 -2.815 -14.070 1.00 0.00 C ATOM 1231 O LEU A 84 5.294 -3.111 -15.123 1.00 0.00 O ATOM 1232 CB LEU A 84 7.006 -4.783 -13.035 1.00 0.00 C ATOM 1233 CG LEU A 84 8.278 -5.552 -12.675 1.00 0.00 C ATOM 1234 CD1 LEU A 84 7.954 -6.717 -11.754 1.00 0.00 C ATOM 1235 CD2 LEU A 84 8.978 -6.043 -13.934 1.00 0.00 C ATOM 0 H LEU A 84 8.345 -2.984 -12.004 1.00 0.00 H new ATOM 0 HA LEU A 84 7.780 -3.567 -14.630 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.428 -4.629 -12.124 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.402 -5.407 -13.694 1.00 0.00 H new ATOM 0 HG LEU A 84 8.952 -4.876 -12.149 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.871 -7.253 -11.508 1.00 0.00 H new ATOM 0 HD12 LEU A 84 7.497 -6.341 -10.839 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.261 -7.394 -12.254 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.881 -6.588 -13.659 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.310 -6.703 -14.488 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.245 -5.190 -14.558 1.00 0.00 H new ATOM 1247 N ILE A 85 5.349 -1.962 -13.189 1.00 0.00 N ATOM 1248 CA ILE A 85 4.066 -1.307 -13.415 1.00 0.00 C ATOM 1249 C ILE A 85 4.257 0.142 -13.848 1.00 0.00 C ATOM 1250 O ILE A 85 3.327 0.784 -14.337 1.00 0.00 O ATOM 1251 CB ILE A 85 3.186 -1.342 -12.152 1.00 0.00 C ATOM 1252 CG1 ILE A 85 4.035 -1.082 -10.905 1.00 0.00 C ATOM 1253 CG2 ILE A 85 2.469 -2.679 -12.042 1.00 0.00 C ATOM 1254 CD1 ILE A 85 3.231 -1.039 -9.625 1.00 0.00 C ATOM 0 H ILE A 85 5.804 -1.708 -12.312 1.00 0.00 H new ATOM 0 HA ILE A 85 3.566 -1.859 -14.211 1.00 0.00 H new ATOM 0 HB ILE A 85 2.435 -0.555 -12.228 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.793 -1.861 -10.822 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.562 -0.136 -11.025 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.851 -2.688 -11.144 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.838 -2.827 -12.918 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.204 -3.482 -11.985 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.897 -0.851 -8.783 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.491 -0.241 -9.687 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.725 -1.994 -9.481 1.00 0.00 H new ATOM 1266 N LYS A 86 5.471 0.653 -13.668 1.00 0.00 N ATOM 1267 CA LYS A 86 5.787 2.026 -14.043 1.00 0.00 C ATOM 1268 C LYS A 86 4.717 2.988 -13.538 1.00 0.00 C ATOM 1269 O LYS A 86 4.255 3.860 -14.275 1.00 0.00 O ATOM 1270 CB LYS A 86 5.919 2.144 -15.563 1.00 0.00 C ATOM 1271 CG LYS A 86 6.973 1.225 -16.155 1.00 0.00 C ATOM 1272 CD LYS A 86 7.571 1.808 -17.425 1.00 0.00 C ATOM 1273 CE LYS A 86 6.658 1.591 -18.622 1.00 0.00 C ATOM 1274 NZ LYS A 86 5.655 2.682 -18.760 1.00 0.00 N ATOM 0 H LYS A 86 6.252 0.136 -13.264 1.00 0.00 H new ATOM 0 HA LYS A 86 6.737 2.293 -13.581 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.956 1.921 -16.021 1.00 0.00 H new ATOM 0 HB3 LYS A 86 6.163 3.175 -15.819 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.763 1.057 -15.423 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.529 0.254 -16.373 1.00 0.00 H new ATOM 0 HD2 LYS A 86 7.747 2.875 -17.289 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.540 1.347 -17.617 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.258 1.532 -19.530 1.00 0.00 H new ATOM 0 HE3 LYS A 86 6.143 0.636 -18.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.697 2.276 -18.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.757 3.349 -17.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.809 3.184 -19.658 1.00 0.00 H new ATOM 1288 N ILE A 87 4.328 2.825 -12.278 1.00 0.00 N ATOM 1289 CA ILE A 87 3.314 3.681 -11.675 1.00 0.00 C ATOM 1290 C ILE A 87 3.804 4.269 -10.356 1.00 0.00 C ATOM 1291 O ILE A 87 4.709 3.727 -9.721 1.00 0.00 O ATOM 1292 CB ILE A 87 2.003 2.912 -11.426 1.00 0.00 C ATOM 1293 CG1 ILE A 87 2.204 1.860 -10.333 1.00 0.00 C ATOM 1294 CG2 ILE A 87 1.518 2.261 -12.712 1.00 0.00 C ATOM 1295 CD1 ILE A 87 0.931 1.501 -9.599 1.00 0.00 C ATOM 0 H ILE A 87 4.700 2.108 -11.655 1.00 0.00 H new ATOM 0 HA ILE A 87 3.123 4.489 -12.381 1.00 0.00 H new ATOM 0 HB ILE A 87 1.243 3.618 -11.090 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.623 0.958 -10.780 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.936 2.229 -9.615 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.591 1.721 -12.519 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.341 3.029 -13.465 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.274 1.565 -13.075 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.148 0.750 -8.839 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.522 2.392 -9.122 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.204 1.102 -10.306 1.00 0.00 H new ATOM 1307 N ASP A 88 3.199 5.380 -9.949 1.00 0.00 N ATOM 1308 CA ASP A 88 3.572 6.041 -8.704 1.00 0.00 C ATOM 1309 C ASP A 88 3.823 5.018 -7.600 1.00 0.00 C ATOM 1310 O ASP A 88 2.904 4.329 -7.157 1.00 0.00 O ATOM 1311 CB ASP A 88 2.477 7.017 -8.272 1.00 0.00 C ATOM 1312 CG ASP A 88 3.030 8.211 -7.519 1.00 0.00 C ATOM 1313 OD1 ASP A 88 3.200 8.108 -6.286 1.00 0.00 O ATOM 1314 OD2 ASP A 88 3.293 9.248 -8.162 1.00 0.00 O ATOM 0 H ASP A 88 2.449 5.841 -10.463 1.00 0.00 H new ATOM 0 HA ASP A 88 4.494 6.595 -8.878 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.936 7.365 -9.152 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.757 6.495 -7.641 1.00 0.00 H new ATOM 1319 N VAL A 89 5.074 4.923 -7.161 1.00 0.00 N ATOM 1320 CA VAL A 89 5.446 3.985 -6.109 1.00 0.00 C ATOM 1321 C VAL A 89 4.421 3.989 -4.981 1.00 0.00 C ATOM 1322 O VAL A 89 4.139 2.953 -4.381 1.00 0.00 O ATOM 1323 CB VAL A 89 6.834 4.314 -5.528 1.00 0.00 C ATOM 1324 CG1 VAL A 89 6.875 5.749 -5.023 1.00 0.00 C ATOM 1325 CG2 VAL A 89 7.191 3.339 -4.417 1.00 0.00 C ATOM 0 H VAL A 89 5.847 5.485 -7.518 1.00 0.00 H new ATOM 0 HA VAL A 89 5.477 2.995 -6.564 1.00 0.00 H new ATOM 0 HB VAL A 89 7.574 4.212 -6.321 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.863 5.963 -4.616 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.666 6.431 -5.847 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.125 5.882 -4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.175 3.586 -4.018 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.449 3.407 -3.621 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.205 2.324 -4.814 1.00 0.00 H new ATOM 1335 N ASN A 90 3.866 5.163 -4.697 1.00 0.00 N ATOM 1336 CA ASN A 90 2.872 5.303 -3.640 1.00 0.00 C ATOM 1337 C ASN A 90 1.761 4.269 -3.798 1.00 0.00 C ATOM 1338 O ASN A 90 1.285 3.698 -2.816 1.00 0.00 O ATOM 1339 CB ASN A 90 2.277 6.713 -3.654 1.00 0.00 C ATOM 1340 CG ASN A 90 3.156 7.718 -2.935 1.00 0.00 C ATOM 1341 OD1 ASN A 90 4.024 7.347 -2.144 1.00 0.00 O ATOM 1342 ND2 ASN A 90 2.934 8.999 -3.207 1.00 0.00 N ATOM 0 H ASN A 90 4.088 6.031 -5.184 1.00 0.00 H new ATOM 0 HA ASN A 90 3.368 5.135 -2.684 1.00 0.00 H new ATOM 0 HB2 ASN A 90 2.132 7.033 -4.686 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.293 6.694 -3.185 1.00 0.00 H new ATOM 0 HD21 ASN A 90 3.494 9.721 -2.753 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.204 9.261 -3.869 1.00 0.00 H new ATOM 1349 N LYS A 91 1.353 4.033 -5.040 1.00 0.00 N ATOM 1350 CA LYS A 91 0.300 3.066 -5.329 1.00 0.00 C ATOM 1351 C LYS A 91 0.728 1.658 -4.927 1.00 0.00 C ATOM 1352 O LYS A 91 0.203 1.086 -3.972 1.00 0.00 O ATOM 1353 CB LYS A 91 -0.056 3.098 -6.817 1.00 0.00 C ATOM 1354 CG LYS A 91 -0.404 4.484 -7.329 1.00 0.00 C ATOM 1355 CD LYS A 91 -1.405 4.422 -8.471 1.00 0.00 C ATOM 1356 CE LYS A 91 -2.837 4.471 -7.960 1.00 0.00 C ATOM 1357 NZ LYS A 91 -3.822 4.533 -9.076 1.00 0.00 N ATOM 0 H LYS A 91 1.736 4.498 -5.863 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.579 3.339 -4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.784 2.708 -7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.900 2.432 -6.994 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.816 5.081 -6.515 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.503 4.987 -7.666 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.232 5.254 -9.153 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.252 3.506 -9.041 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.035 3.590 -7.349 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.963 5.341 -7.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.786 4.565 -8.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.649 5.387 -9.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.719 3.690 -9.677 1.00 0.00 H new ATOM 1371 N THR A 92 1.687 1.104 -5.663 1.00 0.00 N ATOM 1372 CA THR A 92 2.187 -0.236 -5.383 1.00 0.00 C ATOM 1373 C THR A 92 2.532 -0.397 -3.907 1.00 0.00 C ATOM 1374 O THR A 92 2.242 -1.429 -3.301 1.00 0.00 O ATOM 1375 CB THR A 92 3.433 -0.559 -6.229 1.00 0.00 C ATOM 1376 OG1 THR A 92 4.020 -1.788 -5.787 1.00 0.00 O ATOM 1377 CG2 THR A 92 4.457 0.561 -6.133 1.00 0.00 C ATOM 0 H THR A 92 2.133 1.563 -6.457 1.00 0.00 H new ATOM 0 HA THR A 92 1.390 -0.932 -5.644 1.00 0.00 H new ATOM 0 HB THR A 92 3.123 -0.658 -7.269 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.811 -1.987 -6.331 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.328 0.310 -6.738 1.00 0.00 H new ATOM 0 HG22 THR A 92 4.016 1.489 -6.497 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.762 0.687 -5.094 1.00 0.00 H new ATOM 1385 N ARG A 93 3.153 0.628 -3.334 1.00 0.00 N ATOM 1386 CA ARG A 93 3.539 0.600 -1.929 1.00 0.00 C ATOM 1387 C ARG A 93 2.514 -0.169 -1.099 1.00 0.00 C ATOM 1388 O ARG A 93 2.861 -0.832 -0.122 1.00 0.00 O ATOM 1389 CB ARG A 93 3.684 2.023 -1.388 1.00 0.00 C ATOM 1390 CG ARG A 93 5.093 2.580 -1.509 1.00 0.00 C ATOM 1391 CD ARG A 93 5.399 3.569 -0.395 1.00 0.00 C ATOM 1392 NE ARG A 93 6.810 3.944 -0.368 1.00 0.00 N ATOM 1393 CZ ARG A 93 7.259 5.079 0.156 1.00 0.00 C ATOM 1394 NH1 ARG A 93 6.412 5.946 0.694 1.00 0.00 N ATOM 1395 NH2 ARG A 93 8.558 5.349 0.143 1.00 0.00 N ATOM 0 H ARG A 93 3.400 1.489 -3.822 1.00 0.00 H new ATOM 0 HA ARG A 93 4.500 0.091 -1.853 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.996 2.678 -1.923 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.386 2.036 -0.340 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.813 1.762 -1.478 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.210 3.071 -2.475 1.00 0.00 H new ATOM 0 HD2 ARG A 93 4.789 4.463 -0.526 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.122 3.132 0.564 1.00 0.00 H new ATOM 0 HE ARG A 93 7.488 3.299 -0.774 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.413 5.742 0.706 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.760 6.817 1.096 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.213 4.685 -0.270 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.902 6.221 0.546 1.00 0.00 H new ATOM 1409 N LYS A 94 1.249 -0.075 -1.496 1.00 0.00 N ATOM 1410 CA LYS A 94 0.173 -0.761 -0.791 1.00 0.00 C ATOM 1411 C LYS A 94 0.035 -2.200 -1.277 1.00 0.00 C ATOM 1412 O LYS A 94 -0.129 -3.122 -0.477 1.00 0.00 O ATOM 1413 CB LYS A 94 -1.149 -0.016 -0.988 1.00 0.00 C ATOM 1414 CG LYS A 94 -1.063 1.469 -0.680 1.00 0.00 C ATOM 1415 CD LYS A 94 -1.361 1.753 0.783 1.00 0.00 C ATOM 1416 CE LYS A 94 -1.450 3.247 1.053 1.00 0.00 C ATOM 1417 NZ LYS A 94 -2.605 3.871 0.349 1.00 0.00 N ATOM 0 H LYS A 94 0.944 0.470 -2.303 1.00 0.00 H new ATOM 0 HA LYS A 94 0.420 -0.777 0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.479 -0.146 -2.019 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.909 -0.467 -0.350 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.067 1.836 -0.927 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -1.768 2.013 -1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.299 1.275 1.064 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.581 1.315 1.406 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.544 3.417 2.126 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.526 3.729 0.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.818 4.793 0.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.368 4.006 -0.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.436 3.251 0.428 1.00 0.00 H new ATOM 1431 N ILE A 95 0.104 -2.386 -2.590 1.00 0.00 N ATOM 1432 CA ILE A 95 -0.010 -3.713 -3.181 1.00 0.00 C ATOM 1433 C ILE A 95 1.177 -4.590 -2.796 1.00 0.00 C ATOM 1434 O ILE A 95 1.021 -5.589 -2.094 1.00 0.00 O ATOM 1435 CB ILE A 95 -0.103 -3.640 -4.717 1.00 0.00 C ATOM 1436 CG1 ILE A 95 -1.206 -2.666 -5.137 1.00 0.00 C ATOM 1437 CG2 ILE A 95 -0.361 -5.022 -5.298 1.00 0.00 C ATOM 1438 CD1 ILE A 95 -1.103 -2.222 -6.579 1.00 0.00 C ATOM 0 H ILE A 95 0.238 -1.634 -3.266 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.927 -4.154 -2.790 1.00 0.00 H new ATOM 0 HB ILE A 95 0.847 -3.274 -5.107 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.176 -3.138 -4.979 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.170 -1.788 -4.492 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.424 -4.954 -6.384 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.455 -5.690 -5.023 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -1.299 -5.413 -4.904 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.917 -1.533 -6.807 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.148 -1.721 -6.738 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.170 -3.091 -7.233 1.00 0.00 H new ATOM 1450 N TYR A 96 2.362 -4.209 -3.259 1.00 0.00 N ATOM 1451 CA TYR A 96 3.576 -4.961 -2.964 1.00 0.00 C ATOM 1452 C TYR A 96 3.513 -5.569 -1.567 1.00 0.00 C ATOM 1453 O TYR A 96 3.537 -6.790 -1.408 1.00 0.00 O ATOM 1454 CB TYR A 96 4.803 -4.056 -3.084 1.00 0.00 C ATOM 1455 CG TYR A 96 6.101 -4.744 -2.726 1.00 0.00 C ATOM 1456 CD1 TYR A 96 6.651 -5.710 -3.560 1.00 0.00 C ATOM 1457 CD2 TYR A 96 6.776 -4.428 -1.554 1.00 0.00 C ATOM 1458 CE1 TYR A 96 7.836 -6.342 -3.236 1.00 0.00 C ATOM 1459 CE2 TYR A 96 7.963 -5.054 -1.223 1.00 0.00 C ATOM 1460 CZ TYR A 96 8.488 -6.011 -2.066 1.00 0.00 C ATOM 1461 OH TYR A 96 9.669 -6.637 -1.741 1.00 0.00 O ATOM 0 H TYR A 96 2.508 -3.384 -3.840 1.00 0.00 H new ATOM 0 HA TYR A 96 3.658 -5.770 -3.690 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.870 -3.682 -4.106 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.670 -3.190 -2.436 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.144 -5.971 -4.477 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.367 -3.681 -0.890 1.00 0.00 H new ATOM 0 HE1 TYR A 96 8.250 -7.091 -3.895 1.00 0.00 H new ATOM 0 HE2 TYR A 96 8.477 -4.795 -0.309 1.00 0.00 H new ATOM 0 HH TYR A 96 9.967 -7.186 -2.496 1.00 0.00 H new ATOM 1471 N ASP A 97 3.433 -4.709 -0.558 1.00 0.00 N ATOM 1472 CA ASP A 97 3.365 -5.161 0.828 1.00 0.00 C ATOM 1473 C ASP A 97 2.411 -6.342 0.968 1.00 0.00 C ATOM 1474 O ASP A 97 2.768 -7.378 1.530 1.00 0.00 O ATOM 1475 CB ASP A 97 2.917 -4.016 1.738 1.00 0.00 C ATOM 1476 CG ASP A 97 3.321 -4.233 3.183 1.00 0.00 C ATOM 1477 OD1 ASP A 97 4.480 -4.635 3.421 1.00 0.00 O ATOM 1478 OD2 ASP A 97 2.480 -4.000 4.075 1.00 0.00 O ATOM 0 H ASP A 97 3.414 -3.696 -0.673 1.00 0.00 H new ATOM 0 HA ASP A 97 4.361 -5.485 1.128 1.00 0.00 H new ATOM 0 HB2 ASP A 97 3.348 -3.081 1.380 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.834 -3.911 1.678 1.00 0.00 H new ATOM 1483 N PHE A 98 1.196 -6.179 0.455 1.00 0.00 N ATOM 1484 CA PHE A 98 0.189 -7.232 0.526 1.00 0.00 C ATOM 1485 C PHE A 98 0.740 -8.549 -0.014 1.00 0.00 C ATOM 1486 O PHE A 98 0.767 -9.559 0.690 1.00 0.00 O ATOM 1487 CB PHE A 98 -1.058 -6.827 -0.262 1.00 0.00 C ATOM 1488 CG PHE A 98 -2.091 -7.914 -0.349 1.00 0.00 C ATOM 1489 CD1 PHE A 98 -2.854 -8.254 0.757 1.00 0.00 C ATOM 1490 CD2 PHE A 98 -2.300 -8.597 -1.537 1.00 0.00 C ATOM 1491 CE1 PHE A 98 -3.805 -9.253 0.680 1.00 0.00 C ATOM 1492 CE2 PHE A 98 -3.250 -9.597 -1.620 1.00 0.00 C ATOM 1493 CZ PHE A 98 -4.003 -9.926 -0.509 1.00 0.00 C ATOM 0 H PHE A 98 0.885 -5.328 -0.014 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.080 -7.373 1.573 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.504 -5.949 0.205 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.763 -6.536 -1.270 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.703 -7.732 1.690 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.713 -8.345 -2.408 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.393 -9.507 1.549 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.404 -10.121 -2.552 1.00 0.00 H new ATOM 0 HZ PHE A 98 -4.745 -10.708 -0.571 1.00 0.00 H new ATOM 1503 N LEU A 99 1.178 -8.530 -1.268 1.00 0.00 N ATOM 1504 CA LEU A 99 1.729 -9.722 -1.904 1.00 0.00 C ATOM 1505 C LEU A 99 2.855 -10.316 -1.065 1.00 0.00 C ATOM 1506 O LEU A 99 2.966 -11.535 -0.931 1.00 0.00 O ATOM 1507 CB LEU A 99 2.244 -9.384 -3.304 1.00 0.00 C ATOM 1508 CG LEU A 99 1.206 -8.848 -4.291 1.00 0.00 C ATOM 1509 CD1 LEU A 99 1.877 -8.400 -5.580 1.00 0.00 C ATOM 1510 CD2 LEU A 99 0.148 -9.904 -4.577 1.00 0.00 C ATOM 0 H LEU A 99 1.162 -7.703 -1.864 1.00 0.00 H new ATOM 0 HA LEU A 99 0.933 -10.462 -1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.040 -8.645 -3.208 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.692 -10.281 -3.731 1.00 0.00 H new ATOM 0 HG LEU A 99 0.716 -7.984 -3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.123 -8.022 -6.270 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.596 -7.611 -5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.393 -9.246 -6.034 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.583 -9.506 -5.281 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.622 -10.787 -5.006 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.354 -10.177 -3.649 1.00 0.00 H new ATOM 1522 N ILE A 100 3.687 -9.447 -0.500 1.00 0.00 N ATOM 1523 CA ILE A 100 4.802 -9.886 0.329 1.00 0.00 C ATOM 1524 C ILE A 100 4.317 -10.737 1.498 1.00 0.00 C ATOM 1525 O ILE A 100 4.847 -11.818 1.754 1.00 0.00 O ATOM 1526 CB ILE A 100 5.602 -8.690 0.878 1.00 0.00 C ATOM 1527 CG1 ILE A 100 6.272 -7.928 -0.268 1.00 0.00 C ATOM 1528 CG2 ILE A 100 6.639 -9.163 1.885 1.00 0.00 C ATOM 1529 CD1 ILE A 100 7.432 -8.673 -0.891 1.00 0.00 C ATOM 0 H ILE A 100 3.610 -8.435 -0.602 1.00 0.00 H new ATOM 0 HA ILE A 100 5.452 -10.485 -0.309 1.00 0.00 H new ATOM 0 HB ILE A 100 4.914 -8.014 1.386 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.529 -7.719 -1.038 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.626 -6.966 0.103 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.196 -8.306 2.264 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.139 -9.666 2.713 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.326 -9.857 1.401 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.859 -8.074 -1.696 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.194 -8.859 -0.134 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.080 -9.623 -1.293 1.00 0.00 H new ATOM 1541 N ARG A 101 3.304 -10.243 2.202 1.00 0.00 N ATOM 1542 CA ARG A 101 2.746 -10.958 3.343 1.00 0.00 C ATOM 1543 C ARG A 101 1.928 -12.162 2.884 1.00 0.00 C ATOM 1544 O ARG A 101 1.897 -13.194 3.552 1.00 0.00 O ATOM 1545 CB ARG A 101 1.871 -10.023 4.180 1.00 0.00 C ATOM 1546 CG ARG A 101 0.640 -9.519 3.443 1.00 0.00 C ATOM 1547 CD ARG A 101 -0.390 -8.948 4.405 1.00 0.00 C ATOM 1548 NE ARG A 101 -0.171 -7.526 4.660 1.00 0.00 N ATOM 1549 CZ ARG A 101 -0.824 -6.837 5.589 1.00 0.00 C ATOM 1550 NH1 ARG A 101 -1.732 -7.435 6.347 1.00 0.00 N ATOM 1551 NH2 ARG A 101 -0.569 -5.546 5.761 1.00 0.00 N ATOM 0 H ARG A 101 2.853 -9.350 2.002 1.00 0.00 H new ATOM 0 HA ARG A 101 3.574 -11.315 3.955 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.555 -10.546 5.083 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.468 -9.169 4.499 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.933 -8.753 2.725 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.195 -10.336 2.874 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.389 -9.093 3.994 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.350 -9.496 5.347 1.00 0.00 H new ATOM 0 HE ARG A 101 0.521 -7.036 4.094 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -1.931 -8.427 6.218 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -2.232 -6.903 7.060 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.129 -5.082 5.180 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -1.071 -5.018 6.475 1.00 0.00 H new ATOM 1565 N GLU A 102 1.268 -12.020 1.738 1.00 0.00 N ATOM 1566 CA GLU A 102 0.449 -13.096 1.191 1.00 0.00 C ATOM 1567 C GLU A 102 1.307 -14.307 0.839 1.00 0.00 C ATOM 1568 O GLU A 102 0.813 -15.432 0.767 1.00 0.00 O ATOM 1569 CB GLU A 102 -0.303 -12.612 -0.050 1.00 0.00 C ATOM 1570 CG GLU A 102 -1.477 -11.701 0.266 1.00 0.00 C ATOM 1571 CD GLU A 102 -2.412 -12.292 1.304 1.00 0.00 C ATOM 1572 OE1 GLU A 102 -2.773 -13.480 1.168 1.00 0.00 O ATOM 1573 OE2 GLU A 102 -2.782 -11.567 2.251 1.00 0.00 O ATOM 0 H GLU A 102 1.284 -11.172 1.171 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.273 -13.393 1.952 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.392 -12.082 -0.702 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.665 -13.477 -0.606 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.102 -10.742 0.624 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.035 -11.503 -0.649 1.00 0.00 H new ATOM 1580 N GLY A 103 2.597 -14.069 0.620 1.00 0.00 N ATOM 1581 CA GLY A 103 3.504 -15.149 0.278 1.00 0.00 C ATOM 1582 C GLY A 103 3.610 -15.364 -1.219 1.00 0.00 C ATOM 1583 O GLY A 103 3.809 -16.489 -1.679 1.00 0.00 O ATOM 0 H GLY A 103 3.030 -13.147 0.673 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.493 -14.931 0.682 1.00 0.00 H new ATOM 0 HA3 GLY A 103 3.163 -16.070 0.751 1.00 0.00 H new ATOM 1587 N TYR A 104 3.476 -14.285 -1.981 1.00 0.00 N ATOM 1588 CA TYR A 104 3.554 -14.361 -3.435 1.00 0.00 C ATOM 1589 C TYR A 104 4.939 -13.955 -3.929 1.00 0.00 C ATOM 1590 O TYR A 104 5.455 -14.517 -4.895 1.00 0.00 O ATOM 1591 CB TYR A 104 2.490 -13.465 -4.072 1.00 0.00 C ATOM 1592 CG TYR A 104 1.088 -14.023 -3.971 1.00 0.00 C ATOM 1593 CD1 TYR A 104 0.741 -15.201 -4.621 1.00 0.00 C ATOM 1594 CD2 TYR A 104 0.112 -13.373 -3.228 1.00 0.00 C ATOM 1595 CE1 TYR A 104 -0.538 -15.715 -4.533 1.00 0.00 C ATOM 1596 CE2 TYR A 104 -1.170 -13.880 -3.133 1.00 0.00 C ATOM 1597 CZ TYR A 104 -1.490 -15.051 -3.787 1.00 0.00 C ATOM 1598 OH TYR A 104 -2.766 -15.559 -3.696 1.00 0.00 O ATOM 0 H TYR A 104 3.313 -13.347 -1.616 1.00 0.00 H new ATOM 0 HA TYR A 104 3.372 -15.395 -3.729 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.518 -12.486 -3.593 1.00 0.00 H new ATOM 0 HB3 TYR A 104 2.737 -13.313 -5.123 1.00 0.00 H new ATOM 0 HD1 TYR A 104 1.484 -15.724 -5.205 1.00 0.00 H new ATOM 0 HD2 TYR A 104 0.359 -12.455 -2.715 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -0.791 -16.631 -5.045 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -1.917 -13.362 -2.550 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.312 -14.972 -3.133 1.00 0.00 H new ATOM 1608 N ILE A 105 5.535 -12.975 -3.258 1.00 0.00 N ATOM 1609 CA ILE A 105 6.860 -12.494 -3.626 1.00 0.00 C ATOM 1610 C ILE A 105 7.748 -12.333 -2.396 1.00 0.00 C ATOM 1611 O ILE A 105 7.263 -12.315 -1.264 1.00 0.00 O ATOM 1612 CB ILE A 105 6.784 -11.147 -4.369 1.00 0.00 C ATOM 1613 CG1 ILE A 105 5.860 -10.181 -3.626 1.00 0.00 C ATOM 1614 CG2 ILE A 105 6.302 -11.356 -5.797 1.00 0.00 C ATOM 1615 CD1 ILE A 105 5.804 -8.801 -4.244 1.00 0.00 C ATOM 0 H ILE A 105 5.121 -12.499 -2.457 1.00 0.00 H new ATOM 0 HA ILE A 105 7.294 -13.242 -4.290 1.00 0.00 H new ATOM 0 HB ILE A 105 7.783 -10.711 -4.403 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.854 -10.600 -3.601 1.00 0.00 H new ATOM 0 HG13 ILE A 105 6.195 -10.094 -2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 105 6.254 -10.395 -6.309 1.00 0.00 H new ATOM 0 HG22 ILE A 105 6.995 -12.013 -6.323 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.311 -11.810 -5.784 1.00 0.00 H new ATOM 0 HD11 ILE A 105 5.130 -8.170 -3.665 1.00 0.00 H new ATOM 0 HD12 ILE A 105 6.802 -8.362 -4.244 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.440 -8.876 -5.269 1.00 0.00 H new ATOM 1627 N THR A 106 9.052 -12.215 -2.626 1.00 0.00 N ATOM 1628 CA THR A 106 10.008 -12.055 -1.538 1.00 0.00 C ATOM 1629 C THR A 106 10.616 -10.657 -1.541 1.00 0.00 C ATOM 1630 O THR A 106 10.575 -9.953 -2.550 1.00 0.00 O ATOM 1631 CB THR A 106 11.141 -13.095 -1.628 1.00 0.00 C ATOM 1632 OG1 THR A 106 10.595 -14.393 -1.892 1.00 0.00 O ATOM 1633 CG2 THR A 106 11.947 -13.131 -0.339 1.00 0.00 C ATOM 0 H THR A 106 9.470 -12.227 -3.556 1.00 0.00 H new ATOM 0 HA THR A 106 9.458 -12.207 -0.609 1.00 0.00 H new ATOM 0 HB THR A 106 11.804 -12.807 -2.444 1.00 0.00 H new ATOM 0 HG1 THR A 106 11.322 -15.048 -1.949 1.00 0.00 H new ATOM 0 HG21 THR A 106 12.741 -13.873 -0.427 1.00 0.00 H new ATOM 0 HG22 THR A 106 12.386 -12.150 -0.157 1.00 0.00 H new ATOM 0 HG23 THR A 106 11.293 -13.396 0.492 1.00 0.00 H new ATOM 1641 N LYS A 107 11.181 -10.261 -0.405 1.00 0.00 N ATOM 1642 CA LYS A 107 11.800 -8.947 -0.277 1.00 0.00 C ATOM 1643 C LYS A 107 13.244 -8.975 -0.767 1.00 0.00 C ATOM 1644 O LYS A 107 14.032 -9.827 -0.357 1.00 0.00 O ATOM 1645 CB LYS A 107 11.754 -8.479 1.180 1.00 0.00 C ATOM 1646 CG LYS A 107 11.679 -6.970 1.332 1.00 0.00 C ATOM 1647 CD LYS A 107 10.240 -6.482 1.349 1.00 0.00 C ATOM 1648 CE LYS A 107 9.567 -6.775 2.681 1.00 0.00 C ATOM 1649 NZ LYS A 107 10.043 -5.861 3.756 1.00 0.00 N ATOM 0 H LYS A 107 11.223 -10.831 0.440 1.00 0.00 H new ATOM 0 HA LYS A 107 11.239 -8.247 -0.896 1.00 0.00 H new ATOM 0 HB2 LYS A 107 10.890 -8.928 1.670 1.00 0.00 H new ATOM 0 HB3 LYS A 107 12.641 -8.844 1.698 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.176 -6.671 2.255 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.216 -6.494 0.512 1.00 0.00 H new ATOM 0 HD2 LYS A 107 10.216 -5.409 1.157 1.00 0.00 H new ATOM 0 HD3 LYS A 107 9.682 -6.962 0.545 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.487 -6.676 2.572 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.765 -7.808 2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 9.456 -5.988 4.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 11.034 -6.080 3.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.972 -4.876 3.431 1.00 0.00 H new ATOM 1663 N ALA A 108 13.584 -8.038 -1.646 1.00 0.00 N ATOM 1664 CA ALA A 108 14.934 -7.954 -2.189 1.00 0.00 C ATOM 1665 C ALA A 108 15.695 -6.775 -1.589 1.00 0.00 C ATOM 1666 O ALA A 108 15.157 -5.674 -1.470 1.00 0.00 O ATOM 1667 CB ALA A 108 14.887 -7.837 -3.705 1.00 0.00 C ATOM 0 H ALA A 108 12.943 -7.326 -1.997 1.00 0.00 H new ATOM 0 HA ALA A 108 15.464 -8.869 -1.922 1.00 0.00 H new ATOM 0 HB1 ALA A 108 15.902 -7.775 -4.097 1.00 0.00 H new ATOM 0 HB2 ALA A 108 14.390 -8.713 -4.122 1.00 0.00 H new ATOM 0 HB3 ALA A 108 14.335 -6.939 -3.984 1.00 0.00 H new TER 1673 ALA A 108