USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 829 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 19 TYR OH : rot -150:sc= -1.59 USER MOD Set 1.2: A 20 MET CE :methyl -154:sc= -4.8! (180deg=-5.05) USER MOD Single : A 1 MET CE :methyl 145:sc= -2.78 (180deg=-4.92!) USER MOD Single : A 1 MET N :NH3+ -159:sc=-0.00471 (180deg=-0.192) USER MOD Single : A 3 MET CE :methyl -135:sc= -3.02 (180deg=-7.63!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.271 K(o=0.27,f=-6.6!) USER MOD Single : A 14 GLN : amide:sc=-0.00885 X(o=-0.0089,f=-0.0089) USER MOD Single : A 22 THR OG1 : rot -27:sc= 0.362 USER MOD Single : A 23 GLN : amide:sc= -1.05 K(o=-1.1,f=-3!) USER MOD Single : A 28 THR OG1 : rot 72:sc= 0.202 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 35 SER OG : rot 18:sc= 0.302 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0525 USER MOD Single : A 44 GLN : amide:sc= -6.67! C(o=-6.7!,f=-10!) USER MOD Single : B 1 MET CE :methyl 142:sc= -3.69 (180deg=-5.85!) USER MOD Single : B 1 MET N :NH3+ -161:sc= 0 (180deg=-0.135) USER MOD Single : B 3 MET CE :methyl -133:sc= -3.1 (180deg=-7.03!) USER MOD Single : B 5 THR OG1 : rot 180:sc= -0.0626 USER MOD Single : B 6 SER OG : rot 180:sc= 0 USER MOD Single : B 9 ASN : amide:sc= -0.329 K(o=-0.33,f=-4.4!) USER MOD Single : B 14 GLN : amide:sc=-0.00251 X(o=-0.0025,f=-0.0025) USER MOD Single : B 19 TYR OH : rot -59:sc= 1.32 USER MOD Single : B 20 MET CE :methyl -158:sc= -3.83 (180deg=-5.69!) USER MOD Single : B 22 THR OG1 : rot -25:sc= 0.205 USER MOD Single : B 23 GLN : amide:sc= -0.98 K(o=-0.98,f=-4!) USER MOD Single : B 28 THR OG1 : rot 69:sc= 0.716 USER MOD Single : B 30 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : B 31 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : B 35 SER OG : rot 20:sc= 0.33 USER MOD Single : B 43 SER OG : rot 180:sc= 0.0872 USER MOD Single : B 44 GLN : amide:sc= -5.26! C(o=-5.3!,f=-9.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.258 -11.053 -4.174 1.00 0.00 N ATOM 2 CA MET A 1 -1.520 -10.192 -5.091 1.00 0.00 C ATOM 3 C MET A 1 -1.613 -10.715 -6.521 1.00 0.00 C ATOM 4 O MET A 1 -1.234 -11.852 -6.803 1.00 0.00 O ATOM 5 CB MET A 1 -0.054 -10.095 -4.665 1.00 0.00 C ATOM 6 CG MET A 1 0.139 -9.493 -3.282 1.00 0.00 C ATOM 7 SD MET A 1 1.232 -8.059 -3.296 1.00 0.00 S ATOM 8 CE MET A 1 0.351 -6.973 -4.415 1.00 0.00 C ATOM 0 H1 MET A 1 -2.487 -10.523 -3.309 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.138 -11.371 -4.628 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.676 -11.880 -3.930 1.00 0.00 H new ATOM 0 HA MET A 1 -1.967 -9.198 -5.057 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.388 -11.091 -4.683 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.488 -9.492 -5.393 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.831 -9.202 -2.878 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.548 -10.251 -2.614 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.476 -5.939 -4.092 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.749 -7.089 -5.423 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.709 -7.229 -4.411 1.00 0.00 H new ATOM 18 N LEU A 2 -2.118 -9.878 -7.420 1.00 0.00 N ATOM 19 CA LEU A 2 -2.261 -10.256 -8.822 1.00 0.00 C ATOM 20 C LEU A 2 -1.471 -9.313 -9.723 1.00 0.00 C ATOM 21 O LEU A 2 -1.733 -8.111 -9.763 1.00 0.00 O ATOM 22 CB LEU A 2 -3.737 -10.247 -9.225 1.00 0.00 C ATOM 23 CG LEU A 2 -4.195 -11.400 -10.119 1.00 0.00 C ATOM 24 CD1 LEU A 2 -5.678 -11.277 -10.431 1.00 0.00 C ATOM 25 CD2 LEU A 2 -3.379 -11.436 -11.403 1.00 0.00 C ATOM 0 H LEU A 2 -2.435 -8.933 -7.204 1.00 0.00 H new ATOM 0 HA LEU A 2 -1.863 -11.264 -8.944 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.341 -10.255 -8.318 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -3.947 -9.309 -9.739 1.00 0.00 H new ATOM 0 HG LEU A 2 -4.034 -12.336 -9.583 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.986 -12.106 -11.068 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.248 -11.302 -9.503 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.864 -10.335 -10.946 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -3.719 -12.263 -12.027 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -3.508 -10.498 -11.942 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.325 -11.574 -11.161 1.00 0.00 H new ATOM 37 N MET A 3 -0.503 -9.867 -10.447 1.00 0.00 N ATOM 38 CA MET A 3 0.323 -9.075 -11.351 1.00 0.00 C ATOM 39 C MET A 3 -0.537 -8.357 -12.386 1.00 0.00 C ATOM 40 O MET A 3 -1.226 -8.994 -13.183 1.00 0.00 O ATOM 41 CB MET A 3 1.348 -9.968 -12.053 1.00 0.00 C ATOM 42 CG MET A 3 2.689 -9.290 -12.283 1.00 0.00 C ATOM 43 SD MET A 3 3.569 -9.956 -13.709 1.00 0.00 S ATOM 44 CE MET A 3 4.036 -8.448 -14.554 1.00 0.00 C ATOM 0 H MET A 3 -0.272 -10.860 -10.425 1.00 0.00 H new ATOM 0 HA MET A 3 0.849 -8.325 -10.760 1.00 0.00 H new ATOM 0 HB2 MET A 3 1.502 -10.867 -11.457 1.00 0.00 H new ATOM 0 HB3 MET A 3 0.942 -10.287 -13.013 1.00 0.00 H new ATOM 0 HG2 MET A 3 2.531 -8.221 -12.425 1.00 0.00 H new ATOM 0 HG3 MET A 3 3.307 -9.406 -11.393 1.00 0.00 H new ATOM 0 HE1 MET A 3 3.834 -8.551 -15.620 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.460 -7.613 -14.154 1.00 0.00 H new ATOM 0 HE3 MET A 3 5.099 -8.261 -14.403 1.00 0.00 H new ATOM 54 N ILE A 4 -0.493 -7.029 -12.367 1.00 0.00 N ATOM 55 CA ILE A 4 -1.268 -6.226 -13.304 1.00 0.00 C ATOM 56 C ILE A 4 -0.639 -6.243 -14.693 1.00 0.00 C ATOM 57 O ILE A 4 -1.315 -6.498 -15.691 1.00 0.00 O ATOM 58 CB ILE A 4 -1.392 -4.767 -12.827 1.00 0.00 C ATOM 59 CG1 ILE A 4 -2.214 -4.697 -11.538 1.00 0.00 C ATOM 60 CG2 ILE A 4 -2.023 -3.907 -13.912 1.00 0.00 C ATOM 61 CD1 ILE A 4 -3.547 -5.406 -11.633 1.00 0.00 C ATOM 0 H ILE A 4 0.071 -6.487 -11.713 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.263 -6.669 -13.352 1.00 0.00 H new ATOM 0 HB ILE A 4 -0.394 -4.382 -12.620 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.636 -5.134 -10.724 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.385 -3.651 -11.282 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.104 -2.879 -13.560 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -1.401 -3.936 -14.807 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.016 -4.289 -14.147 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.076 -5.316 -10.684 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.144 -4.954 -12.425 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.383 -6.460 -11.858 1.00 0.00 H new ATOM 73 N THR A 5 0.661 -5.971 -14.752 1.00 0.00 N ATOM 74 CA THR A 5 1.382 -5.956 -16.018 1.00 0.00 C ATOM 75 C THR A 5 2.870 -5.706 -15.801 1.00 0.00 C ATOM 76 O THR A 5 3.306 -5.429 -14.683 1.00 0.00 O ATOM 77 CB THR A 5 0.826 -4.879 -16.969 1.00 0.00 C ATOM 78 OG1 THR A 5 1.409 -5.024 -18.269 1.00 0.00 O ATOM 79 CG2 THR A 5 1.111 -3.484 -16.432 1.00 0.00 C ATOM 0 H THR A 5 1.236 -5.758 -13.937 1.00 0.00 H new ATOM 0 HA THR A 5 1.243 -6.937 -16.471 1.00 0.00 H new ATOM 0 HB THR A 5 -0.254 -5.011 -17.040 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.049 -4.337 -18.868 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.709 -2.740 -17.120 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.641 -3.367 -15.456 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.188 -3.344 -16.335 1.00 0.00 H new ATOM 87 N SER A 6 3.645 -5.804 -16.876 1.00 0.00 N ATOM 88 CA SER A 6 5.086 -5.591 -16.802 1.00 0.00 C ATOM 89 C SER A 6 5.519 -4.471 -17.742 1.00 0.00 C ATOM 90 O SER A 6 4.975 -4.318 -18.836 1.00 0.00 O ATOM 91 CB SER A 6 5.832 -6.881 -17.149 1.00 0.00 C ATOM 92 OG SER A 6 5.280 -7.495 -18.301 1.00 0.00 O ATOM 0 H SER A 6 3.299 -6.030 -17.809 1.00 0.00 H new ATOM 0 HA SER A 6 5.333 -5.300 -15.781 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.886 -6.661 -17.320 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.783 -7.571 -16.307 1.00 0.00 H new ATOM 0 HG SER A 6 5.775 -8.316 -18.503 1.00 0.00 H new ATOM 98 N PHE A 7 6.503 -3.690 -17.308 1.00 0.00 N ATOM 99 CA PHE A 7 7.010 -2.582 -18.110 1.00 0.00 C ATOM 100 C PHE A 7 8.535 -2.580 -18.132 1.00 0.00 C ATOM 101 O PHE A 7 9.181 -3.052 -17.196 1.00 0.00 O ATOM 102 CB PHE A 7 6.494 -1.250 -17.561 1.00 0.00 C ATOM 103 CG PHE A 7 5.016 -1.058 -17.744 1.00 0.00 C ATOM 104 CD1 PHE A 7 4.434 -1.206 -18.993 1.00 0.00 C ATOM 105 CD2 PHE A 7 4.208 -0.730 -16.667 1.00 0.00 C ATOM 106 CE1 PHE A 7 3.074 -1.029 -19.164 1.00 0.00 C ATOM 107 CE2 PHE A 7 2.847 -0.552 -16.833 1.00 0.00 C ATOM 108 CZ PHE A 7 2.280 -0.703 -18.083 1.00 0.00 C ATOM 0 H PHE A 7 6.965 -3.804 -16.406 1.00 0.00 H new ATOM 0 HA PHE A 7 6.650 -2.710 -19.131 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.732 -1.188 -16.499 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.022 -0.434 -18.054 1.00 0.00 H new ATOM 0 HD1 PHE A 7 5.050 -1.463 -19.842 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.646 -0.612 -15.687 1.00 0.00 H new ATOM 0 HE1 PHE A 7 2.633 -1.146 -20.143 1.00 0.00 H new ATOM 0 HE2 PHE A 7 2.228 -0.295 -15.986 1.00 0.00 H new ATOM 0 HZ PHE A 7 1.217 -0.566 -18.215 1.00 0.00 H new ATOM 118 N ALA A 8 9.105 -2.046 -19.207 1.00 0.00 N ATOM 119 CA ALA A 8 10.554 -1.981 -19.351 1.00 0.00 C ATOM 120 C ALA A 8 11.053 -0.544 -19.239 1.00 0.00 C ATOM 121 O ALA A 8 12.079 -0.187 -19.815 1.00 0.00 O ATOM 122 CB ALA A 8 10.980 -2.587 -20.680 1.00 0.00 C ATOM 0 H ALA A 8 8.585 -1.652 -19.991 1.00 0.00 H new ATOM 0 HA ALA A 8 11.001 -2.558 -18.541 1.00 0.00 H new ATOM 0 HB1 ALA A 8 12.065 -2.532 -20.774 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.665 -3.630 -20.722 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.516 -2.034 -21.497 1.00 0.00 H new ATOM 128 N ASN A 9 10.319 0.275 -18.493 1.00 0.00 N ATOM 129 CA ASN A 9 10.687 1.674 -18.306 1.00 0.00 C ATOM 130 C ASN A 9 10.169 2.199 -16.970 1.00 0.00 C ATOM 131 O ASN A 9 9.048 1.909 -16.553 1.00 0.00 O ATOM 132 CB ASN A 9 10.133 2.526 -19.450 1.00 0.00 C ATOM 133 CG ASN A 9 11.187 2.853 -20.490 1.00 0.00 C ATOM 134 OD1 ASN A 9 12.293 3.279 -20.157 1.00 0.00 O ATOM 135 ND2 ASN A 9 10.848 2.655 -21.759 1.00 0.00 N ATOM 0 H ASN A 9 9.466 -0.005 -18.008 1.00 0.00 H new ATOM 0 HA ASN A 9 11.775 1.741 -18.306 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.308 1.997 -19.927 1.00 0.00 H new ATOM 0 HB3 ASN A 9 9.726 3.453 -19.045 1.00 0.00 H new ATOM 0 HD21 ASN A 9 11.516 2.858 -22.503 1.00 0.00 H new ATOM 0 HD22 ASN A 9 9.920 2.300 -21.990 1.00 0.00 H new ATOM 142 N PRO A 10 11.005 2.991 -16.282 1.00 0.00 N ATOM 143 CA PRO A 10 10.654 3.574 -14.984 1.00 0.00 C ATOM 144 C PRO A 10 9.578 4.648 -15.103 1.00 0.00 C ATOM 145 O PRO A 10 8.597 4.642 -14.359 1.00 0.00 O ATOM 146 CB PRO A 10 11.971 4.188 -14.503 1.00 0.00 C ATOM 147 CG PRO A 10 12.739 4.463 -15.750 1.00 0.00 C ATOM 148 CD PRO A 10 12.357 3.378 -16.718 1.00 0.00 C ATOM 0 HA PRO A 10 10.240 2.831 -14.302 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.797 5.102 -13.935 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.511 3.504 -13.848 1.00 0.00 H new ATOM 0 HG2 PRO A 10 12.495 5.447 -16.150 1.00 0.00 H new ATOM 0 HG3 PRO A 10 13.812 4.455 -15.558 1.00 0.00 H new ATOM 0 HD2 PRO A 10 12.359 3.738 -17.747 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.050 2.537 -16.673 1.00 0.00 H new ATOM 156 N ARG A 11 9.768 5.569 -16.042 1.00 0.00 N ATOM 157 CA ARG A 11 8.814 6.649 -16.257 1.00 0.00 C ATOM 158 C ARG A 11 7.400 6.101 -16.425 1.00 0.00 C ATOM 159 O ARG A 11 6.460 6.573 -15.785 1.00 0.00 O ATOM 160 CB ARG A 11 9.205 7.466 -17.491 1.00 0.00 C ATOM 161 CG ARG A 11 9.467 6.618 -18.725 1.00 0.00 C ATOM 162 CD ARG A 11 10.654 7.141 -19.519 1.00 0.00 C ATOM 163 NE ARG A 11 11.760 6.187 -19.541 1.00 0.00 N ATOM 164 CZ ARG A 11 12.989 6.497 -19.937 1.00 0.00 C ATOM 165 NH1 ARG A 11 13.269 7.729 -20.340 1.00 0.00 N ATOM 166 NH2 ARG A 11 13.943 5.575 -19.929 1.00 0.00 N ATOM 0 H ARG A 11 10.575 5.588 -16.666 1.00 0.00 H new ATOM 0 HA ARG A 11 8.833 7.296 -15.380 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.410 8.178 -17.712 1.00 0.00 H new ATOM 0 HB3 ARG A 11 10.099 8.047 -17.263 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.654 5.587 -18.426 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.580 6.611 -19.358 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.340 7.356 -20.540 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.995 8.081 -19.085 1.00 0.00 H new ATOM 0 HE ARG A 11 11.578 5.231 -19.236 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.539 8.442 -20.346 1.00 0.00 H new ATOM 0 HH12 ARG A 11 14.214 7.964 -20.644 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.733 4.626 -19.618 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.887 5.815 -20.234 1.00 0.00 H new ATOM 180 N VAL A 12 7.257 5.101 -17.290 1.00 0.00 N ATOM 181 CA VAL A 12 5.959 4.488 -17.541 1.00 0.00 C ATOM 182 C VAL A 12 5.424 3.801 -16.290 1.00 0.00 C ATOM 183 O VAL A 12 4.284 4.026 -15.885 1.00 0.00 O ATOM 184 CB VAL A 12 6.036 3.459 -18.685 1.00 0.00 C ATOM 185 CG1 VAL A 12 4.694 2.768 -18.874 1.00 0.00 C ATOM 186 CG2 VAL A 12 6.486 4.129 -19.975 1.00 0.00 C ATOM 0 H VAL A 12 8.025 4.699 -17.828 1.00 0.00 H new ATOM 0 HA VAL A 12 5.281 5.291 -17.829 1.00 0.00 H new ATOM 0 HB VAL A 12 6.773 2.701 -18.419 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.768 2.045 -19.686 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.417 2.253 -17.954 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.934 3.510 -19.117 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.535 3.387 -20.772 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.775 4.908 -20.248 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.471 4.572 -19.830 1.00 0.00 H new ATOM 196 N ALA A 13 6.255 2.962 -15.681 1.00 0.00 N ATOM 197 CA ALA A 13 5.867 2.244 -14.473 1.00 0.00 C ATOM 198 C ALA A 13 5.386 3.206 -13.393 1.00 0.00 C ATOM 199 O ALA A 13 4.230 3.156 -12.974 1.00 0.00 O ATOM 200 CB ALA A 13 7.030 1.408 -13.959 1.00 0.00 C ATOM 0 H ALA A 13 7.202 2.763 -16.004 1.00 0.00 H new ATOM 0 HA ALA A 13 5.040 1.580 -14.725 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.726 0.877 -13.057 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.325 0.687 -14.722 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.873 2.060 -13.730 1.00 0.00 H new ATOM 206 N GLN A 14 6.281 4.081 -12.945 1.00 0.00 N ATOM 207 CA GLN A 14 5.947 5.054 -11.911 1.00 0.00 C ATOM 208 C GLN A 14 4.706 5.852 -12.296 1.00 0.00 C ATOM 209 O GLN A 14 3.826 6.086 -11.468 1.00 0.00 O ATOM 210 CB GLN A 14 7.124 6.001 -11.673 1.00 0.00 C ATOM 211 CG GLN A 14 6.880 7.008 -10.561 1.00 0.00 C ATOM 212 CD GLN A 14 6.827 6.362 -9.191 1.00 0.00 C ATOM 213 OE1 GLN A 14 7.773 5.697 -8.768 1.00 0.00 O ATOM 214 NE2 GLN A 14 5.716 6.554 -8.488 1.00 0.00 N ATOM 0 H GLN A 14 7.242 4.136 -13.282 1.00 0.00 H new ATOM 0 HA GLN A 14 5.736 4.511 -10.990 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.009 5.413 -11.431 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.340 6.538 -12.597 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.671 7.758 -10.575 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.942 7.531 -10.749 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.956 7.112 -8.877 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.623 6.143 -7.559 1.00 0.00 H new ATOM 223 N ALA A 15 4.643 6.267 -13.557 1.00 0.00 N ATOM 224 CA ALA A 15 3.509 7.038 -14.051 1.00 0.00 C ATOM 225 C ALA A 15 2.209 6.252 -13.914 1.00 0.00 C ATOM 226 O ALA A 15 1.179 6.800 -13.521 1.00 0.00 O ATOM 227 CB ALA A 15 3.735 7.439 -15.502 1.00 0.00 C ATOM 0 H ALA A 15 5.364 6.082 -14.255 1.00 0.00 H new ATOM 0 HA ALA A 15 3.423 7.940 -13.445 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.880 8.014 -15.858 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.637 8.046 -15.575 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.850 6.544 -16.113 1.00 0.00 H new ATOM 233 N PHE A 16 2.264 4.966 -14.242 1.00 0.00 N ATOM 234 CA PHE A 16 1.090 4.104 -14.156 1.00 0.00 C ATOM 235 C PHE A 16 0.634 3.949 -12.709 1.00 0.00 C ATOM 236 O PHE A 16 -0.474 4.348 -12.349 1.00 0.00 O ATOM 237 CB PHE A 16 1.395 2.731 -14.758 1.00 0.00 C ATOM 238 CG PHE A 16 0.837 2.545 -16.140 1.00 0.00 C ATOM 239 CD1 PHE A 16 -0.532 2.497 -16.349 1.00 0.00 C ATOM 240 CD2 PHE A 16 1.682 2.418 -17.231 1.00 0.00 C ATOM 241 CE1 PHE A 16 -1.047 2.325 -17.620 1.00 0.00 C ATOM 242 CE2 PHE A 16 1.173 2.246 -18.504 1.00 0.00 C ATOM 243 CZ PHE A 16 -0.193 2.201 -18.699 1.00 0.00 C ATOM 0 H PHE A 16 3.108 4.497 -14.570 1.00 0.00 H new ATOM 0 HA PHE A 16 0.284 4.570 -14.723 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.475 2.589 -14.789 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.990 1.958 -14.104 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.204 2.595 -15.509 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.751 2.454 -17.084 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.116 2.288 -17.770 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.843 2.147 -19.345 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.593 2.069 -19.693 1.00 0.00 H new ATOM 253 N VAL A 17 1.496 3.365 -11.882 1.00 0.00 N ATOM 254 CA VAL A 17 1.183 3.156 -10.474 1.00 0.00 C ATOM 255 C VAL A 17 0.810 4.468 -9.793 1.00 0.00 C ATOM 256 O VAL A 17 0.081 4.480 -8.801 1.00 0.00 O ATOM 257 CB VAL A 17 2.369 2.521 -9.723 1.00 0.00 C ATOM 258 CG1 VAL A 17 3.676 3.179 -10.136 1.00 0.00 C ATOM 259 CG2 VAL A 17 2.163 2.621 -8.220 1.00 0.00 C ATOM 0 H VAL A 17 2.417 3.028 -12.164 1.00 0.00 H new ATOM 0 HA VAL A 17 0.332 2.476 -10.437 1.00 0.00 H new ATOM 0 HB VAL A 17 2.422 1.465 -9.989 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.502 2.718 -9.595 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.826 3.049 -11.208 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.638 4.243 -9.901 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.010 2.167 -7.706 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.083 3.669 -7.933 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.248 2.098 -7.943 1.00 0.00 H new ATOM 269 N ASP A 18 1.315 5.572 -10.333 1.00 0.00 N ATOM 270 CA ASP A 18 1.033 6.892 -9.779 1.00 0.00 C ATOM 271 C ASP A 18 -0.414 7.295 -10.044 1.00 0.00 C ATOM 272 O ASP A 18 -1.183 7.533 -9.113 1.00 0.00 O ATOM 273 CB ASP A 18 1.983 7.932 -10.375 1.00 0.00 C ATOM 274 CG ASP A 18 1.706 9.331 -9.861 1.00 0.00 C ATOM 275 OD1 ASP A 18 1.326 9.464 -8.680 1.00 0.00 O ATOM 276 OD2 ASP A 18 1.869 10.293 -10.641 1.00 0.00 O ATOM 0 H ASP A 18 1.921 5.579 -11.153 1.00 0.00 H new ATOM 0 HA ASP A 18 1.187 6.847 -8.701 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.011 7.658 -10.139 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.892 7.923 -11.461 1.00 0.00 H new ATOM 281 N TYR A 19 -0.777 7.371 -11.320 1.00 0.00 N ATOM 282 CA TYR A 19 -2.130 7.750 -11.708 1.00 0.00 C ATOM 283 C TYR A 19 -3.158 6.803 -11.094 1.00 0.00 C ATOM 284 O TYR A 19 -4.281 7.202 -10.791 1.00 0.00 O ATOM 285 CB TYR A 19 -2.266 7.749 -13.232 1.00 0.00 C ATOM 286 CG TYR A 19 -3.131 6.628 -13.762 1.00 0.00 C ATOM 287 CD1 TYR A 19 -4.511 6.768 -13.843 1.00 0.00 C ATOM 288 CD2 TYR A 19 -2.569 5.428 -14.181 1.00 0.00 C ATOM 289 CE1 TYR A 19 -5.305 5.746 -14.326 1.00 0.00 C ATOM 290 CE2 TYR A 19 -3.355 4.402 -14.667 1.00 0.00 C ATOM 291 CZ TYR A 19 -4.723 4.565 -14.737 1.00 0.00 C ATOM 292 OH TYR A 19 -5.510 3.545 -15.219 1.00 0.00 O ATOM 0 H TYR A 19 -0.153 7.175 -12.103 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.319 8.756 -11.334 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.686 8.703 -13.552 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.274 7.672 -13.677 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.971 7.691 -13.523 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.499 5.296 -14.126 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.376 5.871 -14.382 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.901 3.477 -14.991 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.087 2.684 -15.021 1.00 0.00 H new ATOM 302 N MET A 20 -2.762 5.547 -10.914 1.00 0.00 N ATOM 303 CA MET A 20 -3.647 4.543 -10.335 1.00 0.00 C ATOM 304 C MET A 20 -3.776 4.737 -8.828 1.00 0.00 C ATOM 305 O MET A 20 -4.856 4.570 -8.261 1.00 0.00 O ATOM 306 CB MET A 20 -3.125 3.137 -10.637 1.00 0.00 C ATOM 307 CG MET A 20 -4.227 2.128 -10.919 1.00 0.00 C ATOM 308 SD MET A 20 -4.552 1.929 -12.682 1.00 0.00 S ATOM 309 CE MET A 20 -6.300 2.316 -12.749 1.00 0.00 C ATOM 0 H MET A 20 -1.835 5.201 -11.161 1.00 0.00 H new ATOM 0 HA MET A 20 -4.633 4.661 -10.785 1.00 0.00 H new ATOM 0 HB2 MET A 20 -2.457 3.183 -11.497 1.00 0.00 H new ATOM 0 HB3 MET A 20 -2.532 2.789 -9.791 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.949 1.164 -10.494 1.00 0.00 H new ATOM 0 HG3 MET A 20 -5.142 2.445 -10.418 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.750 1.818 -13.608 1.00 0.00 H new ATOM 0 HE2 MET A 20 -6.784 1.972 -11.835 1.00 0.00 H new ATOM 0 HE3 MET A 20 -6.431 3.394 -12.845 1.00 0.00 H new ATOM 319 N ALA A 21 -2.668 5.090 -8.184 1.00 0.00 N ATOM 320 CA ALA A 21 -2.659 5.309 -6.743 1.00 0.00 C ATOM 321 C ALA A 21 -3.552 6.484 -6.359 1.00 0.00 C ATOM 322 O ALA A 21 -4.257 6.439 -5.351 1.00 0.00 O ATOM 323 CB ALA A 21 -1.237 5.542 -6.254 1.00 0.00 C ATOM 0 H ALA A 21 -1.765 5.230 -8.638 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.055 4.415 -6.262 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.245 5.704 -5.176 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.625 4.670 -6.485 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.821 6.419 -6.750 1.00 0.00 H new ATOM 329 N THR A 22 -3.516 7.537 -7.170 1.00 0.00 N ATOM 330 CA THR A 22 -4.320 8.725 -6.915 1.00 0.00 C ATOM 331 C THR A 22 -5.773 8.504 -7.320 1.00 0.00 C ATOM 332 O THR A 22 -6.650 9.296 -6.977 1.00 0.00 O ATOM 333 CB THR A 22 -3.770 9.949 -7.671 1.00 0.00 C ATOM 334 OG1 THR A 22 -4.552 11.108 -7.363 1.00 0.00 O ATOM 335 CG2 THR A 22 -3.782 9.708 -9.173 1.00 0.00 C ATOM 0 H THR A 22 -2.938 7.591 -8.009 1.00 0.00 H new ATOM 0 HA THR A 22 -4.269 8.916 -5.843 1.00 0.00 H new ATOM 0 HB THR A 22 -2.740 10.111 -7.353 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.461 10.834 -7.118 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.389 10.586 -9.686 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.162 8.843 -9.408 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.804 9.522 -9.503 1.00 0.00 H new ATOM 343 N GLN A 23 -6.020 7.421 -8.050 1.00 0.00 N ATOM 344 CA GLN A 23 -7.368 7.096 -8.501 1.00 0.00 C ATOM 345 C GLN A 23 -8.087 6.220 -7.480 1.00 0.00 C ATOM 346 O GLN A 23 -9.238 5.832 -7.681 1.00 0.00 O ATOM 347 CB GLN A 23 -7.318 6.385 -9.855 1.00 0.00 C ATOM 348 CG GLN A 23 -7.215 7.335 -11.037 1.00 0.00 C ATOM 349 CD GLN A 23 -8.496 8.112 -11.275 1.00 0.00 C ATOM 350 OE1 GLN A 23 -9.351 7.697 -12.057 1.00 0.00 O ATOM 351 NE2 GLN A 23 -8.634 9.247 -10.599 1.00 0.00 N ATOM 0 H GLN A 23 -5.305 6.754 -8.341 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.923 8.028 -8.608 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.465 5.707 -9.869 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.213 5.773 -9.968 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.397 8.034 -10.866 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.967 6.767 -11.934 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.899 9.553 -9.961 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.474 9.813 -10.718 1.00 0.00 H new ATOM 360 N GLY A 24 -7.401 5.912 -6.384 1.00 0.00 N ATOM 361 CA GLY A 24 -7.990 5.083 -5.348 1.00 0.00 C ATOM 362 C GLY A 24 -7.503 3.649 -5.406 1.00 0.00 C ATOM 363 O GLY A 24 -7.839 2.837 -4.544 1.00 0.00 O ATOM 0 H GLY A 24 -6.448 6.222 -6.195 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.753 5.505 -4.371 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.075 5.099 -5.447 1.00 0.00 H new ATOM 367 N VAL A 25 -6.710 3.336 -6.425 1.00 0.00 N ATOM 368 CA VAL A 25 -6.176 1.989 -6.592 1.00 0.00 C ATOM 369 C VAL A 25 -4.680 1.951 -6.302 1.00 0.00 C ATOM 370 O VAL A 25 -3.879 2.527 -7.040 1.00 0.00 O ATOM 371 CB VAL A 25 -6.425 1.460 -8.017 1.00 0.00 C ATOM 372 CG1 VAL A 25 -6.110 -0.026 -8.098 1.00 0.00 C ATOM 373 CG2 VAL A 25 -7.859 1.733 -8.444 1.00 0.00 C ATOM 0 H VAL A 25 -6.423 3.996 -7.147 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.698 1.351 -5.879 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.760 1.986 -8.702 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.292 -0.382 -9.112 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.064 -0.191 -7.838 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.748 -0.572 -7.402 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.017 1.353 -9.453 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.544 1.236 -7.757 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.045 2.807 -8.428 1.00 0.00 H new ATOM 383 N ILE A 26 -4.310 1.269 -5.224 1.00 0.00 N ATOM 384 CA ILE A 26 -2.909 1.155 -4.836 1.00 0.00 C ATOM 385 C ILE A 26 -2.194 0.096 -5.668 1.00 0.00 C ATOM 386 O ILE A 26 -2.664 -1.036 -5.790 1.00 0.00 O ATOM 387 CB ILE A 26 -2.764 0.804 -3.344 1.00 0.00 C ATOM 388 CG1 ILE A 26 -3.439 1.870 -2.479 1.00 0.00 C ATOM 389 CG2 ILE A 26 -1.295 0.665 -2.973 1.00 0.00 C ATOM 390 CD1 ILE A 26 -2.867 3.257 -2.673 1.00 0.00 C ATOM 0 H ILE A 26 -4.960 0.787 -4.603 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.451 2.127 -5.017 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.257 -0.151 -3.161 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.505 1.890 -2.707 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.343 1.590 -1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.209 0.417 -1.915 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.842 -0.127 -3.570 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.780 1.606 -3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.393 3.961 -2.028 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.808 3.253 -2.417 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.987 3.558 -3.714 1.00 0.00 H new ATOM 402 N LEU A 27 -1.053 0.469 -6.237 1.00 0.00 N ATOM 403 CA LEU A 27 -0.270 -0.450 -7.056 1.00 0.00 C ATOM 404 C LEU A 27 1.177 -0.509 -6.576 1.00 0.00 C ATOM 405 O LEU A 27 1.642 0.378 -5.860 1.00 0.00 O ATOM 406 CB LEU A 27 -0.315 -0.020 -8.524 1.00 0.00 C ATOM 407 CG LEU A 27 -1.655 -0.205 -9.236 1.00 0.00 C ATOM 408 CD1 LEU A 27 -1.542 0.194 -10.699 1.00 0.00 C ATOM 409 CD2 LEU A 27 -2.133 -1.644 -9.109 1.00 0.00 C ATOM 0 H LEU A 27 -0.649 1.401 -6.146 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.706 -1.445 -6.961 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.037 1.032 -8.582 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.444 -0.581 -9.070 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.390 0.444 -8.760 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.506 0.056 -11.189 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.246 1.241 -10.769 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.793 -0.428 -11.189 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.088 -1.757 -9.622 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.399 -2.312 -9.559 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.255 -1.895 -8.055 1.00 0.00 H new ATOM 421 N THR A 28 1.886 -1.560 -6.978 1.00 0.00 N ATOM 422 CA THR A 28 3.280 -1.735 -6.590 1.00 0.00 C ATOM 423 C THR A 28 4.165 -1.960 -7.810 1.00 0.00 C ATOM 424 O THR A 28 3.753 -2.598 -8.779 1.00 0.00 O ATOM 425 CB THR A 28 3.449 -2.921 -5.622 1.00 0.00 C ATOM 426 OG1 THR A 28 2.178 -3.293 -5.076 1.00 0.00 O ATOM 427 CG2 THR A 28 4.406 -2.567 -4.494 1.00 0.00 C ATOM 0 H THR A 28 1.517 -2.303 -7.572 1.00 0.00 H new ATOM 0 HA THR A 28 3.586 -0.818 -6.086 1.00 0.00 H new ATOM 0 HB THR A 28 3.864 -3.760 -6.180 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.640 -3.731 -5.768 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.509 -3.420 -3.823 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.381 -2.312 -4.910 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.015 -1.714 -3.939 1.00 0.00 H new ATOM 435 N ILE A 29 5.384 -1.433 -7.756 1.00 0.00 N ATOM 436 CA ILE A 29 6.328 -1.578 -8.856 1.00 0.00 C ATOM 437 C ILE A 29 7.572 -2.343 -8.416 1.00 0.00 C ATOM 438 O ILE A 29 8.053 -2.172 -7.297 1.00 0.00 O ATOM 439 CB ILE A 29 6.754 -0.208 -9.418 1.00 0.00 C ATOM 440 CG1 ILE A 29 5.568 0.479 -10.098 1.00 0.00 C ATOM 441 CG2 ILE A 29 7.909 -0.371 -10.394 1.00 0.00 C ATOM 442 CD1 ILE A 29 5.084 -0.238 -11.338 1.00 0.00 C ATOM 0 H ILE A 29 5.740 -0.902 -6.962 1.00 0.00 H new ATOM 0 HA ILE A 29 5.816 -2.139 -9.638 1.00 0.00 H new ATOM 0 HB ILE A 29 7.089 0.419 -8.592 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.745 0.554 -9.387 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.852 1.497 -10.364 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.198 0.606 -10.782 1.00 0.00 H new ATOM 0 HG22 ILE A 29 8.758 -0.823 -9.881 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.600 -1.012 -11.219 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.242 0.305 -11.767 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.892 -0.289 -12.067 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.768 -1.247 -11.075 1.00 0.00 H new ATOM 454 N GLN A 30 8.088 -3.185 -9.306 1.00 0.00 N ATOM 455 CA GLN A 30 9.277 -3.975 -9.010 1.00 0.00 C ATOM 456 C GLN A 30 10.397 -3.664 -9.996 1.00 0.00 C ATOM 457 O GLN A 30 10.376 -4.123 -11.138 1.00 0.00 O ATOM 458 CB GLN A 30 8.946 -5.468 -9.050 1.00 0.00 C ATOM 459 CG GLN A 30 8.770 -6.089 -7.673 1.00 0.00 C ATOM 460 CD GLN A 30 9.787 -7.176 -7.389 1.00 0.00 C ATOM 461 OE1 GLN A 30 9.929 -8.126 -8.160 1.00 0.00 O ATOM 462 NE2 GLN A 30 10.502 -7.043 -6.279 1.00 0.00 N ATOM 0 H GLN A 30 7.701 -3.337 -10.237 1.00 0.00 H new ATOM 0 HA GLN A 30 9.617 -3.712 -8.008 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.031 -5.614 -9.625 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.741 -5.994 -9.578 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.854 -5.311 -6.914 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.766 -6.506 -7.592 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.352 -6.240 -5.669 1.00 0.00 H new ATOM 0 HE22 GLN A 30 11.202 -7.744 -6.036 1.00 0.00 H new ATOM 471 N GLN A 31 11.374 -2.882 -9.548 1.00 0.00 N ATOM 472 CA GLN A 31 12.503 -2.509 -10.393 1.00 0.00 C ATOM 473 C GLN A 31 13.630 -3.530 -10.276 1.00 0.00 C ATOM 474 O GLN A 31 14.320 -3.595 -9.258 1.00 0.00 O ATOM 475 CB GLN A 31 13.015 -1.119 -10.011 1.00 0.00 C ATOM 476 CG GLN A 31 12.829 -0.081 -11.105 1.00 0.00 C ATOM 477 CD GLN A 31 13.312 1.296 -10.691 1.00 0.00 C ATOM 478 OE1 GLN A 31 13.223 1.672 -9.522 1.00 0.00 O ATOM 479 NE2 GLN A 31 13.826 2.056 -11.651 1.00 0.00 N ATOM 0 H GLN A 31 11.407 -2.494 -8.605 1.00 0.00 H new ATOM 0 HA GLN A 31 12.161 -2.490 -11.428 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.497 -0.784 -9.112 1.00 0.00 H new ATOM 0 HB3 GLN A 31 14.074 -1.187 -9.762 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.369 -0.398 -11.997 1.00 0.00 H new ATOM 0 HG3 GLN A 31 11.774 -0.026 -11.373 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.880 1.703 -12.607 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.167 2.992 -11.433 1.00 0.00 H new ATOM 536 N SER A 35 23.807 -7.125 -12.807 1.00 0.00 N ATOM 537 CA SER A 35 25.016 -6.618 -13.444 1.00 0.00 C ATOM 538 C SER A 35 25.805 -7.752 -14.092 1.00 0.00 C ATOM 539 O SER A 35 26.496 -8.510 -13.412 1.00 0.00 O ATOM 540 CB SER A 35 25.892 -5.893 -12.421 1.00 0.00 C ATOM 541 OG SER A 35 25.109 -5.076 -11.567 1.00 0.00 O ATOM 0 HA SER A 35 24.719 -5.914 -14.221 1.00 0.00 H new ATOM 0 HB2 SER A 35 26.443 -6.622 -11.827 1.00 0.00 H new ATOM 0 HB3 SER A 35 26.630 -5.281 -12.939 1.00 0.00 H new ATOM 0 HG SER A 35 24.172 -5.358 -11.614 1.00 0.00 H new ATOM 547 N ASP A 36 25.696 -7.861 -15.412 1.00 0.00 N ATOM 548 CA ASP A 36 26.399 -8.901 -16.154 1.00 0.00 C ATOM 549 C ASP A 36 27.792 -8.432 -16.559 1.00 0.00 C ATOM 550 O ASP A 36 27.950 -7.375 -17.170 1.00 0.00 O ATOM 551 CB ASP A 36 25.600 -9.300 -17.395 1.00 0.00 C ATOM 552 CG ASP A 36 26.482 -9.850 -18.499 1.00 0.00 C ATOM 553 OD1 ASP A 36 27.389 -10.650 -18.190 1.00 0.00 O ATOM 554 OD2 ASP A 36 26.265 -9.480 -19.672 1.00 0.00 O ATOM 0 H ASP A 36 25.128 -7.242 -15.990 1.00 0.00 H new ATOM 0 HA ASP A 36 26.503 -9.770 -15.504 1.00 0.00 H new ATOM 0 HB2 ASP A 36 24.857 -10.049 -17.120 1.00 0.00 H new ATOM 0 HB3 ASP A 36 25.055 -8.432 -17.767 1.00 0.00 H new ATOM 559 N VAL A 37 28.802 -9.225 -16.214 1.00 0.00 N ATOM 560 CA VAL A 37 30.183 -8.891 -16.542 1.00 0.00 C ATOM 561 C VAL A 37 30.651 -9.645 -17.782 1.00 0.00 C ATOM 562 O VAL A 37 30.664 -10.876 -17.803 1.00 0.00 O ATOM 563 CB VAL A 37 31.131 -9.211 -15.371 1.00 0.00 C ATOM 564 CG1 VAL A 37 32.464 -8.501 -15.553 1.00 0.00 C ATOM 565 CG2 VAL A 37 30.489 -8.827 -14.047 1.00 0.00 C ATOM 0 H VAL A 37 28.690 -10.103 -15.707 1.00 0.00 H new ATOM 0 HA VAL A 37 30.211 -7.819 -16.740 1.00 0.00 H new ATOM 0 HB VAL A 37 31.318 -10.285 -15.360 1.00 0.00 H new ATOM 0 HG11 VAL A 37 33.120 -8.739 -14.716 1.00 0.00 H new ATOM 0 HG12 VAL A 37 32.928 -8.830 -16.483 1.00 0.00 H new ATOM 0 HG13 VAL A 37 32.300 -7.424 -15.591 1.00 0.00 H new ATOM 0 HG21 VAL A 37 31.172 -9.060 -13.230 1.00 0.00 H new ATOM 0 HG22 VAL A 37 30.271 -7.759 -14.045 1.00 0.00 H new ATOM 0 HG23 VAL A 37 29.563 -9.387 -13.916 1.00 0.00 H new ATOM 575 N TRP A 38 31.035 -8.899 -18.811 1.00 0.00 N ATOM 576 CA TRP A 38 31.505 -9.498 -20.055 1.00 0.00 C ATOM 577 C TRP A 38 32.857 -8.921 -20.460 1.00 0.00 C ATOM 578 O TRP A 38 33.117 -7.731 -20.273 1.00 0.00 O ATOM 579 CB TRP A 38 30.485 -9.270 -21.172 1.00 0.00 C ATOM 580 CG TRP A 38 29.600 -8.085 -20.935 1.00 0.00 C ATOM 581 CD1 TRP A 38 28.734 -7.903 -19.894 1.00 0.00 C ATOM 582 CD2 TRP A 38 29.492 -6.917 -21.757 1.00 0.00 C ATOM 583 NE1 TRP A 38 28.095 -6.693 -20.020 1.00 0.00 N ATOM 584 CE2 TRP A 38 28.543 -6.069 -21.154 1.00 0.00 C ATOM 585 CE3 TRP A 38 30.107 -6.506 -22.943 1.00 0.00 C ATOM 586 CZ2 TRP A 38 28.196 -4.835 -21.699 1.00 0.00 C ATOM 587 CZ3 TRP A 38 29.761 -5.282 -23.482 1.00 0.00 C ATOM 588 CH2 TRP A 38 28.813 -4.458 -22.861 1.00 0.00 C ATOM 0 H TRP A 38 31.030 -7.879 -18.809 1.00 0.00 H new ATOM 0 HA TRP A 38 31.622 -10.569 -19.892 1.00 0.00 H new ATOM 0 HB2 TRP A 38 31.014 -9.136 -22.116 1.00 0.00 H new ATOM 0 HB3 TRP A 38 29.866 -10.161 -21.277 1.00 0.00 H new ATOM 0 HD1 TRP A 38 28.575 -8.607 -19.090 1.00 0.00 H new ATOM 0 HE1 TRP A 38 27.400 -6.320 -19.374 1.00 0.00 H new ATOM 0 HE3 TRP A 38 30.839 -7.134 -23.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 27.466 -4.198 -21.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 30.230 -4.954 -24.398 1.00 0.00 H new ATOM 0 HH2 TRP A 38 28.564 -3.507 -23.308 1.00 0.00 H new ATOM 599 N LEU A 39 33.715 -9.769 -21.015 1.00 0.00 N ATOM 600 CA LEU A 39 35.042 -9.343 -21.447 1.00 0.00 C ATOM 601 C LEU A 39 35.191 -9.475 -22.959 1.00 0.00 C ATOM 602 O LEU A 39 34.567 -10.334 -23.582 1.00 0.00 O ATOM 603 CB LEU A 39 36.119 -10.170 -20.743 1.00 0.00 C ATOM 604 CG LEU A 39 37.544 -10.007 -21.273 1.00 0.00 C ATOM 605 CD1 LEU A 39 38.091 -8.633 -20.921 1.00 0.00 C ATOM 606 CD2 LEU A 39 38.447 -11.100 -20.721 1.00 0.00 C ATOM 0 H LEU A 39 33.516 -10.756 -21.177 1.00 0.00 H new ATOM 0 HA LEU A 39 35.165 -8.294 -21.179 1.00 0.00 H new ATOM 0 HB2 LEU A 39 36.114 -9.910 -19.685 1.00 0.00 H new ATOM 0 HB3 LEU A 39 35.845 -11.223 -20.814 1.00 0.00 H new ATOM 0 HG LEU A 39 37.519 -10.098 -22.359 1.00 0.00 H new ATOM 0 HD11 LEU A 39 39.106 -8.536 -21.306 1.00 0.00 H new ATOM 0 HD12 LEU A 39 37.459 -7.865 -21.366 1.00 0.00 H new ATOM 0 HD13 LEU A 39 38.101 -8.512 -19.838 1.00 0.00 H new ATOM 0 HD21 LEU A 39 39.457 -10.968 -21.109 1.00 0.00 H new ATOM 0 HD22 LEU A 39 38.466 -11.041 -19.633 1.00 0.00 H new ATOM 0 HD23 LEU A 39 38.066 -12.075 -21.025 1.00 0.00 H new ATOM 618 N ALA A 40 36.024 -8.620 -23.544 1.00 0.00 N ATOM 619 CA ALA A 40 36.258 -8.644 -24.982 1.00 0.00 C ATOM 620 C ALA A 40 37.566 -9.356 -25.313 1.00 0.00 C ATOM 621 O ALA A 40 37.699 -9.969 -26.373 1.00 0.00 O ATOM 622 CB ALA A 40 36.270 -7.228 -25.539 1.00 0.00 C ATOM 0 H ALA A 40 36.548 -7.902 -23.043 1.00 0.00 H new ATOM 0 HA ALA A 40 35.444 -9.199 -25.449 1.00 0.00 H new ATOM 0 HB1 ALA A 40 36.446 -7.261 -26.614 1.00 0.00 H new ATOM 0 HB2 ALA A 40 35.309 -6.752 -25.343 1.00 0.00 H new ATOM 0 HB3 ALA A 40 37.064 -6.655 -25.059 1.00 0.00 H new ATOM 628 N ASP A 41 38.528 -9.271 -24.401 1.00 0.00 N ATOM 629 CA ASP A 41 39.825 -9.907 -24.597 1.00 0.00 C ATOM 630 C ASP A 41 39.800 -11.353 -24.112 1.00 0.00 C ATOM 631 O ASP A 41 40.100 -11.634 -22.952 1.00 0.00 O ATOM 632 CB ASP A 41 40.915 -9.128 -23.859 1.00 0.00 C ATOM 633 CG ASP A 41 42.290 -9.743 -24.040 1.00 0.00 C ATOM 634 OD1 ASP A 41 42.410 -10.703 -24.829 1.00 0.00 O ATOM 635 OD2 ASP A 41 43.244 -9.264 -23.393 1.00 0.00 O ATOM 0 H ASP A 41 38.434 -8.768 -23.519 1.00 0.00 H new ATOM 0 HA ASP A 41 40.046 -9.904 -25.664 1.00 0.00 H new ATOM 0 HB2 ASP A 41 40.930 -8.099 -24.220 1.00 0.00 H new ATOM 0 HB3 ASP A 41 40.674 -9.090 -22.797 1.00 0.00 H new ATOM 640 N GLU A 42 39.438 -12.266 -25.009 1.00 0.00 N ATOM 641 CA GLU A 42 39.372 -13.683 -24.671 1.00 0.00 C ATOM 642 C GLU A 42 40.643 -14.132 -23.956 1.00 0.00 C ATOM 643 O GLU A 42 40.586 -14.857 -22.963 1.00 0.00 O ATOM 644 CB GLU A 42 39.160 -14.522 -25.933 1.00 0.00 C ATOM 645 CG GLU A 42 37.866 -14.207 -26.663 1.00 0.00 C ATOM 646 CD GLU A 42 37.958 -14.469 -28.154 1.00 0.00 C ATOM 647 OE1 GLU A 42 38.924 -13.990 -28.783 1.00 0.00 O ATOM 648 OE2 GLU A 42 37.063 -15.155 -28.691 1.00 0.00 O ATOM 0 H GLU A 42 39.186 -12.050 -25.974 1.00 0.00 H new ATOM 0 HA GLU A 42 38.527 -13.831 -23.999 1.00 0.00 H new ATOM 0 HB2 GLU A 42 39.998 -14.361 -26.611 1.00 0.00 H new ATOM 0 HB3 GLU A 42 39.167 -15.578 -25.663 1.00 0.00 H new ATOM 0 HG2 GLU A 42 37.060 -14.808 -26.241 1.00 0.00 H new ATOM 0 HG3 GLU A 42 37.605 -13.162 -26.497 1.00 0.00 H new ATOM 655 N SER A 43 41.789 -13.696 -24.469 1.00 0.00 N ATOM 656 CA SER A 43 43.075 -14.056 -23.882 1.00 0.00 C ATOM 657 C SER A 43 43.132 -13.655 -22.411 1.00 0.00 C ATOM 658 O SER A 43 43.758 -14.333 -21.597 1.00 0.00 O ATOM 659 CB SER A 43 44.215 -13.385 -24.651 1.00 0.00 C ATOM 660 OG SER A 43 43.879 -13.215 -26.017 1.00 0.00 O ATOM 0 H SER A 43 41.854 -13.093 -25.289 1.00 0.00 H new ATOM 0 HA SER A 43 43.188 -15.138 -23.949 1.00 0.00 H new ATOM 0 HB2 SER A 43 44.438 -12.416 -24.205 1.00 0.00 H new ATOM 0 HB3 SER A 43 45.119 -13.989 -24.568 1.00 0.00 H new ATOM 0 HG SER A 43 44.623 -12.783 -26.486 1.00 0.00 H new ATOM 666 N GLN A 44 42.476 -12.548 -22.080 1.00 0.00 N ATOM 667 CA GLN A 44 42.453 -12.056 -20.708 1.00 0.00 C ATOM 668 C GLN A 44 41.353 -12.739 -19.903 1.00 0.00 C ATOM 669 O GLN A 44 41.337 -12.673 -18.674 1.00 0.00 O ATOM 670 CB GLN A 44 42.247 -10.540 -20.691 1.00 0.00 C ATOM 671 CG GLN A 44 43.539 -9.752 -20.556 1.00 0.00 C ATOM 672 CD GLN A 44 43.335 -8.261 -20.737 1.00 0.00 C ATOM 673 OE1 GLN A 44 42.308 -7.821 -21.254 1.00 0.00 O ATOM 674 NE2 GLN A 44 44.315 -7.473 -20.310 1.00 0.00 N ATOM 0 H GLN A 44 41.954 -11.975 -22.743 1.00 0.00 H new ATOM 0 HA GLN A 44 43.413 -12.291 -20.249 1.00 0.00 H new ATOM 0 HB2 GLN A 44 41.743 -10.240 -21.609 1.00 0.00 H new ATOM 0 HB3 GLN A 44 41.585 -10.281 -19.865 1.00 0.00 H new ATOM 0 HG2 GLN A 44 43.973 -9.939 -19.574 1.00 0.00 H new ATOM 0 HG3 GLN A 44 44.257 -10.109 -21.295 1.00 0.00 H new ATOM 0 HE21 GLN A 44 45.149 -7.880 -19.887 1.00 0.00 H new ATOM 0 HE22 GLN A 44 44.233 -6.461 -20.405 1.00 0.00 H new ATOM 683 N ALA A 45 40.434 -13.396 -20.604 1.00 0.00 N ATOM 684 CA ALA A 45 39.332 -14.094 -19.954 1.00 0.00 C ATOM 685 C ALA A 45 39.843 -15.055 -18.886 1.00 0.00 C ATOM 686 O ALA A 45 39.232 -15.203 -17.828 1.00 0.00 O ATOM 687 CB ALA A 45 38.499 -14.842 -20.985 1.00 0.00 C ATOM 0 H ALA A 45 40.431 -13.459 -21.622 1.00 0.00 H new ATOM 0 HA ALA A 45 38.703 -13.350 -19.465 1.00 0.00 H new ATOM 0 HB1 ALA A 45 37.680 -15.359 -20.485 1.00 0.00 H new ATOM 0 HB2 ALA A 45 38.094 -14.134 -21.709 1.00 0.00 H new ATOM 0 HB3 ALA A 45 39.126 -15.570 -21.501 1.00 0.00 H new ATOM 693 N GLU A 46 40.967 -15.705 -19.170 1.00 0.00 N ATOM 694 CA GLU A 46 41.558 -16.653 -18.234 1.00 0.00 C ATOM 695 C GLU A 46 42.018 -15.946 -16.962 1.00 0.00 C ATOM 696 O GLU A 46 41.690 -16.367 -15.852 1.00 0.00 O ATOM 697 CB GLU A 46 42.740 -17.376 -18.883 1.00 0.00 C ATOM 698 CG GLU A 46 42.447 -17.883 -20.285 1.00 0.00 C ATOM 699 CD GLU A 46 43.534 -18.798 -20.814 1.00 0.00 C ATOM 700 OE1 GLU A 46 44.248 -19.407 -19.990 1.00 0.00 O ATOM 701 OE2 GLU A 46 43.671 -18.905 -22.051 1.00 0.00 O ATOM 0 H GLU A 46 41.486 -15.592 -20.041 1.00 0.00 H new ATOM 0 HA GLU A 46 40.795 -17.385 -17.968 1.00 0.00 H new ATOM 0 HB2 GLU A 46 43.593 -16.698 -18.922 1.00 0.00 H new ATOM 0 HB3 GLU A 46 43.030 -18.218 -18.254 1.00 0.00 H new ATOM 0 HG2 GLU A 46 41.497 -18.417 -20.283 1.00 0.00 H new ATOM 0 HG3 GLU A 46 42.333 -17.033 -20.958 1.00 0.00 H new ATOM 708 N ARG A 47 42.779 -14.870 -17.132 1.00 0.00 N ATOM 709 CA ARG A 47 43.286 -14.105 -15.998 1.00 0.00 C ATOM 710 C ARG A 47 42.139 -13.605 -15.124 1.00 0.00 C ATOM 711 O ARG A 47 42.088 -13.888 -13.927 1.00 0.00 O ATOM 712 CB ARG A 47 44.122 -12.922 -16.487 1.00 0.00 C ATOM 713 CG ARG A 47 44.807 -12.156 -15.367 1.00 0.00 C ATOM 714 CD ARG A 47 44.103 -10.839 -15.082 1.00 0.00 C ATOM 715 NE ARG A 47 44.632 -10.182 -13.889 1.00 0.00 N ATOM 716 CZ ARG A 47 45.835 -9.624 -13.830 1.00 0.00 C ATOM 717 NH1 ARG A 47 46.631 -9.641 -14.891 1.00 0.00 N ATOM 718 NH2 ARG A 47 46.245 -9.046 -12.708 1.00 0.00 N ATOM 0 H ARG A 47 43.058 -14.508 -18.044 1.00 0.00 H new ATOM 0 HA ARG A 47 43.916 -14.763 -15.400 1.00 0.00 H new ATOM 0 HB2 ARG A 47 44.878 -13.285 -17.183 1.00 0.00 H new ATOM 0 HB3 ARG A 47 43.480 -12.239 -17.043 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.821 -12.765 -14.463 1.00 0.00 H new ATOM 0 HG3 ARG A 47 45.845 -11.964 -15.638 1.00 0.00 H new ATOM 0 HD2 ARG A 47 44.213 -10.176 -15.940 1.00 0.00 H new ATOM 0 HD3 ARG A 47 43.036 -11.019 -14.954 1.00 0.00 H new ATOM 0 HE ARG A 47 44.045 -10.150 -13.056 1.00 0.00 H new ATOM 0 HH11 ARG A 47 46.319 -10.084 -15.755 1.00 0.00 H new ATOM 0 HH12 ARG A 47 47.555 -9.211 -14.842 1.00 0.00 H new ATOM 0 HH21 ARG A 47 45.636 -9.030 -11.890 1.00 0.00 H new ATOM 0 HH22 ARG A 47 47.170 -8.617 -12.663 1.00 0.00 H new ATOM 732 N VAL A 48 41.221 -12.859 -15.731 1.00 0.00 N ATOM 733 CA VAL A 48 40.075 -12.320 -15.009 1.00 0.00 C ATOM 734 C VAL A 48 39.301 -13.426 -14.302 1.00 0.00 C ATOM 735 O VAL A 48 38.804 -13.238 -13.191 1.00 0.00 O ATOM 736 CB VAL A 48 39.122 -11.564 -15.954 1.00 0.00 C ATOM 737 CG1 VAL A 48 39.814 -10.349 -16.551 1.00 0.00 C ATOM 738 CG2 VAL A 48 38.613 -12.490 -17.048 1.00 0.00 C ATOM 0 H VAL A 48 41.249 -12.614 -16.721 1.00 0.00 H new ATOM 0 HA VAL A 48 40.467 -11.624 -14.267 1.00 0.00 H new ATOM 0 HB VAL A 48 38.266 -11.216 -15.376 1.00 0.00 H new ATOM 0 HG11 VAL A 48 39.125 -9.828 -17.216 1.00 0.00 H new ATOM 0 HG12 VAL A 48 40.124 -9.677 -15.751 1.00 0.00 H new ATOM 0 HG13 VAL A 48 40.690 -10.670 -17.115 1.00 0.00 H new ATOM 0 HG21 VAL A 48 37.941 -11.940 -17.707 1.00 0.00 H new ATOM 0 HG22 VAL A 48 39.456 -12.870 -17.625 1.00 0.00 H new ATOM 0 HG23 VAL A 48 38.076 -13.325 -16.597 1.00 0.00 H new ATOM 748 N ARG A 49 39.202 -14.581 -14.952 1.00 0.00 N ATOM 749 CA ARG A 49 38.487 -15.718 -14.386 1.00 0.00 C ATOM 750 C ARG A 49 39.104 -16.140 -13.055 1.00 0.00 C ATOM 751 O ARG A 49 38.409 -16.250 -12.045 1.00 0.00 O ATOM 752 CB ARG A 49 38.503 -16.895 -15.363 1.00 0.00 C ATOM 753 CG ARG A 49 37.271 -16.967 -16.250 1.00 0.00 C ATOM 754 CD ARG A 49 37.589 -17.596 -17.597 1.00 0.00 C ATOM 755 NE ARG A 49 36.788 -18.791 -17.847 1.00 0.00 N ATOM 756 CZ ARG A 49 36.954 -19.580 -18.902 1.00 0.00 C ATOM 757 NH1 ARG A 49 37.889 -19.303 -19.801 1.00 0.00 N ATOM 758 NH2 ARG A 49 36.186 -20.650 -19.060 1.00 0.00 N ATOM 0 H ARG A 49 39.608 -14.754 -15.871 1.00 0.00 H new ATOM 0 HA ARG A 49 37.455 -15.415 -14.209 1.00 0.00 H new ATOM 0 HB2 ARG A 49 39.390 -16.822 -15.993 1.00 0.00 H new ATOM 0 HB3 ARG A 49 38.589 -17.824 -14.799 1.00 0.00 H new ATOM 0 HG2 ARG A 49 36.495 -17.548 -15.750 1.00 0.00 H new ATOM 0 HG3 ARG A 49 36.871 -15.964 -16.401 1.00 0.00 H new ATOM 0 HD2 ARG A 49 37.410 -16.868 -18.388 1.00 0.00 H new ATOM 0 HD3 ARG A 49 38.647 -17.855 -17.635 1.00 0.00 H new ATOM 0 HE ARG A 49 36.061 -19.033 -17.174 1.00 0.00 H new ATOM 0 HH11 ARG A 49 38.483 -18.482 -19.683 1.00 0.00 H new ATOM 0 HH12 ARG A 49 38.014 -19.911 -20.610 1.00 0.00 H new ATOM 0 HH21 ARG A 49 35.467 -20.868 -18.370 1.00 0.00 H new ATOM 0 HH22 ARG A 49 36.315 -21.255 -19.871 1.00 0.00 H new ATOM 772 N ALA A 50 40.412 -16.375 -13.063 1.00 0.00 N ATOM 773 CA ALA A 50 41.122 -16.783 -11.857 1.00 0.00 C ATOM 774 C ALA A 50 40.975 -15.740 -10.754 1.00 0.00 C ATOM 775 O ALA A 50 40.513 -16.046 -9.656 1.00 0.00 O ATOM 776 CB ALA A 50 42.592 -17.023 -12.166 1.00 0.00 C ATOM 0 H ALA A 50 41.001 -16.290 -13.891 1.00 0.00 H new ATOM 0 HA ALA A 50 40.680 -17.714 -11.502 1.00 0.00 H new ATOM 0 HB1 ALA A 50 43.110 -17.327 -11.256 1.00 0.00 H new ATOM 0 HB2 ALA A 50 42.683 -17.809 -12.915 1.00 0.00 H new ATOM 0 HB3 ALA A 50 43.038 -16.105 -12.548 1.00 0.00 H new ATOM 782 N GLU A 51 41.372 -14.507 -11.055 1.00 0.00 N ATOM 783 CA GLU A 51 41.285 -13.420 -10.087 1.00 0.00 C ATOM 784 C GLU A 51 39.858 -13.262 -9.573 1.00 0.00 C ATOM 785 O GLU A 51 39.626 -13.181 -8.366 1.00 0.00 O ATOM 786 CB GLU A 51 41.761 -12.108 -10.716 1.00 0.00 C ATOM 787 CG GLU A 51 43.154 -12.191 -11.316 1.00 0.00 C ATOM 788 CD GLU A 51 44.095 -13.047 -10.490 1.00 0.00 C ATOM 789 OE1 GLU A 51 44.154 -12.846 -9.259 1.00 0.00 O ATOM 790 OE2 GLU A 51 44.772 -13.918 -11.076 1.00 0.00 O ATOM 0 H GLU A 51 41.756 -14.237 -11.960 1.00 0.00 H new ATOM 0 HA GLU A 51 41.931 -13.666 -9.244 1.00 0.00 H new ATOM 0 HB2 GLU A 51 41.057 -11.811 -11.493 1.00 0.00 H new ATOM 0 HB3 GLU A 51 41.747 -11.325 -9.958 1.00 0.00 H new ATOM 0 HG2 GLU A 51 43.087 -12.600 -12.324 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.567 -11.186 -11.406 1.00 0.00 H new ATOM 797 N LEU A 52 38.904 -13.218 -10.496 1.00 0.00 N ATOM 798 CA LEU A 52 37.498 -13.069 -10.138 1.00 0.00 C ATOM 799 C LEU A 52 37.095 -14.089 -9.078 1.00 0.00 C ATOM 800 O LEU A 52 36.511 -13.737 -8.053 1.00 0.00 O ATOM 801 CB LEU A 52 36.615 -13.229 -11.377 1.00 0.00 C ATOM 802 CG LEU A 52 35.107 -13.142 -11.143 1.00 0.00 C ATOM 803 CD1 LEU A 52 34.547 -11.861 -11.743 1.00 0.00 C ATOM 804 CD2 LEU A 52 34.405 -14.359 -11.727 1.00 0.00 C ATOM 0 H LEU A 52 39.079 -13.283 -11.499 1.00 0.00 H new ATOM 0 HA LEU A 52 37.358 -12.069 -9.727 1.00 0.00 H new ATOM 0 HB2 LEU A 52 36.895 -12.462 -12.099 1.00 0.00 H new ATOM 0 HB3 LEU A 52 36.836 -14.194 -11.834 1.00 0.00 H new ATOM 0 HG LEU A 52 34.926 -13.125 -10.068 1.00 0.00 H new ATOM 0 HD11 LEU A 52 33.472 -11.816 -11.567 1.00 0.00 H new ATOM 0 HD12 LEU A 52 35.027 -11.001 -11.277 1.00 0.00 H new ATOM 0 HD13 LEU A 52 34.740 -11.847 -12.816 1.00 0.00 H new ATOM 0 HD21 LEU A 52 33.332 -14.280 -11.551 1.00 0.00 H new ATOM 0 HD22 LEU A 52 34.594 -14.408 -12.799 1.00 0.00 H new ATOM 0 HD23 LEU A 52 34.785 -15.262 -11.250 1.00 0.00 H new ATOM 816 N ALA A 53 37.414 -15.354 -9.330 1.00 0.00 N ATOM 817 CA ALA A 53 37.089 -16.425 -8.396 1.00 0.00 C ATOM 818 C ALA A 53 37.746 -16.189 -7.041 1.00 0.00 C ATOM 819 O ALA A 53 37.117 -16.360 -5.997 1.00 0.00 O ATOM 820 CB ALA A 53 37.517 -17.770 -8.965 1.00 0.00 C ATOM 0 H ALA A 53 37.897 -15.662 -10.174 1.00 0.00 H new ATOM 0 HA ALA A 53 36.009 -16.432 -8.251 1.00 0.00 H new ATOM 0 HB1 ALA A 53 37.268 -18.560 -8.257 1.00 0.00 H new ATOM 0 HB2 ALA A 53 36.997 -17.949 -9.906 1.00 0.00 H new ATOM 0 HB3 ALA A 53 38.593 -17.765 -9.140 1.00 0.00 H new ATOM 826 N ARG A 54 39.016 -15.796 -7.064 1.00 0.00 N ATOM 827 CA ARG A 54 39.759 -15.538 -5.836 1.00 0.00 C ATOM 828 C ARG A 54 39.220 -14.300 -5.125 1.00 0.00 C ATOM 829 O ARG A 54 39.442 -14.113 -3.928 1.00 0.00 O ATOM 830 CB ARG A 54 41.246 -15.355 -6.144 1.00 0.00 C ATOM 831 CG ARG A 54 41.924 -16.621 -6.643 1.00 0.00 C ATOM 832 CD ARG A 54 43.242 -16.310 -7.336 1.00 0.00 C ATOM 833 NE ARG A 54 44.373 -16.959 -6.678 1.00 0.00 N ATOM 834 CZ ARG A 54 45.616 -16.919 -7.145 1.00 0.00 C ATOM 835 NH1 ARG A 54 45.886 -16.266 -8.266 1.00 0.00 N ATOM 836 NH2 ARG A 54 46.592 -17.534 -6.489 1.00 0.00 N ATOM 0 H ARG A 54 39.552 -15.649 -7.920 1.00 0.00 H new ATOM 0 HA ARG A 54 39.634 -16.398 -5.178 1.00 0.00 H new ATOM 0 HB2 ARG A 54 41.360 -14.572 -6.894 1.00 0.00 H new ATOM 0 HB3 ARG A 54 41.755 -15.011 -5.244 1.00 0.00 H new ATOM 0 HG2 ARG A 54 42.102 -17.294 -5.805 1.00 0.00 H new ATOM 0 HG3 ARG A 54 41.262 -17.142 -7.335 1.00 0.00 H new ATOM 0 HD2 ARG A 54 43.191 -16.636 -8.375 1.00 0.00 H new ATOM 0 HD3 ARG A 54 43.400 -15.232 -7.348 1.00 0.00 H new ATOM 0 HE ARG A 54 44.199 -17.471 -5.813 1.00 0.00 H new ATOM 0 HH11 ARG A 54 45.138 -15.792 -8.773 1.00 0.00 H new ATOM 0 HH12 ARG A 54 46.841 -16.237 -8.622 1.00 0.00 H new ATOM 0 HH21 ARG A 54 46.388 -18.038 -5.626 1.00 0.00 H new ATOM 0 HH22 ARG A 54 47.546 -17.503 -6.848 1.00 0.00 H new ATOM 850 N PHE A 55 38.511 -13.458 -5.869 1.00 0.00 N ATOM 851 CA PHE A 55 37.942 -12.237 -5.309 1.00 0.00 C ATOM 852 C PHE A 55 36.550 -12.497 -4.741 1.00 0.00 C ATOM 853 O PHE A 55 36.209 -12.016 -3.659 1.00 0.00 O ATOM 854 CB PHE A 55 37.872 -11.145 -6.379 1.00 0.00 C ATOM 855 CG PHE A 55 37.939 -9.753 -5.819 1.00 0.00 C ATOM 856 CD1 PHE A 55 36.986 -9.309 -4.916 1.00 0.00 C ATOM 857 CD2 PHE A 55 38.954 -8.888 -6.196 1.00 0.00 C ATOM 858 CE1 PHE A 55 37.045 -8.028 -4.401 1.00 0.00 C ATOM 859 CE2 PHE A 55 39.018 -7.606 -5.683 1.00 0.00 C ATOM 860 CZ PHE A 55 38.062 -7.176 -4.783 1.00 0.00 C ATOM 0 H PHE A 55 38.317 -13.598 -6.860 1.00 0.00 H new ATOM 0 HA PHE A 55 38.590 -11.902 -4.499 1.00 0.00 H new ATOM 0 HB2 PHE A 55 38.692 -11.285 -7.084 1.00 0.00 H new ATOM 0 HB3 PHE A 55 36.945 -11.258 -6.942 1.00 0.00 H new ATOM 0 HD1 PHE A 55 36.189 -9.971 -4.612 1.00 0.00 H new ATOM 0 HD2 PHE A 55 39.704 -9.219 -6.899 1.00 0.00 H new ATOM 0 HE1 PHE A 55 36.295 -7.693 -3.699 1.00 0.00 H new ATOM 0 HE2 PHE A 55 39.814 -6.942 -5.985 1.00 0.00 H new ATOM 0 HZ PHE A 55 38.110 -6.176 -4.379 1.00 0.00 H new ATOM 989 N MET B 1 33.527 -11.530 -27.692 1.00 0.00 N ATOM 990 CA MET B 1 33.065 -11.177 -26.354 1.00 0.00 C ATOM 991 C MET B 1 32.688 -12.425 -25.563 1.00 0.00 C ATOM 992 O MET B 1 31.821 -13.196 -25.976 1.00 0.00 O ATOM 993 CB MET B 1 31.866 -10.231 -26.439 1.00 0.00 C ATOM 994 CG MET B 1 32.193 -8.892 -27.081 1.00 0.00 C ATOM 995 SD MET B 1 31.858 -7.498 -25.988 1.00 0.00 S ATOM 996 CE MET B 1 32.896 -7.908 -24.587 1.00 0.00 C ATOM 0 H1 MET B 1 34.070 -10.738 -28.092 1.00 0.00 H new ATOM 0 H2 MET B 1 34.133 -12.373 -27.639 1.00 0.00 H new ATOM 0 H3 MET B 1 32.708 -11.731 -28.300 1.00 0.00 H new ATOM 0 HA MET B 1 33.880 -10.673 -25.836 1.00 0.00 H new ATOM 0 HB2 MET B 1 31.072 -10.714 -27.009 1.00 0.00 H new ATOM 0 HB3 MET B 1 31.478 -10.058 -25.435 1.00 0.00 H new ATOM 0 HG2 MET B 1 33.244 -8.879 -27.369 1.00 0.00 H new ATOM 0 HG3 MET B 1 31.611 -8.780 -27.995 1.00 0.00 H new ATOM 0 HE1 MET B 1 33.342 -6.998 -24.186 1.00 0.00 H new ATOM 0 HE2 MET B 1 32.293 -8.387 -23.815 1.00 0.00 H new ATOM 0 HE3 MET B 1 33.685 -8.589 -24.906 1.00 0.00 H new ATOM 1006 N LEU B 2 33.343 -12.618 -24.423 1.00 0.00 N ATOM 1007 CA LEU B 2 33.077 -13.773 -23.573 1.00 0.00 C ATOM 1008 C LEU B 2 32.616 -13.334 -22.187 1.00 0.00 C ATOM 1009 O LEU B 2 33.341 -12.643 -21.471 1.00 0.00 O ATOM 1010 CB LEU B 2 34.328 -14.644 -23.455 1.00 0.00 C ATOM 1011 CG LEU B 2 34.111 -16.152 -23.588 1.00 0.00 C ATOM 1012 CD1 LEU B 2 35.431 -16.895 -23.451 1.00 0.00 C ATOM 1013 CD2 LEU B 2 33.112 -16.641 -22.550 1.00 0.00 C ATOM 0 H LEU B 2 34.062 -11.989 -24.066 1.00 0.00 H new ATOM 0 HA LEU B 2 32.279 -14.356 -24.034 1.00 0.00 H new ATOM 0 HB2 LEU B 2 35.038 -14.330 -24.220 1.00 0.00 H new ATOM 0 HB3 LEU B 2 34.793 -14.448 -22.489 1.00 0.00 H new ATOM 0 HG LEU B 2 33.704 -16.355 -24.579 1.00 0.00 H new ATOM 0 HD11 LEU B 2 35.257 -17.967 -23.548 1.00 0.00 H new ATOM 0 HD12 LEU B 2 36.116 -16.566 -24.232 1.00 0.00 H new ATOM 0 HD13 LEU B 2 35.867 -16.685 -22.474 1.00 0.00 H new ATOM 0 HD21 LEU B 2 32.970 -17.716 -22.660 1.00 0.00 H new ATOM 0 HD22 LEU B 2 33.490 -16.425 -21.551 1.00 0.00 H new ATOM 0 HD23 LEU B 2 32.159 -16.133 -22.695 1.00 0.00 H new ATOM 1025 N MET B 3 31.408 -13.742 -21.814 1.00 0.00 N ATOM 1026 CA MET B 3 30.852 -13.393 -20.511 1.00 0.00 C ATOM 1027 C MET B 3 31.762 -13.876 -19.386 1.00 0.00 C ATOM 1028 O MET B 3 32.009 -15.074 -19.246 1.00 0.00 O ATOM 1029 CB MET B 3 29.457 -13.998 -20.349 1.00 0.00 C ATOM 1030 CG MET B 3 28.477 -13.084 -19.631 1.00 0.00 C ATOM 1031 SD MET B 3 27.102 -13.985 -18.890 1.00 0.00 S ATOM 1032 CE MET B 3 27.151 -13.357 -17.213 1.00 0.00 C ATOM 0 H MET B 3 30.795 -14.314 -22.395 1.00 0.00 H new ATOM 0 HA MET B 3 30.777 -12.307 -20.454 1.00 0.00 H new ATOM 0 HB2 MET B 3 29.059 -14.241 -21.334 1.00 0.00 H new ATOM 0 HB3 MET B 3 29.538 -14.935 -19.798 1.00 0.00 H new ATOM 0 HG2 MET B 3 29.005 -12.531 -18.854 1.00 0.00 H new ATOM 0 HG3 MET B 3 28.087 -12.350 -20.336 1.00 0.00 H new ATOM 0 HE1 MET B 3 27.081 -14.188 -16.511 1.00 0.00 H new ATOM 0 HE2 MET B 3 28.088 -12.823 -17.052 1.00 0.00 H new ATOM 0 HE3 MET B 3 26.314 -12.677 -17.054 1.00 0.00 H new ATOM 1042 N ILE B 4 32.257 -12.936 -18.587 1.00 0.00 N ATOM 1043 CA ILE B 4 33.138 -13.267 -17.474 1.00 0.00 C ATOM 1044 C ILE B 4 32.353 -13.858 -16.308 1.00 0.00 C ATOM 1045 O ILE B 4 32.722 -14.897 -15.759 1.00 0.00 O ATOM 1046 CB ILE B 4 33.912 -12.030 -16.982 1.00 0.00 C ATOM 1047 CG1 ILE B 4 34.843 -11.513 -18.081 1.00 0.00 C ATOM 1048 CG2 ILE B 4 34.702 -12.364 -15.725 1.00 0.00 C ATOM 1049 CD1 ILE B 4 35.766 -12.574 -18.639 1.00 0.00 C ATOM 0 H ILE B 4 32.063 -11.940 -18.690 1.00 0.00 H new ATOM 0 HA ILE B 4 33.848 -14.007 -17.843 1.00 0.00 H new ATOM 0 HB ILE B 4 33.196 -11.245 -16.739 1.00 0.00 H new ATOM 0 HG12 ILE B 4 34.242 -11.103 -18.892 1.00 0.00 H new ATOM 0 HG13 ILE B 4 35.442 -10.694 -17.683 1.00 0.00 H new ATOM 0 HG21 ILE B 4 35.244 -11.479 -15.390 1.00 0.00 H new ATOM 0 HG22 ILE B 4 34.018 -12.689 -14.941 1.00 0.00 H new ATOM 0 HG23 ILE B 4 35.411 -13.163 -15.942 1.00 0.00 H new ATOM 0 HD11 ILE B 4 36.397 -12.137 -19.413 1.00 0.00 H new ATOM 0 HD12 ILE B 4 36.393 -12.968 -17.839 1.00 0.00 H new ATOM 0 HD13 ILE B 4 35.174 -13.383 -19.067 1.00 0.00 H new ATOM 1061 N THR B 5 31.265 -13.190 -15.934 1.00 0.00 N ATOM 1062 CA THR B 5 30.427 -13.649 -14.834 1.00 0.00 C ATOM 1063 C THR B 5 29.194 -12.766 -14.677 1.00 0.00 C ATOM 1064 O THR B 5 29.054 -11.752 -15.360 1.00 0.00 O ATOM 1065 CB THR B 5 31.204 -13.667 -13.505 1.00 0.00 C ATOM 1066 OG1 THR B 5 30.445 -14.352 -12.502 1.00 0.00 O ATOM 1067 CG2 THR B 5 31.509 -12.251 -13.038 1.00 0.00 C ATOM 0 H THR B 5 30.944 -12.329 -16.378 1.00 0.00 H new ATOM 0 HA THR B 5 30.115 -14.665 -15.077 1.00 0.00 H new ATOM 0 HB THR B 5 32.146 -14.191 -13.668 1.00 0.00 H new ATOM 0 HG1 THR B 5 30.947 -14.360 -11.661 1.00 0.00 H new ATOM 0 HG21 THR B 5 32.058 -12.289 -12.097 1.00 0.00 H new ATOM 0 HG22 THR B 5 32.112 -11.742 -13.790 1.00 0.00 H new ATOM 0 HG23 THR B 5 30.576 -11.707 -12.892 1.00 0.00 H new ATOM 1075 N SER B 6 28.302 -13.158 -13.773 1.00 0.00 N ATOM 1076 CA SER B 6 27.079 -12.403 -13.528 1.00 0.00 C ATOM 1077 C SER B 6 26.961 -12.022 -12.056 1.00 0.00 C ATOM 1078 O SER B 6 27.155 -12.855 -11.170 1.00 0.00 O ATOM 1079 CB SER B 6 25.857 -13.219 -13.956 1.00 0.00 C ATOM 1080 OG SER B 6 25.969 -14.566 -13.529 1.00 0.00 O ATOM 0 H SER B 6 28.403 -13.994 -13.198 1.00 0.00 H new ATOM 0 HA SER B 6 27.121 -11.488 -14.119 1.00 0.00 H new ATOM 0 HB2 SER B 6 24.954 -12.775 -13.537 1.00 0.00 H new ATOM 0 HB3 SER B 6 25.755 -13.185 -15.041 1.00 0.00 H new ATOM 0 HG SER B 6 25.176 -15.066 -13.813 1.00 0.00 H new ATOM 1086 N PHE B 7 26.640 -10.758 -11.802 1.00 0.00 N ATOM 1087 CA PHE B 7 26.497 -10.265 -10.437 1.00 0.00 C ATOM 1088 C PHE B 7 25.133 -9.610 -10.236 1.00 0.00 C ATOM 1089 O PHE B 7 24.457 -9.251 -11.200 1.00 0.00 O ATOM 1090 CB PHE B 7 27.608 -9.264 -10.114 1.00 0.00 C ATOM 1091 CG PHE B 7 28.964 -9.896 -9.980 1.00 0.00 C ATOM 1092 CD1 PHE B 7 29.125 -11.079 -9.277 1.00 0.00 C ATOM 1093 CD2 PHE B 7 30.077 -9.308 -10.558 1.00 0.00 C ATOM 1094 CE1 PHE B 7 30.371 -11.662 -9.151 1.00 0.00 C ATOM 1095 CE2 PHE B 7 31.326 -9.887 -10.436 1.00 0.00 C ATOM 1096 CZ PHE B 7 31.473 -11.066 -9.733 1.00 0.00 C ATOM 0 H PHE B 7 26.474 -10.056 -12.523 1.00 0.00 H new ATOM 0 HA PHE B 7 26.576 -11.116 -9.760 1.00 0.00 H new ATOM 0 HB2 PHE B 7 27.644 -8.508 -10.898 1.00 0.00 H new ATOM 0 HB3 PHE B 7 27.363 -8.748 -9.185 1.00 0.00 H new ATOM 0 HD1 PHE B 7 28.266 -11.551 -8.822 1.00 0.00 H new ATOM 0 HD2 PHE B 7 29.968 -8.386 -11.110 1.00 0.00 H new ATOM 0 HE1 PHE B 7 30.483 -12.583 -8.598 1.00 0.00 H new ATOM 0 HE2 PHE B 7 32.186 -9.418 -10.890 1.00 0.00 H new ATOM 0 HZ PHE B 7 32.448 -11.522 -9.638 1.00 0.00 H new ATOM 1106 N ALA B 8 24.736 -9.459 -8.977 1.00 0.00 N ATOM 1107 CA ALA B 8 23.455 -8.846 -8.649 1.00 0.00 C ATOM 1108 C ALA B 8 23.643 -7.621 -7.761 1.00 0.00 C ATOM 1109 O ALA B 8 22.828 -7.349 -6.880 1.00 0.00 O ATOM 1110 CB ALA B 8 22.545 -9.858 -7.968 1.00 0.00 C ATOM 0 H ALA B 8 25.283 -9.753 -8.168 1.00 0.00 H new ATOM 0 HA ALA B 8 22.988 -8.520 -9.579 1.00 0.00 H new ATOM 0 HB1 ALA B 8 21.592 -9.387 -7.729 1.00 0.00 H new ATOM 0 HB2 ALA B 8 22.375 -10.702 -8.636 1.00 0.00 H new ATOM 0 HB3 ALA B 8 23.016 -10.211 -7.051 1.00 0.00 H new ATOM 1116 N ASN B 9 24.723 -6.884 -7.999 1.00 0.00 N ATOM 1117 CA ASN B 9 25.019 -5.687 -7.220 1.00 0.00 C ATOM 1118 C ASN B 9 25.982 -4.773 -7.971 1.00 0.00 C ATOM 1119 O ASN B 9 26.937 -5.223 -8.606 1.00 0.00 O ATOM 1120 CB ASN B 9 25.616 -6.071 -5.864 1.00 0.00 C ATOM 1121 CG ASN B 9 24.606 -5.967 -4.738 1.00 0.00 C ATOM 1122 OD1 ASN B 9 23.924 -4.952 -4.593 1.00 0.00 O ATOM 1123 ND2 ASN B 9 24.507 -7.018 -3.933 1.00 0.00 N ATOM 0 H ASN B 9 25.408 -7.095 -8.725 1.00 0.00 H new ATOM 0 HA ASN B 9 24.085 -5.148 -7.060 1.00 0.00 H new ATOM 0 HB2 ASN B 9 25.997 -7.091 -5.914 1.00 0.00 H new ATOM 0 HB3 ASN B 9 26.466 -5.423 -5.647 1.00 0.00 H new ATOM 0 HD21 ASN B 9 23.846 -7.005 -3.157 1.00 0.00 H new ATOM 0 HD22 ASN B 9 25.092 -7.838 -4.091 1.00 0.00 H new ATOM 1130 N PRO B 10 25.728 -3.458 -7.899 1.00 0.00 N ATOM 1131 CA PRO B 10 26.562 -2.453 -8.565 1.00 0.00 C ATOM 1132 C PRO B 10 27.938 -2.322 -7.921 1.00 0.00 C ATOM 1133 O PRO B 10 28.956 -2.292 -8.612 1.00 0.00 O ATOM 1134 CB PRO B 10 25.764 -1.158 -8.390 1.00 0.00 C ATOM 1135 CG PRO B 10 24.938 -1.384 -7.171 1.00 0.00 C ATOM 1136 CD PRO B 10 24.608 -2.852 -7.160 1.00 0.00 C ATOM 0 HA PRO B 10 26.759 -2.711 -9.605 1.00 0.00 H new ATOM 0 HB2 PRO B 10 26.424 -0.300 -8.267 1.00 0.00 H new ATOM 0 HB3 PRO B 10 25.139 -0.957 -9.260 1.00 0.00 H new ATOM 0 HG2 PRO B 10 25.484 -1.100 -6.271 1.00 0.00 H new ATOM 0 HG3 PRO B 10 24.031 -0.780 -7.197 1.00 0.00 H new ATOM 0 HD2 PRO B 10 24.539 -3.241 -6.144 1.00 0.00 H new ATOM 0 HD3 PRO B 10 23.652 -3.053 -7.643 1.00 0.00 H new ATOM 1144 N ARG B 11 27.961 -2.244 -6.595 1.00 0.00 N ATOM 1145 CA ARG B 11 29.212 -2.116 -5.859 1.00 0.00 C ATOM 1146 C ARG B 11 30.199 -3.205 -6.268 1.00 0.00 C ATOM 1147 O ARG B 11 31.360 -2.926 -6.566 1.00 0.00 O ATOM 1148 CB ARG B 11 28.953 -2.188 -4.353 1.00 0.00 C ATOM 1149 CG ARG B 11 27.755 -1.368 -3.901 1.00 0.00 C ATOM 1150 CD ARG B 11 27.892 -0.936 -2.449 1.00 0.00 C ATOM 1151 NE ARG B 11 28.073 0.507 -2.322 1.00 0.00 N ATOM 1152 CZ ARG B 11 28.518 1.098 -1.218 1.00 0.00 C ATOM 1153 NH1 ARG B 11 28.827 0.372 -0.153 1.00 0.00 N ATOM 1154 NH2 ARG B 11 28.656 2.417 -1.179 1.00 0.00 N ATOM 0 H ARG B 11 27.127 -2.267 -6.008 1.00 0.00 H new ATOM 0 HA ARG B 11 29.647 -1.146 -6.100 1.00 0.00 H new ATOM 0 HB2 ARG B 11 28.798 -3.229 -4.069 1.00 0.00 H new ATOM 0 HB3 ARG B 11 29.840 -1.842 -3.823 1.00 0.00 H new ATOM 0 HG2 ARG B 11 27.655 -0.488 -4.536 1.00 0.00 H new ATOM 0 HG3 ARG B 11 26.844 -1.954 -4.023 1.00 0.00 H new ATOM 0 HD2 ARG B 11 27.004 -1.240 -1.895 1.00 0.00 H new ATOM 0 HD3 ARG B 11 28.741 -1.449 -1.997 1.00 0.00 H new ATOM 0 HE ARG B 11 27.845 1.094 -3.125 1.00 0.00 H new ATOM 0 HH11 ARG B 11 28.723 -0.642 -0.180 1.00 0.00 H new ATOM 0 HH12 ARG B 11 29.168 0.828 0.693 1.00 0.00 H new ATOM 0 HH21 ARG B 11 28.420 2.979 -1.997 1.00 0.00 H new ATOM 0 HH22 ARG B 11 28.998 2.869 -0.331 1.00 0.00 H new ATOM 1168 N VAL B 12 29.728 -4.448 -6.281 1.00 0.00 N ATOM 1169 CA VAL B 12 30.567 -5.580 -6.654 1.00 0.00 C ATOM 1170 C VAL B 12 30.977 -5.501 -8.121 1.00 0.00 C ATOM 1171 O VAL B 12 32.161 -5.564 -8.449 1.00 0.00 O ATOM 1172 CB VAL B 12 29.848 -6.919 -6.406 1.00 0.00 C ATOM 1173 CG1 VAL B 12 30.755 -8.087 -6.760 1.00 0.00 C ATOM 1174 CG2 VAL B 12 29.382 -7.013 -4.960 1.00 0.00 C ATOM 0 H VAL B 12 28.769 -4.696 -6.037 1.00 0.00 H new ATOM 0 HA VAL B 12 31.457 -5.533 -6.027 1.00 0.00 H new ATOM 0 HB VAL B 12 28.970 -6.965 -7.051 1.00 0.00 H new ATOM 0 HG11 VAL B 12 30.229 -9.024 -6.578 1.00 0.00 H new ATOM 0 HG12 VAL B 12 31.033 -8.026 -7.812 1.00 0.00 H new ATOM 0 HG13 VAL B 12 31.654 -8.050 -6.144 1.00 0.00 H new ATOM 0 HG21 VAL B 12 28.876 -7.965 -4.802 1.00 0.00 H new ATOM 0 HG22 VAL B 12 30.243 -6.945 -4.295 1.00 0.00 H new ATOM 0 HG23 VAL B 12 28.693 -6.196 -4.746 1.00 0.00 H new ATOM 1184 N ALA B 13 29.989 -5.360 -8.998 1.00 0.00 N ATOM 1185 CA ALA B 13 30.246 -5.269 -10.430 1.00 0.00 C ATOM 1186 C ALA B 13 31.295 -4.204 -10.732 1.00 0.00 C ATOM 1187 O ALA B 13 32.323 -4.490 -11.345 1.00 0.00 O ATOM 1188 CB ALA B 13 28.957 -4.970 -11.180 1.00 0.00 C ATOM 0 H ALA B 13 29.003 -5.306 -8.742 1.00 0.00 H new ATOM 0 HA ALA B 13 30.634 -6.230 -10.766 1.00 0.00 H new ATOM 0 HB1 ALA B 13 29.164 -4.905 -12.248 1.00 0.00 H new ATOM 0 HB2 ALA B 13 28.237 -5.768 -10.998 1.00 0.00 H new ATOM 0 HB3 ALA B 13 28.545 -4.023 -10.832 1.00 0.00 H new ATOM 1194 N GLN B 14 31.028 -2.976 -10.299 1.00 0.00 N ATOM 1195 CA GLN B 14 31.949 -1.869 -10.526 1.00 0.00 C ATOM 1196 C GLN B 14 33.308 -2.153 -9.892 1.00 0.00 C ATOM 1197 O GLN B 14 34.344 -2.037 -10.545 1.00 0.00 O ATOM 1198 CB GLN B 14 31.370 -0.572 -9.959 1.00 0.00 C ATOM 1199 CG GLN B 14 32.275 0.634 -10.153 1.00 0.00 C ATOM 1200 CD GLN B 14 32.377 1.059 -11.605 1.00 0.00 C ATOM 1201 OE1 GLN B 14 31.369 1.339 -12.254 1.00 0.00 O ATOM 1202 NE2 GLN B 14 33.599 1.110 -12.123 1.00 0.00 N ATOM 0 H GLN B 14 30.182 -2.723 -9.789 1.00 0.00 H new ATOM 0 HA GLN B 14 32.086 -1.758 -11.602 1.00 0.00 H new ATOM 0 HB2 GLN B 14 30.409 -0.375 -10.434 1.00 0.00 H new ATOM 0 HB3 GLN B 14 31.178 -0.704 -8.894 1.00 0.00 H new ATOM 0 HG2 GLN B 14 31.896 1.467 -9.560 1.00 0.00 H new ATOM 0 HG3 GLN B 14 33.271 0.401 -9.776 1.00 0.00 H new ATOM 0 HE21 GLN B 14 34.407 0.869 -11.549 1.00 0.00 H new ATOM 0 HE22 GLN B 14 33.730 1.390 -13.095 1.00 0.00 H new ATOM 1211 N ALA B 15 33.294 -2.526 -8.617 1.00 0.00 N ATOM 1212 CA ALA B 15 34.524 -2.828 -7.896 1.00 0.00 C ATOM 1213 C ALA B 15 35.378 -3.831 -8.663 1.00 0.00 C ATOM 1214 O ALA B 15 36.581 -3.635 -8.835 1.00 0.00 O ATOM 1215 CB ALA B 15 34.205 -3.358 -6.506 1.00 0.00 C ATOM 0 H ALA B 15 32.444 -2.626 -8.062 1.00 0.00 H new ATOM 0 HA ALA B 15 35.094 -1.904 -7.799 1.00 0.00 H new ATOM 0 HB1 ALA B 15 35.133 -3.579 -5.979 1.00 0.00 H new ATOM 0 HB2 ALA B 15 33.643 -2.607 -5.951 1.00 0.00 H new ATOM 0 HB3 ALA B 15 33.610 -4.268 -6.591 1.00 0.00 H new ATOM 1221 N PHE B 16 34.748 -4.908 -9.122 1.00 0.00 N ATOM 1222 CA PHE B 16 35.451 -5.944 -9.871 1.00 0.00 C ATOM 1223 C PHE B 16 36.111 -5.362 -11.117 1.00 0.00 C ATOM 1224 O PHE B 16 37.331 -5.413 -11.269 1.00 0.00 O ATOM 1225 CB PHE B 16 34.484 -7.062 -10.266 1.00 0.00 C ATOM 1226 CG PHE B 16 34.516 -8.240 -9.335 1.00 0.00 C ATOM 1227 CD1 PHE B 16 33.993 -8.143 -8.056 1.00 0.00 C ATOM 1228 CD2 PHE B 16 35.069 -9.444 -9.739 1.00 0.00 C ATOM 1229 CE1 PHE B 16 34.022 -9.225 -7.197 1.00 0.00 C ATOM 1230 CE2 PHE B 16 35.101 -10.530 -8.885 1.00 0.00 C ATOM 1231 CZ PHE B 16 34.575 -10.421 -7.612 1.00 0.00 C ATOM 0 H PHE B 16 33.753 -5.086 -8.989 1.00 0.00 H new ATOM 0 HA PHE B 16 36.229 -6.356 -9.229 1.00 0.00 H new ATOM 0 HB2 PHE B 16 33.471 -6.661 -10.297 1.00 0.00 H new ATOM 0 HB3 PHE B 16 34.724 -7.399 -11.274 1.00 0.00 H new ATOM 0 HD1 PHE B 16 33.558 -7.211 -7.726 1.00 0.00 H new ATOM 0 HD2 PHE B 16 35.480 -9.535 -10.734 1.00 0.00 H new ATOM 0 HE1 PHE B 16 33.613 -9.136 -6.202 1.00 0.00 H new ATOM 0 HE2 PHE B 16 35.537 -11.463 -9.212 1.00 0.00 H new ATOM 0 HZ PHE B 16 34.596 -11.269 -6.943 1.00 0.00 H new ATOM 1241 N VAL B 17 35.294 -4.808 -12.008 1.00 0.00 N ATOM 1242 CA VAL B 17 35.797 -4.215 -13.241 1.00 0.00 C ATOM 1243 C VAL B 17 36.801 -3.106 -12.949 1.00 0.00 C ATOM 1244 O VAL B 17 37.618 -2.754 -13.800 1.00 0.00 O ATOM 1245 CB VAL B 17 34.651 -3.643 -14.097 1.00 0.00 C ATOM 1246 CG1 VAL B 17 33.640 -4.729 -14.432 1.00 0.00 C ATOM 1247 CG2 VAL B 17 33.980 -2.481 -13.379 1.00 0.00 C ATOM 0 H VAL B 17 34.281 -4.758 -11.898 1.00 0.00 H new ATOM 0 HA VAL B 17 36.292 -5.012 -13.796 1.00 0.00 H new ATOM 0 HB VAL B 17 35.070 -3.270 -15.032 1.00 0.00 H new ATOM 0 HG11 VAL B 17 32.838 -4.306 -15.037 1.00 0.00 H new ATOM 0 HG12 VAL B 17 34.133 -5.526 -14.989 1.00 0.00 H new ATOM 0 HG13 VAL B 17 33.223 -5.135 -13.510 1.00 0.00 H new ATOM 0 HG21 VAL B 17 33.173 -2.089 -13.997 1.00 0.00 H new ATOM 0 HG22 VAL B 17 33.574 -2.826 -12.428 1.00 0.00 H new ATOM 0 HG23 VAL B 17 34.712 -1.695 -13.196 1.00 0.00 H new ATOM 1257 N ASP B 18 36.734 -2.559 -11.740 1.00 0.00 N ATOM 1258 CA ASP B 18 37.639 -1.490 -11.333 1.00 0.00 C ATOM 1259 C ASP B 18 39.054 -2.023 -11.133 1.00 0.00 C ATOM 1260 O ASP B 18 39.994 -1.582 -11.796 1.00 0.00 O ATOM 1261 CB ASP B 18 37.141 -0.834 -10.045 1.00 0.00 C ATOM 1262 CG ASP B 18 37.861 0.465 -9.740 1.00 0.00 C ATOM 1263 OD1 ASP B 18 38.169 1.209 -10.694 1.00 0.00 O ATOM 1264 OD2 ASP B 18 38.118 0.736 -8.548 1.00 0.00 O ATOM 0 H ASP B 18 36.063 -2.838 -11.025 1.00 0.00 H new ATOM 0 HA ASP B 18 37.660 -0.743 -12.127 1.00 0.00 H new ATOM 0 HB2 ASP B 18 36.071 -0.642 -10.129 1.00 0.00 H new ATOM 0 HB3 ASP B 18 37.277 -1.525 -9.213 1.00 0.00 H new ATOM 1269 N TYR B 19 39.199 -2.972 -10.215 1.00 0.00 N ATOM 1270 CA TYR B 19 40.501 -3.562 -9.925 1.00 0.00 C ATOM 1271 C TYR B 19 41.078 -4.242 -11.162 1.00 0.00 C ATOM 1272 O TYR B 19 42.295 -4.299 -11.342 1.00 0.00 O ATOM 1273 CB TYR B 19 40.383 -4.572 -8.782 1.00 0.00 C ATOM 1274 CG TYR B 19 40.041 -5.971 -9.243 1.00 0.00 C ATOM 1275 CD1 TYR B 19 40.992 -6.770 -9.866 1.00 0.00 C ATOM 1276 CD2 TYR B 19 38.767 -6.493 -9.058 1.00 0.00 C ATOM 1277 CE1 TYR B 19 40.684 -8.048 -10.289 1.00 0.00 C ATOM 1278 CE2 TYR B 19 38.451 -7.771 -9.477 1.00 0.00 C ATOM 1279 CZ TYR B 19 39.412 -8.544 -10.092 1.00 0.00 C ATOM 1280 OH TYR B 19 39.101 -9.817 -10.512 1.00 0.00 O ATOM 0 H TYR B 19 38.432 -3.349 -9.659 1.00 0.00 H new ATOM 0 HA TYR B 19 41.176 -2.761 -9.625 1.00 0.00 H new ATOM 0 HB2 TYR B 19 41.325 -4.599 -8.234 1.00 0.00 H new ATOM 0 HB3 TYR B 19 39.618 -4.231 -8.085 1.00 0.00 H new ATOM 0 HD1 TYR B 19 41.989 -6.385 -10.022 1.00 0.00 H new ATOM 0 HD2 TYR B 19 38.011 -5.889 -8.578 1.00 0.00 H new ATOM 0 HE1 TYR B 19 41.435 -8.656 -10.771 1.00 0.00 H new ATOM 0 HE2 TYR B 19 37.456 -8.162 -9.323 1.00 0.00 H new ATOM 0 HH TYR B 19 39.243 -9.886 -11.479 1.00 0.00 H new ATOM 1290 N MET B 20 40.196 -4.757 -12.013 1.00 0.00 N ATOM 1291 CA MET B 20 40.617 -5.432 -13.235 1.00 0.00 C ATOM 1292 C MET B 20 41.033 -4.421 -14.299 1.00 0.00 C ATOM 1293 O MET B 20 41.978 -4.652 -15.053 1.00 0.00 O ATOM 1294 CB MET B 20 39.489 -6.317 -13.769 1.00 0.00 C ATOM 1295 CG MET B 20 39.982 -7.578 -14.460 1.00 0.00 C ATOM 1296 SD MET B 20 39.882 -9.034 -13.402 1.00 0.00 S ATOM 1297 CE MET B 20 41.604 -9.524 -13.337 1.00 0.00 C ATOM 0 H MET B 20 39.186 -4.720 -11.879 1.00 0.00 H new ATOM 0 HA MET B 20 41.478 -6.057 -12.997 1.00 0.00 H new ATOM 0 HB2 MET B 20 38.836 -6.597 -12.943 1.00 0.00 H new ATOM 0 HB3 MET B 20 38.886 -5.740 -14.470 1.00 0.00 H new ATOM 0 HG2 MET B 20 39.393 -7.748 -15.361 1.00 0.00 H new ATOM 0 HG3 MET B 20 41.015 -7.434 -14.777 1.00 0.00 H new ATOM 0 HE1 MET B 20 41.672 -10.579 -13.071 1.00 0.00 H new ATOM 0 HE2 MET B 20 42.065 -9.365 -14.312 1.00 0.00 H new ATOM 0 HE3 MET B 20 42.124 -8.927 -12.588 1.00 0.00 H new ATOM 1307 N ALA B 21 40.321 -3.300 -14.354 1.00 0.00 N ATOM 1308 CA ALA B 21 40.618 -2.254 -15.324 1.00 0.00 C ATOM 1309 C ALA B 21 41.982 -1.627 -15.056 1.00 0.00 C ATOM 1310 O ALA B 21 42.726 -1.311 -15.985 1.00 0.00 O ATOM 1311 CB ALA B 21 39.532 -1.189 -15.301 1.00 0.00 C ATOM 0 H ALA B 21 39.535 -3.093 -13.738 1.00 0.00 H new ATOM 0 HA ALA B 21 40.645 -2.709 -16.314 1.00 0.00 H new ATOM 0 HB1 ALA B 21 39.767 -0.414 -16.031 1.00 0.00 H new ATOM 0 HB2 ALA B 21 38.572 -1.642 -15.550 1.00 0.00 H new ATOM 0 HB3 ALA B 21 39.477 -0.746 -14.306 1.00 0.00 H new ATOM 1317 N THR B 22 42.305 -1.448 -13.779 1.00 0.00 N ATOM 1318 CA THR B 22 43.578 -0.856 -13.388 1.00 0.00 C ATOM 1319 C THR B 22 44.715 -1.863 -13.520 1.00 0.00 C ATOM 1320 O THR B 22 45.889 -1.498 -13.461 1.00 0.00 O ATOM 1321 CB THR B 22 43.535 -0.336 -11.939 1.00 0.00 C ATOM 1322 OG1 THR B 22 44.784 0.278 -11.601 1.00 0.00 O ATOM 1323 CG2 THR B 22 43.240 -1.467 -10.966 1.00 0.00 C ATOM 0 H THR B 22 41.702 -1.705 -12.998 1.00 0.00 H new ATOM 0 HA THR B 22 43.757 -0.018 -14.062 1.00 0.00 H new ATOM 0 HB THR B 22 42.736 0.402 -11.865 1.00 0.00 H new ATOM 0 HG1 THR B 22 45.494 -0.093 -12.166 1.00 0.00 H new ATOM 0 HG21 THR B 22 43.215 -1.075 -9.949 1.00 0.00 H new ATOM 0 HG22 THR B 22 42.275 -1.912 -11.207 1.00 0.00 H new ATOM 0 HG23 THR B 22 44.019 -2.226 -11.043 1.00 0.00 H new ATOM 1331 N GLN B 23 44.359 -3.131 -13.699 1.00 0.00 N ATOM 1332 CA GLN B 23 45.351 -4.190 -13.840 1.00 0.00 C ATOM 1333 C GLN B 23 45.730 -4.391 -15.304 1.00 0.00 C ATOM 1334 O GLN B 23 46.563 -5.235 -15.630 1.00 0.00 O ATOM 1335 CB GLN B 23 44.818 -5.499 -13.255 1.00 0.00 C ATOM 1336 CG GLN B 23 44.980 -5.602 -11.747 1.00 0.00 C ATOM 1337 CD GLN B 23 46.432 -5.704 -11.322 1.00 0.00 C ATOM 1338 OE1 GLN B 23 46.981 -6.800 -11.203 1.00 0.00 O ATOM 1339 NE2 GLN B 23 47.063 -4.559 -11.092 1.00 0.00 N ATOM 0 H GLN B 23 43.391 -3.450 -13.750 1.00 0.00 H new ATOM 0 HA GLN B 23 46.244 -3.891 -13.290 1.00 0.00 H new ATOM 0 HB2 GLN B 23 43.762 -5.596 -13.506 1.00 0.00 H new ATOM 0 HB3 GLN B 23 45.336 -6.335 -13.726 1.00 0.00 H new ATOM 0 HG2 GLN B 23 44.528 -4.729 -11.276 1.00 0.00 H new ATOM 0 HG3 GLN B 23 44.437 -6.476 -11.386 1.00 0.00 H new ATOM 0 HE21 GLN B 23 46.569 -3.673 -11.203 1.00 0.00 H new ATOM 0 HE22 GLN B 23 48.042 -4.565 -10.804 1.00 0.00 H new ATOM 1348 N GLY B 24 45.111 -3.609 -16.183 1.00 0.00 N ATOM 1349 CA GLY B 24 45.396 -3.716 -17.601 1.00 0.00 C ATOM 1350 C GLY B 24 44.328 -4.489 -18.350 1.00 0.00 C ATOM 1351 O GLY B 24 44.380 -4.607 -19.575 1.00 0.00 O ATOM 0 H GLY B 24 44.417 -2.903 -15.938 1.00 0.00 H new ATOM 0 HA2 GLY B 24 45.483 -2.717 -18.027 1.00 0.00 H new ATOM 0 HA3 GLY B 24 46.359 -4.207 -17.739 1.00 0.00 H new ATOM 1355 N VAL B 25 43.357 -5.019 -17.613 1.00 0.00 N ATOM 1356 CA VAL B 25 42.272 -5.785 -18.215 1.00 0.00 C ATOM 1357 C VAL B 25 40.960 -5.009 -18.169 1.00 0.00 C ATOM 1358 O VAL B 25 40.400 -4.779 -17.097 1.00 0.00 O ATOM 1359 CB VAL B 25 42.080 -7.138 -17.506 1.00 0.00 C ATOM 1360 CG1 VAL B 25 41.087 -8.004 -18.267 1.00 0.00 C ATOM 1361 CG2 VAL B 25 43.414 -7.852 -17.351 1.00 0.00 C ATOM 0 H VAL B 25 43.300 -4.932 -16.598 1.00 0.00 H new ATOM 0 HA VAL B 25 42.549 -5.964 -19.254 1.00 0.00 H new ATOM 0 HB VAL B 25 41.675 -6.953 -16.511 1.00 0.00 H new ATOM 0 HG11 VAL B 25 40.964 -8.956 -17.751 1.00 0.00 H new ATOM 0 HG12 VAL B 25 40.125 -7.494 -18.320 1.00 0.00 H new ATOM 0 HG13 VAL B 25 41.459 -8.183 -19.276 1.00 0.00 H new ATOM 0 HG21 VAL B 25 43.259 -8.807 -16.848 1.00 0.00 H new ATOM 0 HG22 VAL B 25 43.850 -8.027 -18.335 1.00 0.00 H new ATOM 0 HG23 VAL B 25 44.090 -7.235 -16.759 1.00 0.00 H new ATOM 1371 N ILE B 26 40.475 -4.609 -19.340 1.00 0.00 N ATOM 1372 CA ILE B 26 39.228 -3.860 -19.434 1.00 0.00 C ATOM 1373 C ILE B 26 38.022 -4.791 -19.371 1.00 0.00 C ATOM 1374 O ILE B 26 37.982 -5.821 -20.046 1.00 0.00 O ATOM 1375 CB ILE B 26 39.161 -3.038 -20.734 1.00 0.00 C ATOM 1376 CG1 ILE B 26 40.328 -2.052 -20.801 1.00 0.00 C ATOM 1377 CG2 ILE B 26 37.832 -2.302 -20.828 1.00 0.00 C ATOM 1378 CD1 ILE B 26 40.351 -1.064 -19.655 1.00 0.00 C ATOM 0 H ILE B 26 40.927 -4.791 -20.236 1.00 0.00 H new ATOM 0 HA ILE B 26 39.204 -3.180 -18.583 1.00 0.00 H new ATOM 0 HB ILE B 26 39.237 -3.720 -21.581 1.00 0.00 H new ATOM 0 HG12 ILE B 26 41.264 -2.610 -20.808 1.00 0.00 H new ATOM 0 HG13 ILE B 26 40.276 -1.504 -21.742 1.00 0.00 H new ATOM 0 HG21 ILE B 26 37.800 -1.725 -21.752 1.00 0.00 H new ATOM 0 HG22 ILE B 26 37.015 -3.024 -20.822 1.00 0.00 H new ATOM 0 HG23 ILE B 26 37.728 -1.629 -19.977 1.00 0.00 H new ATOM 0 HD11 ILE B 26 41.205 -0.396 -19.768 1.00 0.00 H new ATOM 0 HD12 ILE B 26 39.431 -0.480 -19.659 1.00 0.00 H new ATOM 0 HD13 ILE B 26 40.434 -1.603 -18.711 1.00 0.00 H new ATOM 1390 N LEU B 27 37.038 -4.422 -18.558 1.00 0.00 N ATOM 1391 CA LEU B 27 35.828 -5.223 -18.408 1.00 0.00 C ATOM 1392 C LEU B 27 34.582 -4.378 -18.649 1.00 0.00 C ATOM 1393 O LEU B 27 34.631 -3.149 -18.591 1.00 0.00 O ATOM 1394 CB LEU B 27 35.774 -5.844 -17.011 1.00 0.00 C ATOM 1395 CG LEU B 27 36.705 -7.033 -16.768 1.00 0.00 C ATOM 1396 CD1 LEU B 27 36.550 -7.551 -15.346 1.00 0.00 C ATOM 1397 CD2 LEU B 27 36.430 -8.140 -17.774 1.00 0.00 C ATOM 0 H LEU B 27 37.054 -3.573 -17.993 1.00 0.00 H new ATOM 0 HA LEU B 27 35.854 -6.019 -19.152 1.00 0.00 H new ATOM 0 HB2 LEU B 27 36.009 -5.069 -16.281 1.00 0.00 H new ATOM 0 HB3 LEU B 27 34.750 -6.164 -16.817 1.00 0.00 H new ATOM 0 HG LEU B 27 37.734 -6.697 -16.900 1.00 0.00 H new ATOM 0 HD11 LEU B 27 37.220 -8.397 -15.192 1.00 0.00 H new ATOM 0 HD12 LEU B 27 36.798 -6.758 -14.641 1.00 0.00 H new ATOM 0 HD13 LEU B 27 35.520 -7.870 -15.185 1.00 0.00 H new ATOM 0 HD21 LEU B 27 37.102 -8.978 -17.586 1.00 0.00 H new ATOM 0 HD22 LEU B 27 35.397 -8.474 -17.675 1.00 0.00 H new ATOM 0 HD23 LEU B 27 36.594 -7.763 -18.784 1.00 0.00 H new ATOM 1409 N THR B 28 33.464 -5.045 -18.919 1.00 0.00 N ATOM 1410 CA THR B 28 32.204 -4.355 -19.169 1.00 0.00 C ATOM 1411 C THR B 28 31.099 -4.885 -18.263 1.00 0.00 C ATOM 1412 O THR B 28 31.075 -6.069 -17.924 1.00 0.00 O ATOM 1413 CB THR B 28 31.764 -4.503 -20.637 1.00 0.00 C ATOM 1414 OG1 THR B 28 32.822 -5.081 -21.410 1.00 0.00 O ATOM 1415 CG2 THR B 28 31.379 -3.154 -21.225 1.00 0.00 C ATOM 0 H THR B 28 33.405 -6.062 -18.970 1.00 0.00 H new ATOM 0 HA THR B 28 32.373 -3.300 -18.953 1.00 0.00 H new ATOM 0 HB THR B 28 30.893 -5.157 -20.668 1.00 0.00 H new ATOM 0 HG1 THR B 28 32.945 -6.017 -21.148 1.00 0.00 H new ATOM 0 HG21 THR B 28 31.072 -3.284 -22.263 1.00 0.00 H new ATOM 0 HG22 THR B 28 30.554 -2.730 -20.653 1.00 0.00 H new ATOM 0 HG23 THR B 28 32.235 -2.481 -21.182 1.00 0.00 H new ATOM 1423 N ILE B 29 30.185 -4.003 -17.874 1.00 0.00 N ATOM 1424 CA ILE B 29 29.075 -4.383 -17.009 1.00 0.00 C ATOM 1425 C ILE B 29 27.736 -4.005 -17.633 1.00 0.00 C ATOM 1426 O ILE B 29 27.616 -2.968 -18.284 1.00 0.00 O ATOM 1427 CB ILE B 29 29.189 -3.720 -15.623 1.00 0.00 C ATOM 1428 CG1 ILE B 29 30.449 -4.204 -14.904 1.00 0.00 C ATOM 1429 CG2 ILE B 29 27.950 -4.016 -14.791 1.00 0.00 C ATOM 1430 CD1 ILE B 29 30.441 -5.687 -14.602 1.00 0.00 C ATOM 0 H ILE B 29 30.191 -3.019 -18.144 1.00 0.00 H new ATOM 0 HA ILE B 29 29.124 -5.465 -16.890 1.00 0.00 H new ATOM 0 HB ILE B 29 29.263 -2.641 -15.758 1.00 0.00 H new ATOM 0 HG12 ILE B 29 31.320 -3.971 -15.517 1.00 0.00 H new ATOM 0 HG13 ILE B 29 30.560 -3.652 -13.971 1.00 0.00 H new ATOM 0 HG21 ILE B 29 28.045 -3.541 -13.815 1.00 0.00 H new ATOM 0 HG22 ILE B 29 27.068 -3.626 -15.300 1.00 0.00 H new ATOM 0 HG23 ILE B 29 27.847 -5.093 -14.662 1.00 0.00 H new ATOM 0 HD11 ILE B 29 31.365 -5.959 -14.092 1.00 0.00 H new ATOM 0 HD12 ILE B 29 29.590 -5.924 -13.963 1.00 0.00 H new ATOM 0 HD13 ILE B 29 30.362 -6.248 -15.533 1.00 0.00 H new ATOM 1442 N GLN B 30 26.734 -4.852 -17.428 1.00 0.00 N ATOM 1443 CA GLN B 30 25.403 -4.606 -17.970 1.00 0.00 C ATOM 1444 C GLN B 30 24.360 -4.571 -16.857 1.00 0.00 C ATOM 1445 O GLN B 30 23.959 -5.612 -16.338 1.00 0.00 O ATOM 1446 CB GLN B 30 25.038 -5.683 -18.993 1.00 0.00 C ATOM 1447 CG GLN B 30 25.250 -5.249 -20.434 1.00 0.00 C ATOM 1448 CD GLN B 30 23.969 -5.273 -21.245 1.00 0.00 C ATOM 1449 OE1 GLN B 30 23.278 -6.290 -21.306 1.00 0.00 O ATOM 1450 NE2 GLN B 30 23.644 -4.149 -21.873 1.00 0.00 N ATOM 0 H GLN B 30 26.818 -5.715 -16.891 1.00 0.00 H new ATOM 0 HA GLN B 30 25.414 -3.635 -18.464 1.00 0.00 H new ATOM 0 HB2 GLN B 30 25.635 -6.574 -18.799 1.00 0.00 H new ATOM 0 HB3 GLN B 30 23.994 -5.963 -18.856 1.00 0.00 H new ATOM 0 HG2 GLN B 30 25.666 -4.242 -20.449 1.00 0.00 H new ATOM 0 HG3 GLN B 30 25.985 -5.904 -20.902 1.00 0.00 H new ATOM 0 HE21 GLN B 30 24.246 -3.329 -21.795 1.00 0.00 H new ATOM 0 HE22 GLN B 30 22.793 -4.106 -22.433 1.00 0.00 H new ATOM 1459 N GLN B 31 23.926 -3.367 -16.497 1.00 0.00 N ATOM 1460 CA GLN B 31 22.930 -3.198 -15.446 1.00 0.00 C ATOM 1461 C GLN B 31 21.518 -3.340 -16.004 1.00 0.00 C ATOM 1462 O GLN B 31 21.057 -2.499 -16.776 1.00 0.00 O ATOM 1463 CB GLN B 31 23.091 -1.831 -14.777 1.00 0.00 C ATOM 1464 CG GLN B 31 23.528 -1.912 -13.324 1.00 0.00 C ATOM 1465 CD GLN B 31 23.711 -0.546 -12.692 1.00 0.00 C ATOM 1466 OE1 GLN B 31 24.125 0.406 -13.354 1.00 0.00 O ATOM 1467 NE2 GLN B 31 23.402 -0.443 -11.405 1.00 0.00 N ATOM 0 H GLN B 31 24.248 -2.495 -16.917 1.00 0.00 H new ATOM 0 HA GLN B 31 23.087 -3.980 -14.703 1.00 0.00 H new ATOM 0 HB2 GLN B 31 23.822 -1.246 -15.335 1.00 0.00 H new ATOM 0 HB3 GLN B 31 22.144 -1.295 -14.833 1.00 0.00 H new ATOM 0 HG2 GLN B 31 22.786 -2.474 -12.756 1.00 0.00 H new ATOM 0 HG3 GLN B 31 24.465 -2.466 -13.261 1.00 0.00 H new ATOM 0 HE21 GLN B 31 23.062 -1.259 -10.895 1.00 0.00 H new ATOM 0 HE22 GLN B 31 23.504 0.452 -10.926 1.00 0.00 H new ATOM 1524 N SER B 35 10.388 -3.008 -14.686 1.00 0.00 N ATOM 1525 CA SER B 35 9.391 -2.523 -13.740 1.00 0.00 C ATOM 1526 C SER B 35 8.121 -3.364 -13.810 1.00 0.00 C ATOM 1527 O SER B 35 7.317 -3.220 -14.731 1.00 0.00 O ATOM 1528 CB SER B 35 9.061 -1.056 -14.021 1.00 0.00 C ATOM 1529 OG SER B 35 10.234 -0.314 -14.306 1.00 0.00 O ATOM 0 HA SER B 35 9.807 -2.608 -12.736 1.00 0.00 H new ATOM 0 HB2 SER B 35 8.372 -0.990 -14.863 1.00 0.00 H new ATOM 0 HB3 SER B 35 8.554 -0.623 -13.159 1.00 0.00 H new ATOM 0 HG SER B 35 10.951 -0.926 -14.575 1.00 0.00 H new ATOM 1535 N ASP B 36 7.947 -4.244 -12.829 1.00 0.00 N ATOM 1536 CA ASP B 36 6.774 -5.109 -12.778 1.00 0.00 C ATOM 1537 C ASP B 36 5.673 -4.483 -11.928 1.00 0.00 C ATOM 1538 O ASP B 36 5.905 -4.089 -10.785 1.00 0.00 O ATOM 1539 CB ASP B 36 7.151 -6.481 -12.216 1.00 0.00 C ATOM 1540 CG ASP B 36 5.978 -7.177 -11.552 1.00 0.00 C ATOM 1541 OD1 ASP B 36 4.866 -7.132 -12.117 1.00 0.00 O ATOM 1542 OD2 ASP B 36 6.174 -7.765 -10.468 1.00 0.00 O ATOM 0 H ASP B 36 8.603 -4.377 -12.059 1.00 0.00 H new ATOM 0 HA ASP B 36 6.398 -5.231 -13.794 1.00 0.00 H new ATOM 0 HB2 ASP B 36 7.533 -7.108 -13.022 1.00 0.00 H new ATOM 0 HB3 ASP B 36 7.958 -6.365 -11.492 1.00 0.00 H new ATOM 1547 N VAL B 37 4.474 -4.392 -12.495 1.00 0.00 N ATOM 1548 CA VAL B 37 3.337 -3.813 -11.789 1.00 0.00 C ATOM 1549 C VAL B 37 2.425 -4.900 -11.232 1.00 0.00 C ATOM 1550 O VAL B 37 1.871 -5.704 -11.981 1.00 0.00 O ATOM 1551 CB VAL B 37 2.515 -2.891 -12.710 1.00 0.00 C ATOM 1552 CG1 VAL B 37 1.571 -2.023 -11.892 1.00 0.00 C ATOM 1553 CG2 VAL B 37 3.437 -2.033 -13.564 1.00 0.00 C ATOM 0 H VAL B 37 4.265 -4.712 -13.441 1.00 0.00 H new ATOM 0 HA VAL B 37 3.742 -3.225 -10.965 1.00 0.00 H new ATOM 0 HB VAL B 37 1.914 -3.512 -13.375 1.00 0.00 H new ATOM 0 HG11 VAL B 37 0.999 -1.379 -12.559 1.00 0.00 H new ATOM 0 HG12 VAL B 37 0.888 -2.659 -11.328 1.00 0.00 H new ATOM 0 HG13 VAL B 37 2.148 -1.409 -11.201 1.00 0.00 H new ATOM 0 HG21 VAL B 37 2.840 -1.388 -14.209 1.00 0.00 H new ATOM 0 HG22 VAL B 37 4.065 -1.420 -12.918 1.00 0.00 H new ATOM 0 HG23 VAL B 37 4.067 -2.676 -14.178 1.00 0.00 H new ATOM 1563 N TRP B 38 2.273 -4.918 -9.912 1.00 0.00 N ATOM 1564 CA TRP B 38 1.427 -5.907 -9.254 1.00 0.00 C ATOM 1565 C TRP B 38 0.410 -5.231 -8.341 1.00 0.00 C ATOM 1566 O TRP B 38 0.732 -4.271 -7.639 1.00 0.00 O ATOM 1567 CB TRP B 38 2.283 -6.885 -8.448 1.00 0.00 C ATOM 1568 CG TRP B 38 3.627 -6.334 -8.079 1.00 0.00 C ATOM 1569 CD1 TRP B 38 4.593 -5.887 -8.935 1.00 0.00 C ATOM 1570 CD2 TRP B 38 4.154 -6.173 -6.758 1.00 0.00 C ATOM 1571 NE1 TRP B 38 5.689 -5.459 -8.226 1.00 0.00 N ATOM 1572 CE2 TRP B 38 5.444 -5.622 -6.888 1.00 0.00 C ATOM 1573 CE3 TRP B 38 3.661 -6.438 -5.477 1.00 0.00 C ATOM 1574 CZ2 TRP B 38 6.245 -5.335 -5.786 1.00 0.00 C ATOM 1575 CZ3 TRP B 38 4.458 -6.152 -4.385 1.00 0.00 C ATOM 1576 CH2 TRP B 38 5.737 -5.605 -4.544 1.00 0.00 C ATOM 0 H TRP B 38 2.724 -4.259 -9.277 1.00 0.00 H new ATOM 0 HA TRP B 38 0.887 -6.457 -10.024 1.00 0.00 H new ATOM 0 HB2 TRP B 38 1.749 -7.160 -7.538 1.00 0.00 H new ATOM 0 HB3 TRP B 38 2.419 -7.799 -9.026 1.00 0.00 H new ATOM 0 HD1 TRP B 38 4.508 -5.872 -10.012 1.00 0.00 H new ATOM 0 HE1 TRP B 38 6.546 -5.081 -8.630 1.00 0.00 H new ATOM 0 HE3 TRP B 38 2.675 -6.859 -5.343 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 7.232 -4.914 -5.907 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 4.088 -6.354 -3.391 1.00 0.00 H new ATOM 0 HH2 TRP B 38 6.334 -5.392 -3.670 1.00 0.00 H new ATOM 1587 N LEU B 39 -0.818 -5.737 -8.354 1.00 0.00 N ATOM 1588 CA LEU B 39 -1.883 -5.182 -7.526 1.00 0.00 C ATOM 1589 C LEU B 39 -2.226 -6.124 -6.376 1.00 0.00 C ATOM 1590 O LEU B 39 -2.038 -7.336 -6.477 1.00 0.00 O ATOM 1591 CB LEU B 39 -3.129 -4.917 -8.373 1.00 0.00 C ATOM 1592 CG LEU B 39 -4.395 -4.537 -7.604 1.00 0.00 C ATOM 1593 CD1 LEU B 39 -4.217 -3.193 -6.915 1.00 0.00 C ATOM 1594 CD2 LEU B 39 -5.597 -4.505 -8.537 1.00 0.00 C ATOM 0 H LEU B 39 -1.101 -6.531 -8.929 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.530 -4.240 -7.106 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -2.902 -4.117 -9.077 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -3.340 -5.809 -8.962 1.00 0.00 H new ATOM 0 HG LEU B 39 -4.574 -5.294 -6.840 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -5.128 -2.939 -6.373 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -3.382 -3.250 -6.216 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -4.013 -2.426 -7.662 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -6.489 -4.233 -7.972 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -5.427 -3.770 -9.324 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -5.737 -5.489 -8.984 1.00 0.00 H new ATOM 1606 N ALA B 40 -2.733 -5.558 -5.286 1.00 0.00 N ATOM 1607 CA ALA B 40 -3.107 -6.348 -4.119 1.00 0.00 C ATOM 1608 C ALA B 40 -4.619 -6.525 -4.037 1.00 0.00 C ATOM 1609 O ALA B 40 -5.109 -7.526 -3.514 1.00 0.00 O ATOM 1610 CB ALA B 40 -2.580 -5.696 -2.849 1.00 0.00 C ATOM 0 H ALA B 40 -2.894 -4.556 -5.186 1.00 0.00 H new ATOM 0 HA ALA B 40 -2.657 -7.336 -4.221 1.00 0.00 H new ATOM 0 HB1 ALA B 40 -2.867 -6.297 -1.986 1.00 0.00 H new ATOM 0 HB2 ALA B 40 -1.493 -5.628 -2.899 1.00 0.00 H new ATOM 0 HB3 ALA B 40 -3.002 -4.696 -2.751 1.00 0.00 H new ATOM 1616 N ASP B 41 -5.353 -5.546 -4.556 1.00 0.00 N ATOM 1617 CA ASP B 41 -6.810 -5.594 -4.542 1.00 0.00 C ATOM 1618 C ASP B 41 -7.345 -6.262 -5.805 1.00 0.00 C ATOM 1619 O ASP B 41 -7.562 -5.603 -6.821 1.00 0.00 O ATOM 1620 CB ASP B 41 -7.387 -4.183 -4.412 1.00 0.00 C ATOM 1621 CG ASP B 41 -8.903 -4.173 -4.439 1.00 0.00 C ATOM 1622 OD1 ASP B 41 -9.505 -5.261 -4.329 1.00 0.00 O ATOM 1623 OD2 ASP B 41 -9.486 -3.076 -4.571 1.00 0.00 O ATOM 0 H ASP B 41 -4.963 -4.710 -4.991 1.00 0.00 H new ATOM 0 HA ASP B 41 -7.121 -6.186 -3.681 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -7.040 -3.736 -3.480 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -7.008 -3.562 -5.224 1.00 0.00 H new ATOM 1628 N GLU B 42 -7.553 -7.573 -5.733 1.00 0.00 N ATOM 1629 CA GLU B 42 -8.060 -8.328 -6.872 1.00 0.00 C ATOM 1630 C GLU B 42 -9.280 -7.643 -7.481 1.00 0.00 C ATOM 1631 O GLU B 42 -9.401 -7.536 -8.701 1.00 0.00 O ATOM 1632 CB GLU B 42 -8.421 -9.753 -6.447 1.00 0.00 C ATOM 1633 CG GLU B 42 -7.239 -10.549 -5.919 1.00 0.00 C ATOM 1634 CD GLU B 42 -7.650 -11.602 -4.908 1.00 0.00 C ATOM 1635 OE1 GLU B 42 -8.381 -11.258 -3.956 1.00 0.00 O ATOM 1636 OE2 GLU B 42 -7.239 -12.770 -5.069 1.00 0.00 O ATOM 0 H GLU B 42 -7.378 -8.133 -4.899 1.00 0.00 H new ATOM 0 HA GLU B 42 -7.274 -8.369 -7.626 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -9.192 -9.709 -5.677 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -8.851 -10.279 -7.299 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -6.729 -11.031 -6.753 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -6.524 -9.868 -5.458 1.00 0.00 H new ATOM 1643 N SER B 43 -10.182 -7.181 -6.621 1.00 0.00 N ATOM 1644 CA SER B 43 -11.395 -6.509 -7.073 1.00 0.00 C ATOM 1645 C SER B 43 -11.056 -5.309 -7.951 1.00 0.00 C ATOM 1646 O SER B 43 -11.787 -4.987 -8.888 1.00 0.00 O ATOM 1647 CB SER B 43 -12.230 -6.058 -5.873 1.00 0.00 C ATOM 1648 OG SER B 43 -12.056 -6.933 -4.772 1.00 0.00 O ATOM 0 H SER B 43 -10.096 -7.260 -5.608 1.00 0.00 H new ATOM 0 HA SER B 43 -11.975 -7.217 -7.665 1.00 0.00 H new ATOM 0 HB2 SER B 43 -11.943 -5.046 -5.586 1.00 0.00 H new ATOM 0 HB3 SER B 43 -13.283 -6.024 -6.151 1.00 0.00 H new ATOM 0 HG SER B 43 -12.599 -6.622 -4.018 1.00 0.00 H new ATOM 1654 N GLN B 44 -9.943 -4.652 -7.642 1.00 0.00 N ATOM 1655 CA GLN B 44 -9.508 -3.487 -8.402 1.00 0.00 C ATOM 1656 C GLN B 44 -8.725 -3.907 -9.642 1.00 0.00 C ATOM 1657 O GLN B 44 -8.507 -3.107 -10.551 1.00 0.00 O ATOM 1658 CB GLN B 44 -8.648 -2.573 -7.527 1.00 0.00 C ATOM 1659 CG GLN B 44 -9.391 -1.352 -7.009 1.00 0.00 C ATOM 1660 CD GLN B 44 -8.600 -0.587 -5.966 1.00 0.00 C ATOM 1661 OE1 GLN B 44 -7.621 -1.094 -5.417 1.00 0.00 O ATOM 1662 NE2 GLN B 44 -9.021 0.641 -5.687 1.00 0.00 N ATOM 0 H GLN B 44 -9.326 -4.907 -6.871 1.00 0.00 H new ATOM 0 HA GLN B 44 -10.396 -2.942 -8.723 1.00 0.00 H new ATOM 0 HB2 GLN B 44 -8.271 -3.145 -6.679 1.00 0.00 H new ATOM 0 HB3 GLN B 44 -7.782 -2.244 -8.101 1.00 0.00 H new ATOM 0 HG2 GLN B 44 -9.620 -0.690 -7.844 1.00 0.00 H new ATOM 0 HG3 GLN B 44 -10.343 -1.665 -6.580 1.00 0.00 H new ATOM 0 HE21 GLN B 44 -9.837 1.022 -6.166 1.00 0.00 H new ATOM 0 HE22 GLN B 44 -8.528 1.204 -4.994 1.00 0.00 H new ATOM 1671 N ALA B 45 -8.304 -5.168 -9.671 1.00 0.00 N ATOM 1672 CA ALA B 45 -7.547 -5.695 -10.799 1.00 0.00 C ATOM 1673 C ALA B 45 -8.280 -5.450 -12.114 1.00 0.00 C ATOM 1674 O ALA B 45 -7.660 -5.139 -13.131 1.00 0.00 O ATOM 1675 CB ALA B 45 -7.283 -7.181 -10.609 1.00 0.00 C ATOM 0 H ALA B 45 -8.475 -5.843 -8.926 1.00 0.00 H new ATOM 0 HA ALA B 45 -6.593 -5.170 -10.842 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -6.717 -7.562 -11.459 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -6.711 -7.335 -9.694 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -8.232 -7.713 -10.538 1.00 0.00 H new ATOM 1681 N GLU B 46 -9.601 -5.592 -12.085 1.00 0.00 N ATOM 1682 CA GLU B 46 -10.417 -5.387 -13.277 1.00 0.00 C ATOM 1683 C GLU B 46 -10.350 -3.934 -13.738 1.00 0.00 C ATOM 1684 O GLU B 46 -10.164 -3.656 -14.923 1.00 0.00 O ATOM 1685 CB GLU B 46 -11.870 -5.780 -13.001 1.00 0.00 C ATOM 1686 CG GLU B 46 -12.014 -7.109 -12.279 1.00 0.00 C ATOM 1687 CD GLU B 46 -13.450 -7.594 -12.231 1.00 0.00 C ATOM 1688 OE1 GLU B 46 -14.242 -7.190 -13.108 1.00 0.00 O ATOM 1689 OE2 GLU B 46 -13.782 -8.376 -11.316 1.00 0.00 O ATOM 0 H GLU B 46 -10.129 -5.848 -11.251 1.00 0.00 H new ATOM 0 HA GLU B 46 -10.022 -6.021 -14.071 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -12.342 -4.999 -12.405 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -12.410 -5.829 -13.946 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -11.398 -7.858 -12.777 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -11.634 -7.009 -11.262 1.00 0.00 H new ATOM 1696 N ARG B 47 -10.505 -3.012 -12.794 1.00 0.00 N ATOM 1697 CA ARG B 47 -10.464 -1.587 -13.103 1.00 0.00 C ATOM 1698 C ARG B 47 -9.119 -1.201 -13.710 1.00 0.00 C ATOM 1699 O ARG B 47 -9.057 -0.657 -14.813 1.00 0.00 O ATOM 1700 CB ARG B 47 -10.722 -0.762 -11.841 1.00 0.00 C ATOM 1701 CG ARG B 47 -10.696 0.739 -12.079 1.00 0.00 C ATOM 1702 CD ARG B 47 -9.323 1.325 -11.792 1.00 0.00 C ATOM 1703 NE ARG B 47 -9.263 2.752 -12.097 1.00 0.00 N ATOM 1704 CZ ARG B 47 -9.879 3.684 -11.379 1.00 0.00 C ATOM 1705 NH1 ARG B 47 -10.599 3.342 -10.319 1.00 0.00 N ATOM 1706 NH2 ARG B 47 -9.777 4.962 -11.721 1.00 0.00 N ATOM 0 H ARG B 47 -10.660 -3.226 -11.809 1.00 0.00 H new ATOM 0 HA ARG B 47 -11.246 -1.376 -13.832 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -11.692 -1.039 -11.428 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -9.972 -1.016 -11.092 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -10.974 0.950 -13.112 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -11.439 1.222 -11.444 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -9.074 1.168 -10.743 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -8.573 0.797 -12.380 1.00 0.00 H new ATOM 0 HE ARG B 47 -8.718 3.049 -12.906 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -10.681 2.361 -10.053 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -11.071 4.060 -9.770 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -9.225 5.229 -12.536 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -10.251 5.677 -11.169 1.00 0.00 H new ATOM 1720 N VAL B 48 -8.043 -1.486 -12.983 1.00 0.00 N ATOM 1721 CA VAL B 48 -6.699 -1.169 -13.450 1.00 0.00 C ATOM 1722 C VAL B 48 -6.432 -1.788 -14.818 1.00 0.00 C ATOM 1723 O VAL B 48 -5.821 -1.162 -15.685 1.00 0.00 O ATOM 1724 CB VAL B 48 -5.629 -1.663 -12.458 1.00 0.00 C ATOM 1725 CG1 VAL B 48 -5.717 -0.892 -11.150 1.00 0.00 C ATOM 1726 CG2 VAL B 48 -5.776 -3.157 -12.216 1.00 0.00 C ATOM 0 H VAL B 48 -8.076 -1.936 -12.068 1.00 0.00 H new ATOM 0 HA VAL B 48 -6.639 -0.083 -13.527 1.00 0.00 H new ATOM 0 HB VAL B 48 -4.646 -1.484 -12.893 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -4.954 -1.255 -10.462 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -5.558 0.169 -11.342 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -6.703 -1.037 -10.708 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -5.012 -3.489 -11.513 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -6.763 -3.363 -11.803 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -5.658 -3.692 -13.159 1.00 0.00 H new ATOM 1736 N ARG B 49 -6.894 -3.020 -15.004 1.00 0.00 N ATOM 1737 CA ARG B 49 -6.704 -3.724 -16.266 1.00 0.00 C ATOM 1738 C ARG B 49 -7.291 -2.926 -17.427 1.00 0.00 C ATOM 1739 O ARG B 49 -6.591 -2.598 -18.384 1.00 0.00 O ATOM 1740 CB ARG B 49 -7.353 -5.108 -16.205 1.00 0.00 C ATOM 1741 CG ARG B 49 -6.400 -6.208 -15.769 1.00 0.00 C ATOM 1742 CD ARG B 49 -7.125 -7.297 -14.993 1.00 0.00 C ATOM 1743 NE ARG B 49 -6.991 -8.605 -15.629 1.00 0.00 N ATOM 1744 CZ ARG B 49 -7.625 -9.694 -15.211 1.00 0.00 C ATOM 1745 NH1 ARG B 49 -8.433 -9.633 -14.162 1.00 0.00 N ATOM 1746 NH2 ARG B 49 -7.451 -10.848 -15.843 1.00 0.00 N ATOM 0 H ARG B 49 -7.402 -3.551 -14.297 1.00 0.00 H new ATOM 0 HA ARG B 49 -5.633 -3.839 -16.431 1.00 0.00 H new ATOM 0 HB2 ARG B 49 -8.196 -5.075 -15.515 1.00 0.00 H new ATOM 0 HB3 ARG B 49 -7.755 -5.355 -17.188 1.00 0.00 H new ATOM 0 HG2 ARG B 49 -5.919 -6.643 -16.645 1.00 0.00 H new ATOM 0 HG3 ARG B 49 -5.610 -5.783 -15.150 1.00 0.00 H new ATOM 0 HD2 ARG B 49 -6.728 -7.345 -13.979 1.00 0.00 H new ATOM 0 HD3 ARG B 49 -8.181 -7.041 -14.910 1.00 0.00 H new ATOM 0 HE ARG B 49 -6.376 -8.686 -16.439 1.00 0.00 H new ATOM 0 HH11 ARG B 49 -8.569 -8.748 -13.674 1.00 0.00 H new ATOM 0 HH12 ARG B 49 -8.919 -10.471 -13.843 1.00 0.00 H new ATOM 0 HH21 ARG B 49 -6.830 -10.899 -16.650 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -7.938 -11.684 -15.521 1.00 0.00 H new ATOM 1760 N ALA B 50 -8.581 -2.618 -17.335 1.00 0.00 N ATOM 1761 CA ALA B 50 -9.261 -1.858 -18.376 1.00 0.00 C ATOM 1762 C ALA B 50 -8.582 -0.512 -18.605 1.00 0.00 C ATOM 1763 O ALA B 50 -8.096 -0.230 -19.700 1.00 0.00 O ATOM 1764 CB ALA B 50 -10.725 -1.658 -18.013 1.00 0.00 C ATOM 0 H ALA B 50 -9.176 -2.883 -16.550 1.00 0.00 H new ATOM 0 HA ALA B 50 -9.203 -2.427 -19.304 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -11.220 -1.089 -18.800 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -11.210 -2.629 -17.907 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -10.795 -1.113 -17.072 1.00 0.00 H new ATOM 1770 N GLU B 51 -8.554 0.316 -17.565 1.00 0.00 N ATOM 1771 CA GLU B 51 -7.936 1.634 -17.655 1.00 0.00 C ATOM 1772 C GLU B 51 -6.533 1.537 -18.246 1.00 0.00 C ATOM 1773 O GLU B 51 -6.171 2.300 -19.143 1.00 0.00 O ATOM 1774 CB GLU B 51 -7.876 2.289 -16.273 1.00 0.00 C ATOM 1775 CG GLU B 51 -9.239 2.469 -15.625 1.00 0.00 C ATOM 1776 CD GLU B 51 -10.315 2.843 -16.626 1.00 0.00 C ATOM 1777 OE1 GLU B 51 -10.087 3.776 -17.423 1.00 0.00 O ATOM 1778 OE2 GLU B 51 -11.386 2.200 -16.611 1.00 0.00 O ATOM 0 H GLU B 51 -8.952 0.098 -16.651 1.00 0.00 H new ATOM 0 HA GLU B 51 -8.547 2.250 -18.314 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -7.250 1.682 -15.619 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -7.394 3.263 -16.362 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -9.522 1.545 -15.121 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -9.174 3.243 -14.860 1.00 0.00 H new ATOM 1785 N LEU B 52 -5.746 0.596 -17.736 1.00 0.00 N ATOM 1786 CA LEU B 52 -4.381 0.399 -18.212 1.00 0.00 C ATOM 1787 C LEU B 52 -4.352 0.229 -19.728 1.00 0.00 C ATOM 1788 O LEU B 52 -3.592 0.902 -20.423 1.00 0.00 O ATOM 1789 CB LEU B 52 -3.757 -0.824 -17.538 1.00 0.00 C ATOM 1790 CG LEU B 52 -2.332 -1.173 -17.969 1.00 0.00 C ATOM 1791 CD1 LEU B 52 -1.368 -1.015 -16.803 1.00 0.00 C ATOM 1792 CD2 LEU B 52 -2.274 -2.590 -18.523 1.00 0.00 C ATOM 0 H LEU B 52 -6.030 -0.043 -16.993 1.00 0.00 H new ATOM 0 HA LEU B 52 -3.801 1.285 -17.953 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -3.760 -0.661 -16.460 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -4.395 -1.686 -17.732 1.00 0.00 H new ATOM 0 HG LEU B 52 -2.032 -0.483 -18.758 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -0.359 -1.268 -17.128 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -1.388 0.017 -16.451 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -1.665 -1.681 -15.993 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -1.252 -2.821 -18.825 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -2.594 -3.294 -17.755 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -2.934 -2.670 -19.386 1.00 0.00 H new ATOM 1804 N ALA B 53 -5.187 -0.673 -20.233 1.00 0.00 N ATOM 1805 CA ALA B 53 -5.260 -0.928 -21.666 1.00 0.00 C ATOM 1806 C ALA B 53 -5.570 0.351 -22.436 1.00 0.00 C ATOM 1807 O ALA B 53 -5.022 0.586 -23.514 1.00 0.00 O ATOM 1808 CB ALA B 53 -6.309 -1.990 -21.960 1.00 0.00 C ATOM 0 H ALA B 53 -5.822 -1.239 -19.671 1.00 0.00 H new ATOM 0 HA ALA B 53 -4.287 -1.293 -21.995 1.00 0.00 H new ATOM 0 HB1 ALA B 53 -6.353 -2.171 -23.034 1.00 0.00 H new ATOM 0 HB2 ALA B 53 -6.044 -2.915 -21.447 1.00 0.00 H new ATOM 0 HB3 ALA B 53 -7.282 -1.647 -21.610 1.00 0.00 H new ATOM 1814 N ARG B 54 -6.450 1.175 -21.877 1.00 0.00 N ATOM 1815 CA ARG B 54 -6.834 2.429 -22.513 1.00 0.00 C ATOM 1816 C ARG B 54 -5.764 3.496 -22.299 1.00 0.00 C ATOM 1817 O ARG B 54 -5.725 4.503 -23.007 1.00 0.00 O ATOM 1818 CB ARG B 54 -8.174 2.917 -21.960 1.00 0.00 C ATOM 1819 CG ARG B 54 -9.289 1.890 -22.072 1.00 0.00 C ATOM 1820 CD ARG B 54 -10.506 2.299 -21.257 1.00 0.00 C ATOM 1821 NE ARG B 54 -11.714 2.368 -22.075 1.00 0.00 N ATOM 1822 CZ ARG B 54 -12.911 2.683 -21.592 1.00 0.00 C ATOM 1823 NH1 ARG B 54 -13.059 2.956 -20.304 1.00 0.00 N ATOM 1824 NH2 ARG B 54 -13.963 2.725 -22.400 1.00 0.00 N ATOM 0 H ARG B 54 -6.911 0.997 -20.985 1.00 0.00 H new ATOM 0 HA ARG B 54 -6.935 2.249 -23.583 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -8.047 3.191 -20.913 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -8.469 3.821 -22.492 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -9.573 1.772 -23.118 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -8.928 0.921 -21.728 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -10.657 1.585 -20.447 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -10.324 3.270 -20.796 1.00 0.00 H new ATOM 0 HE ARG B 54 -11.634 2.163 -23.071 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -12.253 2.925 -19.680 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -13.979 3.198 -19.936 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -13.853 2.515 -23.392 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -14.882 2.967 -22.029 1.00 0.00 H new ATOM 1838 N PHE B 55 -4.898 3.270 -21.317 1.00 0.00 N ATOM 1839 CA PHE B 55 -3.829 4.212 -21.008 1.00 0.00 C ATOM 1840 C PHE B 55 -2.590 3.925 -21.852 1.00 0.00 C ATOM 1841 O PHE B 55 -1.893 4.844 -22.284 1.00 0.00 O ATOM 1842 CB PHE B 55 -3.474 4.143 -19.521 1.00 0.00 C ATOM 1843 CG PHE B 55 -2.632 5.296 -19.052 1.00 0.00 C ATOM 1844 CD1 PHE B 55 -1.329 5.446 -19.499 1.00 0.00 C ATOM 1845 CD2 PHE B 55 -3.144 6.229 -18.165 1.00 0.00 C ATOM 1846 CE1 PHE B 55 -0.553 6.505 -19.068 1.00 0.00 C ATOM 1847 CE2 PHE B 55 -2.372 7.290 -17.731 1.00 0.00 C ATOM 1848 CZ PHE B 55 -1.075 7.429 -18.184 1.00 0.00 C ATOM 0 H PHE B 55 -4.916 2.442 -20.721 1.00 0.00 H new ATOM 0 HA PHE B 55 -4.183 5.215 -21.244 1.00 0.00 H new ATOM 0 HB2 PHE B 55 -4.394 4.114 -18.937 1.00 0.00 H new ATOM 0 HB3 PHE B 55 -2.942 3.212 -19.325 1.00 0.00 H new ATOM 0 HD1 PHE B 55 -0.916 4.728 -20.192 1.00 0.00 H new ATOM 0 HD2 PHE B 55 -4.158 6.126 -17.809 1.00 0.00 H new ATOM 0 HE1 PHE B 55 0.462 6.610 -19.422 1.00 0.00 H new ATOM 0 HE2 PHE B 55 -2.783 8.010 -17.038 1.00 0.00 H new ATOM 0 HZ PHE B 55 -0.470 8.258 -17.848 1.00 0.00 H new ATOM 1858 N LEU B 56 -2.322 2.644 -22.082 1.00 0.00 N ATOM 1859 CA LEU B 56 -1.168 2.235 -22.874 1.00 0.00 C ATOM 1860 C LEU B 56 -1.217 2.850 -24.268 1.00 0.00 C ATOM 1861 O LEU B 56 -0.187 3.217 -24.832 1.00 0.00 O ATOM 1862 CB LEU B 56 -1.112 0.709 -22.979 1.00 0.00 C ATOM 1863 CG LEU B 56 -0.336 -0.011 -21.876 1.00 0.00 C ATOM 1864 CD1 LEU B 56 -0.447 -1.519 -22.042 1.00 0.00 C ATOM 1865 CD2 LEU B 56 1.123 0.421 -21.880 1.00 0.00 C ATOM 0 H LEU B 56 -2.888 1.871 -21.731 1.00 0.00 H new ATOM 0 HA LEU B 56 -0.269 2.593 -22.372 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -2.133 0.327 -22.986 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -0.667 0.447 -23.939 1.00 0.00 H new ATOM 0 HG LEU B 56 -0.772 0.262 -20.915 1.00 0.00 H new ATOM 0 HD11 LEU B 56 0.112 -2.015 -21.248 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -1.495 -1.815 -21.988 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -0.038 -1.810 -23.009 1.00 0.00 H new ATOM 0 HD21 LEU B 56 1.659 -0.102 -21.088 1.00 0.00 H new ATOM 0 HD22 LEU B 56 1.572 0.179 -22.843 1.00 0.00 H new ATOM 0 HD23 LEU B 56 1.185 1.496 -21.711 1.00 0.00 H new