USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 972 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: B 19 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 20 MET CE :methyl -112:sc= -1.53 (180deg=-4.47!) USER MOD Set 2.1: A 19 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 20 MET CE :methyl -119:sc= -2.32! (180deg=-6.11!) USER MOD Single : A 1 MET CE :methyl 148:sc= -3.63 (180deg=-5.66!) USER MOD Single : A 1 MET N :NH3+ -158:sc=-0.00745 (180deg=-0.231) USER MOD Single : A 3 MET CE :methyl -147:sc= -2.65 (180deg=-4.29!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.22 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -1.4 K(o=-1.4,f=-0.039) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot -24:sc= 0.269 USER MOD Single : A 23 GLN : amide:sc= 0.333 K(o=0.33,f=-6.9!) USER MOD Single : A 28 THR OG1 : rot 69:sc= 0.54 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 32 HIS : no HD1:sc= -0.732 X(o=-0.73,f=-1.2) USER MOD Single : A 33 ASN : amide:sc= -0.493 K(o=-0.49,f=-2.1) USER MOD Single : A 34 GLN : amide:sc= -0.653 K(o=-0.65,f=-2.7) USER MOD Single : A 35 SER OG : rot 149:sc= 0.0225 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0562 USER MOD Single : A 44 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.23) USER MOD Single : A 58 ASN : amide:sc= -0.0476 K(o=-0.048,f=-1.8!) USER MOD Single : B 1 MET CE :methyl 148:sc= -4.18! (180deg=-6.52!) USER MOD Single : B 1 MET N :NH3+ -158:sc= 0 (180deg=-0.158) USER MOD Single : B 3 MET CE :methyl -149:sc= -3.76 (180deg=-5.49!) USER MOD Single : B 5 THR OG1 : rot 180:sc=0.000619 USER MOD Single : B 6 SER OG : rot 35:sc= 0.124 USER MOD Single : B 9 ASN : amide:sc= -0.72 K(o=-0.72,f=-0.091) USER MOD Single : B 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 22 THR OG1 : rot -24:sc= 0.239 USER MOD Single : B 23 GLN : amide:sc= -0.177 K(o=-0.18,f=-5.2!) USER MOD Single : B 28 THR OG1 : rot 69:sc= 0.718 USER MOD Single : B 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 31 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : B 32 HIS : no HD1:sc= -1.03 K(o=-1,f=-1.7) USER MOD Single : B 33 ASN : amide:sc= -0.217 K(o=-0.22,f=-2) USER MOD Single : B 34 GLN : amide:sc= -0.663 K(o=-0.66,f=-1.7) USER MOD Single : B 35 SER OG : rot 149:sc= 0.0402 USER MOD Single : B 43 SER OG : rot 180:sc= 0.0607 USER MOD Single : B 44 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.22) USER MOD Single : B 58 ASN : amide:sc= -0.0141 K(o=-0.014,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.309 -11.109 -4.273 1.00 0.00 N ATOM 2 CA MET A 1 -1.552 -10.266 -5.191 1.00 0.00 C ATOM 3 C MET A 1 -1.665 -10.783 -6.622 1.00 0.00 C ATOM 4 O MET A 1 -1.313 -11.928 -6.908 1.00 0.00 O ATOM 5 CB MET A 1 -0.082 -10.209 -4.771 1.00 0.00 C ATOM 6 CG MET A 1 0.133 -9.611 -3.390 1.00 0.00 C ATOM 7 SD MET A 1 1.213 -8.168 -3.419 1.00 0.00 S ATOM 8 CE MET A 1 0.325 -7.103 -4.553 1.00 0.00 C ATOM 0 H1 MET A 1 -2.534 -10.570 -3.413 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.191 -11.416 -4.731 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.742 -11.943 -4.020 1.00 0.00 H new ATOM 0 HA MET A 1 -1.972 -9.261 -5.152 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.332 -11.217 -4.790 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.474 -9.622 -5.502 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.831 -9.330 -2.966 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.562 -10.368 -2.733 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.484 -6.061 -4.274 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.690 -7.267 -5.567 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.740 -7.332 -4.509 1.00 0.00 H new ATOM 18 N LEU A 2 -2.157 -9.932 -7.516 1.00 0.00 N ATOM 19 CA LEU A 2 -2.317 -10.303 -8.918 1.00 0.00 C ATOM 20 C LEU A 2 -1.508 -9.378 -9.821 1.00 0.00 C ATOM 21 O LEU A 2 -1.736 -8.169 -9.850 1.00 0.00 O ATOM 22 CB LEU A 2 -3.794 -10.258 -9.313 1.00 0.00 C ATOM 23 CG LEU A 2 -4.280 -11.386 -10.223 1.00 0.00 C ATOM 24 CD1 LEU A 2 -5.744 -11.189 -10.583 1.00 0.00 C ATOM 25 CD2 LEU A 2 -3.425 -11.463 -11.480 1.00 0.00 C ATOM 0 H LEU A 2 -2.452 -8.981 -7.295 1.00 0.00 H new ATOM 0 HA LEU A 2 -1.945 -11.320 -9.044 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.393 -10.269 -8.403 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -3.988 -9.308 -9.811 1.00 0.00 H new ATOM 0 HG LEU A 2 -4.184 -12.328 -9.684 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.072 -12.002 -11.231 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.345 -11.185 -9.674 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.866 -10.239 -11.103 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -3.785 -12.271 -12.116 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -3.489 -10.519 -12.022 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.388 -11.653 -11.204 1.00 0.00 H new ATOM 37 N MET A 3 -0.565 -9.955 -10.558 1.00 0.00 N ATOM 38 CA MET A 3 0.275 -9.182 -11.465 1.00 0.00 C ATOM 39 C MET A 3 -0.574 -8.437 -12.491 1.00 0.00 C ATOM 40 O MET A 3 -1.269 -9.053 -13.299 1.00 0.00 O ATOM 41 CB MET A 3 1.270 -10.098 -12.180 1.00 0.00 C ATOM 42 CG MET A 3 2.625 -9.453 -12.422 1.00 0.00 C ATOM 43 SD MET A 3 3.461 -10.117 -13.875 1.00 0.00 S ATOM 44 CE MET A 3 3.733 -8.622 -14.822 1.00 0.00 C ATOM 0 H MET A 3 -0.363 -10.955 -10.545 1.00 0.00 H new ATOM 0 HA MET A 3 0.826 -8.450 -10.874 1.00 0.00 H new ATOM 0 HB2 MET A 3 1.408 -11.003 -11.588 1.00 0.00 H new ATOM 0 HB3 MET A 3 0.847 -10.404 -13.137 1.00 0.00 H new ATOM 0 HG2 MET A 3 2.495 -8.378 -12.542 1.00 0.00 H new ATOM 0 HG3 MET A 3 3.255 -9.602 -11.545 1.00 0.00 H new ATOM 0 HE1 MET A 3 3.675 -8.850 -15.886 1.00 0.00 H new ATOM 0 HE2 MET A 3 2.971 -7.886 -14.567 1.00 0.00 H new ATOM 0 HE3 MET A 3 4.719 -8.219 -14.590 1.00 0.00 H new ATOM 54 N ILE A 4 -0.513 -7.110 -12.451 1.00 0.00 N ATOM 55 CA ILE A 4 -1.276 -6.283 -13.378 1.00 0.00 C ATOM 56 C ILE A 4 -0.657 -6.304 -14.772 1.00 0.00 C ATOM 57 O ILE A 4 -1.339 -6.571 -15.762 1.00 0.00 O ATOM 58 CB ILE A 4 -1.364 -4.825 -12.890 1.00 0.00 C ATOM 59 CG1 ILE A 4 -2.170 -4.747 -11.592 1.00 0.00 C ATOM 60 CG2 ILE A 4 -1.988 -3.944 -13.962 1.00 0.00 C ATOM 61 CD1 ILE A 4 -3.519 -5.426 -11.676 1.00 0.00 C ATOM 0 H ILE A 4 0.056 -6.585 -11.787 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.280 -6.704 -13.423 1.00 0.00 H new ATOM 0 HB ILE A 4 -0.356 -4.462 -12.692 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.593 -5.203 -10.788 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.315 -3.700 -11.327 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.043 -2.917 -13.602 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -1.377 -3.980 -14.864 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.992 -4.303 -14.189 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.034 -5.331 -10.720 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.115 -4.956 -12.458 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.381 -6.482 -11.910 1.00 0.00 H new ATOM 73 N THR A 5 0.640 -6.024 -14.841 1.00 0.00 N ATOM 74 CA THR A 5 1.352 -6.011 -16.113 1.00 0.00 C ATOM 75 C THR A 5 2.840 -5.754 -15.908 1.00 0.00 C ATOM 76 O THR A 5 3.322 -5.709 -14.776 1.00 0.00 O ATOM 77 CB THR A 5 0.784 -4.941 -17.064 1.00 0.00 C ATOM 78 OG1 THR A 5 1.265 -5.163 -18.395 1.00 0.00 O ATOM 79 CG2 THR A 5 1.176 -3.545 -16.605 1.00 0.00 C ATOM 0 H THR A 5 1.219 -5.803 -14.031 1.00 0.00 H new ATOM 0 HA THR A 5 1.215 -6.995 -16.562 1.00 0.00 H new ATOM 0 HB THR A 5 -0.303 -5.018 -17.053 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.898 -4.480 -18.994 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.763 -2.807 -17.292 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.784 -3.368 -15.604 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.262 -3.459 -16.589 1.00 0.00 H new ATOM 87 N SER A 6 3.564 -5.584 -17.009 1.00 0.00 N ATOM 88 CA SER A 6 5.000 -5.334 -16.950 1.00 0.00 C ATOM 89 C SER A 6 5.394 -4.203 -17.895 1.00 0.00 C ATOM 90 O SER A 6 4.776 -4.011 -18.942 1.00 0.00 O ATOM 91 CB SER A 6 5.776 -6.604 -17.304 1.00 0.00 C ATOM 92 OG SER A 6 5.411 -7.084 -18.586 1.00 0.00 O ATOM 0 H SER A 6 3.180 -5.615 -17.953 1.00 0.00 H new ATOM 0 HA SER A 6 5.250 -5.037 -15.932 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.846 -6.398 -17.280 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.582 -7.373 -16.556 1.00 0.00 H new ATOM 0 HG SER A 6 5.922 -7.895 -18.789 1.00 0.00 H new ATOM 98 N PHE A 7 6.427 -3.458 -17.518 1.00 0.00 N ATOM 99 CA PHE A 7 6.905 -2.345 -18.331 1.00 0.00 C ATOM 100 C PHE A 7 8.413 -2.437 -18.547 1.00 0.00 C ATOM 101 O PHE A 7 9.115 -3.128 -17.809 1.00 0.00 O ATOM 102 CB PHE A 7 6.554 -1.013 -17.665 1.00 0.00 C ATOM 103 CG PHE A 7 5.088 -0.689 -17.710 1.00 0.00 C ATOM 104 CD1 PHE A 7 4.231 -1.156 -16.726 1.00 0.00 C ATOM 105 CD2 PHE A 7 4.566 0.083 -18.735 1.00 0.00 C ATOM 106 CE1 PHE A 7 2.882 -0.859 -16.763 1.00 0.00 C ATOM 107 CE2 PHE A 7 3.218 0.384 -18.778 1.00 0.00 C ATOM 108 CZ PHE A 7 2.375 -0.089 -17.791 1.00 0.00 C ATOM 0 H PHE A 7 6.950 -3.604 -16.654 1.00 0.00 H new ATOM 0 HA PHE A 7 6.413 -2.399 -19.302 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.881 -1.038 -16.625 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.110 -0.213 -18.154 1.00 0.00 H new ATOM 0 HD1 PHE A 7 4.622 -1.759 -15.920 1.00 0.00 H new ATOM 0 HD2 PHE A 7 5.220 0.454 -19.510 1.00 0.00 H new ATOM 0 HE1 PHE A 7 2.225 -1.228 -15.989 1.00 0.00 H new ATOM 0 HE2 PHE A 7 2.824 0.988 -19.582 1.00 0.00 H new ATOM 0 HZ PHE A 7 1.321 0.143 -17.823 1.00 0.00 H new ATOM 118 N ALA A 8 8.902 -1.736 -19.564 1.00 0.00 N ATOM 119 CA ALA A 8 10.326 -1.737 -19.877 1.00 0.00 C ATOM 120 C ALA A 8 10.957 -0.384 -19.563 1.00 0.00 C ATOM 121 O ALA A 8 12.055 -0.079 -20.027 1.00 0.00 O ATOM 122 CB ALA A 8 10.544 -2.097 -21.339 1.00 0.00 C ATOM 0 H ALA A 8 8.334 -1.160 -20.185 1.00 0.00 H new ATOM 0 HA ALA A 8 10.810 -2.488 -19.253 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.612 -2.094 -21.559 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.136 -3.089 -21.534 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.041 -1.366 -21.973 1.00 0.00 H new ATOM 128 N ASN A 9 10.256 0.422 -18.773 1.00 0.00 N ATOM 129 CA ASN A 9 10.749 1.743 -18.399 1.00 0.00 C ATOM 130 C ASN A 9 10.287 2.118 -16.994 1.00 0.00 C ATOM 131 O ASN A 9 9.152 1.853 -16.595 1.00 0.00 O ATOM 132 CB ASN A 9 10.268 2.793 -19.403 1.00 0.00 C ATOM 133 CG ASN A 9 11.346 3.176 -20.399 1.00 0.00 C ATOM 134 OD1 ASN A 9 11.454 2.584 -21.472 1.00 0.00 O ATOM 135 ND2 ASN A 9 12.150 4.172 -20.046 1.00 0.00 N ATOM 0 H ASN A 9 9.346 0.184 -18.379 1.00 0.00 H new ATOM 0 HA ASN A 9 11.839 1.713 -18.409 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.401 2.408 -19.940 1.00 0.00 H new ATOM 0 HB3 ASN A 9 9.941 3.683 -18.865 1.00 0.00 H new ATOM 0 HD21 ASN A 9 12.894 4.474 -20.675 1.00 0.00 H new ATOM 0 HD22 ASN A 9 12.024 4.635 -19.146 1.00 0.00 H new ATOM 142 N PRO A 10 11.185 2.750 -16.225 1.00 0.00 N ATOM 143 CA PRO A 10 10.893 3.176 -14.853 1.00 0.00 C ATOM 144 C PRO A 10 9.895 4.328 -14.804 1.00 0.00 C ATOM 145 O PRO A 10 8.913 4.280 -14.063 1.00 0.00 O ATOM 146 CB PRO A 10 12.256 3.627 -14.323 1.00 0.00 C ATOM 147 CG PRO A 10 13.026 4.013 -15.538 1.00 0.00 C ATOM 148 CD PRO A 10 12.556 3.098 -16.635 1.00 0.00 C ATOM 0 HA PRO A 10 10.436 2.378 -14.268 1.00 0.00 H new ATOM 0 HB2 PRO A 10 12.155 4.466 -13.635 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.753 2.825 -13.777 1.00 0.00 H new ATOM 0 HG2 PRO A 10 12.848 5.057 -15.797 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.098 3.904 -15.372 1.00 0.00 H new ATOM 0 HD2 PRO A 10 12.572 3.593 -17.606 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.187 2.213 -16.718 1.00 0.00 H new ATOM 156 N ARG A 11 10.152 5.362 -15.598 1.00 0.00 N ATOM 157 CA ARG A 11 9.277 6.527 -15.644 1.00 0.00 C ATOM 158 C ARG A 11 7.829 6.109 -15.889 1.00 0.00 C ATOM 159 O ARG A 11 6.916 6.563 -15.199 1.00 0.00 O ATOM 160 CB ARG A 11 9.733 7.491 -16.741 1.00 0.00 C ATOM 161 CG ARG A 11 9.919 6.828 -18.096 1.00 0.00 C ATOM 162 CD ARG A 11 10.751 7.693 -19.030 1.00 0.00 C ATOM 163 NE ARG A 11 11.287 6.929 -20.152 1.00 0.00 N ATOM 164 CZ ARG A 11 10.588 6.636 -21.243 1.00 0.00 C ATOM 165 NH1 ARG A 11 9.331 7.042 -21.358 1.00 0.00 N ATOM 166 NH2 ARG A 11 11.146 5.935 -22.222 1.00 0.00 N ATOM 0 H ARG A 11 10.960 5.417 -16.219 1.00 0.00 H new ATOM 0 HA ARG A 11 9.334 7.032 -14.680 1.00 0.00 H new ATOM 0 HB2 ARG A 11 9.001 8.293 -16.836 1.00 0.00 H new ATOM 0 HB3 ARG A 11 10.673 7.952 -16.440 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.404 5.861 -17.965 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.945 6.638 -18.546 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.138 8.511 -19.409 1.00 0.00 H new ATOM 0 HD3 ARG A 11 11.573 8.142 -18.472 1.00 0.00 H new ATOM 0 HE ARG A 11 12.251 6.602 -20.095 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.898 7.581 -20.608 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.797 6.816 -22.197 1.00 0.00 H new ATOM 0 HH21 ARG A 11 12.113 5.621 -22.137 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.608 5.711 -23.059 1.00 0.00 H new ATOM 180 N VAL A 12 7.628 5.242 -16.875 1.00 0.00 N ATOM 181 CA VAL A 12 6.292 4.762 -17.211 1.00 0.00 C ATOM 182 C VAL A 12 5.648 4.055 -16.024 1.00 0.00 C ATOM 183 O VAL A 12 4.511 4.348 -15.656 1.00 0.00 O ATOM 184 CB VAL A 12 6.327 3.799 -18.412 1.00 0.00 C ATOM 185 CG1 VAL A 12 4.936 3.256 -18.701 1.00 0.00 C ATOM 186 CG2 VAL A 12 6.902 4.494 -19.636 1.00 0.00 C ATOM 0 H VAL A 12 8.373 4.857 -17.456 1.00 0.00 H new ATOM 0 HA VAL A 12 5.698 5.637 -17.475 1.00 0.00 H new ATOM 0 HB VAL A 12 6.975 2.959 -18.163 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.980 2.577 -19.553 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.566 2.719 -17.828 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.263 4.082 -18.930 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.919 3.798 -20.475 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.283 5.354 -19.890 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.917 4.828 -19.421 1.00 0.00 H new ATOM 196 N ALA A 13 6.383 3.122 -15.428 1.00 0.00 N ATOM 197 CA ALA A 13 5.885 2.374 -14.280 1.00 0.00 C ATOM 198 C ALA A 13 5.357 3.313 -13.201 1.00 0.00 C ATOM 199 O ALA A 13 4.212 3.191 -12.766 1.00 0.00 O ATOM 200 CB ALA A 13 6.980 1.481 -13.716 1.00 0.00 C ATOM 0 H ALA A 13 7.326 2.866 -15.721 1.00 0.00 H new ATOM 0 HA ALA A 13 5.059 1.748 -14.616 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.594 0.929 -12.859 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.308 0.779 -14.483 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.824 2.095 -13.401 1.00 0.00 H new ATOM 206 N GLN A 14 6.199 4.247 -12.772 1.00 0.00 N ATOM 207 CA GLN A 14 5.816 5.205 -11.741 1.00 0.00 C ATOM 208 C GLN A 14 4.558 5.966 -12.146 1.00 0.00 C ATOM 209 O GLN A 14 3.599 6.050 -11.379 1.00 0.00 O ATOM 210 CB GLN A 14 6.959 6.188 -11.480 1.00 0.00 C ATOM 211 CG GLN A 14 6.634 7.230 -10.421 1.00 0.00 C ATOM 212 CD GLN A 14 7.244 6.900 -9.072 1.00 0.00 C ATOM 213 OE1 GLN A 14 8.270 7.462 -8.687 1.00 0.00 O ATOM 214 NE2 GLN A 14 6.613 5.985 -8.345 1.00 0.00 N ATOM 0 H GLN A 14 7.150 4.361 -13.122 1.00 0.00 H new ATOM 0 HA GLN A 14 5.605 4.652 -10.826 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.843 5.631 -11.171 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.211 6.695 -12.411 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.996 8.204 -10.751 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.552 7.311 -10.316 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.766 5.545 -8.703 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.976 5.723 -7.428 1.00 0.00 H new ATOM 223 N ALA A 15 4.569 6.519 -13.354 1.00 0.00 N ATOM 224 CA ALA A 15 3.428 7.271 -13.861 1.00 0.00 C ATOM 225 C ALA A 15 2.139 6.465 -13.735 1.00 0.00 C ATOM 226 O ALA A 15 1.116 6.978 -13.282 1.00 0.00 O ATOM 227 CB ALA A 15 3.662 7.673 -15.309 1.00 0.00 C ATOM 0 H ALA A 15 5.356 6.460 -14.000 1.00 0.00 H new ATOM 0 HA ALA A 15 3.322 8.173 -13.258 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.802 8.234 -15.674 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.555 8.295 -15.374 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.797 6.779 -15.918 1.00 0.00 H new ATOM 233 N PHE A 16 2.196 5.200 -14.139 1.00 0.00 N ATOM 234 CA PHE A 16 1.033 4.324 -14.073 1.00 0.00 C ATOM 235 C PHE A 16 0.513 4.216 -12.643 1.00 0.00 C ATOM 236 O PHE A 16 -0.619 4.600 -12.351 1.00 0.00 O ATOM 237 CB PHE A 16 1.385 2.933 -14.606 1.00 0.00 C ATOM 238 CG PHE A 16 0.963 2.713 -16.031 1.00 0.00 C ATOM 239 CD1 PHE A 16 1.755 3.154 -17.078 1.00 0.00 C ATOM 240 CD2 PHE A 16 -0.226 2.064 -16.323 1.00 0.00 C ATOM 241 CE1 PHE A 16 1.371 2.953 -18.390 1.00 0.00 C ATOM 242 CE2 PHE A 16 -0.616 1.859 -17.633 1.00 0.00 C ATOM 243 CZ PHE A 16 0.183 2.305 -18.668 1.00 0.00 C ATOM 0 H PHE A 16 3.035 4.759 -14.515 1.00 0.00 H new ATOM 0 HA PHE A 16 0.248 4.756 -14.694 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.462 2.784 -14.527 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.912 2.180 -13.975 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.685 3.661 -16.866 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.855 1.714 -15.518 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.999 3.302 -19.197 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.544 1.351 -17.847 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.121 2.147 -19.692 1.00 0.00 H new ATOM 253 N VAL A 17 1.350 3.690 -11.754 1.00 0.00 N ATOM 254 CA VAL A 17 0.977 3.531 -10.353 1.00 0.00 C ATOM 255 C VAL A 17 0.575 4.867 -9.737 1.00 0.00 C ATOM 256 O VAL A 17 -0.151 4.910 -8.744 1.00 0.00 O ATOM 257 CB VAL A 17 2.129 2.925 -9.531 1.00 0.00 C ATOM 258 CG1 VAL A 17 2.444 1.516 -10.009 1.00 0.00 C ATOM 259 CG2 VAL A 17 3.363 3.811 -9.610 1.00 0.00 C ATOM 0 H VAL A 17 2.291 3.367 -11.979 1.00 0.00 H new ATOM 0 HA VAL A 17 0.126 2.851 -10.327 1.00 0.00 H new ATOM 0 HB VAL A 17 1.816 2.868 -8.488 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.261 1.105 -9.416 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.561 0.887 -9.896 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.737 1.545 -11.059 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.167 3.368 -9.023 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.679 3.902 -10.649 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.127 4.799 -9.214 1.00 0.00 H new ATOM 269 N ASP A 18 1.051 5.954 -10.333 1.00 0.00 N ATOM 270 CA ASP A 18 0.740 7.292 -9.845 1.00 0.00 C ATOM 271 C ASP A 18 -0.731 7.626 -10.073 1.00 0.00 C ATOM 272 O ASP A 18 -1.470 7.899 -9.126 1.00 0.00 O ATOM 273 CB ASP A 18 1.624 8.330 -10.537 1.00 0.00 C ATOM 274 CG ASP A 18 1.604 9.672 -9.832 1.00 0.00 C ATOM 275 OD1 ASP A 18 1.257 9.707 -8.633 1.00 0.00 O ATOM 276 OD2 ASP A 18 1.935 10.687 -10.479 1.00 0.00 O ATOM 0 H ASP A 18 1.654 5.935 -11.155 1.00 0.00 H new ATOM 0 HA ASP A 18 0.938 7.315 -8.773 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.649 7.960 -10.579 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.290 8.459 -11.566 1.00 0.00 H new ATOM 281 N TYR A 19 -1.149 7.602 -11.333 1.00 0.00 N ATOM 282 CA TYR A 19 -2.531 7.905 -11.686 1.00 0.00 C ATOM 283 C TYR A 19 -3.482 6.859 -11.113 1.00 0.00 C ATOM 284 O TYR A 19 -4.671 7.119 -10.929 1.00 0.00 O ATOM 285 CB TYR A 19 -2.688 7.975 -13.206 1.00 0.00 C ATOM 286 CG TYR A 19 -3.168 6.682 -13.825 1.00 0.00 C ATOM 287 CD1 TYR A 19 -4.518 6.356 -13.843 1.00 0.00 C ATOM 288 CD2 TYR A 19 -2.270 5.784 -14.391 1.00 0.00 C ATOM 289 CE1 TYR A 19 -4.962 5.176 -14.407 1.00 0.00 C ATOM 290 CE2 TYR A 19 -2.705 4.602 -14.959 1.00 0.00 C ATOM 291 CZ TYR A 19 -4.051 4.302 -14.964 1.00 0.00 C ATOM 292 OH TYR A 19 -4.487 3.125 -15.527 1.00 0.00 O ATOM 0 H TYR A 19 -0.551 7.376 -12.128 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.784 8.874 -11.256 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.391 8.770 -13.454 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.730 8.247 -13.650 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.234 7.038 -13.408 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.215 6.014 -14.387 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.016 4.939 -14.412 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.995 3.917 -15.397 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.719 2.625 -15.875 1.00 0.00 H new ATOM 302 N MET A 20 -2.948 5.675 -10.832 1.00 0.00 N ATOM 303 CA MET A 20 -3.748 4.589 -10.278 1.00 0.00 C ATOM 304 C MET A 20 -3.984 4.794 -8.785 1.00 0.00 C ATOM 305 O MET A 20 -5.075 4.536 -8.278 1.00 0.00 O ATOM 306 CB MET A 20 -3.058 3.245 -10.517 1.00 0.00 C ATOM 307 CG MET A 20 -2.915 2.888 -11.988 1.00 0.00 C ATOM 308 SD MET A 20 -3.928 1.473 -12.460 1.00 0.00 S ATOM 309 CE MET A 20 -5.549 2.230 -12.544 1.00 0.00 C ATOM 0 H MET A 20 -1.966 5.443 -10.979 1.00 0.00 H new ATOM 0 HA MET A 20 -4.714 4.588 -10.784 1.00 0.00 H new ATOM 0 HB2 MET A 20 -2.069 3.267 -10.059 1.00 0.00 H new ATOM 0 HB3 MET A 20 -3.624 2.461 -10.015 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.194 3.749 -12.596 1.00 0.00 H new ATOM 0 HG3 MET A 20 -1.869 2.670 -12.205 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.211 1.753 -11.822 1.00 0.00 H new ATOM 0 HE2 MET A 20 -5.467 3.292 -12.314 1.00 0.00 H new ATOM 0 HE3 MET A 20 -5.957 2.107 -13.547 1.00 0.00 H new ATOM 319 N ALA A 21 -2.953 5.259 -8.086 1.00 0.00 N ATOM 320 CA ALA A 21 -3.049 5.501 -6.652 1.00 0.00 C ATOM 321 C ALA A 21 -3.964 6.684 -6.355 1.00 0.00 C ATOM 322 O ALA A 21 -4.778 6.636 -5.432 1.00 0.00 O ATOM 323 CB ALA A 21 -1.667 5.739 -6.063 1.00 0.00 C ATOM 0 H ALA A 21 -2.042 5.475 -8.490 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.482 4.615 -6.187 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.754 5.918 -4.991 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.042 4.862 -6.235 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.213 6.607 -6.540 1.00 0.00 H new ATOM 329 N THR A 22 -3.825 7.746 -7.141 1.00 0.00 N ATOM 330 CA THR A 22 -4.638 8.943 -6.961 1.00 0.00 C ATOM 331 C THR A 22 -6.095 8.676 -7.319 1.00 0.00 C ATOM 332 O THR A 22 -6.975 9.481 -7.015 1.00 0.00 O ATOM 333 CB THR A 22 -4.116 10.111 -7.818 1.00 0.00 C ATOM 334 OG1 THR A 22 -4.812 11.316 -7.480 1.00 0.00 O ATOM 335 CG2 THR A 22 -4.292 9.816 -9.300 1.00 0.00 C ATOM 0 H THR A 22 -3.157 7.802 -7.909 1.00 0.00 H new ATOM 0 HA THR A 22 -4.569 9.216 -5.908 1.00 0.00 H new ATOM 0 HB THR A 22 -3.053 10.236 -7.613 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.682 11.092 -7.089 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.916 10.655 -9.885 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.737 8.915 -9.560 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.349 9.666 -9.518 1.00 0.00 H new ATOM 343 N GLN A 23 -6.343 7.542 -7.967 1.00 0.00 N ATOM 344 CA GLN A 23 -7.696 7.171 -8.366 1.00 0.00 C ATOM 345 C GLN A 23 -8.345 6.272 -7.319 1.00 0.00 C ATOM 346 O GLN A 23 -9.515 5.911 -7.436 1.00 0.00 O ATOM 347 CB GLN A 23 -7.673 6.462 -9.721 1.00 0.00 C ATOM 348 CG GLN A 23 -7.684 7.414 -10.906 1.00 0.00 C ATOM 349 CD GLN A 23 -8.965 8.221 -10.995 1.00 0.00 C ATOM 350 OE1 GLN A 23 -9.996 7.722 -11.446 1.00 0.00 O ATOM 351 NE2 GLN A 23 -8.906 9.475 -10.563 1.00 0.00 N ATOM 0 H GLN A 23 -5.626 6.865 -8.227 1.00 0.00 H new ATOM 0 HA GLN A 23 -8.287 8.083 -8.451 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.784 5.834 -9.778 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.536 5.800 -9.790 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.835 8.094 -10.829 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.553 6.844 -11.826 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.030 9.848 -10.197 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.737 10.066 -10.597 1.00 0.00 H new ATOM 360 N GLY A 24 -7.576 5.913 -6.295 1.00 0.00 N ATOM 361 CA GLY A 24 -8.094 5.059 -5.242 1.00 0.00 C ATOM 362 C GLY A 24 -7.626 3.623 -5.378 1.00 0.00 C ATOM 363 O GLY A 24 -8.144 2.728 -4.710 1.00 0.00 O ATOM 0 H GLY A 24 -6.604 6.198 -6.176 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.781 5.450 -4.274 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.184 5.086 -5.259 1.00 0.00 H new ATOM 367 N VAL A 25 -6.646 3.402 -6.248 1.00 0.00 N ATOM 368 CA VAL A 25 -6.109 2.065 -6.471 1.00 0.00 C ATOM 369 C VAL A 25 -4.599 2.037 -6.263 1.00 0.00 C ATOM 370 O VAL A 25 -3.844 2.617 -7.044 1.00 0.00 O ATOM 371 CB VAL A 25 -6.430 1.560 -7.890 1.00 0.00 C ATOM 372 CG1 VAL A 25 -6.218 0.057 -7.984 1.00 0.00 C ATOM 373 CG2 VAL A 25 -7.854 1.931 -8.278 1.00 0.00 C ATOM 0 H VAL A 25 -6.208 4.132 -6.810 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.585 1.408 -5.743 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.749 2.043 -8.591 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.450 -0.281 -8.994 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.180 -0.179 -7.752 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.872 -0.448 -7.273 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.064 1.566 -9.284 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.553 1.478 -7.575 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.967 3.015 -8.254 1.00 0.00 H new ATOM 383 N ILE A 26 -4.165 1.359 -5.206 1.00 0.00 N ATOM 384 CA ILE A 26 -2.745 1.254 -4.896 1.00 0.00 C ATOM 385 C ILE A 26 -2.077 0.171 -5.738 1.00 0.00 C ATOM 386 O ILE A 26 -2.584 -0.946 -5.848 1.00 0.00 O ATOM 387 CB ILE A 26 -2.515 0.944 -3.406 1.00 0.00 C ATOM 388 CG1 ILE A 26 -3.121 2.045 -2.534 1.00 0.00 C ATOM 389 CG2 ILE A 26 -1.028 0.791 -3.119 1.00 0.00 C ATOM 390 CD1 ILE A 26 -2.526 3.413 -2.788 1.00 0.00 C ATOM 0 H ILE A 26 -4.777 0.874 -4.550 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.299 2.221 -5.130 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.010 0.003 -3.166 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.196 2.087 -2.710 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.980 1.785 -1.485 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.882 0.572 -2.061 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.624 -0.025 -3.718 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.511 1.717 -3.372 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.003 4.144 -2.135 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.456 3.388 -2.584 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.690 3.694 -3.828 1.00 0.00 H new ATOM 402 N LEU A 27 -0.937 0.509 -6.329 1.00 0.00 N ATOM 403 CA LEU A 27 -0.197 -0.435 -7.160 1.00 0.00 C ATOM 404 C LEU A 27 1.253 -0.546 -6.699 1.00 0.00 C ATOM 405 O LEU A 27 1.762 0.329 -5.998 1.00 0.00 O ATOM 406 CB LEU A 27 -0.246 -0.001 -8.626 1.00 0.00 C ATOM 407 CG LEU A 27 -1.460 -0.475 -9.426 1.00 0.00 C ATOM 408 CD1 LEU A 27 -1.426 -1.985 -9.603 1.00 0.00 C ATOM 409 CD2 LEU A 27 -2.750 -0.045 -8.744 1.00 0.00 C ATOM 0 H LEU A 27 -0.504 1.429 -6.249 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.666 -1.414 -7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.214 1.088 -8.663 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.655 -0.363 -9.122 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.423 -0.013 -10.413 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.298 -2.304 -10.175 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.519 -2.268 -10.136 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.437 -2.466 -8.625 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.603 -0.391 -9.328 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.795 -0.477 -7.744 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.778 1.042 -8.671 1.00 0.00 H new ATOM 421 N THR A 28 1.915 -1.627 -7.100 1.00 0.00 N ATOM 422 CA THR A 28 3.306 -1.853 -6.730 1.00 0.00 C ATOM 423 C THR A 28 4.167 -2.112 -7.960 1.00 0.00 C ATOM 424 O THR A 28 3.737 -2.781 -8.900 1.00 0.00 O ATOM 425 CB THR A 28 3.443 -3.042 -5.760 1.00 0.00 C ATOM 426 OG1 THR A 28 2.155 -3.417 -5.259 1.00 0.00 O ATOM 427 CG2 THR A 28 4.362 -2.691 -4.600 1.00 0.00 C ATOM 0 H THR A 28 1.509 -2.360 -7.682 1.00 0.00 H new ATOM 0 HA THR A 28 3.652 -0.947 -6.233 1.00 0.00 H new ATOM 0 HB THR A 28 3.877 -3.879 -6.306 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.626 -3.815 -5.982 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.443 -3.546 -3.929 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.350 -2.435 -4.983 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.952 -1.840 -4.056 1.00 0.00 H new ATOM 435 N ILE A 29 5.385 -1.581 -7.947 1.00 0.00 N ATOM 436 CA ILE A 29 6.307 -1.757 -9.062 1.00 0.00 C ATOM 437 C ILE A 29 7.568 -2.494 -8.621 1.00 0.00 C ATOM 438 O ILE A 29 8.059 -2.292 -7.511 1.00 0.00 O ATOM 439 CB ILE A 29 6.707 -0.405 -9.682 1.00 0.00 C ATOM 440 CG1 ILE A 29 5.480 0.290 -10.277 1.00 0.00 C ATOM 441 CG2 ILE A 29 7.777 -0.605 -10.744 1.00 0.00 C ATOM 442 CD1 ILE A 29 4.920 -0.411 -11.495 1.00 0.00 C ATOM 0 H ILE A 29 5.756 -1.025 -7.176 1.00 0.00 H new ATOM 0 HA ILE A 29 5.785 -2.351 -9.812 1.00 0.00 H new ATOM 0 HB ILE A 29 7.117 0.231 -8.898 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.703 0.353 -9.515 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.746 1.312 -10.546 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.049 0.360 -11.173 1.00 0.00 H new ATOM 0 HG22 ILE A 29 8.657 -1.062 -10.292 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.393 -1.256 -11.530 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.053 0.137 -11.863 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.681 -0.451 -12.274 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.622 -1.425 -11.227 1.00 0.00 H new ATOM 454 N GLN A 30 8.086 -3.346 -9.500 1.00 0.00 N ATOM 455 CA GLN A 30 9.290 -4.112 -9.201 1.00 0.00 C ATOM 456 C GLN A 30 10.380 -3.835 -10.231 1.00 0.00 C ATOM 457 O GLN A 30 10.330 -4.342 -11.352 1.00 0.00 O ATOM 458 CB GLN A 30 8.973 -5.608 -9.166 1.00 0.00 C ATOM 459 CG GLN A 30 8.813 -6.163 -7.760 1.00 0.00 C ATOM 460 CD GLN A 30 9.844 -7.224 -7.430 1.00 0.00 C ATOM 461 OE1 GLN A 30 9.614 -8.416 -7.635 1.00 0.00 O ATOM 462 NE2 GLN A 30 10.991 -6.795 -6.916 1.00 0.00 N ATOM 0 H GLN A 30 7.691 -3.523 -10.424 1.00 0.00 H new ATOM 0 HA GLN A 30 9.654 -3.802 -8.221 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.056 -5.790 -9.726 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.770 -6.152 -9.674 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.893 -5.348 -7.041 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.814 -6.586 -7.652 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.140 -5.798 -6.763 1.00 0.00 H new ATOM 0 HE22 GLN A 30 11.723 -7.463 -6.675 1.00 0.00 H new ATOM 471 N GLN A 31 11.363 -3.029 -9.844 1.00 0.00 N ATOM 472 CA GLN A 31 12.465 -2.685 -10.735 1.00 0.00 C ATOM 473 C GLN A 31 13.615 -3.675 -10.585 1.00 0.00 C ATOM 474 O GLN A 31 14.314 -3.682 -9.571 1.00 0.00 O ATOM 475 CB GLN A 31 12.957 -1.265 -10.447 1.00 0.00 C ATOM 476 CG GLN A 31 13.077 -0.399 -11.690 1.00 0.00 C ATOM 477 CD GLN A 31 14.161 0.653 -11.566 1.00 0.00 C ATOM 478 OE1 GLN A 31 14.274 1.327 -10.541 1.00 0.00 O ATOM 479 NE2 GLN A 31 14.966 0.801 -12.611 1.00 0.00 N ATOM 0 H GLN A 31 11.419 -2.602 -8.919 1.00 0.00 H new ATOM 0 HA GLN A 31 12.099 -2.734 -11.761 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.272 -0.787 -9.746 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.929 -1.319 -9.956 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.288 -1.033 -12.551 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.122 0.090 -11.881 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.837 0.221 -13.440 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.714 1.494 -12.585 1.00 0.00 H new ATOM 488 N HIS A 32 13.807 -4.509 -11.602 1.00 0.00 N ATOM 489 CA HIS A 32 14.874 -5.504 -11.584 1.00 0.00 C ATOM 490 C HIS A 32 16.241 -4.832 -11.504 1.00 0.00 C ATOM 491 O HIS A 32 16.338 -3.614 -11.358 1.00 0.00 O ATOM 492 CB HIS A 32 14.798 -6.387 -12.829 1.00 0.00 C ATOM 493 CG HIS A 32 13.514 -7.148 -12.947 1.00 0.00 C ATOM 494 ND1 HIS A 32 13.283 -8.087 -13.930 1.00 0.00 N ATOM 495 CD2 HIS A 32 12.388 -7.107 -12.196 1.00 0.00 C ATOM 496 CE1 HIS A 32 12.070 -8.589 -13.780 1.00 0.00 C ATOM 497 NE2 HIS A 32 11.507 -8.011 -12.735 1.00 0.00 N ATOM 0 H HIS A 32 13.238 -4.516 -12.449 1.00 0.00 H new ATOM 0 HA HIS A 32 14.742 -6.126 -10.699 1.00 0.00 H new ATOM 0 HB2 HIS A 32 14.924 -5.764 -13.714 1.00 0.00 H new ATOM 0 HB3 HIS A 32 15.629 -7.093 -12.815 1.00 0.00 H new ATOM 0 HD2 HIS A 32 12.215 -6.480 -11.334 1.00 0.00 H new ATOM 0 HE1 HIS A 32 11.616 -9.344 -14.406 1.00 0.00 H new ATOM 0 HE2 HIS A 32 10.569 -8.205 -12.385 1.00 0.00 H new ATOM 505 N ASN A 33 17.296 -5.635 -11.599 1.00 0.00 N ATOM 506 CA ASN A 33 18.659 -5.118 -11.536 1.00 0.00 C ATOM 507 C ASN A 33 19.671 -6.211 -11.868 1.00 0.00 C ATOM 508 O ASN A 33 19.891 -7.126 -11.076 1.00 0.00 O ATOM 509 CB ASN A 33 18.946 -4.546 -10.147 1.00 0.00 C ATOM 510 CG ASN A 33 18.682 -5.551 -9.042 1.00 0.00 C ATOM 511 OD1 ASN A 33 17.538 -5.931 -8.793 1.00 0.00 O ATOM 512 ND2 ASN A 33 19.744 -5.988 -8.374 1.00 0.00 N ATOM 0 H ASN A 33 17.234 -6.646 -11.720 1.00 0.00 H new ATOM 0 HA ASN A 33 18.754 -4.323 -12.275 1.00 0.00 H new ATOM 0 HB2 ASN A 33 19.985 -4.221 -10.098 1.00 0.00 H new ATOM 0 HB3 ASN A 33 18.328 -3.663 -9.986 1.00 0.00 H new ATOM 0 HD21 ASN A 33 19.629 -6.666 -7.621 1.00 0.00 H new ATOM 0 HD22 ASN A 33 20.674 -5.646 -8.615 1.00 0.00 H new ATOM 519 N GLN A 34 20.282 -6.106 -13.043 1.00 0.00 N ATOM 520 CA GLN A 34 21.271 -7.085 -13.479 1.00 0.00 C ATOM 521 C GLN A 34 22.348 -6.427 -14.336 1.00 0.00 C ATOM 522 O GLN A 34 22.106 -6.068 -15.488 1.00 0.00 O ATOM 523 CB GLN A 34 20.594 -8.209 -14.265 1.00 0.00 C ATOM 524 CG GLN A 34 20.266 -9.430 -13.421 1.00 0.00 C ATOM 525 CD GLN A 34 21.489 -10.015 -12.742 1.00 0.00 C ATOM 526 OE1 GLN A 34 21.829 -9.641 -11.620 1.00 0.00 O ATOM 527 NE2 GLN A 34 22.157 -10.940 -13.422 1.00 0.00 N ATOM 0 H GLN A 34 20.110 -5.354 -13.710 1.00 0.00 H new ATOM 0 HA GLN A 34 21.745 -7.505 -12.592 1.00 0.00 H new ATOM 0 HB2 GLN A 34 19.675 -7.827 -14.710 1.00 0.00 H new ATOM 0 HB3 GLN A 34 21.245 -8.510 -15.086 1.00 0.00 H new ATOM 0 HG2 GLN A 34 19.531 -9.157 -12.664 1.00 0.00 H new ATOM 0 HG3 GLN A 34 19.807 -10.191 -14.052 1.00 0.00 H new ATOM 0 HE21 GLN A 34 21.839 -11.220 -14.350 1.00 0.00 H new ATOM 0 HE22 GLN A 34 22.988 -11.370 -13.016 1.00 0.00 H new ATOM 536 N SER A 35 23.538 -6.271 -13.764 1.00 0.00 N ATOM 537 CA SER A 35 24.651 -5.652 -14.474 1.00 0.00 C ATOM 538 C SER A 35 25.550 -6.711 -15.105 1.00 0.00 C ATOM 539 O SER A 35 26.358 -7.341 -14.423 1.00 0.00 O ATOM 540 CB SER A 35 25.467 -4.776 -13.521 1.00 0.00 C ATOM 541 OG SER A 35 24.676 -4.332 -12.433 1.00 0.00 O ATOM 0 H SER A 35 23.756 -6.565 -12.812 1.00 0.00 H new ATOM 0 HA SER A 35 24.241 -5.029 -15.269 1.00 0.00 H new ATOM 0 HB2 SER A 35 26.322 -5.339 -13.147 1.00 0.00 H new ATOM 0 HB3 SER A 35 25.863 -3.916 -14.061 1.00 0.00 H new ATOM 0 HG SER A 35 25.240 -4.230 -11.638 1.00 0.00 H new ATOM 547 N ASP A 36 25.402 -6.902 -16.411 1.00 0.00 N ATOM 548 CA ASP A 36 26.200 -7.884 -17.136 1.00 0.00 C ATOM 549 C ASP A 36 27.520 -7.275 -17.601 1.00 0.00 C ATOM 550 O ASP A 36 27.541 -6.212 -18.220 1.00 0.00 O ATOM 551 CB ASP A 36 25.420 -8.420 -18.337 1.00 0.00 C ATOM 552 CG ASP A 36 26.330 -8.875 -19.461 1.00 0.00 C ATOM 553 OD1 ASP A 36 27.328 -9.567 -19.173 1.00 0.00 O ATOM 554 OD2 ASP A 36 26.043 -8.539 -20.630 1.00 0.00 O ATOM 0 H ASP A 36 24.737 -6.390 -16.990 1.00 0.00 H new ATOM 0 HA ASP A 36 26.420 -8.709 -16.458 1.00 0.00 H new ATOM 0 HB2 ASP A 36 24.796 -9.255 -18.018 1.00 0.00 H new ATOM 0 HB3 ASP A 36 24.750 -7.644 -18.707 1.00 0.00 H new ATOM 559 N VAL A 37 28.620 -7.957 -17.296 1.00 0.00 N ATOM 560 CA VAL A 37 29.943 -7.484 -17.683 1.00 0.00 C ATOM 561 C VAL A 37 30.437 -8.196 -18.938 1.00 0.00 C ATOM 562 O VAL A 37 30.555 -9.421 -18.963 1.00 0.00 O ATOM 563 CB VAL A 37 30.967 -7.694 -16.551 1.00 0.00 C ATOM 564 CG1 VAL A 37 32.264 -6.963 -16.861 1.00 0.00 C ATOM 565 CG2 VAL A 37 30.391 -7.235 -15.220 1.00 0.00 C ATOM 0 H VAL A 37 28.620 -8.838 -16.782 1.00 0.00 H new ATOM 0 HA VAL A 37 29.850 -6.417 -17.887 1.00 0.00 H new ATOM 0 HB VAL A 37 31.188 -8.759 -16.477 1.00 0.00 H new ATOM 0 HG11 VAL A 37 32.975 -7.123 -16.050 1.00 0.00 H new ATOM 0 HG12 VAL A 37 32.683 -7.345 -17.792 1.00 0.00 H new ATOM 0 HG13 VAL A 37 32.065 -5.896 -16.964 1.00 0.00 H new ATOM 0 HG21 VAL A 37 31.128 -7.391 -14.432 1.00 0.00 H new ATOM 0 HG22 VAL A 37 30.140 -6.176 -15.278 1.00 0.00 H new ATOM 0 HG23 VAL A 37 29.492 -7.809 -14.995 1.00 0.00 H new ATOM 575 N TRP A 38 30.722 -7.420 -19.977 1.00 0.00 N ATOM 576 CA TRP A 38 31.204 -7.977 -21.236 1.00 0.00 C ATOM 577 C TRP A 38 32.473 -7.268 -21.695 1.00 0.00 C ATOM 578 O TRP A 38 32.619 -6.057 -21.518 1.00 0.00 O ATOM 579 CB TRP A 38 30.124 -7.863 -22.314 1.00 0.00 C ATOM 580 CG TRP A 38 29.145 -6.757 -22.059 1.00 0.00 C ATOM 581 CD1 TRP A 38 28.318 -6.627 -20.980 1.00 0.00 C ATOM 582 CD2 TRP A 38 28.889 -5.628 -22.901 1.00 0.00 C ATOM 583 NE1 TRP A 38 27.564 -5.485 -21.100 1.00 0.00 N ATOM 584 CE2 TRP A 38 27.896 -4.854 -22.269 1.00 0.00 C ATOM 585 CE3 TRP A 38 29.404 -5.194 -24.125 1.00 0.00 C ATOM 586 CZ2 TRP A 38 27.409 -3.673 -22.823 1.00 0.00 C ATOM 587 CZ3 TRP A 38 28.919 -4.022 -24.674 1.00 0.00 C ATOM 588 CH2 TRP A 38 27.931 -3.272 -24.023 1.00 0.00 C ATOM 0 H TRP A 38 30.628 -6.404 -19.973 1.00 0.00 H new ATOM 0 HA TRP A 38 31.437 -9.029 -21.073 1.00 0.00 H new ATOM 0 HB2 TRP A 38 30.601 -7.701 -23.280 1.00 0.00 H new ATOM 0 HB3 TRP A 38 29.585 -8.808 -22.379 1.00 0.00 H new ATOM 0 HD1 TRP A 38 28.265 -7.320 -20.154 1.00 0.00 H new ATOM 0 HE1 TRP A 38 26.870 -5.160 -20.427 1.00 0.00 H new ATOM 0 HE3 TRP A 38 30.168 -5.764 -24.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 26.646 -3.094 -22.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 29.308 -3.679 -25.621 1.00 0.00 H new ATOM 0 HH2 TRP A 38 27.574 -2.359 -24.477 1.00 0.00 H new ATOM 599 N LEU A 39 33.390 -8.027 -22.285 1.00 0.00 N ATOM 600 CA LEU A 39 34.648 -7.471 -22.770 1.00 0.00 C ATOM 601 C LEU A 39 34.750 -7.595 -24.287 1.00 0.00 C ATOM 602 O LEU A 39 34.157 -8.491 -24.887 1.00 0.00 O ATOM 603 CB LEU A 39 35.831 -8.180 -22.108 1.00 0.00 C ATOM 604 CG LEU A 39 37.206 -7.899 -22.713 1.00 0.00 C ATOM 605 CD1 LEU A 39 37.612 -6.454 -22.468 1.00 0.00 C ATOM 606 CD2 LEU A 39 38.246 -8.851 -22.141 1.00 0.00 C ATOM 0 H LEU A 39 33.286 -9.030 -22.439 1.00 0.00 H new ATOM 0 HA LEU A 39 34.674 -6.413 -22.508 1.00 0.00 H new ATOM 0 HB2 LEU A 39 35.855 -7.898 -21.055 1.00 0.00 H new ATOM 0 HB3 LEU A 39 35.652 -9.255 -22.146 1.00 0.00 H new ATOM 0 HG LEU A 39 37.147 -8.061 -23.789 1.00 0.00 H new ATOM 0 HD11 LEU A 39 38.594 -6.273 -22.906 1.00 0.00 H new ATOM 0 HD12 LEU A 39 36.881 -5.788 -22.927 1.00 0.00 H new ATOM 0 HD13 LEU A 39 37.653 -6.264 -21.395 1.00 0.00 H new ATOM 0 HD21 LEU A 39 39.219 -8.636 -22.583 1.00 0.00 H new ATOM 0 HD22 LEU A 39 38.302 -8.722 -21.060 1.00 0.00 H new ATOM 0 HD23 LEU A 39 37.963 -9.879 -22.369 1.00 0.00 H new ATOM 618 N ALA A 40 35.508 -6.692 -24.900 1.00 0.00 N ATOM 619 CA ALA A 40 35.691 -6.703 -26.346 1.00 0.00 C ATOM 620 C ALA A 40 37.052 -7.280 -26.722 1.00 0.00 C ATOM 621 O ALA A 40 37.220 -7.843 -27.803 1.00 0.00 O ATOM 622 CB ALA A 40 35.538 -5.298 -26.908 1.00 0.00 C ATOM 0 H ALA A 40 36.005 -5.943 -24.418 1.00 0.00 H new ATOM 0 HA ALA A 40 34.922 -7.342 -26.780 1.00 0.00 H new ATOM 0 HB1 ALA A 40 35.677 -5.321 -27.989 1.00 0.00 H new ATOM 0 HB2 ALA A 40 34.541 -4.921 -26.679 1.00 0.00 H new ATOM 0 HB3 ALA A 40 36.286 -4.643 -26.460 1.00 0.00 H new ATOM 628 N ASP A 41 38.020 -7.134 -25.824 1.00 0.00 N ATOM 629 CA ASP A 41 39.366 -7.641 -26.061 1.00 0.00 C ATOM 630 C ASP A 41 39.496 -9.084 -25.583 1.00 0.00 C ATOM 631 O ASP A 41 39.893 -9.336 -24.446 1.00 0.00 O ATOM 632 CB ASP A 41 40.398 -6.761 -25.354 1.00 0.00 C ATOM 633 CG ASP A 41 41.812 -7.030 -25.830 1.00 0.00 C ATOM 634 OD1 ASP A 41 42.185 -8.216 -25.941 1.00 0.00 O ATOM 635 OD2 ASP A 41 42.546 -6.053 -26.092 1.00 0.00 O ATOM 0 H ASP A 41 37.897 -6.668 -24.925 1.00 0.00 H new ATOM 0 HA ASP A 41 39.553 -7.615 -27.135 1.00 0.00 H new ATOM 0 HB2 ASP A 41 40.154 -5.712 -25.524 1.00 0.00 H new ATOM 0 HB3 ASP A 41 40.341 -6.932 -24.279 1.00 0.00 H new ATOM 640 N GLU A 42 39.158 -10.025 -26.458 1.00 0.00 N ATOM 641 CA GLU A 42 39.235 -11.442 -26.123 1.00 0.00 C ATOM 642 C GLU A 42 40.591 -11.784 -25.514 1.00 0.00 C ATOM 643 O GLU A 42 40.673 -12.507 -24.520 1.00 0.00 O ATOM 644 CB GLU A 42 38.993 -12.297 -27.369 1.00 0.00 C ATOM 645 CG GLU A 42 37.634 -12.071 -28.009 1.00 0.00 C ATOM 646 CD GLU A 42 37.670 -11.016 -29.098 1.00 0.00 C ATOM 647 OE1 GLU A 42 38.672 -10.967 -29.842 1.00 0.00 O ATOM 648 OE2 GLU A 42 36.698 -10.240 -29.206 1.00 0.00 O ATOM 0 H GLU A 42 38.828 -9.832 -27.404 1.00 0.00 H new ATOM 0 HA GLU A 42 38.461 -11.658 -25.387 1.00 0.00 H new ATOM 0 HB2 GLU A 42 39.770 -12.083 -28.102 1.00 0.00 H new ATOM 0 HB3 GLU A 42 39.088 -13.349 -27.101 1.00 0.00 H new ATOM 0 HG2 GLU A 42 37.274 -13.010 -28.430 1.00 0.00 H new ATOM 0 HG3 GLU A 42 36.920 -11.771 -27.241 1.00 0.00 H new ATOM 655 N SER A 43 41.654 -11.259 -26.116 1.00 0.00 N ATOM 656 CA SER A 43 43.007 -11.512 -25.636 1.00 0.00 C ATOM 657 C SER A 43 43.142 -11.128 -24.166 1.00 0.00 C ATOM 658 O SER A 43 43.875 -11.769 -23.412 1.00 0.00 O ATOM 659 CB SER A 43 44.022 -10.731 -26.474 1.00 0.00 C ATOM 660 OG SER A 43 43.565 -10.566 -27.805 1.00 0.00 O ATOM 0 H SER A 43 41.604 -10.656 -26.937 1.00 0.00 H new ATOM 0 HA SER A 43 43.208 -12.579 -25.735 1.00 0.00 H new ATOM 0 HB2 SER A 43 44.196 -9.754 -26.022 1.00 0.00 H new ATOM 0 HB3 SER A 43 44.977 -11.256 -26.477 1.00 0.00 H new ATOM 0 HG SER A 43 44.230 -10.063 -28.319 1.00 0.00 H new ATOM 666 N GLN A 44 42.431 -10.080 -23.766 1.00 0.00 N ATOM 667 CA GLN A 44 42.471 -9.610 -22.386 1.00 0.00 C ATOM 668 C GLN A 44 41.443 -10.344 -21.531 1.00 0.00 C ATOM 669 O GLN A 44 41.484 -10.279 -20.303 1.00 0.00 O ATOM 670 CB GLN A 44 42.217 -8.103 -22.330 1.00 0.00 C ATOM 671 CG GLN A 44 43.363 -7.315 -21.717 1.00 0.00 C ATOM 672 CD GLN A 44 44.693 -7.605 -22.382 1.00 0.00 C ATOM 673 OE1 GLN A 44 44.853 -7.413 -23.588 1.00 0.00 O ATOM 674 NE2 GLN A 44 45.658 -8.072 -21.599 1.00 0.00 N ATOM 0 H GLN A 44 41.820 -9.539 -24.378 1.00 0.00 H new ATOM 0 HA GLN A 44 43.464 -9.818 -21.987 1.00 0.00 H new ATOM 0 HB2 GLN A 44 42.034 -7.736 -23.340 1.00 0.00 H new ATOM 0 HB3 GLN A 44 41.310 -7.917 -21.754 1.00 0.00 H new ATOM 0 HG2 GLN A 44 43.148 -6.249 -21.794 1.00 0.00 H new ATOM 0 HG3 GLN A 44 43.433 -7.550 -20.655 1.00 0.00 H new ATOM 0 HE21 GLN A 44 45.483 -8.216 -20.605 1.00 0.00 H new ATOM 0 HE22 GLN A 44 46.575 -8.286 -21.992 1.00 0.00 H new ATOM 683 N ALA A 45 40.523 -11.040 -22.189 1.00 0.00 N ATOM 684 CA ALA A 45 39.485 -11.787 -21.489 1.00 0.00 C ATOM 685 C ALA A 45 40.089 -12.712 -20.438 1.00 0.00 C ATOM 686 O ALA A 45 39.504 -12.924 -19.376 1.00 0.00 O ATOM 687 CB ALA A 45 38.650 -12.585 -22.480 1.00 0.00 C ATOM 0 H ALA A 45 40.475 -11.103 -23.206 1.00 0.00 H new ATOM 0 HA ALA A 45 38.839 -11.073 -20.979 1.00 0.00 H new ATOM 0 HB1 ALA A 45 37.879 -13.138 -21.944 1.00 0.00 H new ATOM 0 HB2 ALA A 45 38.181 -11.905 -23.191 1.00 0.00 H new ATOM 0 HB3 ALA A 45 39.292 -13.284 -23.016 1.00 0.00 H new ATOM 693 N GLU A 46 41.261 -13.260 -20.741 1.00 0.00 N ATOM 694 CA GLU A 46 41.943 -14.163 -19.822 1.00 0.00 C ATOM 695 C GLU A 46 42.391 -13.424 -18.565 1.00 0.00 C ATOM 696 O GLU A 46 42.160 -13.882 -17.446 1.00 0.00 O ATOM 697 CB GLU A 46 43.150 -14.808 -20.506 1.00 0.00 C ATOM 698 CG GLU A 46 42.802 -15.539 -21.792 1.00 0.00 C ATOM 699 CD GLU A 46 43.801 -16.627 -22.133 1.00 0.00 C ATOM 700 OE1 GLU A 46 44.830 -16.728 -21.432 1.00 0.00 O ATOM 701 OE2 GLU A 46 43.555 -17.378 -23.100 1.00 0.00 O ATOM 0 H GLU A 46 41.758 -13.094 -21.616 1.00 0.00 H new ATOM 0 HA GLU A 46 41.240 -14.944 -19.532 1.00 0.00 H new ATOM 0 HB2 GLU A 46 43.888 -14.036 -20.725 1.00 0.00 H new ATOM 0 HB3 GLU A 46 43.617 -15.509 -19.814 1.00 0.00 H new ATOM 0 HG2 GLU A 46 41.809 -15.979 -21.698 1.00 0.00 H new ATOM 0 HG3 GLU A 46 42.757 -14.822 -22.612 1.00 0.00 H new ATOM 708 N ARG A 47 43.035 -12.277 -18.758 1.00 0.00 N ATOM 709 CA ARG A 47 43.518 -11.474 -17.641 1.00 0.00 C ATOM 710 C ARG A 47 42.367 -11.071 -16.723 1.00 0.00 C ATOM 711 O ARG A 47 42.411 -11.306 -15.516 1.00 0.00 O ATOM 712 CB ARG A 47 44.236 -10.225 -18.156 1.00 0.00 C ATOM 713 CG ARG A 47 44.808 -9.353 -17.051 1.00 0.00 C ATOM 714 CD ARG A 47 43.910 -8.160 -16.760 1.00 0.00 C ATOM 715 NE ARG A 47 44.269 -7.496 -15.511 1.00 0.00 N ATOM 716 CZ ARG A 47 45.365 -6.761 -15.358 1.00 0.00 C ATOM 717 NH1 ARG A 47 46.205 -6.598 -16.371 1.00 0.00 N ATOM 718 NH2 ARG A 47 45.624 -6.188 -14.189 1.00 0.00 N ATOM 0 H ARG A 47 43.234 -11.883 -19.678 1.00 0.00 H new ATOM 0 HA ARG A 47 44.221 -12.079 -17.069 1.00 0.00 H new ATOM 0 HB2 ARG A 47 45.043 -10.529 -18.822 1.00 0.00 H new ATOM 0 HB3 ARG A 47 43.539 -9.634 -18.750 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.931 -9.946 -16.145 1.00 0.00 H new ATOM 0 HG3 ARG A 47 45.799 -9.002 -17.339 1.00 0.00 H new ATOM 0 HD2 ARG A 47 43.977 -7.447 -17.582 1.00 0.00 H new ATOM 0 HD3 ARG A 47 42.873 -8.491 -16.709 1.00 0.00 H new ATOM 0 HE ARG A 47 43.644 -7.602 -14.712 1.00 0.00 H new ATOM 0 HH11 ARG A 47 46.010 -7.037 -17.271 1.00 0.00 H new ATOM 0 HH12 ARG A 47 47.046 -6.033 -16.251 1.00 0.00 H new ATOM 0 HH21 ARG A 47 44.981 -6.312 -13.407 1.00 0.00 H new ATOM 0 HH22 ARG A 47 46.466 -5.624 -14.073 1.00 0.00 H new ATOM 732 N VAL A 48 41.339 -10.463 -17.305 1.00 0.00 N ATOM 733 CA VAL A 48 40.176 -10.027 -16.540 1.00 0.00 C ATOM 734 C VAL A 48 39.529 -11.198 -15.809 1.00 0.00 C ATOM 735 O VAL A 48 39.083 -11.061 -14.670 1.00 0.00 O ATOM 736 CB VAL A 48 39.126 -9.359 -17.448 1.00 0.00 C ATOM 737 CG1 VAL A 48 39.667 -8.061 -18.026 1.00 0.00 C ATOM 738 CG2 VAL A 48 38.699 -10.309 -18.556 1.00 0.00 C ATOM 0 H VAL A 48 41.287 -10.261 -18.303 1.00 0.00 H new ATOM 0 HA VAL A 48 40.531 -9.299 -15.811 1.00 0.00 H new ATOM 0 HB VAL A 48 38.249 -9.122 -16.846 1.00 0.00 H new ATOM 0 HG11 VAL A 48 38.911 -7.604 -18.665 1.00 0.00 H new ATOM 0 HG12 VAL A 48 39.918 -7.378 -17.214 1.00 0.00 H new ATOM 0 HG13 VAL A 48 40.561 -8.269 -18.614 1.00 0.00 H new ATOM 0 HG21 VAL A 48 37.957 -9.821 -19.188 1.00 0.00 H new ATOM 0 HG22 VAL A 48 39.567 -10.580 -19.158 1.00 0.00 H new ATOM 0 HG23 VAL A 48 38.267 -11.209 -18.118 1.00 0.00 H new ATOM 748 N ARG A 49 39.483 -12.349 -16.471 1.00 0.00 N ATOM 749 CA ARG A 49 38.890 -13.545 -15.885 1.00 0.00 C ATOM 750 C ARG A 49 39.603 -13.926 -14.590 1.00 0.00 C ATOM 751 O ARG A 49 38.968 -14.115 -13.553 1.00 0.00 O ATOM 752 CB ARG A 49 38.951 -14.709 -16.875 1.00 0.00 C ATOM 753 CG ARG A 49 37.690 -14.867 -17.708 1.00 0.00 C ATOM 754 CD ARG A 49 38.001 -15.419 -19.091 1.00 0.00 C ATOM 755 NE ARG A 49 37.268 -16.651 -19.366 1.00 0.00 N ATOM 756 CZ ARG A 49 37.254 -17.249 -20.552 1.00 0.00 C ATOM 757 NH1 ARG A 49 37.931 -16.730 -21.568 1.00 0.00 N ATOM 758 NH2 ARG A 49 36.563 -18.369 -20.724 1.00 0.00 N ATOM 0 H ARG A 49 39.849 -12.479 -17.414 1.00 0.00 H new ATOM 0 HA ARG A 49 37.847 -13.328 -15.655 1.00 0.00 H new ATOM 0 HB2 ARG A 49 39.801 -14.563 -17.542 1.00 0.00 H new ATOM 0 HB3 ARG A 49 39.131 -15.633 -16.326 1.00 0.00 H new ATOM 0 HG2 ARG A 49 36.996 -15.534 -17.197 1.00 0.00 H new ATOM 0 HG3 ARG A 49 37.193 -13.902 -17.804 1.00 0.00 H new ATOM 0 HD2 ARG A 49 37.750 -14.672 -19.844 1.00 0.00 H new ATOM 0 HD3 ARG A 49 39.071 -15.608 -19.174 1.00 0.00 H new ATOM 0 HE ARG A 49 36.737 -17.076 -18.606 1.00 0.00 H new ATOM 0 HH11 ARG A 49 38.464 -15.870 -21.439 1.00 0.00 H new ATOM 0 HH12 ARG A 49 37.919 -17.191 -22.478 1.00 0.00 H new ATOM 0 HH21 ARG A 49 36.042 -18.771 -19.945 1.00 0.00 H new ATOM 0 HH22 ARG A 49 36.553 -18.827 -21.635 1.00 0.00 H new ATOM 772 N ALA A 50 40.925 -14.038 -14.660 1.00 0.00 N ATOM 773 CA ALA A 50 41.724 -14.395 -13.494 1.00 0.00 C ATOM 774 C ALA A 50 41.542 -13.379 -12.372 1.00 0.00 C ATOM 775 O ALA A 50 41.147 -13.732 -11.262 1.00 0.00 O ATOM 776 CB ALA A 50 43.193 -14.507 -13.875 1.00 0.00 C ATOM 0 H ALA A 50 41.466 -13.887 -15.512 1.00 0.00 H new ATOM 0 HA ALA A 50 41.380 -15.363 -13.131 1.00 0.00 H new ATOM 0 HB1 ALA A 50 43.778 -14.774 -12.995 1.00 0.00 H new ATOM 0 HB2 ALA A 50 43.313 -15.276 -14.638 1.00 0.00 H new ATOM 0 HB3 ALA A 50 43.541 -13.551 -14.266 1.00 0.00 H new ATOM 782 N GLU A 51 41.834 -12.117 -12.670 1.00 0.00 N ATOM 783 CA GLU A 51 41.704 -11.050 -11.684 1.00 0.00 C ATOM 784 C GLU A 51 40.298 -11.027 -11.091 1.00 0.00 C ATOM 785 O GLU A 51 40.126 -11.013 -9.871 1.00 0.00 O ATOM 786 CB GLU A 51 42.024 -9.696 -12.320 1.00 0.00 C ATOM 787 CG GLU A 51 43.429 -9.609 -12.891 1.00 0.00 C ATOM 788 CD GLU A 51 44.466 -10.247 -11.989 1.00 0.00 C ATOM 789 OE1 GLU A 51 44.930 -9.570 -11.048 1.00 0.00 O ATOM 790 OE2 GLU A 51 44.815 -11.423 -12.223 1.00 0.00 O ATOM 0 H GLU A 51 42.162 -11.808 -13.585 1.00 0.00 H new ATOM 0 HA GLU A 51 42.415 -11.243 -10.881 1.00 0.00 H new ATOM 0 HB2 GLU A 51 41.305 -9.498 -13.115 1.00 0.00 H new ATOM 0 HB3 GLU A 51 41.896 -8.913 -11.572 1.00 0.00 H new ATOM 0 HG2 GLU A 51 43.452 -10.096 -13.866 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.688 -8.562 -13.052 1.00 0.00 H new ATOM 797 N LEU A 52 39.295 -11.021 -11.962 1.00 0.00 N ATOM 798 CA LEU A 52 37.903 -10.998 -11.526 1.00 0.00 C ATOM 799 C LEU A 52 37.641 -12.081 -10.484 1.00 0.00 C ATOM 800 O LEU A 52 37.165 -11.796 -9.385 1.00 0.00 O ATOM 801 CB LEU A 52 36.970 -11.190 -12.723 1.00 0.00 C ATOM 802 CG LEU A 52 35.473 -11.075 -12.432 1.00 0.00 C ATOM 803 CD1 LEU A 52 34.850 -9.968 -13.269 1.00 0.00 C ATOM 804 CD2 LEU A 52 34.775 -12.401 -12.695 1.00 0.00 C ATOM 0 H LEU A 52 39.420 -11.032 -12.974 1.00 0.00 H new ATOM 0 HA LEU A 52 37.706 -10.027 -11.072 1.00 0.00 H new ATOM 0 HB2 LEU A 52 37.230 -10.453 -13.483 1.00 0.00 H new ATOM 0 HB3 LEU A 52 37.162 -12.173 -13.154 1.00 0.00 H new ATOM 0 HG LEU A 52 35.346 -10.823 -11.379 1.00 0.00 H new ATOM 0 HD11 LEU A 52 33.785 -9.901 -13.049 1.00 0.00 H new ATOM 0 HD12 LEU A 52 35.330 -9.019 -13.032 1.00 0.00 H new ATOM 0 HD13 LEU A 52 34.988 -10.190 -14.327 1.00 0.00 H new ATOM 0 HD21 LEU A 52 33.711 -12.300 -12.483 1.00 0.00 H new ATOM 0 HD22 LEU A 52 34.912 -12.683 -13.739 1.00 0.00 H new ATOM 0 HD23 LEU A 52 35.202 -13.171 -12.052 1.00 0.00 H new ATOM 816 N ALA A 53 37.957 -13.323 -10.836 1.00 0.00 N ATOM 817 CA ALA A 53 37.760 -14.447 -9.929 1.00 0.00 C ATOM 818 C ALA A 53 38.430 -14.192 -8.584 1.00 0.00 C ATOM 819 O ALA A 53 37.849 -14.453 -7.531 1.00 0.00 O ATOM 820 CB ALA A 53 38.295 -15.728 -10.553 1.00 0.00 C ATOM 0 H ALA A 53 38.350 -13.576 -11.742 1.00 0.00 H new ATOM 0 HA ALA A 53 36.690 -14.559 -9.756 1.00 0.00 H new ATOM 0 HB1 ALA A 53 38.142 -16.559 -9.865 1.00 0.00 H new ATOM 0 HB2 ALA A 53 37.767 -15.926 -11.486 1.00 0.00 H new ATOM 0 HB3 ALA A 53 39.360 -15.617 -10.756 1.00 0.00 H new ATOM 826 N ARG A 54 39.657 -13.681 -8.626 1.00 0.00 N ATOM 827 CA ARG A 54 40.406 -13.392 -7.410 1.00 0.00 C ATOM 828 C ARG A 54 39.738 -12.277 -6.611 1.00 0.00 C ATOM 829 O ARG A 54 39.919 -12.174 -5.397 1.00 0.00 O ATOM 830 CB ARG A 54 41.844 -12.997 -7.753 1.00 0.00 C ATOM 831 CG ARG A 54 42.666 -14.135 -8.335 1.00 0.00 C ATOM 832 CD ARG A 54 43.922 -13.621 -9.021 1.00 0.00 C ATOM 833 NE ARG A 54 44.924 -13.167 -8.060 1.00 0.00 N ATOM 834 CZ ARG A 54 46.068 -12.590 -8.409 1.00 0.00 C ATOM 835 NH1 ARG A 54 46.354 -12.398 -9.689 1.00 0.00 N ATOM 836 NH2 ARG A 54 46.930 -12.205 -7.476 1.00 0.00 N ATOM 0 H ARG A 54 40.153 -13.459 -9.489 1.00 0.00 H new ATOM 0 HA ARG A 54 40.420 -14.295 -6.799 1.00 0.00 H new ATOM 0 HB2 ARG A 54 41.825 -12.172 -8.466 1.00 0.00 H new ATOM 0 HB3 ARG A 54 42.335 -12.629 -6.852 1.00 0.00 H new ATOM 0 HG2 ARG A 54 42.942 -14.829 -7.541 1.00 0.00 H new ATOM 0 HG3 ARG A 54 42.062 -14.693 -9.050 1.00 0.00 H new ATOM 0 HD2 ARG A 54 44.346 -14.411 -9.641 1.00 0.00 H new ATOM 0 HD3 ARG A 54 43.660 -12.799 -9.688 1.00 0.00 H new ATOM 0 HE ARG A 54 44.735 -13.300 -7.067 1.00 0.00 H new ATOM 0 HH11 ARG A 54 45.695 -12.694 -10.409 1.00 0.00 H new ATOM 0 HH12 ARG A 54 47.233 -11.955 -9.954 1.00 0.00 H new ATOM 0 HH21 ARG A 54 46.714 -12.352 -6.490 1.00 0.00 H new ATOM 0 HH22 ARG A 54 47.808 -11.762 -7.745 1.00 0.00 H new ATOM 850 N PHE A 55 38.965 -11.444 -7.299 1.00 0.00 N ATOM 851 CA PHE A 55 38.270 -10.336 -6.655 1.00 0.00 C ATOM 852 C PHE A 55 36.952 -10.801 -6.044 1.00 0.00 C ATOM 853 O PHE A 55 36.502 -10.268 -5.029 1.00 0.00 O ATOM 854 CB PHE A 55 38.011 -9.214 -7.662 1.00 0.00 C ATOM 855 CG PHE A 55 38.051 -7.841 -7.054 1.00 0.00 C ATOM 856 CD1 PHE A 55 39.173 -7.406 -6.367 1.00 0.00 C ATOM 857 CD2 PHE A 55 36.968 -6.985 -7.170 1.00 0.00 C ATOM 858 CE1 PHE A 55 39.213 -6.144 -5.806 1.00 0.00 C ATOM 859 CE2 PHE A 55 37.002 -5.721 -6.611 1.00 0.00 C ATOM 860 CZ PHE A 55 38.127 -5.300 -5.930 1.00 0.00 C ATOM 0 H PHE A 55 38.804 -11.515 -8.304 1.00 0.00 H new ATOM 0 HA PHE A 55 38.906 -9.957 -5.855 1.00 0.00 H new ATOM 0 HB2 PHE A 55 38.754 -9.272 -8.457 1.00 0.00 H new ATOM 0 HB3 PHE A 55 37.036 -9.370 -8.124 1.00 0.00 H new ATOM 0 HD1 PHE A 55 40.026 -8.061 -6.269 1.00 0.00 H new ATOM 0 HD2 PHE A 55 36.087 -7.309 -7.703 1.00 0.00 H new ATOM 0 HE1 PHE A 55 40.093 -5.818 -5.271 1.00 0.00 H new ATOM 0 HE2 PHE A 55 36.150 -5.064 -6.707 1.00 0.00 H new ATOM 0 HZ PHE A 55 38.158 -4.312 -5.495 1.00 0.00 H new ATOM 870 N LEU A 56 36.337 -11.799 -6.670 1.00 0.00 N ATOM 871 CA LEU A 56 35.069 -12.338 -6.189 1.00 0.00 C ATOM 872 C LEU A 56 35.239 -12.992 -4.821 1.00 0.00 C ATOM 873 O LEU A 56 34.360 -12.898 -3.966 1.00 0.00 O ATOM 874 CB LEU A 56 34.513 -13.354 -7.188 1.00 0.00 C ATOM 875 CG LEU A 56 33.531 -12.808 -8.225 1.00 0.00 C ATOM 876 CD1 LEU A 56 32.375 -12.095 -7.542 1.00 0.00 C ATOM 877 CD2 LEU A 56 34.242 -11.871 -9.191 1.00 0.00 C ATOM 0 H LEU A 56 36.695 -12.251 -7.511 1.00 0.00 H new ATOM 0 HA LEU A 56 34.365 -11.512 -6.091 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.351 -13.811 -7.715 1.00 0.00 H new ATOM 0 HB3 LEU A 56 34.017 -14.148 -6.630 1.00 0.00 H new ATOM 0 HG LEU A 56 33.129 -13.647 -8.793 1.00 0.00 H new ATOM 0 HD11 LEU A 56 31.687 -11.713 -8.296 1.00 0.00 H new ATOM 0 HD12 LEU A 56 31.849 -12.794 -6.892 1.00 0.00 H new ATOM 0 HD13 LEU A 56 32.759 -11.266 -6.948 1.00 0.00 H new ATOM 0 HD21 LEU A 56 33.528 -11.492 -9.922 1.00 0.00 H new ATOM 0 HD22 LEU A 56 34.673 -11.036 -8.638 1.00 0.00 H new ATOM 0 HD23 LEU A 56 35.035 -12.413 -9.706 1.00 0.00 H new ATOM 889 N GLU A 57 36.376 -13.651 -4.623 1.00 0.00 N ATOM 890 CA GLU A 57 36.661 -14.319 -3.359 1.00 0.00 C ATOM 891 C GLU A 57 37.093 -13.312 -2.297 1.00 0.00 C ATOM 892 O GLU A 57 37.359 -13.677 -1.153 1.00 0.00 O ATOM 893 CB GLU A 57 37.750 -15.376 -3.549 1.00 0.00 C ATOM 894 CG GLU A 57 39.152 -14.797 -3.632 1.00 0.00 C ATOM 895 CD GLU A 57 40.211 -15.861 -3.854 1.00 0.00 C ATOM 896 OE1 GLU A 57 39.885 -16.907 -4.453 1.00 0.00 O ATOM 897 OE2 GLU A 57 41.365 -15.645 -3.429 1.00 0.00 O ATOM 0 H GLU A 57 37.114 -13.737 -5.321 1.00 0.00 H new ATOM 0 HA GLU A 57 35.747 -14.807 -3.021 1.00 0.00 H new ATOM 0 HB2 GLU A 57 37.707 -16.083 -2.721 1.00 0.00 H new ATOM 0 HB3 GLU A 57 37.544 -15.938 -4.460 1.00 0.00 H new ATOM 0 HG2 GLU A 57 39.194 -14.072 -4.445 1.00 0.00 H new ATOM 0 HG3 GLU A 57 39.373 -14.256 -2.712 1.00 0.00 H new ATOM 904 N ASN A 58 37.162 -12.043 -2.686 1.00 0.00 N ATOM 905 CA ASN A 58 37.564 -10.983 -1.769 1.00 0.00 C ATOM 906 C ASN A 58 36.406 -10.026 -1.504 1.00 0.00 C ATOM 907 O ASN A 58 36.403 -8.877 -1.947 1.00 0.00 O ATOM 908 CB ASN A 58 38.757 -10.212 -2.338 1.00 0.00 C ATOM 909 CG ASN A 58 40.064 -10.961 -2.167 1.00 0.00 C ATOM 910 OD1 ASN A 58 40.111 -12.011 -1.526 1.00 0.00 O ATOM 911 ND2 ASN A 58 41.134 -10.423 -2.741 1.00 0.00 N ATOM 0 H ASN A 58 36.945 -11.724 -3.630 1.00 0.00 H new ATOM 0 HA ASN A 58 37.855 -11.444 -0.825 1.00 0.00 H new ATOM 0 HB2 ASN A 58 38.589 -10.018 -3.397 1.00 0.00 H new ATOM 0 HB3 ASN A 58 38.829 -9.243 -1.844 1.00 0.00 H new ATOM 0 HD21 ASN A 58 42.041 -10.882 -2.660 1.00 0.00 H new ATOM 0 HD22 ASN A 58 41.048 -9.551 -3.263 1.00 0.00 H new ATOM 918 N PRO A 59 35.398 -10.509 -0.762 1.00 0.00 N ATOM 919 CA PRO A 59 34.216 -9.712 -0.420 1.00 0.00 C ATOM 920 C PRO A 59 34.536 -8.594 0.567 1.00 0.00 C ATOM 921 O PRO A 59 34.253 -8.706 1.759 1.00 0.00 O ATOM 922 CB PRO A 59 33.272 -10.735 0.219 1.00 0.00 C ATOM 923 CG PRO A 59 34.169 -11.800 0.748 1.00 0.00 C ATOM 924 CD PRO A 59 35.334 -11.868 -0.201 1.00 0.00 C ATOM 0 HA PRO A 59 33.797 -9.210 -1.292 1.00 0.00 H new ATOM 0 HB2 PRO A 59 32.680 -10.284 1.016 1.00 0.00 H new ATOM 0 HB3 PRO A 59 32.570 -11.136 -0.512 1.00 0.00 H new ATOM 0 HG2 PRO A 59 34.502 -11.564 1.759 1.00 0.00 H new ATOM 0 HG3 PRO A 59 33.651 -12.757 0.799 1.00 0.00 H new ATOM 0 HD2 PRO A 59 36.257 -12.134 0.314 1.00 0.00 H new ATOM 0 HD3 PRO A 59 35.176 -12.616 -0.978 1.00 0.00 H new ATOM 932 N ALA A 60 35.126 -7.516 0.061 1.00 0.00 N ATOM 933 CA ALA A 60 35.482 -6.377 0.898 1.00 0.00 C ATOM 934 C ALA A 60 35.524 -5.089 0.082 1.00 0.00 C ATOM 935 O ALA A 60 34.756 -4.160 0.331 1.00 0.00 O ATOM 936 CB ALA A 60 36.822 -6.619 1.576 1.00 0.00 C ATOM 0 H ALA A 60 35.367 -7.408 -0.924 1.00 0.00 H new ATOM 0 HA ALA A 60 34.715 -6.266 1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 60 37.075 -5.760 2.198 1.00 0.00 H new ATOM 0 HB2 ALA A 60 36.759 -7.512 2.198 1.00 0.00 H new ATOM 0 HB3 ALA A 60 37.593 -6.758 0.818 1.00 0.00 H new ATOM 942 N ASP A 61 36.427 -5.041 -0.892 1.00 0.00 N ATOM 943 CA ASP A 61 36.569 -3.866 -1.744 1.00 0.00 C ATOM 944 C ASP A 61 35.311 -3.644 -2.578 1.00 0.00 C ATOM 945 O ASP A 61 34.605 -2.650 -2.404 1.00 0.00 O ATOM 946 CB ASP A 61 37.783 -4.020 -2.661 1.00 0.00 C ATOM 947 CG ASP A 61 38.887 -3.034 -2.331 1.00 0.00 C ATOM 948 OD1 ASP A 61 39.209 -2.884 -1.133 1.00 0.00 O ATOM 949 OD2 ASP A 61 39.429 -2.415 -3.269 1.00 0.00 O ATOM 0 H ASP A 61 37.071 -5.801 -1.111 1.00 0.00 H new ATOM 0 HA ASP A 61 36.715 -2.997 -1.102 1.00 0.00 H new ATOM 0 HB2 ASP A 61 38.170 -5.036 -2.579 1.00 0.00 H new ATOM 0 HB3 ASP A 61 37.473 -3.880 -3.696 1.00 0.00 H new ATOM 954 N LEU A 62 35.037 -4.576 -3.485 1.00 0.00 N ATOM 955 CA LEU A 62 33.864 -4.482 -4.347 1.00 0.00 C ATOM 956 C LEU A 62 32.600 -4.252 -3.525 1.00 0.00 C ATOM 957 O LEU A 62 32.109 -5.161 -2.857 1.00 0.00 O ATOM 958 CB LEU A 62 33.718 -5.755 -5.183 1.00 0.00 C ATOM 959 CG LEU A 62 33.912 -7.074 -4.435 1.00 0.00 C ATOM 960 CD1 LEU A 62 32.568 -7.672 -4.049 1.00 0.00 C ATOM 961 CD2 LEU A 62 34.710 -8.055 -5.283 1.00 0.00 C ATOM 0 H LEU A 62 35.611 -5.405 -3.642 1.00 0.00 H new ATOM 0 HA LEU A 62 34.001 -3.630 -5.013 1.00 0.00 H new ATOM 0 HB2 LEU A 62 32.725 -5.758 -5.633 1.00 0.00 H new ATOM 0 HB3 LEU A 62 34.439 -5.714 -6.000 1.00 0.00 H new ATOM 0 HG LEU A 62 34.472 -6.873 -3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 62 32.726 -8.610 -3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 62 32.032 -6.976 -3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 62 31.981 -7.859 -4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 62 34.839 -8.989 -4.735 1.00 0.00 H new ATOM 0 HD22 LEU A 62 34.176 -8.251 -6.213 1.00 0.00 H new ATOM 0 HD23 LEU A 62 35.688 -7.629 -5.509 1.00 0.00 H new ATOM 973 N GLU A 63 32.078 -3.031 -3.581 1.00 0.00 N ATOM 974 CA GLU A 63 30.870 -2.683 -2.842 1.00 0.00 C ATOM 975 C GLU A 63 30.123 -1.542 -3.526 1.00 0.00 C ATOM 976 O GLU A 63 30.514 -0.386 -3.372 1.00 0.00 O ATOM 977 CB GLU A 63 31.220 -2.288 -1.405 1.00 0.00 C ATOM 978 CG GLU A 63 31.893 -3.398 -0.616 1.00 0.00 C ATOM 979 CD GLU A 63 31.871 -3.146 0.880 1.00 0.00 C ATOM 980 OE1 GLU A 63 30.878 -3.530 1.532 1.00 0.00 O ATOM 981 OE2 GLU A 63 32.848 -2.565 1.397 1.00 0.00 O ATOM 0 H GLU A 63 32.472 -2.267 -4.130 1.00 0.00 H new ATOM 0 HA GLU A 63 30.222 -3.559 -2.823 1.00 0.00 H new ATOM 0 HB2 GLU A 63 31.877 -1.419 -1.426 1.00 0.00 H new ATOM 0 HB3 GLU A 63 30.309 -1.987 -0.888 1.00 0.00 H new ATOM 0 HG2 GLU A 63 31.395 -4.344 -0.829 1.00 0.00 H new ATOM 0 HG3 GLU A 63 32.926 -3.500 -0.948 1.00 0.00 H new TER 988 GLU A 63 ATOM 989 N MET B 1 33.155 -9.810 -28.941 1.00 0.00 N ATOM 990 CA MET B 1 32.712 -9.502 -27.586 1.00 0.00 C ATOM 991 C MET B 1 32.481 -10.781 -26.786 1.00 0.00 C ATOM 992 O MET B 1 31.674 -11.628 -27.171 1.00 0.00 O ATOM 993 CB MET B 1 31.428 -8.671 -27.622 1.00 0.00 C ATOM 994 CG MET B 1 31.601 -7.314 -28.286 1.00 0.00 C ATOM 995 SD MET B 1 31.194 -5.946 -27.185 1.00 0.00 S ATOM 996 CE MET B 1 32.307 -6.267 -25.819 1.00 0.00 C ATOM 0 H1 MET B 1 33.652 -8.988 -29.339 1.00 0.00 H new ATOM 0 H2 MET B 1 33.799 -10.626 -28.919 1.00 0.00 H new ATOM 0 H3 MET B 1 32.330 -10.036 -29.533 1.00 0.00 H new ATOM 0 HA MET B 1 33.496 -8.924 -27.097 1.00 0.00 H new ATOM 0 HB2 MET B 1 30.658 -9.230 -28.153 1.00 0.00 H new ATOM 0 HB3 MET B 1 31.071 -8.525 -26.603 1.00 0.00 H new ATOM 0 HG2 MET B 1 32.632 -7.208 -28.625 1.00 0.00 H new ATOM 0 HG3 MET B 1 30.967 -7.264 -29.172 1.00 0.00 H new ATOM 0 HE1 MET B 1 32.610 -5.323 -25.367 1.00 0.00 H new ATOM 0 HE2 MET B 1 31.801 -6.880 -25.074 1.00 0.00 H new ATOM 0 HE3 MET B 1 33.189 -6.794 -26.184 1.00 0.00 H new ATOM 1006 N LEU B 2 33.194 -10.914 -25.673 1.00 0.00 N ATOM 1007 CA LEU B 2 33.067 -12.090 -24.819 1.00 0.00 C ATOM 1008 C LEU B 2 32.618 -11.697 -23.415 1.00 0.00 C ATOM 1009 O LEU B 2 33.300 -10.941 -22.724 1.00 0.00 O ATOM 1010 CB LEU B 2 34.398 -12.840 -24.750 1.00 0.00 C ATOM 1011 CG LEU B 2 34.308 -14.367 -24.754 1.00 0.00 C ATOM 1012 CD1 LEU B 2 35.690 -14.983 -24.598 1.00 0.00 C ATOM 1013 CD2 LEU B 2 33.379 -14.850 -23.650 1.00 0.00 C ATOM 0 H LEU B 2 33.866 -10.222 -25.341 1.00 0.00 H new ATOM 0 HA LEU B 2 32.311 -12.744 -25.253 1.00 0.00 H new ATOM 0 HB2 LEU B 2 35.011 -12.530 -25.596 1.00 0.00 H new ATOM 0 HB3 LEU B 2 34.921 -12.529 -23.846 1.00 0.00 H new ATOM 0 HG LEU B 2 33.897 -14.685 -25.712 1.00 0.00 H new ATOM 0 HD11 LEU B 2 35.607 -16.070 -24.603 1.00 0.00 H new ATOM 0 HD12 LEU B 2 36.326 -14.664 -25.424 1.00 0.00 H new ATOM 0 HD13 LEU B 2 36.129 -14.657 -23.655 1.00 0.00 H new ATOM 0 HD21 LEU B 2 33.327 -15.939 -23.668 1.00 0.00 H new ATOM 0 HD22 LEU B 2 33.761 -14.521 -22.683 1.00 0.00 H new ATOM 0 HD23 LEU B 2 32.383 -14.437 -23.806 1.00 0.00 H new ATOM 1025 N MET B 3 31.468 -12.217 -23.000 1.00 0.00 N ATOM 1026 CA MET B 3 30.930 -11.923 -21.677 1.00 0.00 C ATOM 1027 C MET B 3 31.921 -12.320 -20.587 1.00 0.00 C ATOM 1028 O MET B 3 32.302 -13.485 -20.476 1.00 0.00 O ATOM 1029 CB MET B 3 29.603 -12.656 -21.468 1.00 0.00 C ATOM 1030 CG MET B 3 28.568 -11.835 -20.716 1.00 0.00 C ATOM 1031 SD MET B 3 27.295 -12.857 -19.949 1.00 0.00 S ATOM 1032 CE MET B 3 27.502 -12.417 -18.225 1.00 0.00 C ATOM 0 H MET B 3 30.891 -12.844 -23.560 1.00 0.00 H new ATOM 0 HA MET B 3 30.757 -10.849 -21.613 1.00 0.00 H new ATOM 0 HB2 MET B 3 29.196 -12.938 -22.439 1.00 0.00 H new ATOM 0 HB3 MET B 3 29.790 -13.580 -20.921 1.00 0.00 H new ATOM 0 HG2 MET B 3 29.067 -11.245 -19.947 1.00 0.00 H new ATOM 0 HG3 MET B 3 28.098 -11.131 -21.404 1.00 0.00 H new ATOM 0 HE1 MET B 3 27.242 -13.270 -17.598 1.00 0.00 H new ATOM 0 HE2 MET B 3 28.539 -12.136 -18.043 1.00 0.00 H new ATOM 0 HE3 MET B 3 26.851 -11.577 -17.983 1.00 0.00 H new ATOM 1042 N ILE B 4 32.334 -11.344 -19.785 1.00 0.00 N ATOM 1043 CA ILE B 4 33.279 -11.593 -18.704 1.00 0.00 C ATOM 1044 C ILE B 4 32.586 -12.221 -17.501 1.00 0.00 C ATOM 1045 O ILE B 4 33.070 -13.200 -16.931 1.00 0.00 O ATOM 1046 CB ILE B 4 33.980 -10.295 -18.259 1.00 0.00 C ATOM 1047 CG1 ILE B 4 34.864 -9.755 -19.385 1.00 0.00 C ATOM 1048 CG2 ILE B 4 34.803 -10.541 -17.004 1.00 0.00 C ATOM 1049 CD1 ILE B 4 35.804 -10.789 -19.964 1.00 0.00 C ATOM 0 H ILE B 4 32.029 -10.374 -19.864 1.00 0.00 H new ATOM 0 HA ILE B 4 34.026 -12.286 -19.092 1.00 0.00 H new ATOM 0 HB ILE B 4 33.219 -9.549 -18.030 1.00 0.00 H new ATOM 0 HG12 ILE B 4 34.228 -9.368 -20.181 1.00 0.00 H new ATOM 0 HG13 ILE B 4 35.448 -8.916 -19.007 1.00 0.00 H new ATOM 0 HG21 ILE B 4 35.292 -9.615 -16.702 1.00 0.00 H new ATOM 0 HG22 ILE B 4 34.150 -10.884 -16.202 1.00 0.00 H new ATOM 0 HG23 ILE B 4 35.558 -11.300 -17.207 1.00 0.00 H new ATOM 0 HD11 ILE B 4 36.399 -10.336 -20.757 1.00 0.00 H new ATOM 0 HD12 ILE B 4 36.465 -11.159 -19.180 1.00 0.00 H new ATOM 0 HD13 ILE B 4 35.226 -11.618 -20.373 1.00 0.00 H new ATOM 1061 N THR B 5 31.446 -11.653 -17.118 1.00 0.00 N ATOM 1062 CA THR B 5 30.684 -12.158 -15.983 1.00 0.00 C ATOM 1063 C THR B 5 29.371 -11.401 -15.822 1.00 0.00 C ATOM 1064 O THR B 5 29.044 -10.528 -16.626 1.00 0.00 O ATOM 1065 CB THR B 5 31.489 -12.050 -14.674 1.00 0.00 C ATOM 1066 OG1 THR B 5 30.850 -12.810 -13.642 1.00 0.00 O ATOM 1067 CG2 THR B 5 31.618 -10.599 -14.236 1.00 0.00 C ATOM 0 H THR B 5 31.031 -10.843 -17.578 1.00 0.00 H new ATOM 0 HA THR B 5 30.473 -13.208 -16.186 1.00 0.00 H new ATOM 0 HB THR B 5 32.487 -12.449 -14.853 1.00 0.00 H new ATOM 0 HG1 THR B 5 31.369 -12.738 -12.814 1.00 0.00 H new ATOM 0 HG21 THR B 5 32.190 -10.548 -13.310 1.00 0.00 H new ATOM 0 HG22 THR B 5 32.131 -10.029 -15.011 1.00 0.00 H new ATOM 0 HG23 THR B 5 30.626 -10.179 -14.073 1.00 0.00 H new ATOM 1075 N SER B 6 28.621 -11.740 -14.778 1.00 0.00 N ATOM 1076 CA SER B 6 27.341 -11.094 -14.514 1.00 0.00 C ATOM 1077 C SER B 6 27.214 -10.722 -13.040 1.00 0.00 C ATOM 1078 O SER B 6 27.415 -11.556 -12.157 1.00 0.00 O ATOM 1079 CB SER B 6 26.188 -12.014 -14.920 1.00 0.00 C ATOM 1080 OG SER B 6 26.267 -13.258 -14.247 1.00 0.00 O ATOM 0 H SER B 6 28.878 -12.459 -14.101 1.00 0.00 H new ATOM 0 HA SER B 6 27.294 -10.181 -15.107 1.00 0.00 H new ATOM 0 HB2 SER B 6 25.237 -11.533 -14.691 1.00 0.00 H new ATOM 0 HB3 SER B 6 26.211 -12.178 -15.997 1.00 0.00 H new ATOM 0 HG SER B 6 26.616 -13.119 -13.342 1.00 0.00 H new ATOM 1086 N PHE B 7 26.880 -9.462 -12.781 1.00 0.00 N ATOM 1087 CA PHE B 7 26.727 -8.977 -11.414 1.00 0.00 C ATOM 1088 C PHE B 7 25.288 -8.546 -11.148 1.00 0.00 C ATOM 1089 O PHE B 7 24.520 -8.302 -12.077 1.00 0.00 O ATOM 1090 CB PHE B 7 27.678 -7.807 -11.156 1.00 0.00 C ATOM 1091 CG PHE B 7 29.128 -8.199 -11.168 1.00 0.00 C ATOM 1092 CD1 PHE B 7 29.549 -9.366 -10.551 1.00 0.00 C ATOM 1093 CD2 PHE B 7 30.070 -7.400 -11.795 1.00 0.00 C ATOM 1094 CE1 PHE B 7 30.882 -9.730 -10.560 1.00 0.00 C ATOM 1095 CE2 PHE B 7 31.405 -7.759 -11.808 1.00 0.00 C ATOM 1096 CZ PHE B 7 31.812 -8.925 -11.189 1.00 0.00 C ATOM 0 H PHE B 7 26.710 -8.758 -13.500 1.00 0.00 H new ATOM 0 HA PHE B 7 26.974 -9.793 -10.735 1.00 0.00 H new ATOM 0 HB2 PHE B 7 27.511 -7.040 -11.912 1.00 0.00 H new ATOM 0 HB3 PHE B 7 27.439 -7.361 -10.191 1.00 0.00 H new ATOM 0 HD1 PHE B 7 28.827 -9.999 -10.057 1.00 0.00 H new ATOM 0 HD2 PHE B 7 29.758 -6.486 -12.279 1.00 0.00 H new ATOM 0 HE1 PHE B 7 31.196 -10.643 -10.076 1.00 0.00 H new ATOM 0 HE2 PHE B 7 32.129 -7.128 -12.302 1.00 0.00 H new ATOM 0 HZ PHE B 7 32.855 -9.207 -11.197 1.00 0.00 H new ATOM 1106 N ALA B 8 24.931 -8.454 -9.871 1.00 0.00 N ATOM 1107 CA ALA B 8 23.585 -8.052 -9.481 1.00 0.00 C ATOM 1108 C ALA B 8 23.616 -6.787 -8.629 1.00 0.00 C ATOM 1109 O ALA B 8 22.748 -6.577 -7.783 1.00 0.00 O ATOM 1110 CB ALA B 8 22.893 -9.180 -8.730 1.00 0.00 C ATOM 0 H ALA B 8 25.555 -8.652 -9.089 1.00 0.00 H new ATOM 0 HA ALA B 8 23.020 -7.835 -10.388 1.00 0.00 H new ATOM 0 HB1 ALA B 8 21.889 -8.865 -8.445 1.00 0.00 H new ATOM 0 HB2 ALA B 8 22.829 -10.059 -9.372 1.00 0.00 H new ATOM 0 HB3 ALA B 8 23.464 -9.425 -7.835 1.00 0.00 H new ATOM 1116 N ASN B 9 24.622 -5.949 -8.858 1.00 0.00 N ATOM 1117 CA ASN B 9 24.766 -4.706 -8.109 1.00 0.00 C ATOM 1118 C ASN B 9 25.477 -3.647 -8.946 1.00 0.00 C ATOM 1119 O ASN B 9 26.430 -3.930 -9.672 1.00 0.00 O ATOM 1120 CB ASN B 9 25.541 -4.953 -6.814 1.00 0.00 C ATOM 1121 CG ASN B 9 24.644 -4.929 -5.590 1.00 0.00 C ATOM 1122 OD1 ASN B 9 24.104 -5.958 -5.183 1.00 0.00 O ATOM 1123 ND2 ASN B 9 24.483 -3.752 -4.999 1.00 0.00 N ATOM 0 H ASN B 9 25.349 -6.108 -9.556 1.00 0.00 H new ATOM 0 HA ASN B 9 23.769 -4.341 -7.863 1.00 0.00 H new ATOM 0 HB2 ASN B 9 26.044 -5.918 -6.873 1.00 0.00 H new ATOM 0 HB3 ASN B 9 26.317 -4.195 -6.708 1.00 0.00 H new ATOM 0 HD21 ASN B 9 23.892 -3.673 -4.172 1.00 0.00 H new ATOM 0 HD22 ASN B 9 24.951 -2.926 -5.372 1.00 0.00 H new ATOM 1130 N PRO B 10 25.005 -2.396 -8.843 1.00 0.00 N ATOM 1131 CA PRO B 10 25.581 -1.268 -9.582 1.00 0.00 C ATOM 1132 C PRO B 10 26.969 -0.891 -9.074 1.00 0.00 C ATOM 1133 O PRO B 10 27.904 -0.727 -9.858 1.00 0.00 O ATOM 1134 CB PRO B 10 24.590 -0.131 -9.323 1.00 0.00 C ATOM 1135 CG PRO B 10 23.938 -0.483 -8.031 1.00 0.00 C ATOM 1136 CD PRO B 10 23.872 -1.985 -7.996 1.00 0.00 C ATOM 0 HA PRO B 10 25.718 -1.500 -10.638 1.00 0.00 H new ATOM 0 HB2 PRO B 10 25.099 0.831 -9.260 1.00 0.00 H new ATOM 0 HB3 PRO B 10 23.858 -0.053 -10.127 1.00 0.00 H new ATOM 0 HG2 PRO B 10 24.511 -0.098 -7.187 1.00 0.00 H new ATOM 0 HG3 PRO B 10 22.941 -0.047 -7.965 1.00 0.00 H new ATOM 0 HD2 PRO B 10 23.970 -2.368 -6.980 1.00 0.00 H new ATOM 0 HD3 PRO B 10 22.924 -2.355 -8.386 1.00 0.00 H new ATOM 1144 N ARG B 11 27.096 -0.756 -7.758 1.00 0.00 N ATOM 1145 CA ARG B 11 28.370 -0.397 -7.146 1.00 0.00 C ATOM 1146 C ARG B 11 29.463 -1.382 -7.549 1.00 0.00 C ATOM 1147 O ARG B 11 30.575 -0.984 -7.896 1.00 0.00 O ATOM 1148 CB ARG B 11 28.236 -0.362 -5.622 1.00 0.00 C ATOM 1149 CG ARG B 11 27.006 0.386 -5.136 1.00 0.00 C ATOM 1150 CD ARG B 11 27.149 0.808 -3.682 1.00 0.00 C ATOM 1151 NE ARG B 11 26.139 1.789 -3.294 1.00 0.00 N ATOM 1152 CZ ARG B 11 24.895 1.468 -2.956 1.00 0.00 C ATOM 1153 NH1 ARG B 11 24.510 0.199 -2.958 1.00 0.00 N ATOM 1154 NH2 ARG B 11 24.033 2.417 -2.615 1.00 0.00 N ATOM 0 H ARG B 11 26.332 -0.890 -7.095 1.00 0.00 H new ATOM 0 HA ARG B 11 28.649 0.595 -7.502 1.00 0.00 H new ATOM 0 HB2 ARG B 11 28.202 -1.384 -5.245 1.00 0.00 H new ATOM 0 HB3 ARG B 11 29.125 0.104 -5.198 1.00 0.00 H new ATOM 0 HG2 ARG B 11 26.845 1.267 -5.758 1.00 0.00 H new ATOM 0 HG3 ARG B 11 26.126 -0.247 -5.247 1.00 0.00 H new ATOM 0 HD2 ARG B 11 27.067 -0.069 -3.040 1.00 0.00 H new ATOM 0 HD3 ARG B 11 28.142 1.228 -3.523 1.00 0.00 H new ATOM 0 HE ARG B 11 26.403 2.774 -3.282 1.00 0.00 H new ATOM 0 HH11 ARG B 11 25.170 -0.534 -3.220 1.00 0.00 H new ATOM 0 HH12 ARG B 11 23.554 -0.044 -2.698 1.00 0.00 H new ATOM 0 HH21 ARG B 11 24.325 3.394 -2.612 1.00 0.00 H new ATOM 0 HH22 ARG B 11 23.078 2.169 -2.356 1.00 0.00 H new ATOM 1168 N VAL B 12 29.139 -2.671 -7.499 1.00 0.00 N ATOM 1169 CA VAL B 12 30.092 -3.713 -7.860 1.00 0.00 C ATOM 1170 C VAL B 12 30.452 -3.641 -9.339 1.00 0.00 C ATOM 1171 O VAL B 12 31.628 -3.652 -9.704 1.00 0.00 O ATOM 1172 CB VAL B 12 29.537 -5.115 -7.546 1.00 0.00 C ATOM 1173 CG1 VAL B 12 30.521 -6.190 -7.981 1.00 0.00 C ATOM 1174 CG2 VAL B 12 29.217 -5.241 -6.064 1.00 0.00 C ATOM 0 H VAL B 12 28.224 -3.018 -7.212 1.00 0.00 H new ATOM 0 HA VAL B 12 30.988 -3.543 -7.263 1.00 0.00 H new ATOM 0 HB VAL B 12 28.613 -5.255 -8.107 1.00 0.00 H new ATOM 0 HG11 VAL B 12 30.111 -7.173 -7.751 1.00 0.00 H new ATOM 0 HG12 VAL B 12 30.695 -6.111 -9.054 1.00 0.00 H new ATOM 0 HG13 VAL B 12 31.464 -6.057 -7.450 1.00 0.00 H new ATOM 0 HG21 VAL B 12 28.826 -6.238 -5.860 1.00 0.00 H new ATOM 0 HG22 VAL B 12 30.124 -5.080 -5.481 1.00 0.00 H new ATOM 0 HG23 VAL B 12 28.472 -4.495 -5.788 1.00 0.00 H new ATOM 1184 N ALA B 13 29.432 -3.567 -10.188 1.00 0.00 N ATOM 1185 CA ALA B 13 29.641 -3.490 -11.629 1.00 0.00 C ATOM 1186 C ALA B 13 30.604 -2.363 -11.985 1.00 0.00 C ATOM 1187 O ALA B 13 31.675 -2.603 -12.541 1.00 0.00 O ATOM 1188 CB ALA B 13 28.312 -3.298 -12.345 1.00 0.00 C ATOM 0 H ALA B 13 28.453 -3.559 -9.903 1.00 0.00 H new ATOM 0 HA ALA B 13 30.086 -4.429 -11.958 1.00 0.00 H new ATOM 0 HB1 ALA B 13 28.483 -3.242 -13.420 1.00 0.00 H new ATOM 0 HB2 ALA B 13 27.655 -4.140 -12.125 1.00 0.00 H new ATOM 0 HB3 ALA B 13 27.845 -2.374 -12.003 1.00 0.00 H new ATOM 1194 N GLN B 14 30.216 -1.134 -11.660 1.00 0.00 N ATOM 1195 CA GLN B 14 31.046 0.030 -11.948 1.00 0.00 C ATOM 1196 C GLN B 14 32.437 -0.132 -11.345 1.00 0.00 C ATOM 1197 O GLN B 14 33.445 0.073 -12.021 1.00 0.00 O ATOM 1198 CB GLN B 14 30.386 1.299 -11.406 1.00 0.00 C ATOM 1199 CG GLN B 14 31.186 2.563 -11.676 1.00 0.00 C ATOM 1200 CD GLN B 14 30.701 3.309 -12.904 1.00 0.00 C ATOM 1201 OE1 GLN B 14 29.966 4.291 -12.798 1.00 0.00 O ATOM 1202 NE2 GLN B 14 31.112 2.846 -14.079 1.00 0.00 N ATOM 0 H GLN B 14 29.333 -0.919 -11.197 1.00 0.00 H new ATOM 0 HA GLN B 14 31.147 0.115 -13.030 1.00 0.00 H new ATOM 0 HB2 GLN B 14 29.397 1.403 -11.852 1.00 0.00 H new ATOM 0 HB3 GLN B 14 30.242 1.193 -10.331 1.00 0.00 H new ATOM 0 HG2 GLN B 14 31.124 3.220 -10.808 1.00 0.00 H new ATOM 0 HG3 GLN B 14 32.237 2.303 -11.805 1.00 0.00 H new ATOM 0 HE21 GLN B 14 31.721 2.029 -14.120 1.00 0.00 H new ATOM 0 HE22 GLN B 14 30.819 3.308 -14.940 1.00 0.00 H new ATOM 1211 N ALA B 15 32.485 -0.500 -10.069 1.00 0.00 N ATOM 1212 CA ALA B 15 33.753 -0.690 -9.376 1.00 0.00 C ATOM 1213 C ALA B 15 34.650 -1.665 -10.130 1.00 0.00 C ATOM 1214 O ALA B 15 35.848 -1.429 -10.285 1.00 0.00 O ATOM 1215 CB ALA B 15 33.510 -1.183 -7.957 1.00 0.00 C ATOM 0 H ALA B 15 31.660 -0.672 -9.494 1.00 0.00 H new ATOM 0 HA ALA B 15 34.263 0.272 -9.333 1.00 0.00 H new ATOM 0 HB1 ALA B 15 34.466 -1.321 -7.451 1.00 0.00 H new ATOM 0 HB2 ALA B 15 32.914 -0.449 -7.414 1.00 0.00 H new ATOM 0 HB3 ALA B 15 32.976 -2.133 -7.988 1.00 0.00 H new ATOM 1221 N PHE B 16 34.063 -2.762 -10.597 1.00 0.00 N ATOM 1222 CA PHE B 16 34.811 -3.774 -11.335 1.00 0.00 C ATOM 1223 C PHE B 16 35.441 -3.178 -12.590 1.00 0.00 C ATOM 1224 O PHE B 16 36.663 -3.166 -12.739 1.00 0.00 O ATOM 1225 CB PHE B 16 33.894 -4.939 -11.715 1.00 0.00 C ATOM 1226 CG PHE B 16 34.147 -6.185 -10.915 1.00 0.00 C ATOM 1227 CD1 PHE B 16 35.069 -7.125 -11.345 1.00 0.00 C ATOM 1228 CD2 PHE B 16 33.462 -6.416 -9.733 1.00 0.00 C ATOM 1229 CE1 PHE B 16 35.302 -8.273 -10.611 1.00 0.00 C ATOM 1230 CE2 PHE B 16 33.691 -7.562 -8.995 1.00 0.00 C ATOM 1231 CZ PHE B 16 34.613 -8.491 -9.434 1.00 0.00 C ATOM 0 H PHE B 16 33.072 -2.973 -10.478 1.00 0.00 H new ATOM 0 HA PHE B 16 35.609 -4.143 -10.690 1.00 0.00 H new ATOM 0 HB2 PHE B 16 32.856 -4.634 -11.579 1.00 0.00 H new ATOM 0 HB3 PHE B 16 34.024 -5.163 -12.774 1.00 0.00 H new ATOM 0 HD1 PHE B 16 35.612 -6.959 -12.264 1.00 0.00 H new ATOM 0 HD2 PHE B 16 32.741 -5.692 -9.384 1.00 0.00 H new ATOM 0 HE1 PHE B 16 36.022 -8.999 -10.958 1.00 0.00 H new ATOM 0 HE2 PHE B 16 33.149 -7.730 -8.076 1.00 0.00 H new ATOM 0 HZ PHE B 16 34.795 -9.386 -8.858 1.00 0.00 H new ATOM 1241 N VAL B 17 34.597 -2.684 -13.491 1.00 0.00 N ATOM 1242 CA VAL B 17 35.070 -2.085 -14.734 1.00 0.00 C ATOM 1243 C VAL B 17 36.032 -0.935 -14.458 1.00 0.00 C ATOM 1244 O VAL B 17 36.876 -0.605 -15.292 1.00 0.00 O ATOM 1245 CB VAL B 17 33.898 -1.567 -15.588 1.00 0.00 C ATOM 1246 CG1 VAL B 17 33.035 -2.723 -16.069 1.00 0.00 C ATOM 1247 CG2 VAL B 17 33.070 -0.562 -14.802 1.00 0.00 C ATOM 0 H VAL B 17 33.583 -2.687 -13.383 1.00 0.00 H new ATOM 0 HA VAL B 17 35.593 -2.867 -15.285 1.00 0.00 H new ATOM 0 HB VAL B 17 34.305 -1.061 -16.464 1.00 0.00 H new ATOM 0 HG11 VAL B 17 32.212 -2.337 -16.671 1.00 0.00 H new ATOM 0 HG12 VAL B 17 33.639 -3.401 -16.672 1.00 0.00 H new ATOM 0 HG13 VAL B 17 32.635 -3.261 -15.209 1.00 0.00 H new ATOM 0 HG21 VAL B 17 32.246 -0.206 -15.421 1.00 0.00 H new ATOM 0 HG22 VAL B 17 32.672 -1.040 -13.907 1.00 0.00 H new ATOM 0 HG23 VAL B 17 33.698 0.281 -14.514 1.00 0.00 H new ATOM 1257 N ASP B 18 35.900 -0.329 -13.284 1.00 0.00 N ATOM 1258 CA ASP B 18 36.760 0.784 -12.897 1.00 0.00 C ATOM 1259 C ASP B 18 38.194 0.313 -12.681 1.00 0.00 C ATOM 1260 O ASP B 18 39.120 0.790 -13.338 1.00 0.00 O ATOM 1261 CB ASP B 18 36.230 1.446 -11.624 1.00 0.00 C ATOM 1262 CG ASP B 18 36.847 2.810 -11.381 1.00 0.00 C ATOM 1263 OD1 ASP B 18 37.349 3.416 -12.351 1.00 0.00 O ATOM 1264 OD2 ASP B 18 36.828 3.271 -10.221 1.00 0.00 O ATOM 0 H ASP B 18 35.206 -0.589 -12.583 1.00 0.00 H new ATOM 0 HA ASP B 18 36.755 1.514 -13.706 1.00 0.00 H new ATOM 0 HB2 ASP B 18 35.147 1.548 -11.695 1.00 0.00 H new ATOM 0 HB3 ASP B 18 36.435 0.800 -10.770 1.00 0.00 H new ATOM 1269 N TYR B 19 38.371 -0.624 -11.756 1.00 0.00 N ATOM 1270 CA TYR B 19 39.694 -1.156 -11.451 1.00 0.00 C ATOM 1271 C TYR B 19 40.284 -1.876 -12.660 1.00 0.00 C ATOM 1272 O TYR B 19 41.501 -2.000 -12.788 1.00 0.00 O ATOM 1273 CB TYR B 19 39.619 -2.114 -10.260 1.00 0.00 C ATOM 1274 CG TYR B 19 39.623 -3.573 -10.655 1.00 0.00 C ATOM 1275 CD1 TYR B 19 40.799 -4.206 -11.038 1.00 0.00 C ATOM 1276 CD2 TYR B 19 38.451 -4.319 -10.645 1.00 0.00 C ATOM 1277 CE1 TYR B 19 40.807 -5.539 -11.400 1.00 0.00 C ATOM 1278 CE2 TYR B 19 38.450 -5.653 -11.005 1.00 0.00 C ATOM 1279 CZ TYR B 19 39.630 -6.258 -11.382 1.00 0.00 C ATOM 1280 OH TYR B 19 39.634 -7.587 -11.741 1.00 0.00 O ATOM 0 H TYR B 19 37.615 -1.031 -11.205 1.00 0.00 H new ATOM 0 HA TYR B 19 40.344 -0.319 -11.196 1.00 0.00 H new ATOM 0 HB2 TYR B 19 40.463 -1.923 -9.598 1.00 0.00 H new ATOM 0 HB3 TYR B 19 38.714 -1.903 -9.691 1.00 0.00 H new ATOM 0 HD1 TYR B 19 41.723 -3.646 -11.053 1.00 0.00 H new ATOM 0 HD2 TYR B 19 37.525 -3.848 -10.351 1.00 0.00 H new ATOM 0 HE1 TYR B 19 41.730 -6.016 -11.696 1.00 0.00 H new ATOM 0 HE2 TYR B 19 37.530 -6.219 -10.991 1.00 0.00 H new ATOM 0 HH TYR B 19 38.725 -7.947 -11.673 1.00 0.00 H new ATOM 1290 N MET B 20 39.411 -2.347 -13.544 1.00 0.00 N ATOM 1291 CA MET B 20 39.844 -3.053 -14.744 1.00 0.00 C ATOM 1292 C MET B 20 40.340 -2.072 -15.802 1.00 0.00 C ATOM 1293 O MET B 20 41.312 -2.344 -16.506 1.00 0.00 O ATOM 1294 CB MET B 20 38.698 -3.894 -15.309 1.00 0.00 C ATOM 1295 CG MET B 20 38.289 -5.047 -14.407 1.00 0.00 C ATOM 1296 SD MET B 20 38.732 -6.655 -15.091 1.00 0.00 S ATOM 1297 CE MET B 20 40.488 -6.701 -14.740 1.00 0.00 C ATOM 0 H MET B 20 38.400 -2.253 -13.452 1.00 0.00 H new ATOM 0 HA MET B 20 40.668 -3.712 -14.470 1.00 0.00 H new ATOM 0 HB2 MET B 20 37.834 -3.251 -15.477 1.00 0.00 H new ATOM 0 HB3 MET B 20 38.994 -4.290 -16.280 1.00 0.00 H new ATOM 0 HG2 MET B 20 38.764 -4.927 -13.433 1.00 0.00 H new ATOM 0 HG3 MET B 20 37.212 -5.011 -14.243 1.00 0.00 H new ATOM 0 HE1 MET B 20 41.047 -6.650 -15.674 1.00 0.00 H new ATOM 0 HE2 MET B 20 40.756 -5.852 -14.111 1.00 0.00 H new ATOM 0 HE3 MET B 20 40.731 -7.628 -14.221 1.00 0.00 H new ATOM 1307 N ALA B 21 39.665 -0.932 -15.908 1.00 0.00 N ATOM 1308 CA ALA B 21 40.039 0.089 -16.878 1.00 0.00 C ATOM 1309 C ALA B 21 41.361 0.749 -16.501 1.00 0.00 C ATOM 1310 O ALA B 21 42.210 0.999 -17.357 1.00 0.00 O ATOM 1311 CB ALA B 21 38.940 1.135 -16.994 1.00 0.00 C ATOM 0 H ALA B 21 38.857 -0.693 -15.334 1.00 0.00 H new ATOM 0 HA ALA B 21 40.169 -0.396 -17.845 1.00 0.00 H new ATOM 0 HB1 ALA B 21 39.233 1.891 -17.722 1.00 0.00 H new ATOM 0 HB2 ALA B 21 38.016 0.657 -17.319 1.00 0.00 H new ATOM 0 HB3 ALA B 21 38.783 1.607 -16.024 1.00 0.00 H new ATOM 1317 N THR B 22 41.530 1.029 -15.212 1.00 0.00 N ATOM 1318 CA THR B 22 42.748 1.661 -14.721 1.00 0.00 C ATOM 1319 C THR B 22 43.938 0.714 -14.822 1.00 0.00 C ATOM 1320 O THR B 22 45.088 1.131 -14.684 1.00 0.00 O ATOM 1321 CB THR B 22 42.593 2.119 -13.259 1.00 0.00 C ATOM 1322 OG1 THR B 22 43.742 2.874 -12.857 1.00 0.00 O ATOM 1323 CG2 THR B 22 42.416 0.925 -12.334 1.00 0.00 C ATOM 0 H THR B 22 40.838 0.828 -14.490 1.00 0.00 H new ATOM 0 HA THR B 22 42.927 2.533 -15.350 1.00 0.00 H new ATOM 0 HB THR B 22 41.704 2.747 -13.191 1.00 0.00 H new ATOM 0 HG1 THR B 22 44.508 2.627 -13.416 1.00 0.00 H new ATOM 0 HG21 THR B 22 42.309 1.273 -11.307 1.00 0.00 H new ATOM 0 HG22 THR B 22 41.524 0.369 -12.624 1.00 0.00 H new ATOM 0 HG23 THR B 22 43.288 0.275 -12.407 1.00 0.00 H new ATOM 1331 N GLN B 23 43.654 -0.562 -15.063 1.00 0.00 N ATOM 1332 CA GLN B 23 44.703 -1.568 -15.182 1.00 0.00 C ATOM 1333 C GLN B 23 45.108 -1.762 -16.640 1.00 0.00 C ATOM 1334 O GLN B 23 46.038 -2.508 -16.942 1.00 0.00 O ATOM 1335 CB GLN B 23 44.233 -2.897 -14.589 1.00 0.00 C ATOM 1336 CG GLN B 23 44.386 -2.977 -13.079 1.00 0.00 C ATOM 1337 CD GLN B 23 45.833 -2.913 -12.634 1.00 0.00 C ATOM 1338 OE1 GLN B 23 46.564 -3.901 -12.715 1.00 0.00 O ATOM 1339 NE2 GLN B 23 46.257 -1.747 -12.160 1.00 0.00 N ATOM 0 H GLN B 23 42.707 -0.923 -15.180 1.00 0.00 H new ATOM 0 HA GLN B 23 45.573 -1.218 -14.626 1.00 0.00 H new ATOM 0 HB2 GLN B 23 43.186 -3.051 -14.848 1.00 0.00 H new ATOM 0 HB3 GLN B 23 44.797 -3.709 -15.047 1.00 0.00 H new ATOM 0 HG2 GLN B 23 43.832 -2.159 -12.618 1.00 0.00 H new ATOM 0 HG3 GLN B 23 43.941 -3.905 -12.721 1.00 0.00 H new ATOM 0 HE21 GLN B 23 45.618 -0.954 -12.110 1.00 0.00 H new ATOM 0 HE22 GLN B 23 47.222 -1.645 -11.846 1.00 0.00 H new ATOM 1348 N GLY B 24 44.401 -1.086 -17.541 1.00 0.00 N ATOM 1349 CA GLY B 24 44.702 -1.199 -18.956 1.00 0.00 C ATOM 1350 C GLY B 24 43.729 -2.105 -19.685 1.00 0.00 C ATOM 1351 O GLY B 24 43.982 -2.518 -20.817 1.00 0.00 O ATOM 0 H GLY B 24 43.626 -0.463 -17.316 1.00 0.00 H new ATOM 0 HA2 GLY B 24 44.680 -0.208 -19.409 1.00 0.00 H new ATOM 0 HA3 GLY B 24 45.714 -1.584 -19.079 1.00 0.00 H new ATOM 1355 N VAL B 25 42.613 -2.418 -19.034 1.00 0.00 N ATOM 1356 CA VAL B 25 41.599 -3.282 -19.627 1.00 0.00 C ATOM 1357 C VAL B 25 40.221 -2.633 -19.567 1.00 0.00 C ATOM 1358 O VAL B 25 39.653 -2.456 -18.488 1.00 0.00 O ATOM 1359 CB VAL B 25 41.542 -4.648 -18.919 1.00 0.00 C ATOM 1360 CG1 VAL B 25 40.781 -5.657 -19.765 1.00 0.00 C ATOM 1361 CG2 VAL B 25 42.946 -5.148 -18.613 1.00 0.00 C ATOM 0 H VAL B 25 42.388 -2.086 -18.096 1.00 0.00 H new ATOM 0 HA VAL B 25 41.882 -3.433 -20.669 1.00 0.00 H new ATOM 0 HB VAL B 25 41.010 -4.527 -17.975 1.00 0.00 H new ATOM 0 HG11 VAL B 25 40.751 -6.616 -19.248 1.00 0.00 H new ATOM 0 HG12 VAL B 25 39.764 -5.301 -19.928 1.00 0.00 H new ATOM 0 HG13 VAL B 25 41.282 -5.778 -20.726 1.00 0.00 H new ATOM 0 HG21 VAL B 25 42.887 -6.115 -18.113 1.00 0.00 H new ATOM 0 HG22 VAL B 25 43.505 -5.254 -19.543 1.00 0.00 H new ATOM 0 HG23 VAL B 25 43.453 -4.434 -17.964 1.00 0.00 H new ATOM 1371 N ILE B 26 39.687 -2.280 -20.731 1.00 0.00 N ATOM 1372 CA ILE B 26 38.374 -1.652 -20.811 1.00 0.00 C ATOM 1373 C ILE B 26 37.262 -2.692 -20.733 1.00 0.00 C ATOM 1374 O ILE B 26 37.311 -3.722 -21.407 1.00 0.00 O ATOM 1375 CB ILE B 26 38.215 -0.843 -22.112 1.00 0.00 C ATOM 1376 CG1 ILE B 26 39.281 0.252 -22.191 1.00 0.00 C ATOM 1377 CG2 ILE B 26 36.821 -0.240 -22.193 1.00 0.00 C ATOM 1378 CD1 ILE B 26 39.232 1.227 -21.036 1.00 0.00 C ATOM 0 H ILE B 26 40.144 -2.418 -21.632 1.00 0.00 H new ATOM 0 HA ILE B 26 38.296 -0.975 -19.960 1.00 0.00 H new ATOM 0 HB ILE B 26 38.349 -1.515 -22.960 1.00 0.00 H new ATOM 0 HG12 ILE B 26 40.266 -0.213 -22.222 1.00 0.00 H new ATOM 0 HG13 ILE B 26 39.158 0.801 -23.125 1.00 0.00 H new ATOM 0 HG21 ILE B 26 36.724 0.329 -23.118 1.00 0.00 H new ATOM 0 HG22 ILE B 26 36.078 -1.038 -22.178 1.00 0.00 H new ATOM 0 HG23 ILE B 26 36.661 0.422 -21.342 1.00 0.00 H new ATOM 0 HD11 ILE B 26 40.015 1.975 -21.158 1.00 0.00 H new ATOM 0 HD12 ILE B 26 38.260 1.720 -21.017 1.00 0.00 H new ATOM 0 HD13 ILE B 26 39.385 0.690 -20.100 1.00 0.00 H new ATOM 1390 N LEU B 27 36.258 -2.416 -19.908 1.00 0.00 N ATOM 1391 CA LEU B 27 35.131 -3.327 -19.743 1.00 0.00 C ATOM 1392 C LEU B 27 33.807 -2.598 -19.951 1.00 0.00 C ATOM 1393 O LEU B 27 33.747 -1.369 -19.900 1.00 0.00 O ATOM 1394 CB LEU B 27 35.163 -3.962 -18.351 1.00 0.00 C ATOM 1395 CG LEU B 27 36.011 -5.226 -18.210 1.00 0.00 C ATOM 1396 CD1 LEU B 27 35.403 -6.369 -19.008 1.00 0.00 C ATOM 1397 CD2 LEU B 27 37.441 -4.962 -18.659 1.00 0.00 C ATOM 0 H LEU B 27 36.201 -1.569 -19.343 1.00 0.00 H new ATOM 0 HA LEU B 27 35.216 -4.111 -20.496 1.00 0.00 H new ATOM 0 HB2 LEU B 27 35.532 -3.220 -17.643 1.00 0.00 H new ATOM 0 HB3 LEU B 27 34.140 -4.200 -18.058 1.00 0.00 H new ATOM 0 HG LEU B 27 36.028 -5.513 -17.159 1.00 0.00 H new ATOM 0 HD11 LEU B 27 36.020 -7.260 -18.895 1.00 0.00 H new ATOM 0 HD12 LEU B 27 34.398 -6.575 -18.640 1.00 0.00 H new ATOM 0 HD13 LEU B 27 35.354 -6.092 -20.061 1.00 0.00 H new ATOM 0 HD21 LEU B 27 38.030 -5.873 -18.552 1.00 0.00 H new ATOM 0 HD22 LEU B 27 37.443 -4.650 -19.703 1.00 0.00 H new ATOM 0 HD23 LEU B 27 37.876 -4.174 -18.044 1.00 0.00 H new ATOM 1409 N THR B 28 32.746 -3.364 -20.184 1.00 0.00 N ATOM 1410 CA THR B 28 31.423 -2.793 -20.399 1.00 0.00 C ATOM 1411 C THR B 28 30.395 -3.416 -19.461 1.00 0.00 C ATOM 1412 O THR B 28 30.506 -4.586 -19.093 1.00 0.00 O ATOM 1413 CB THR B 28 30.956 -2.987 -21.854 1.00 0.00 C ATOM 1414 OG1 THR B 28 32.043 -3.459 -22.658 1.00 0.00 O ATOM 1415 CG2 THR B 28 30.422 -1.684 -22.430 1.00 0.00 C ATOM 0 H THR B 28 32.778 -4.383 -20.229 1.00 0.00 H new ATOM 0 HA THR B 28 31.503 -1.726 -20.190 1.00 0.00 H new ATOM 0 HB THR B 28 30.153 -3.724 -21.859 1.00 0.00 H new ATOM 0 HG1 THR B 28 32.266 -4.378 -22.400 1.00 0.00 H new ATOM 0 HG21 THR B 28 30.098 -1.846 -23.458 1.00 0.00 H new ATOM 0 HG22 THR B 28 29.577 -1.342 -21.833 1.00 0.00 H new ATOM 0 HG23 THR B 28 31.208 -0.929 -22.412 1.00 0.00 H new ATOM 1423 N ILE B 29 29.396 -2.628 -19.078 1.00 0.00 N ATOM 1424 CA ILE B 29 28.348 -3.104 -18.184 1.00 0.00 C ATOM 1425 C ILE B 29 26.967 -2.893 -18.794 1.00 0.00 C ATOM 1426 O ILE B 29 26.729 -1.903 -19.486 1.00 0.00 O ATOM 1427 CB ILE B 29 28.408 -2.395 -16.818 1.00 0.00 C ATOM 1428 CG1 ILE B 29 29.752 -2.661 -16.139 1.00 0.00 C ATOM 1429 CG2 ILE B 29 27.260 -2.854 -15.932 1.00 0.00 C ATOM 1430 CD1 ILE B 29 29.968 -4.114 -15.776 1.00 0.00 C ATOM 0 H ILE B 29 29.290 -1.657 -19.373 1.00 0.00 H new ATOM 0 HA ILE B 29 28.518 -4.171 -18.038 1.00 0.00 H new ATOM 0 HB ILE B 29 28.310 -1.321 -16.978 1.00 0.00 H new ATOM 0 HG12 ILE B 29 30.555 -2.337 -16.801 1.00 0.00 H new ATOM 0 HG13 ILE B 29 29.820 -2.055 -15.235 1.00 0.00 H new ATOM 0 HG21 ILE B 29 27.316 -2.344 -14.970 1.00 0.00 H new ATOM 0 HG22 ILE B 29 26.311 -2.617 -16.414 1.00 0.00 H new ATOM 0 HG23 ILE B 29 27.329 -3.931 -15.776 1.00 0.00 H new ATOM 0 HD11 ILE B 29 30.941 -4.229 -15.298 1.00 0.00 H new ATOM 0 HD12 ILE B 29 29.186 -4.438 -15.089 1.00 0.00 H new ATOM 0 HD13 ILE B 29 29.933 -4.724 -16.679 1.00 0.00 H new ATOM 1442 N GLN B 30 26.060 -3.829 -18.532 1.00 0.00 N ATOM 1443 CA GLN B 30 24.702 -3.744 -19.054 1.00 0.00 C ATOM 1444 C GLN B 30 23.679 -3.813 -17.926 1.00 0.00 C ATOM 1445 O GLN B 30 23.414 -4.885 -17.381 1.00 0.00 O ATOM 1446 CB GLN B 30 24.448 -4.869 -20.059 1.00 0.00 C ATOM 1447 CG GLN B 30 24.571 -4.429 -21.509 1.00 0.00 C ATOM 1448 CD GLN B 30 23.272 -4.578 -22.276 1.00 0.00 C ATOM 1449 OE1 GLN B 30 23.012 -5.616 -22.886 1.00 0.00 O ATOM 1450 NE2 GLN B 30 22.446 -3.538 -22.249 1.00 0.00 N ATOM 0 H GLN B 30 26.242 -4.655 -17.961 1.00 0.00 H new ATOM 0 HA GLN B 30 24.594 -2.784 -19.559 1.00 0.00 H new ATOM 0 HB2 GLN B 30 25.154 -5.678 -19.872 1.00 0.00 H new ATOM 0 HB3 GLN B 30 23.449 -5.273 -19.894 1.00 0.00 H new ATOM 0 HG2 GLN B 30 24.891 -3.388 -21.543 1.00 0.00 H new ATOM 0 HG3 GLN B 30 25.347 -5.017 -21.999 1.00 0.00 H new ATOM 0 HE21 GLN B 30 22.701 -2.697 -21.731 1.00 0.00 H new ATOM 0 HE22 GLN B 30 21.556 -3.580 -22.746 1.00 0.00 H new ATOM 1459 N GLN B 31 23.107 -2.664 -17.579 1.00 0.00 N ATOM 1460 CA GLN B 31 22.114 -2.596 -16.514 1.00 0.00 C ATOM 1461 C GLN B 31 20.711 -2.832 -17.063 1.00 0.00 C ATOM 1462 O GLN B 31 20.143 -1.971 -17.736 1.00 0.00 O ATOM 1463 CB GLN B 31 22.179 -1.237 -15.814 1.00 0.00 C ATOM 1464 CG GLN B 31 22.236 -1.336 -14.298 1.00 0.00 C ATOM 1465 CD GLN B 31 21.541 -0.177 -13.611 1.00 0.00 C ATOM 1466 OE1 GLN B 31 21.717 0.981 -13.991 1.00 0.00 O ATOM 1467 NE2 GLN B 31 20.744 -0.484 -12.594 1.00 0.00 N ATOM 0 H GLN B 31 23.315 -1.768 -18.020 1.00 0.00 H new ATOM 0 HA GLN B 31 22.338 -3.380 -15.791 1.00 0.00 H new ATOM 0 HB2 GLN B 31 23.057 -0.697 -16.168 1.00 0.00 H new ATOM 0 HB3 GLN B 31 21.307 -0.649 -16.099 1.00 0.00 H new ATOM 0 HG2 GLN B 31 21.774 -2.271 -13.981 1.00 0.00 H new ATOM 0 HG3 GLN B 31 23.278 -1.371 -13.979 1.00 0.00 H new ATOM 0 HE21 GLN B 31 20.628 -1.458 -12.313 1.00 0.00 H new ATOM 0 HE22 GLN B 31 20.248 0.254 -12.094 1.00 0.00 H new ATOM 1476 N HIS B 32 20.156 -4.005 -16.771 1.00 0.00 N ATOM 1477 CA HIS B 32 18.818 -4.354 -17.235 1.00 0.00 C ATOM 1478 C HIS B 32 17.789 -3.345 -16.735 1.00 0.00 C ATOM 1479 O HIS B 32 18.135 -2.369 -16.070 1.00 0.00 O ATOM 1480 CB HIS B 32 18.443 -5.759 -16.764 1.00 0.00 C ATOM 1481 CG HIS B 32 19.355 -6.828 -17.282 1.00 0.00 C ATOM 1482 ND1 HIS B 32 19.117 -8.174 -17.100 1.00 0.00 N ATOM 1483 CD2 HIS B 32 20.511 -6.743 -17.981 1.00 0.00 C ATOM 1484 CE1 HIS B 32 20.088 -8.871 -17.663 1.00 0.00 C ATOM 1485 NE2 HIS B 32 20.946 -8.027 -18.205 1.00 0.00 N ATOM 0 H HIS B 32 20.612 -4.729 -16.216 1.00 0.00 H new ATOM 0 HA HIS B 32 18.821 -4.333 -18.325 1.00 0.00 H new ATOM 0 HB2 HIS B 32 18.452 -5.782 -15.674 1.00 0.00 H new ATOM 0 HB3 HIS B 32 17.423 -5.979 -17.079 1.00 0.00 H new ATOM 0 HD2 HIS B 32 21.000 -5.835 -18.303 1.00 0.00 H new ATOM 0 HE1 HIS B 32 20.166 -9.948 -17.677 1.00 0.00 H new ATOM 0 HE2 HIS B 32 21.794 -8.286 -18.709 1.00 0.00 H new ATOM 1493 N ASN B 33 16.523 -3.588 -17.060 1.00 0.00 N ATOM 1494 CA ASN B 33 15.444 -2.699 -16.645 1.00 0.00 C ATOM 1495 C ASN B 33 14.083 -3.330 -16.924 1.00 0.00 C ATOM 1496 O ASN B 33 13.662 -3.436 -18.075 1.00 0.00 O ATOM 1497 CB ASN B 33 15.554 -1.356 -17.368 1.00 0.00 C ATOM 1498 CG ASN B 33 15.630 -1.515 -18.875 1.00 0.00 C ATOM 1499 OD1 ASN B 33 16.620 -2.016 -19.408 1.00 0.00 O ATOM 1500 ND2 ASN B 33 14.581 -1.088 -19.568 1.00 0.00 N ATOM 0 H ASN B 33 16.220 -4.392 -17.609 1.00 0.00 H new ATOM 0 HA ASN B 33 15.535 -2.534 -15.572 1.00 0.00 H new ATOM 0 HB2 ASN B 33 14.693 -0.738 -17.114 1.00 0.00 H new ATOM 0 HB3 ASN B 33 16.440 -0.828 -17.016 1.00 0.00 H new ATOM 0 HD21 ASN B 33 14.574 -1.169 -20.585 1.00 0.00 H new ATOM 0 HD22 ASN B 33 13.782 -0.679 -19.084 1.00 0.00 H new ATOM 1507 N GLN B 34 13.400 -3.745 -15.861 1.00 0.00 N ATOM 1508 CA GLN B 34 12.087 -4.365 -15.992 1.00 0.00 C ATOM 1509 C GLN B 34 11.199 -4.014 -14.804 1.00 0.00 C ATOM 1510 O GLN B 34 11.384 -4.534 -13.703 1.00 0.00 O ATOM 1511 CB GLN B 34 12.226 -5.884 -16.110 1.00 0.00 C ATOM 1512 CG GLN B 34 12.255 -6.383 -17.545 1.00 0.00 C ATOM 1513 CD GLN B 34 11.021 -5.979 -18.329 1.00 0.00 C ATOM 1514 OE1 GLN B 34 10.994 -4.926 -18.967 1.00 0.00 O ATOM 1515 NE2 GLN B 34 9.991 -6.816 -18.284 1.00 0.00 N ATOM 0 H GLN B 34 13.734 -3.663 -14.901 1.00 0.00 H new ATOM 0 HA GLN B 34 11.619 -3.979 -16.898 1.00 0.00 H new ATOM 0 HB2 GLN B 34 13.141 -6.197 -15.607 1.00 0.00 H new ATOM 0 HB3 GLN B 34 11.396 -6.358 -15.586 1.00 0.00 H new ATOM 0 HG2 GLN B 34 13.142 -5.992 -18.044 1.00 0.00 H new ATOM 0 HG3 GLN B 34 12.342 -7.470 -17.546 1.00 0.00 H new ATOM 0 HE21 GLN B 34 10.057 -7.678 -17.742 1.00 0.00 H new ATOM 0 HE22 GLN B 34 9.133 -6.597 -18.791 1.00 0.00 H new ATOM 1524 N SER B 35 10.234 -3.129 -15.033 1.00 0.00 N ATOM 1525 CA SER B 35 9.318 -2.706 -13.980 1.00 0.00 C ATOM 1526 C SER B 35 8.028 -3.518 -14.022 1.00 0.00 C ATOM 1527 O SER B 35 7.175 -3.305 -14.884 1.00 0.00 O ATOM 1528 CB SER B 35 9.001 -1.216 -14.119 1.00 0.00 C ATOM 1529 OG SER B 35 10.138 -0.491 -14.557 1.00 0.00 O ATOM 0 H SER B 35 10.066 -2.691 -15.939 1.00 0.00 H new ATOM 0 HA SER B 35 9.804 -2.879 -13.020 1.00 0.00 H new ATOM 0 HB2 SER B 35 8.184 -1.079 -14.827 1.00 0.00 H new ATOM 0 HB3 SER B 35 8.662 -0.822 -13.161 1.00 0.00 H new ATOM 0 HG SER B 35 9.850 0.275 -15.096 1.00 0.00 H new ATOM 1535 N ASP B 36 7.892 -4.450 -13.085 1.00 0.00 N ATOM 1536 CA ASP B 36 6.705 -5.295 -13.013 1.00 0.00 C ATOM 1537 C ASP B 36 5.645 -4.667 -12.113 1.00 0.00 C ATOM 1538 O ASP B 36 5.919 -4.318 -10.965 1.00 0.00 O ATOM 1539 CB ASP B 36 7.074 -6.686 -12.495 1.00 0.00 C ATOM 1540 CG ASP B 36 5.912 -7.374 -11.806 1.00 0.00 C ATOM 1541 OD1 ASP B 36 4.787 -7.319 -12.345 1.00 0.00 O ATOM 1542 OD2 ASP B 36 6.127 -7.966 -10.728 1.00 0.00 O ATOM 0 H ASP B 36 8.589 -4.640 -12.365 1.00 0.00 H new ATOM 0 HA ASP B 36 6.293 -5.388 -14.018 1.00 0.00 H new ATOM 0 HB2 ASP B 36 7.415 -7.302 -13.327 1.00 0.00 H new ATOM 0 HB3 ASP B 36 7.908 -6.602 -11.798 1.00 0.00 H new ATOM 1547 N VAL B 37 4.434 -4.527 -12.642 1.00 0.00 N ATOM 1548 CA VAL B 37 3.333 -3.942 -11.887 1.00 0.00 C ATOM 1549 C VAL B 37 2.420 -5.023 -11.319 1.00 0.00 C ATOM 1550 O VAL B 37 1.862 -5.831 -12.062 1.00 0.00 O ATOM 1551 CB VAL B 37 2.497 -2.988 -12.761 1.00 0.00 C ATOM 1552 CG1 VAL B 37 1.650 -2.071 -11.892 1.00 0.00 C ATOM 1553 CG2 VAL B 37 3.401 -2.179 -13.680 1.00 0.00 C ATOM 0 H VAL B 37 4.191 -4.811 -13.591 1.00 0.00 H new ATOM 0 HA VAL B 37 3.777 -3.377 -11.067 1.00 0.00 H new ATOM 0 HB VAL B 37 1.826 -3.584 -13.380 1.00 0.00 H new ATOM 0 HG11 VAL B 37 1.067 -1.404 -12.527 1.00 0.00 H new ATOM 0 HG12 VAL B 37 0.976 -2.670 -11.279 1.00 0.00 H new ATOM 0 HG13 VAL B 37 2.299 -1.480 -11.246 1.00 0.00 H new ATOM 0 HG21 VAL B 37 2.794 -1.510 -14.291 1.00 0.00 H new ATOM 0 HG22 VAL B 37 4.097 -1.592 -13.081 1.00 0.00 H new ATOM 0 HG23 VAL B 37 3.960 -2.855 -14.328 1.00 0.00 H new ATOM 1563 N TRP B 38 2.273 -5.032 -9.999 1.00 0.00 N ATOM 1564 CA TRP B 38 1.428 -6.014 -9.331 1.00 0.00 C ATOM 1565 C TRP B 38 0.433 -5.332 -8.399 1.00 0.00 C ATOM 1566 O TRP B 38 0.778 -4.383 -7.693 1.00 0.00 O ATOM 1567 CB TRP B 38 2.286 -7.005 -8.544 1.00 0.00 C ATOM 1568 CG TRP B 38 3.635 -6.464 -8.179 1.00 0.00 C ATOM 1569 CD1 TRP B 38 4.602 -6.026 -9.039 1.00 0.00 C ATOM 1570 CD2 TRP B 38 4.167 -6.304 -6.860 1.00 0.00 C ATOM 1571 NE1 TRP B 38 5.703 -5.604 -8.333 1.00 0.00 N ATOM 1572 CE2 TRP B 38 5.461 -5.764 -6.994 1.00 0.00 C ATOM 1573 CE3 TRP B 38 3.675 -6.564 -5.577 1.00 0.00 C ATOM 1574 CZ2 TRP B 38 6.266 -5.480 -5.894 1.00 0.00 C ATOM 1575 CZ3 TRP B 38 4.476 -6.282 -4.487 1.00 0.00 C ATOM 1576 CH2 TRP B 38 5.760 -5.744 -4.651 1.00 0.00 C ATOM 0 H TRP B 38 2.728 -4.370 -9.370 1.00 0.00 H new ATOM 0 HA TRP B 38 0.870 -6.555 -10.095 1.00 0.00 H new ATOM 0 HB2 TRP B 38 1.758 -7.289 -7.634 1.00 0.00 H new ATOM 0 HB3 TRP B 38 2.414 -7.912 -9.134 1.00 0.00 H new ATOM 0 HD1 TRP B 38 4.514 -6.013 -10.115 1.00 0.00 H new ATOM 0 HE1 TRP B 38 6.561 -5.232 -8.740 1.00 0.00 H new ATOM 0 HE3 TRP B 38 2.687 -6.978 -5.441 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 7.256 -5.066 -6.018 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 4.106 -6.479 -3.492 1.00 0.00 H new ATOM 0 HH2 TRP B 38 6.361 -5.534 -3.779 1.00 0.00 H new ATOM 1587 N LEU B 39 -0.803 -5.819 -8.400 1.00 0.00 N ATOM 1588 CA LEU B 39 -1.849 -5.256 -7.553 1.00 0.00 C ATOM 1589 C LEU B 39 -2.187 -6.201 -6.405 1.00 0.00 C ATOM 1590 O LEU B 39 -1.986 -7.411 -6.504 1.00 0.00 O ATOM 1591 CB LEU B 39 -3.103 -4.970 -8.380 1.00 0.00 C ATOM 1592 CG LEU B 39 -4.333 -4.507 -7.597 1.00 0.00 C ATOM 1593 CD1 LEU B 39 -4.068 -3.165 -6.934 1.00 0.00 C ATOM 1594 CD2 LEU B 39 -5.546 -4.423 -8.511 1.00 0.00 C ATOM 0 H LEU B 39 -1.106 -6.603 -8.978 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.478 -4.321 -7.132 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -2.860 -4.207 -9.120 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -3.366 -5.874 -8.929 1.00 0.00 H new ATOM 0 HG LEU B 39 -4.542 -5.239 -6.817 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -4.954 -2.851 -6.381 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -3.226 -3.258 -6.248 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -3.834 -2.422 -7.697 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -6.412 -4.092 -7.937 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -5.349 -3.712 -9.313 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -5.748 -5.405 -8.939 1.00 0.00 H new ATOM 1606 N ALA B 40 -2.704 -5.640 -5.317 1.00 0.00 N ATOM 1607 CA ALA B 40 -3.075 -6.432 -4.151 1.00 0.00 C ATOM 1608 C ALA B 40 -4.589 -6.580 -4.046 1.00 0.00 C ATOM 1609 O ALA B 40 -5.090 -7.571 -3.515 1.00 0.00 O ATOM 1610 CB ALA B 40 -2.515 -5.802 -2.884 1.00 0.00 C ATOM 0 H ALA B 40 -2.876 -4.639 -5.219 1.00 0.00 H new ATOM 0 HA ALA B 40 -2.647 -7.427 -4.268 1.00 0.00 H new ATOM 0 HB1 ALA B 40 -2.800 -6.404 -2.021 1.00 0.00 H new ATOM 0 HB2 ALA B 40 -1.428 -5.755 -2.951 1.00 0.00 H new ATOM 0 HB3 ALA B 40 -2.915 -4.794 -2.771 1.00 0.00 H new ATOM 1616 N ASP B 41 -5.312 -5.588 -4.555 1.00 0.00 N ATOM 1617 CA ASP B 41 -6.770 -5.608 -4.519 1.00 0.00 C ATOM 1618 C ASP B 41 -7.335 -6.254 -5.780 1.00 0.00 C ATOM 1619 O ASP B 41 -7.597 -5.575 -6.772 1.00 0.00 O ATOM 1620 CB ASP B 41 -7.317 -4.188 -4.369 1.00 0.00 C ATOM 1621 CG ASP B 41 -8.792 -4.170 -4.018 1.00 0.00 C ATOM 1622 OD1 ASP B 41 -9.565 -4.903 -4.669 1.00 0.00 O ATOM 1623 OD2 ASP B 41 -9.173 -3.422 -3.094 1.00 0.00 O ATOM 0 H ASP B 41 -4.912 -4.760 -4.997 1.00 0.00 H new ATOM 0 HA ASP B 41 -7.080 -6.201 -3.658 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -6.756 -3.665 -3.594 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -7.161 -3.642 -5.299 1.00 0.00 H new ATOM 1628 N GLU B 42 -7.520 -7.570 -5.733 1.00 0.00 N ATOM 1629 CA GLU B 42 -8.053 -8.307 -6.873 1.00 0.00 C ATOM 1630 C GLU B 42 -9.318 -7.642 -7.407 1.00 0.00 C ATOM 1631 O GLU B 42 -9.499 -7.509 -8.618 1.00 0.00 O ATOM 1632 CB GLU B 42 -8.352 -9.755 -6.478 1.00 0.00 C ATOM 1633 CG GLU B 42 -7.135 -10.511 -5.973 1.00 0.00 C ATOM 1634 CD GLU B 42 -7.009 -10.470 -4.462 1.00 0.00 C ATOM 1635 OE1 GLU B 42 -8.052 -10.530 -3.778 1.00 0.00 O ATOM 1636 OE2 GLU B 42 -5.867 -10.379 -3.964 1.00 0.00 O ATOM 0 H GLU B 42 -7.309 -8.147 -4.919 1.00 0.00 H new ATOM 0 HA GLU B 42 -7.300 -8.301 -7.661 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -9.120 -9.761 -5.704 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -8.764 -10.280 -7.340 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -7.195 -11.549 -6.301 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -6.236 -10.086 -6.421 1.00 0.00 H new ATOM 1643 N SER B 43 -10.192 -7.227 -6.495 1.00 0.00 N ATOM 1644 CA SER B 43 -11.443 -6.581 -6.874 1.00 0.00 C ATOM 1645 C SER B 43 -11.182 -5.381 -7.779 1.00 0.00 C ATOM 1646 O SER B 43 -11.978 -5.076 -8.667 1.00 0.00 O ATOM 1647 CB SER B 43 -12.209 -6.135 -5.627 1.00 0.00 C ATOM 1648 OG SER B 43 -11.962 -7.008 -4.538 1.00 0.00 O ATOM 0 H SER B 43 -10.057 -7.327 -5.489 1.00 0.00 H new ATOM 0 HA SER B 43 -12.045 -7.305 -7.423 1.00 0.00 H new ATOM 0 HB2 SER B 43 -11.914 -5.121 -5.358 1.00 0.00 H new ATOM 0 HB3 SER B 43 -13.277 -6.110 -5.842 1.00 0.00 H new ATOM 0 HG SER B 43 -12.461 -6.701 -3.753 1.00 0.00 H new ATOM 1654 N GLN B 44 -10.061 -4.705 -7.547 1.00 0.00 N ATOM 1655 CA GLN B 44 -9.695 -3.538 -8.341 1.00 0.00 C ATOM 1656 C GLN B 44 -8.886 -3.946 -9.568 1.00 0.00 C ATOM 1657 O GLN B 44 -8.695 -3.154 -10.489 1.00 0.00 O ATOM 1658 CB GLN B 44 -8.894 -2.549 -7.493 1.00 0.00 C ATOM 1659 CG GLN B 44 -9.567 -1.195 -7.339 1.00 0.00 C ATOM 1660 CD GLN B 44 -10.986 -1.305 -6.815 1.00 0.00 C ATOM 1661 OE1 GLN B 44 -11.221 -1.846 -5.735 1.00 0.00 O ATOM 1662 NE2 GLN B 44 -11.941 -0.790 -7.580 1.00 0.00 N ATOM 0 H GLN B 44 -9.391 -4.945 -6.816 1.00 0.00 H new ATOM 0 HA GLN B 44 -10.613 -3.057 -8.678 1.00 0.00 H new ATOM 0 HB2 GLN B 44 -8.731 -2.979 -6.505 1.00 0.00 H new ATOM 0 HB3 GLN B 44 -7.912 -2.408 -7.945 1.00 0.00 H new ATOM 0 HG2 GLN B 44 -8.980 -0.577 -6.660 1.00 0.00 H new ATOM 0 HG3 GLN B 44 -9.578 -0.687 -8.303 1.00 0.00 H new ATOM 0 HE21 GLN B 44 -11.701 -0.350 -8.469 1.00 0.00 H new ATOM 0 HE22 GLN B 44 -12.915 -0.834 -7.279 1.00 0.00 H new ATOM 1671 N ALA B 45 -8.413 -5.188 -9.572 1.00 0.00 N ATOM 1672 CA ALA B 45 -7.625 -5.702 -10.686 1.00 0.00 C ATOM 1673 C ALA B 45 -8.323 -5.442 -12.017 1.00 0.00 C ATOM 1674 O ALA B 45 -7.673 -5.156 -13.022 1.00 0.00 O ATOM 1675 CB ALA B 45 -7.366 -7.191 -10.506 1.00 0.00 C ATOM 0 H ALA B 45 -8.562 -5.857 -8.816 1.00 0.00 H new ATOM 0 HA ALA B 45 -6.670 -5.177 -10.697 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -6.777 -7.562 -11.345 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -6.819 -7.356 -9.577 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -8.316 -7.723 -10.467 1.00 0.00 H new ATOM 1681 N GLU B 46 -9.648 -5.543 -12.015 1.00 0.00 N ATOM 1682 CA GLU B 46 -10.432 -5.320 -13.224 1.00 0.00 C ATOM 1683 C GLU B 46 -10.338 -3.864 -13.672 1.00 0.00 C ATOM 1684 O GLU B 46 -10.104 -3.579 -14.847 1.00 0.00 O ATOM 1685 CB GLU B 46 -11.895 -5.699 -12.987 1.00 0.00 C ATOM 1686 CG GLU B 46 -12.084 -7.129 -12.510 1.00 0.00 C ATOM 1687 CD GLU B 46 -13.460 -7.676 -12.837 1.00 0.00 C ATOM 1688 OE1 GLU B 46 -14.308 -6.897 -13.320 1.00 0.00 O ATOM 1689 OE2 GLU B 46 -13.689 -8.882 -12.610 1.00 0.00 O ATOM 0 H GLU B 46 -10.201 -5.778 -11.191 1.00 0.00 H new ATOM 0 HA GLU B 46 -10.024 -5.952 -14.013 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -12.323 -5.020 -12.250 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -12.453 -5.557 -13.913 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -11.326 -7.764 -12.969 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -11.927 -7.172 -11.432 1.00 0.00 H new ATOM 1696 N ARG B 47 -10.523 -2.948 -12.728 1.00 0.00 N ATOM 1697 CA ARG B 47 -10.461 -1.522 -13.025 1.00 0.00 C ATOM 1698 C ARG B 47 -9.097 -1.143 -13.594 1.00 0.00 C ATOM 1699 O ARG B 47 -9.004 -0.550 -14.669 1.00 0.00 O ATOM 1700 CB ARG B 47 -10.744 -0.704 -11.763 1.00 0.00 C ATOM 1701 CG ARG B 47 -10.672 0.799 -11.983 1.00 0.00 C ATOM 1702 CD ARG B 47 -9.302 1.349 -11.619 1.00 0.00 C ATOM 1703 NE ARG B 47 -9.143 2.741 -12.034 1.00 0.00 N ATOM 1704 CZ ARG B 47 -9.775 3.756 -11.456 1.00 0.00 C ATOM 1705 NH1 ARG B 47 -10.602 3.537 -10.444 1.00 0.00 N ATOM 1706 NH2 ARG B 47 -9.578 4.995 -11.890 1.00 0.00 N ATOM 0 H ARG B 47 -10.717 -3.167 -11.751 1.00 0.00 H new ATOM 0 HA ARG B 47 -11.222 -1.299 -13.773 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -11.735 -0.961 -11.388 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -10.028 -0.984 -10.990 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -10.891 1.026 -13.026 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -11.435 1.293 -11.382 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -9.155 1.273 -10.542 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -8.530 0.740 -12.090 1.00 0.00 H new ATOM 0 HE ARG B 47 -8.512 2.944 -12.810 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -10.755 2.587 -10.107 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -11.086 4.319 -10.002 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -8.941 5.168 -12.668 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -10.064 5.774 -11.446 1.00 0.00 H new ATOM 1720 N VAL B 48 -8.041 -1.491 -12.866 1.00 0.00 N ATOM 1721 CA VAL B 48 -6.681 -1.189 -13.298 1.00 0.00 C ATOM 1722 C VAL B 48 -6.395 -1.788 -14.670 1.00 0.00 C ATOM 1723 O VAL B 48 -5.737 -1.167 -15.505 1.00 0.00 O ATOM 1724 CB VAL B 48 -5.642 -1.717 -12.292 1.00 0.00 C ATOM 1725 CG1 VAL B 48 -5.746 -0.967 -10.973 1.00 0.00 C ATOM 1726 CG2 VAL B 48 -5.819 -3.213 -12.079 1.00 0.00 C ATOM 0 H VAL B 48 -8.101 -1.982 -11.974 1.00 0.00 H new ATOM 0 HA VAL B 48 -6.601 -0.103 -13.355 1.00 0.00 H new ATOM 0 HB VAL B 48 -4.646 -1.547 -12.702 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -5.004 -1.354 -10.275 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -5.565 0.094 -11.143 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -6.743 -1.103 -10.555 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -5.076 -3.569 -11.365 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -6.819 -3.410 -11.691 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -5.689 -3.733 -13.028 1.00 0.00 H new ATOM 1736 N ARG B 49 -6.894 -2.999 -14.896 1.00 0.00 N ATOM 1737 CA ARG B 49 -6.691 -3.684 -16.168 1.00 0.00 C ATOM 1738 C ARG B 49 -7.240 -2.855 -17.325 1.00 0.00 C ATOM 1739 O ARG B 49 -6.530 -2.571 -18.290 1.00 0.00 O ATOM 1740 CB ARG B 49 -7.365 -5.057 -16.145 1.00 0.00 C ATOM 1741 CG ARG B 49 -6.433 -6.186 -15.737 1.00 0.00 C ATOM 1742 CD ARG B 49 -7.180 -7.286 -15.000 1.00 0.00 C ATOM 1743 NE ARG B 49 -7.031 -8.583 -15.655 1.00 0.00 N ATOM 1744 CZ ARG B 49 -7.461 -9.725 -15.130 1.00 0.00 C ATOM 1745 NH1 ARG B 49 -8.065 -9.730 -13.950 1.00 0.00 N ATOM 1746 NH2 ARG B 49 -7.289 -10.865 -15.788 1.00 0.00 N ATOM 0 H ARG B 49 -7.441 -3.526 -14.216 1.00 0.00 H new ATOM 0 HA ARG B 49 -5.619 -3.816 -16.315 1.00 0.00 H new ATOM 0 HB2 ARG B 49 -8.209 -5.027 -15.456 1.00 0.00 H new ATOM 0 HB3 ARG B 49 -7.769 -5.271 -17.134 1.00 0.00 H new ATOM 0 HG2 ARG B 49 -5.953 -6.601 -16.623 1.00 0.00 H new ATOM 0 HG3 ARG B 49 -5.641 -5.793 -15.100 1.00 0.00 H new ATOM 0 HD2 ARG B 49 -6.810 -7.352 -13.977 1.00 0.00 H new ATOM 0 HD3 ARG B 49 -8.238 -7.029 -14.941 1.00 0.00 H new ATOM 0 HE ARG B 49 -6.572 -8.614 -16.565 1.00 0.00 H new ATOM 0 HH11 ARG B 49 -8.201 -8.856 -13.443 1.00 0.00 H new ATOM 0 HH12 ARG B 49 -8.394 -10.608 -13.549 1.00 0.00 H new ATOM 0 HH21 ARG B 49 -6.826 -10.864 -16.697 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -7.619 -11.742 -15.384 1.00 0.00 H new ATOM 1760 N ALA B 50 -8.508 -2.470 -17.222 1.00 0.00 N ATOM 1761 CA ALA B 50 -9.151 -1.673 -18.258 1.00 0.00 C ATOM 1762 C ALA B 50 -8.421 -0.351 -18.468 1.00 0.00 C ATOM 1763 O ALA B 50 -7.968 -0.050 -19.571 1.00 0.00 O ATOM 1764 CB ALA B 50 -10.609 -1.422 -17.902 1.00 0.00 C ATOM 0 H ALA B 50 -9.110 -2.698 -16.431 1.00 0.00 H new ATOM 0 HA ALA B 50 -9.107 -2.234 -19.192 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -11.077 -0.825 -18.685 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -11.131 -2.375 -17.811 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -10.665 -0.886 -16.955 1.00 0.00 H new ATOM 1770 N GLU B 51 -8.310 0.434 -17.401 1.00 0.00 N ATOM 1771 CA GLU B 51 -7.635 1.725 -17.469 1.00 0.00 C ATOM 1772 C GLU B 51 -6.234 1.576 -18.055 1.00 0.00 C ATOM 1773 O GLU B 51 -5.860 2.286 -18.988 1.00 0.00 O ATOM 1774 CB GLU B 51 -7.554 2.358 -16.079 1.00 0.00 C ATOM 1775 CG GLU B 51 -8.912 2.623 -15.450 1.00 0.00 C ATOM 1776 CD GLU B 51 -9.927 3.142 -16.451 1.00 0.00 C ATOM 1777 OE1 GLU B 51 -9.931 4.364 -16.710 1.00 0.00 O ATOM 1778 OE2 GLU B 51 -10.716 2.328 -16.974 1.00 0.00 O ATOM 0 H GLU B 51 -8.679 0.199 -16.480 1.00 0.00 H new ATOM 0 HA GLU B 51 -8.216 2.376 -18.122 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -6.981 1.702 -15.423 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -7.006 3.297 -16.148 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -9.287 1.703 -15.002 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -8.800 3.347 -14.643 1.00 0.00 H new ATOM 1785 N LEU B 52 -5.463 0.647 -17.499 1.00 0.00 N ATOM 1786 CA LEU B 52 -4.102 0.404 -17.964 1.00 0.00 C ATOM 1787 C LEU B 52 -4.067 0.234 -19.480 1.00 0.00 C ATOM 1788 O LEU B 52 -3.331 0.933 -20.176 1.00 0.00 O ATOM 1789 CB LEU B 52 -3.525 -0.840 -17.287 1.00 0.00 C ATOM 1790 CG LEU B 52 -2.106 -1.233 -17.700 1.00 0.00 C ATOM 1791 CD1 LEU B 52 -1.170 -1.187 -16.503 1.00 0.00 C ATOM 1792 CD2 LEU B 52 -2.099 -2.617 -18.333 1.00 0.00 C ATOM 0 H LEU B 52 -5.757 0.050 -16.726 1.00 0.00 H new ATOM 0 HA LEU B 52 -3.494 1.269 -17.699 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -3.537 -0.681 -16.209 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -4.187 -1.681 -17.492 1.00 0.00 H new ATOM 0 HG LEU B 52 -1.751 -0.515 -18.440 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -0.165 -1.470 -16.816 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -1.152 -0.177 -16.094 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -1.521 -1.881 -15.740 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -1.081 -2.880 -18.621 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -2.474 -3.347 -17.616 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -2.737 -2.616 -19.217 1.00 0.00 H new ATOM 1804 N ALA B 53 -4.869 -0.698 -19.984 1.00 0.00 N ATOM 1805 CA ALA B 53 -4.933 -0.957 -21.417 1.00 0.00 C ATOM 1806 C ALA B 53 -5.227 0.323 -22.193 1.00 0.00 C ATOM 1807 O ALA B 53 -4.627 0.578 -23.238 1.00 0.00 O ATOM 1808 CB ALA B 53 -5.988 -2.012 -21.717 1.00 0.00 C ATOM 0 H ALA B 53 -5.483 -1.286 -19.421 1.00 0.00 H new ATOM 0 HA ALA B 53 -3.960 -1.331 -21.737 1.00 0.00 H new ATOM 0 HB1 ALA B 53 -6.024 -2.195 -22.791 1.00 0.00 H new ATOM 0 HB2 ALA B 53 -5.735 -2.937 -21.200 1.00 0.00 H new ATOM 0 HB3 ALA B 53 -6.962 -1.660 -21.376 1.00 0.00 H new ATOM 1814 N ARG B 54 -6.155 1.123 -21.677 1.00 0.00 N ATOM 1815 CA ARG B 54 -6.529 2.375 -22.323 1.00 0.00 C ATOM 1816 C ARG B 54 -5.354 3.347 -22.347 1.00 0.00 C ATOM 1817 O ARG B 54 -5.258 4.200 -23.230 1.00 0.00 O ATOM 1818 CB ARG B 54 -7.717 3.011 -21.600 1.00 0.00 C ATOM 1819 CG ARG B 54 -9.007 2.217 -21.730 1.00 0.00 C ATOM 1820 CD ARG B 54 -10.035 2.651 -20.697 1.00 0.00 C ATOM 1821 NE ARG B 54 -10.592 3.967 -20.998 1.00 0.00 N ATOM 1822 CZ ARG B 54 -11.437 4.608 -20.198 1.00 0.00 C ATOM 1823 NH1 ARG B 54 -11.820 4.056 -19.055 1.00 0.00 N ATOM 1824 NH2 ARG B 54 -11.900 5.803 -20.542 1.00 0.00 N ATOM 0 H ARG B 54 -6.661 0.926 -20.814 1.00 0.00 H new ATOM 0 HA ARG B 54 -6.815 2.153 -23.351 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -7.472 3.120 -20.543 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -7.877 4.014 -21.995 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -9.417 2.349 -22.731 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -8.795 1.155 -21.610 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -10.840 1.917 -20.657 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -9.572 2.671 -19.711 1.00 0.00 H new ATOM 0 HE ARG B 54 -10.317 4.419 -21.870 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -11.466 3.137 -18.788 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -12.469 4.550 -18.442 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -11.607 6.230 -21.421 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -12.549 6.295 -19.928 1.00 0.00 H new ATOM 1838 N PHE B 55 -4.462 3.213 -21.371 1.00 0.00 N ATOM 1839 CA PHE B 55 -3.293 4.081 -21.279 1.00 0.00 C ATOM 1840 C PHE B 55 -2.179 3.593 -22.201 1.00 0.00 C ATOM 1841 O PHE B 55 -1.440 4.392 -22.777 1.00 0.00 O ATOM 1842 CB PHE B 55 -2.788 4.140 -19.836 1.00 0.00 C ATOM 1843 CG PHE B 55 -2.307 5.502 -19.425 1.00 0.00 C ATOM 1844 CD1 PHE B 55 -3.125 6.611 -19.563 1.00 0.00 C ATOM 1845 CD2 PHE B 55 -1.036 5.673 -18.899 1.00 0.00 C ATOM 1846 CE1 PHE B 55 -2.684 7.866 -19.186 1.00 0.00 C ATOM 1847 CE2 PHE B 55 -0.590 6.925 -18.520 1.00 0.00 C ATOM 1848 CZ PHE B 55 -1.416 8.022 -18.663 1.00 0.00 C ATOM 0 H PHE B 55 -4.526 2.512 -20.633 1.00 0.00 H new ATOM 0 HA PHE B 55 -3.589 5.082 -21.594 1.00 0.00 H new ATOM 0 HB2 PHE B 55 -3.589 3.829 -19.166 1.00 0.00 H new ATOM 0 HB3 PHE B 55 -1.975 3.424 -19.714 1.00 0.00 H new ATOM 0 HD1 PHE B 55 -4.119 6.494 -19.970 1.00 0.00 H new ATOM 0 HD2 PHE B 55 -0.387 4.818 -18.784 1.00 0.00 H new ATOM 0 HE1 PHE B 55 -3.331 8.723 -19.301 1.00 0.00 H new ATOM 0 HE2 PHE B 55 0.403 7.045 -18.113 1.00 0.00 H new ATOM 0 HZ PHE B 55 -1.070 9.001 -18.366 1.00 0.00 H new ATOM 1858 N LEU B 56 -2.065 2.276 -22.334 1.00 0.00 N ATOM 1859 CA LEU B 56 -1.041 1.679 -23.185 1.00 0.00 C ATOM 1860 C LEU B 56 -1.195 2.144 -24.630 1.00 0.00 C ATOM 1861 O LEU B 56 -0.208 2.403 -25.317 1.00 0.00 O ATOM 1862 CB LEU B 56 -1.119 0.153 -23.117 1.00 0.00 C ATOM 1863 CG LEU B 56 -0.168 -0.524 -22.129 1.00 0.00 C ATOM 1864 CD1 LEU B 56 1.270 -0.114 -22.406 1.00 0.00 C ATOM 1865 CD2 LEU B 56 -0.555 -0.184 -20.697 1.00 0.00 C ATOM 0 H LEU B 56 -2.669 1.601 -21.864 1.00 0.00 H new ATOM 0 HA LEU B 56 -0.066 2.003 -22.820 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -2.140 -0.128 -22.858 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -0.921 -0.246 -24.112 1.00 0.00 H new ATOM 0 HG LEU B 56 -0.248 -1.603 -22.259 1.00 0.00 H new ATOM 0 HD11 LEU B 56 1.932 -0.605 -21.693 1.00 0.00 H new ATOM 0 HD12 LEU B 56 1.544 -0.409 -23.419 1.00 0.00 H new ATOM 0 HD13 LEU B 56 1.366 0.967 -22.305 1.00 0.00 H new ATOM 0 HD21 LEU B 56 0.133 -0.674 -20.008 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -0.505 0.895 -20.553 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -1.571 -0.529 -20.503 1.00 0.00 H new ATOM 1877 N GLU B 57 -2.441 2.248 -25.083 1.00 0.00 N ATOM 1878 CA GLU B 57 -2.723 2.683 -26.446 1.00 0.00 C ATOM 1879 C GLU B 57 -2.582 4.196 -26.574 1.00 0.00 C ATOM 1880 O GLU B 57 -2.757 4.757 -27.655 1.00 0.00 O ATOM 1881 CB GLU B 57 -4.133 2.254 -26.860 1.00 0.00 C ATOM 1882 CG GLU B 57 -5.230 3.131 -26.280 1.00 0.00 C ATOM 1883 CD GLU B 57 -6.617 2.687 -26.705 1.00 0.00 C ATOM 1884 OE1 GLU B 57 -6.802 1.479 -26.957 1.00 0.00 O ATOM 1885 OE2 GLU B 57 -7.516 3.550 -26.784 1.00 0.00 O ATOM 0 H GLU B 57 -3.270 2.037 -24.527 1.00 0.00 H new ATOM 0 HA GLU B 57 -1.998 2.211 -27.109 1.00 0.00 H new ATOM 0 HB2 GLU B 57 -4.204 2.269 -27.948 1.00 0.00 H new ATOM 0 HB3 GLU B 57 -4.298 1.224 -26.544 1.00 0.00 H new ATOM 0 HG2 GLU B 57 -5.165 3.116 -25.192 1.00 0.00 H new ATOM 0 HG3 GLU B 57 -5.070 4.162 -26.595 1.00 0.00 H new ATOM 1892 N ASN B 58 -2.264 4.852 -25.463 1.00 0.00 N ATOM 1893 CA ASN B 58 -2.099 6.301 -25.450 1.00 0.00 C ATOM 1894 C ASN B 58 -0.654 6.682 -25.146 1.00 0.00 C ATOM 1895 O ASN B 58 -0.336 7.212 -24.081 1.00 0.00 O ATOM 1896 CB ASN B 58 -3.033 6.932 -24.415 1.00 0.00 C ATOM 1897 CG ASN B 58 -4.473 6.982 -24.890 1.00 0.00 C ATOM 1898 OD1 ASN B 58 -4.771 6.653 -26.038 1.00 0.00 O ATOM 1899 ND2 ASN B 58 -5.373 7.396 -24.006 1.00 0.00 N ATOM 0 H ASN B 58 -2.115 4.403 -24.559 1.00 0.00 H new ATOM 0 HA ASN B 58 -2.355 6.679 -26.440 1.00 0.00 H new ATOM 0 HB2 ASN B 58 -2.979 6.364 -23.487 1.00 0.00 H new ATOM 0 HB3 ASN B 58 -2.692 7.943 -24.190 1.00 0.00 H new ATOM 0 HD21 ASN B 58 -6.357 7.451 -24.268 1.00 0.00 H new ATOM 0 HD22 ASN B 58 -5.080 7.659 -23.065 1.00 0.00 H new ATOM 1906 N PRO B 59 0.245 6.406 -26.102 1.00 0.00 N ATOM 1907 CA PRO B 59 1.671 6.712 -25.961 1.00 0.00 C ATOM 1908 C PRO B 59 1.949 8.211 -25.996 1.00 0.00 C ATOM 1909 O PRO B 59 2.414 8.742 -27.004 1.00 0.00 O ATOM 1910 CB PRO B 59 2.304 6.022 -27.172 1.00 0.00 C ATOM 1911 CG PRO B 59 1.209 5.947 -28.179 1.00 0.00 C ATOM 1912 CD PRO B 59 -0.063 5.774 -27.396 1.00 0.00 C ATOM 0 HA PRO B 59 2.068 6.372 -25.004 1.00 0.00 H new ATOM 0 HB2 PRO B 59 3.153 6.590 -27.552 1.00 0.00 H new ATOM 0 HB3 PRO B 59 2.674 5.030 -26.914 1.00 0.00 H new ATOM 0 HG2 PRO B 59 1.174 6.852 -28.785 1.00 0.00 H new ATOM 0 HG3 PRO B 59 1.363 5.112 -28.862 1.00 0.00 H new ATOM 0 HD2 PRO B 59 -0.907 6.257 -27.888 1.00 0.00 H new ATOM 0 HD3 PRO B 59 -0.322 4.722 -27.278 1.00 0.00 H new ATOM 1920 N ALA B 60 1.661 8.887 -24.889 1.00 0.00 N ATOM 1921 CA ALA B 60 1.882 10.325 -24.793 1.00 0.00 C ATOM 1922 C ALA B 60 2.155 10.743 -23.352 1.00 0.00 C ATOM 1923 O ALA B 60 3.253 11.191 -23.023 1.00 0.00 O ATOM 1924 CB ALA B 60 0.684 11.081 -25.347 1.00 0.00 C ATOM 0 H ALA B 60 1.274 8.462 -24.046 1.00 0.00 H new ATOM 0 HA ALA B 60 2.761 10.574 -25.388 1.00 0.00 H new ATOM 0 HB1 ALA B 60 0.863 12.153 -25.269 1.00 0.00 H new ATOM 0 HB2 ALA B 60 0.537 10.813 -26.393 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -0.207 10.819 -24.776 1.00 0.00 H new ATOM 1930 N ASP B 61 1.148 10.596 -22.498 1.00 0.00 N ATOM 1931 CA ASP B 61 1.279 10.959 -21.091 1.00 0.00 C ATOM 1932 C ASP B 61 2.346 10.108 -20.408 1.00 0.00 C ATOM 1933 O ASP B 61 3.333 10.631 -19.889 1.00 0.00 O ATOM 1934 CB ASP B 61 -0.060 10.792 -20.373 1.00 0.00 C ATOM 1935 CG ASP B 61 -0.634 12.115 -19.904 1.00 0.00 C ATOM 1936 OD1 ASP B 61 -0.632 13.078 -20.700 1.00 0.00 O ATOM 1937 OD2 ASP B 61 -1.086 12.188 -18.742 1.00 0.00 O ATOM 0 H ASP B 61 0.232 10.228 -22.755 1.00 0.00 H new ATOM 0 HA ASP B 61 1.583 12.004 -21.037 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -0.771 10.308 -21.043 1.00 0.00 H new ATOM 0 HB3 ASP B 61 0.070 10.131 -19.516 1.00 0.00 H new ATOM 1942 N LEU B 62 2.141 8.796 -20.412 1.00 0.00 N ATOM 1943 CA LEU B 62 3.084 7.872 -19.792 1.00 0.00 C ATOM 1944 C LEU B 62 4.479 8.036 -20.388 1.00 0.00 C ATOM 1945 O LEU B 62 4.728 7.635 -21.525 1.00 0.00 O ATOM 1946 CB LEU B 62 2.607 6.430 -19.969 1.00 0.00 C ATOM 1947 CG LEU B 62 2.170 6.036 -21.380 1.00 0.00 C ATOM 1948 CD1 LEU B 62 3.271 5.255 -22.081 1.00 0.00 C ATOM 1949 CD2 LEU B 62 0.884 5.223 -21.332 1.00 0.00 C ATOM 0 H LEU B 62 1.330 8.348 -20.838 1.00 0.00 H new ATOM 0 HA LEU B 62 3.135 8.103 -18.728 1.00 0.00 H new ATOM 0 HB2 LEU B 62 3.411 5.762 -19.659 1.00 0.00 H new ATOM 0 HB3 LEU B 62 1.771 6.259 -19.290 1.00 0.00 H new ATOM 0 HG LEU B 62 1.980 6.946 -21.949 1.00 0.00 H new ATOM 0 HD11 LEU B 62 2.942 4.983 -23.084 1.00 0.00 H new ATOM 0 HD12 LEU B 62 4.168 5.871 -22.148 1.00 0.00 H new ATOM 0 HD13 LEU B 62 3.493 4.351 -21.514 1.00 0.00 H new ATOM 0 HD21 LEU B 62 0.587 4.951 -22.345 1.00 0.00 H new ATOM 0 HD22 LEU B 62 1.047 4.318 -20.746 1.00 0.00 H new ATOM 0 HD23 LEU B 62 0.095 5.817 -20.870 1.00 0.00 H new ATOM 1961 N GLU B 63 5.383 8.625 -19.613 1.00 0.00 N ATOM 1962 CA GLU B 63 6.753 8.840 -20.065 1.00 0.00 C ATOM 1963 C GLU B 63 7.719 8.860 -18.884 1.00 0.00 C ATOM 1964 O GLU B 63 7.879 9.882 -18.219 1.00 0.00 O ATOM 1965 CB GLU B 63 6.856 10.152 -20.845 1.00 0.00 C ATOM 1966 CG GLU B 63 5.866 10.258 -21.993 1.00 0.00 C ATOM 1967 CD GLU B 63 6.203 11.382 -22.952 1.00 0.00 C ATOM 1968 OE1 GLU B 63 6.998 11.149 -23.886 1.00 0.00 O ATOM 1969 OE2 GLU B 63 5.670 12.497 -22.769 1.00 0.00 O ATOM 0 H GLU B 63 5.192 8.962 -18.669 1.00 0.00 H new ATOM 0 HA GLU B 63 7.026 8.013 -20.721 1.00 0.00 H new ATOM 0 HB2 GLU B 63 6.696 10.985 -20.161 1.00 0.00 H new ATOM 0 HB3 GLU B 63 7.868 10.252 -21.238 1.00 0.00 H new ATOM 0 HG2 GLU B 63 5.845 9.314 -22.538 1.00 0.00 H new ATOM 0 HG3 GLU B 63 4.865 10.416 -21.591 1.00 0.00 H new TER 1976 GLU B 63