USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 811 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 THR OG1 : rot -150:sc= 0 USER MOD Set 1.2: A 81 SER OG : rot 180:sc= -1.79! USER MOD Set 2.1: A 24 THR OG1 : rot 135:sc= 0.22 USER MOD Set 2.2: A 59 HIS : no HD1:sc= -0.369 X(o=-0.15,f=-0.19) USER MOD Set 3.1: A 4 MET CE :methyl 158:sc= -2.11 (180deg=-0.115) USER MOD Set 3.2: A 27 MET CE :methyl -149:sc= -7.44! (180deg=-3.67!) USER MOD Set 3.3: A 34 HIS : no HD1:sc= -5.24! C(o=-15!,f=-14!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.734 K(o=-0.73,f=-3.3!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -1.9 K(o=-1.9,f=-5.2!) USER MOD Single : A 12 THR OG1 : rot 4:sc= 0.689! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 94:sc= 1.08 USER MOD Single : A 19 SER OG : rot 67:sc= 0.189 USER MOD Single : A 25 MET CE :methyl -122:sc= -0.0523 (180deg=-0.405) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-0.34) USER MOD Single : A 39 GLN : amide:sc= -0.74 K(o=-0.74,f=-0.08!) USER MOD Single : A 40 TYR OH : rot 0:sc= -0.194 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc=-0.00307 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -83:sc= 0.433 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0407 USER MOD Single : A 56 GLN : amide:sc= -0.225 K(o=-0.22,f=-2.2!) USER MOD Single : A 57 ASN : amide:sc= -2.29! C(o=-2.3!,f=-3.4!) USER MOD Single : A 60 SER OG : rot 180:sc= -0.037 USER MOD Single : A 61 MET CE :methyl -149:sc= -1.19 (180deg=-2.09) USER MOD Single : A 69 SER OG : rot -19:sc= 0.6 USER MOD Single : A 70 THR OG1 : rot 71:sc= 0.234 USER MOD Single : A 72 TYR OH : rot 141:sc= -1.29 USER MOD Single : A 80 THR OG1 : rot 56:sc= 1.14 USER MOD Single : A 83 THR OG1 : rot -77:sc= 0.253! USER MOD Single : A 85 TYR OH : rot 180:sc= -0.614 USER MOD Single : A 86 ASN : amide:sc= -5.5! K(o=-5.5!,f=-1.5) USER MOD Single : A 90 SER OG : rot 148:sc= 0.0861 USER MOD Single : A 93 SER OG : rot 130:sc= -0.228! USER MOD Single : A 97 SER OG : rot -126:sc= 1.46 USER MOD Single : A 100 THR OG1 : rot -171:sc= 1.18 USER MOD Single : A 102 SER OG : rot 56:sc= 0.117 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.404 1.695 -7.542 1.00 0.00 N ATOM 2 CA MET A 1 12.721 3.015 -7.516 1.00 0.00 C ATOM 3 C MET A 1 12.943 3.775 -8.819 1.00 0.00 C ATOM 4 O MET A 1 14.080 3.991 -9.237 1.00 0.00 O ATOM 5 CB MET A 1 13.265 3.822 -6.336 1.00 0.00 C ATOM 6 CG MET A 1 12.274 3.975 -5.194 1.00 0.00 C ATOM 7 SD MET A 1 11.616 5.649 -5.067 1.00 0.00 S ATOM 8 CE MET A 1 11.433 5.806 -3.292 1.00 0.00 C ATOM 0 H1 MET A 1 13.236 1.200 -6.643 1.00 0.00 H new ATOM 0 H2 MET A 1 13.028 1.125 -8.327 1.00 0.00 H new ATOM 0 H3 MET A 1 14.426 1.835 -7.674 1.00 0.00 H new ATOM 0 HA MET A 1 11.648 2.861 -7.404 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.167 3.338 -5.961 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.557 4.812 -6.687 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.451 3.275 -5.336 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.762 3.708 -4.256 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.034 6.792 -3.053 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.749 5.040 -2.928 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.405 5.682 -2.814 1.00 0.00 H new ATOM 20 N ILE A 2 11.849 4.177 -9.457 1.00 0.00 N ATOM 21 CA ILE A 2 11.924 4.911 -10.715 1.00 0.00 C ATOM 22 C ILE A 2 12.528 6.298 -10.510 1.00 0.00 C ATOM 23 O ILE A 2 13.017 6.619 -9.427 1.00 0.00 O ATOM 24 CB ILE A 2 10.533 5.055 -11.364 1.00 0.00 C ATOM 25 CG1 ILE A 2 9.630 5.937 -10.501 1.00 0.00 C ATOM 26 CG2 ILE A 2 9.902 3.686 -11.569 1.00 0.00 C ATOM 27 CD1 ILE A 2 9.416 7.323 -11.067 1.00 0.00 C ATOM 0 H ILE A 2 10.900 4.007 -9.124 1.00 0.00 H new ATOM 0 HA ILE A 2 12.568 4.335 -11.380 1.00 0.00 H new ATOM 0 HB ILE A 2 10.651 5.532 -12.337 1.00 0.00 H new ATOM 0 HG12 ILE A 2 8.663 5.448 -10.385 1.00 0.00 H new ATOM 0 HG13 ILE A 2 10.065 6.024 -9.505 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.920 3.803 -12.028 1.00 0.00 H new ATOM 0 HG22 ILE A 2 10.538 3.086 -12.220 1.00 0.00 H new ATOM 0 HG23 ILE A 2 9.795 3.187 -10.606 1.00 0.00 H new ATOM 0 HD11 ILE A 2 8.766 7.891 -10.402 1.00 0.00 H new ATOM 0 HD12 ILE A 2 10.376 7.831 -11.157 1.00 0.00 H new ATOM 0 HD13 ILE A 2 8.952 7.247 -12.050 1.00 0.00 H new ATOM 39 N GLN A 3 12.491 7.115 -11.559 1.00 0.00 N ATOM 40 CA GLN A 3 13.036 8.467 -11.497 1.00 0.00 C ATOM 41 C GLN A 3 11.950 9.503 -11.772 1.00 0.00 C ATOM 42 O GLN A 3 11.039 9.263 -12.565 1.00 0.00 O ATOM 43 CB GLN A 3 14.181 8.622 -12.502 1.00 0.00 C ATOM 44 CG GLN A 3 13.720 8.724 -13.948 1.00 0.00 C ATOM 45 CD GLN A 3 13.235 7.398 -14.502 1.00 0.00 C ATOM 46 OE1 GLN A 3 13.598 6.333 -14.003 1.00 0.00 O ATOM 47 NE2 GLN A 3 12.410 7.458 -15.540 1.00 0.00 N ATOM 0 H GLN A 3 12.089 6.864 -12.462 1.00 0.00 H new ATOM 0 HA GLN A 3 13.422 8.635 -10.492 1.00 0.00 H new ATOM 0 HB2 GLN A 3 14.755 9.514 -12.250 1.00 0.00 H new ATOM 0 HB3 GLN A 3 14.855 7.771 -12.405 1.00 0.00 H new ATOM 0 HG2 GLN A 3 12.917 9.458 -14.018 1.00 0.00 H new ATOM 0 HG3 GLN A 3 14.542 9.091 -14.562 1.00 0.00 H new ATOM 0 HE21 GLN A 3 12.135 8.363 -15.922 1.00 0.00 H new ATOM 0 HE22 GLN A 3 12.051 6.599 -15.956 1.00 0.00 H new ATOM 56 N MET A 4 12.047 10.653 -11.112 1.00 0.00 N ATOM 57 CA MET A 4 11.064 11.717 -11.288 1.00 0.00 C ATOM 58 C MET A 4 9.682 11.249 -10.839 1.00 0.00 C ATOM 59 O MET A 4 9.524 10.135 -10.340 1.00 0.00 O ATOM 60 CB MET A 4 11.013 12.158 -12.755 1.00 0.00 C ATOM 61 CG MET A 4 11.522 13.573 -12.996 1.00 0.00 C ATOM 62 SD MET A 4 10.471 14.839 -12.255 1.00 0.00 S ATOM 63 CE MET A 4 9.547 15.405 -13.682 1.00 0.00 C ATOM 0 H MET A 4 12.794 10.872 -10.452 1.00 0.00 H new ATOM 0 HA MET A 4 11.364 12.565 -10.673 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.604 11.464 -13.353 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.984 12.088 -13.109 1.00 0.00 H new ATOM 0 HG2 MET A 4 12.530 13.664 -12.592 1.00 0.00 H new ATOM 0 HG3 MET A 4 11.592 13.750 -14.069 1.00 0.00 H new ATOM 0 HE1 MET A 4 8.621 15.876 -13.352 1.00 0.00 H new ATOM 0 HE2 MET A 4 10.144 16.127 -14.239 1.00 0.00 H new ATOM 0 HE3 MET A 4 9.313 14.556 -14.324 1.00 0.00 H new ATOM 73 N ALA A 5 8.683 12.104 -11.027 1.00 0.00 N ATOM 74 CA ALA A 5 7.313 11.782 -10.650 1.00 0.00 C ATOM 75 C ALA A 5 6.330 12.687 -11.387 1.00 0.00 C ATOM 76 O ALA A 5 6.426 13.912 -11.302 1.00 0.00 O ATOM 77 CB ALA A 5 7.133 11.917 -9.145 1.00 0.00 C ATOM 0 H ALA A 5 8.798 13.029 -11.440 1.00 0.00 H new ATOM 0 HA ALA A 5 7.110 10.749 -10.933 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.105 11.673 -8.878 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.812 11.234 -8.635 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.353 12.941 -8.843 1.00 0.00 H new ATOM 83 N PRO A 6 5.373 12.104 -12.128 1.00 0.00 N ATOM 84 CA PRO A 6 4.384 12.882 -12.881 1.00 0.00 C ATOM 85 C PRO A 6 3.606 13.847 -11.990 1.00 0.00 C ATOM 86 O PRO A 6 3.268 13.518 -10.853 1.00 0.00 O ATOM 87 CB PRO A 6 3.449 11.815 -13.457 1.00 0.00 C ATOM 88 CG PRO A 6 4.266 10.571 -13.488 1.00 0.00 C ATOM 89 CD PRO A 6 5.176 10.653 -12.297 1.00 0.00 C ATOM 0 HA PRO A 6 4.853 13.508 -13.640 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.561 11.690 -12.837 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.105 12.087 -14.455 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.633 9.685 -13.437 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.838 10.501 -14.413 1.00 0.00 H new ATOM 0 HD2 PRO A 6 4.725 10.201 -11.413 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.119 10.136 -12.474 1.00 0.00 H new ATOM 97 N PRO A 7 3.309 15.056 -12.496 1.00 0.00 N ATOM 98 CA PRO A 7 2.565 16.067 -11.738 1.00 0.00 C ATOM 99 C PRO A 7 1.144 15.618 -11.415 1.00 0.00 C ATOM 100 O PRO A 7 0.743 14.502 -11.748 1.00 0.00 O ATOM 101 CB PRO A 7 2.542 17.282 -12.675 1.00 0.00 C ATOM 102 CG PRO A 7 2.788 16.728 -14.036 1.00 0.00 C ATOM 103 CD PRO A 7 3.674 15.532 -13.842 1.00 0.00 C ATOM 0 HA PRO A 7 3.028 16.270 -10.772 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.583 17.799 -12.627 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.309 18.006 -12.400 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.852 16.446 -14.518 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.266 17.468 -14.678 1.00 0.00 H new ATOM 0 HD2 PRO A 7 3.494 14.770 -14.601 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.729 15.799 -13.902 1.00 0.00 H new ATOM 111 N SER A 8 0.387 16.495 -10.767 1.00 0.00 N ATOM 112 CA SER A 8 -0.992 16.194 -10.400 1.00 0.00 C ATOM 113 C SER A 8 -1.945 16.600 -11.518 1.00 0.00 C ATOM 114 O SER A 8 -2.198 17.786 -11.731 1.00 0.00 O ATOM 115 CB SER A 8 -1.368 16.918 -9.106 1.00 0.00 C ATOM 116 OG SER A 8 -2.297 16.162 -8.349 1.00 0.00 O ATOM 0 H SER A 8 0.705 17.422 -10.484 1.00 0.00 H new ATOM 0 HA SER A 8 -1.077 15.119 -10.242 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.471 17.098 -8.513 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.795 17.893 -9.342 1.00 0.00 H new ATOM 0 HG SER A 8 -2.519 16.646 -7.526 1.00 0.00 H new ATOM 122 N LEU A 9 -2.465 15.611 -12.236 1.00 0.00 N ATOM 123 CA LEU A 9 -3.383 15.871 -13.338 1.00 0.00 C ATOM 124 C LEU A 9 -4.815 16.033 -12.838 1.00 0.00 C ATOM 125 O LEU A 9 -5.275 15.280 -11.979 1.00 0.00 O ATOM 126 CB LEU A 9 -3.314 14.739 -14.364 1.00 0.00 C ATOM 127 CG LEU A 9 -4.334 14.828 -15.501 1.00 0.00 C ATOM 128 CD1 LEU A 9 -4.323 16.216 -16.124 1.00 0.00 C ATOM 129 CD2 LEU A 9 -4.051 13.768 -16.553 1.00 0.00 C ATOM 0 H LEU A 9 -2.267 14.623 -12.075 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.080 16.804 -13.812 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.313 14.722 -14.796 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.454 13.791 -13.845 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.326 14.647 -15.087 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.055 16.259 -16.930 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.575 16.957 -15.366 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.331 16.428 -16.523 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.786 13.845 -17.354 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.052 13.918 -16.961 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.112 12.779 -16.099 1.00 0.00 H new ATOM 141 N ASN A 10 -5.514 17.019 -13.388 1.00 0.00 N ATOM 142 CA ASN A 10 -6.897 17.286 -13.013 1.00 0.00 C ATOM 143 C ASN A 10 -7.592 18.105 -14.095 1.00 0.00 C ATOM 144 O ASN A 10 -7.032 19.077 -14.602 1.00 0.00 O ATOM 145 CB ASN A 10 -6.959 18.020 -11.668 1.00 0.00 C ATOM 146 CG ASN A 10 -6.532 19.473 -11.770 1.00 0.00 C ATOM 147 OD1 ASN A 10 -7.216 20.292 -12.385 1.00 0.00 O ATOM 148 ND2 ASN A 10 -5.397 19.800 -11.164 1.00 0.00 N ATOM 0 H ASN A 10 -5.143 17.650 -14.099 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.415 16.333 -12.910 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.976 17.972 -11.280 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -6.319 17.508 -10.950 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -5.060 20.762 -11.197 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.862 19.089 -10.666 1.00 0.00 H new ATOM 155 N VAL A 11 -8.809 17.710 -14.448 1.00 0.00 N ATOM 156 CA VAL A 11 -9.561 18.419 -15.473 1.00 0.00 C ATOM 157 C VAL A 11 -10.505 19.447 -14.860 1.00 0.00 C ATOM 158 O VAL A 11 -11.111 19.210 -13.815 1.00 0.00 O ATOM 159 CB VAL A 11 -10.364 17.450 -16.367 1.00 0.00 C ATOM 160 CG1 VAL A 11 -9.448 16.388 -16.949 1.00 0.00 C ATOM 161 CG2 VAL A 11 -11.507 16.802 -15.602 1.00 0.00 C ATOM 0 H VAL A 11 -9.293 16.909 -14.043 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.829 18.937 -16.093 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.797 18.030 -17.182 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.028 15.712 -17.577 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.673 16.865 -17.549 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.985 15.824 -16.140 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -12.050 16.126 -16.263 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.107 16.240 -14.758 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -12.184 17.574 -15.236 1.00 0.00 H new ATOM 171 N THR A 12 -10.624 20.591 -15.521 1.00 0.00 N ATOM 172 CA THR A 12 -11.496 21.659 -15.053 1.00 0.00 C ATOM 173 C THR A 12 -12.316 22.209 -16.201 1.00 0.00 C ATOM 174 O THR A 12 -11.780 22.708 -17.190 1.00 0.00 O ATOM 175 CB THR A 12 -10.685 22.776 -14.395 1.00 0.00 C ATOM 176 OG1 THR A 12 -10.069 23.592 -15.375 1.00 0.00 O ATOM 177 CG2 THR A 12 -9.599 22.265 -13.472 1.00 0.00 C ATOM 0 H THR A 12 -10.126 20.803 -16.385 1.00 0.00 H new ATOM 0 HA THR A 12 -12.172 21.244 -14.306 1.00 0.00 H new ATOM 0 HB THR A 12 -11.403 23.344 -13.803 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.353 23.303 -16.267 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.063 23.109 -13.039 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.048 21.673 -12.675 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.903 21.644 -14.037 1.00 0.00 H new ATOM 185 N LYS A 13 -13.622 22.097 -16.057 1.00 0.00 N ATOM 186 CA LYS A 13 -14.545 22.564 -17.081 1.00 0.00 C ATOM 187 C LYS A 13 -14.990 23.999 -16.813 1.00 0.00 C ATOM 188 O LYS A 13 -15.106 24.424 -15.663 1.00 0.00 O ATOM 189 CB LYS A 13 -15.758 21.626 -17.170 1.00 0.00 C ATOM 190 CG LYS A 13 -16.866 21.932 -16.174 1.00 0.00 C ATOM 191 CD LYS A 13 -17.862 20.787 -16.078 1.00 0.00 C ATOM 192 CE LYS A 13 -19.120 21.206 -15.335 1.00 0.00 C ATOM 193 NZ LYS A 13 -19.331 20.400 -14.102 1.00 0.00 N ATOM 0 H LYS A 13 -14.072 21.686 -15.239 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.024 22.554 -18.038 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -16.169 21.678 -18.178 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -15.421 20.601 -17.016 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.432 22.121 -15.192 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -17.385 22.843 -16.474 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -18.126 20.447 -17.080 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -17.400 19.943 -15.566 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -19.051 22.261 -15.071 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -19.983 21.097 -15.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -20.199 20.717 -13.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -19.422 19.395 -14.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -18.520 20.524 -13.463 1.00 0.00 H new ATOM 207 N ASP A 14 -15.246 24.734 -17.887 1.00 0.00 N ATOM 208 CA ASP A 14 -15.689 26.118 -17.786 1.00 0.00 C ATOM 209 C ASP A 14 -16.866 26.359 -18.723 1.00 0.00 C ATOM 210 O ASP A 14 -16.956 27.398 -19.376 1.00 0.00 O ATOM 211 CB ASP A 14 -14.543 27.072 -18.126 1.00 0.00 C ATOM 212 CG ASP A 14 -14.485 28.261 -17.188 1.00 0.00 C ATOM 213 OD1 ASP A 14 -15.559 28.745 -16.775 1.00 0.00 O ATOM 214 OD2 ASP A 14 -13.364 28.710 -16.867 1.00 0.00 O ATOM 0 H ASP A 14 -15.154 24.392 -18.844 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.007 26.308 -16.761 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.598 26.531 -18.082 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.660 27.426 -19.150 1.00 0.00 H new ATOM 219 N GLY A 15 -17.760 25.378 -18.788 1.00 0.00 N ATOM 220 CA GLY A 15 -18.918 25.479 -19.652 1.00 0.00 C ATOM 221 C GLY A 15 -18.961 24.352 -20.664 1.00 0.00 C ATOM 222 O GLY A 15 -18.939 24.590 -21.871 1.00 0.00 O ATOM 0 H GLY A 15 -17.701 24.511 -18.254 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -19.825 25.461 -19.048 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -18.901 26.436 -20.173 1.00 0.00 H new ATOM 226 N ASP A 16 -19.008 23.116 -20.163 1.00 0.00 N ATOM 227 CA ASP A 16 -19.038 21.925 -21.014 1.00 0.00 C ATOM 228 C ASP A 16 -17.629 21.535 -21.449 1.00 0.00 C ATOM 229 O ASP A 16 -17.211 20.390 -21.276 1.00 0.00 O ATOM 230 CB ASP A 16 -19.923 22.142 -22.246 1.00 0.00 C ATOM 231 CG ASP A 16 -20.858 20.976 -22.499 1.00 0.00 C ATOM 232 OD1 ASP A 16 -21.669 20.659 -21.604 1.00 0.00 O ATOM 233 OD2 ASP A 16 -20.779 20.379 -23.593 1.00 0.00 O ATOM 0 H ASP A 16 -19.026 22.913 -19.164 1.00 0.00 H new ATOM 0 HA ASP A 16 -19.464 21.113 -20.424 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -20.509 23.052 -22.113 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -19.291 22.294 -23.121 1.00 0.00 H new ATOM 238 N SER A 17 -16.900 22.494 -22.012 1.00 0.00 N ATOM 239 CA SER A 17 -15.537 22.249 -22.468 1.00 0.00 C ATOM 240 C SER A 17 -14.603 22.021 -21.282 1.00 0.00 C ATOM 241 O SER A 17 -14.473 22.880 -20.410 1.00 0.00 O ATOM 242 CB SER A 17 -15.038 23.428 -23.305 1.00 0.00 C ATOM 243 OG SER A 17 -15.798 23.570 -24.493 1.00 0.00 O ATOM 0 H SER A 17 -17.231 23.447 -22.163 1.00 0.00 H new ATOM 0 HA SER A 17 -15.541 21.351 -23.085 1.00 0.00 H new ATOM 0 HB2 SER A 17 -15.099 24.345 -22.719 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.988 23.280 -23.557 1.00 0.00 H new ATOM 0 HG SER A 17 -15.460 24.332 -25.009 1.00 0.00 H new ATOM 249 N TYR A 18 -13.958 20.859 -21.255 1.00 0.00 N ATOM 250 CA TYR A 18 -13.039 20.520 -20.173 1.00 0.00 C ATOM 251 C TYR A 18 -11.603 20.886 -20.541 1.00 0.00 C ATOM 252 O TYR A 18 -11.294 21.132 -21.707 1.00 0.00 O ATOM 253 CB TYR A 18 -13.126 19.026 -19.850 1.00 0.00 C ATOM 254 CG TYR A 18 -14.446 18.612 -19.240 1.00 0.00 C ATOM 255 CD1 TYR A 18 -15.542 18.317 -20.042 1.00 0.00 C ATOM 256 CD2 TYR A 18 -14.597 18.519 -17.863 1.00 0.00 C ATOM 257 CE1 TYR A 18 -16.751 17.941 -19.488 1.00 0.00 C ATOM 258 CE2 TYR A 18 -15.803 18.144 -17.301 1.00 0.00 C ATOM 259 CZ TYR A 18 -16.876 17.856 -18.117 1.00 0.00 C ATOM 260 OH TYR A 18 -18.079 17.483 -17.562 1.00 0.00 O ATOM 0 H TYR A 18 -14.054 20.137 -21.969 1.00 0.00 H new ATOM 0 HA TYR A 18 -13.329 21.095 -19.293 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -12.964 18.456 -20.765 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -12.321 18.764 -19.164 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -15.447 18.383 -21.116 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -13.758 18.743 -17.220 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -17.593 17.715 -20.125 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -15.904 18.077 -16.228 1.00 0.00 H new ATOM 0 HH TYR A 18 -18.082 16.515 -17.407 1.00 0.00 H new ATOM 270 N SER A 19 -10.729 20.915 -19.539 1.00 0.00 N ATOM 271 CA SER A 19 -9.324 21.245 -19.756 1.00 0.00 C ATOM 272 C SER A 19 -8.453 20.664 -18.646 1.00 0.00 C ATOM 273 O SER A 19 -8.859 20.618 -17.485 1.00 0.00 O ATOM 274 CB SER A 19 -9.135 22.761 -19.828 1.00 0.00 C ATOM 275 OG SER A 19 -10.381 23.435 -19.781 1.00 0.00 O ATOM 0 H SER A 19 -10.969 20.714 -18.568 1.00 0.00 H new ATOM 0 HA SER A 19 -9.017 20.805 -20.705 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.508 23.092 -19.000 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.612 23.022 -20.748 1.00 0.00 H new ATOM 0 HG SER A 19 -10.787 23.311 -18.898 1.00 0.00 H new ATOM 281 N LEU A 20 -7.258 20.211 -19.014 1.00 0.00 N ATOM 282 CA LEU A 20 -6.333 19.621 -18.056 1.00 0.00 C ATOM 283 C LEU A 20 -5.592 20.685 -17.253 1.00 0.00 C ATOM 284 O LEU A 20 -5.480 21.836 -17.675 1.00 0.00 O ATOM 285 CB LEU A 20 -5.320 18.735 -18.789 1.00 0.00 C ATOM 286 CG LEU A 20 -5.870 17.455 -19.449 1.00 0.00 C ATOM 287 CD1 LEU A 20 -7.312 17.179 -19.046 1.00 0.00 C ATOM 288 CD2 LEU A 20 -5.754 17.534 -20.961 1.00 0.00 C ATOM 0 H LEU A 20 -6.908 20.242 -19.972 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.918 19.021 -17.359 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.838 19.336 -19.561 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.545 18.446 -18.080 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.261 16.625 -19.090 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.658 16.268 -19.534 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.370 17.056 -17.965 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.941 18.015 -19.350 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.148 16.620 -21.404 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.324 18.389 -21.325 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.707 17.650 -21.240 1.00 0.00 H new ATOM 300 N ARG A 21 -5.080 20.281 -16.094 1.00 0.00 N ATOM 301 CA ARG A 21 -4.337 21.182 -15.221 1.00 0.00 C ATOM 302 C ARG A 21 -3.294 20.410 -14.423 1.00 0.00 C ATOM 303 O ARG A 21 -3.585 19.860 -13.361 1.00 0.00 O ATOM 304 CB ARG A 21 -5.284 21.914 -14.277 1.00 0.00 C ATOM 305 CG ARG A 21 -4.817 23.312 -13.908 1.00 0.00 C ATOM 306 CD ARG A 21 -5.983 24.281 -13.816 1.00 0.00 C ATOM 307 NE ARG A 21 -6.423 24.479 -12.438 1.00 0.00 N ATOM 308 CZ ARG A 21 -7.520 25.151 -12.104 1.00 0.00 C ATOM 309 NH1 ARG A 21 -8.286 25.684 -13.046 1.00 0.00 N ATOM 310 NH2 ARG A 21 -7.852 25.289 -10.828 1.00 0.00 N ATOM 0 H ARG A 21 -5.167 19.330 -15.737 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.827 21.918 -15.843 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.268 21.980 -14.742 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.401 21.327 -13.366 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.292 23.281 -12.953 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.105 23.667 -14.653 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.692 25.240 -14.245 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.815 23.905 -14.412 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.857 24.079 -11.690 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.034 25.579 -14.029 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.128 26.199 -12.788 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.265 24.879 -10.101 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.694 25.805 -10.573 1.00 0.00 H new ATOM 324 N TRP A 22 -2.083 20.368 -14.955 1.00 0.00 N ATOM 325 CA TRP A 22 -0.981 19.655 -14.316 1.00 0.00 C ATOM 326 C TRP A 22 0.093 20.624 -13.827 1.00 0.00 C ATOM 327 O TRP A 22 0.526 21.508 -14.565 1.00 0.00 O ATOM 328 CB TRP A 22 -0.368 18.655 -15.302 1.00 0.00 C ATOM 329 CG TRP A 22 -0.292 19.190 -16.699 1.00 0.00 C ATOM 330 CD1 TRP A 22 0.523 20.186 -17.147 1.00 0.00 C ATOM 331 CD2 TRP A 22 -1.068 18.770 -17.828 1.00 0.00 C ATOM 332 NE1 TRP A 22 0.300 20.416 -18.481 1.00 0.00 N ATOM 333 CE2 TRP A 22 -0.671 19.560 -18.921 1.00 0.00 C ATOM 334 CE3 TRP A 22 -2.059 17.805 -18.021 1.00 0.00 C ATOM 335 CZ2 TRP A 22 -1.228 19.417 -20.185 1.00 0.00 C ATOM 336 CZ3 TRP A 22 -2.613 17.661 -19.280 1.00 0.00 C ATOM 337 CH2 TRP A 22 -2.198 18.464 -20.348 1.00 0.00 C ATOM 0 H TRP A 22 -1.834 20.822 -15.834 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.377 19.121 -13.452 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.634 18.387 -14.965 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -0.960 17.740 -15.300 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.241 20.717 -16.540 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.780 21.112 -19.051 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.387 17.182 -17.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.908 20.035 -21.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.379 16.916 -19.441 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -2.651 18.330 -21.319 1.00 0.00 H new ATOM 348 N GLU A 23 0.522 20.447 -12.581 1.00 0.00 N ATOM 349 CA GLU A 23 1.549 21.303 -11.996 1.00 0.00 C ATOM 350 C GLU A 23 2.754 20.477 -11.557 1.00 0.00 C ATOM 351 O GLU A 23 2.636 19.591 -10.711 1.00 0.00 O ATOM 352 CB GLU A 23 0.985 22.077 -10.805 1.00 0.00 C ATOM 353 CG GLU A 23 1.218 23.576 -10.889 1.00 0.00 C ATOM 354 CD GLU A 23 -0.071 24.371 -10.826 1.00 0.00 C ATOM 355 OE1 GLU A 23 -0.851 24.159 -9.874 1.00 0.00 O ATOM 356 OE2 GLU A 23 -0.301 25.202 -11.729 1.00 0.00 O ATOM 0 H GLU A 23 0.175 19.719 -11.957 1.00 0.00 H new ATOM 0 HA GLU A 23 1.872 22.013 -12.757 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.086 21.888 -10.733 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.438 21.698 -9.889 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.871 23.885 -10.073 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.738 23.808 -11.818 1.00 0.00 H new ATOM 363 N THR A 24 3.911 20.768 -12.142 1.00 0.00 N ATOM 364 CA THR A 24 5.135 20.045 -11.814 1.00 0.00 C ATOM 365 C THR A 24 5.909 20.739 -10.700 1.00 0.00 C ATOM 366 O THR A 24 6.033 21.964 -10.681 1.00 0.00 O ATOM 367 CB THR A 24 6.025 19.915 -13.050 1.00 0.00 C ATOM 368 OG1 THR A 24 6.178 21.169 -13.692 1.00 0.00 O ATOM 369 CG2 THR A 24 5.493 18.936 -14.075 1.00 0.00 C ATOM 0 H THR A 24 4.027 21.498 -12.845 1.00 0.00 H new ATOM 0 HA THR A 24 4.847 19.052 -11.468 1.00 0.00 H new ATOM 0 HB THR A 24 6.979 19.541 -12.678 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.119 21.301 -13.931 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.174 18.894 -14.925 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.412 17.946 -13.625 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.510 19.262 -14.414 1.00 0.00 H new ATOM 377 N MET A 25 6.440 19.941 -9.780 1.00 0.00 N ATOM 378 CA MET A 25 7.219 20.464 -8.664 1.00 0.00 C ATOM 379 C MET A 25 8.252 19.443 -8.194 1.00 0.00 C ATOM 380 O MET A 25 8.748 19.521 -7.071 1.00 0.00 O ATOM 381 CB MET A 25 6.304 20.848 -7.503 1.00 0.00 C ATOM 382 CG MET A 25 5.425 19.707 -7.016 1.00 0.00 C ATOM 383 SD MET A 25 3.956 20.286 -6.146 1.00 0.00 S ATOM 384 CE MET A 25 2.996 20.951 -7.505 1.00 0.00 C ATOM 0 H MET A 25 6.344 18.926 -9.786 1.00 0.00 H new ATOM 0 HA MET A 25 7.743 21.354 -9.011 1.00 0.00 H new ATOM 0 HB2 MET A 25 6.914 21.205 -6.673 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.669 21.678 -7.812 1.00 0.00 H new ATOM 0 HG2 MET A 25 5.122 19.098 -7.868 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.005 19.064 -6.354 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.781 22.003 -7.318 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.562 20.856 -8.431 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.060 20.399 -7.594 1.00 0.00 H new ATOM 394 N LYS A 26 8.580 18.493 -9.066 1.00 0.00 N ATOM 395 CA LYS A 26 9.561 17.466 -8.747 1.00 0.00 C ATOM 396 C LYS A 26 10.784 17.626 -9.638 1.00 0.00 C ATOM 397 O LYS A 26 11.459 16.654 -9.977 1.00 0.00 O ATOM 398 CB LYS A 26 8.953 16.074 -8.927 1.00 0.00 C ATOM 399 CG LYS A 26 8.035 15.661 -7.788 1.00 0.00 C ATOM 400 CD LYS A 26 6.682 16.346 -7.886 1.00 0.00 C ATOM 401 CE LYS A 26 5.617 15.402 -8.420 1.00 0.00 C ATOM 402 NZ LYS A 26 4.521 15.183 -7.436 1.00 0.00 N ATOM 0 H LYS A 26 8.178 18.415 -10.000 1.00 0.00 H new ATOM 0 HA LYS A 26 9.863 17.578 -7.706 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.393 16.049 -9.862 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.757 15.344 -9.018 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.898 14.580 -7.803 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.502 15.910 -6.835 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.386 16.711 -6.903 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.760 17.215 -8.539 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.201 15.809 -9.341 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.074 14.445 -8.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.816 14.534 -7.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.913 14.770 -6.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.067 16.092 -7.214 1.00 0.00 H new ATOM 416 N MET A 27 11.055 18.870 -10.013 1.00 0.00 N ATOM 417 CA MET A 27 12.188 19.192 -10.867 1.00 0.00 C ATOM 418 C MET A 27 13.010 20.323 -10.254 1.00 0.00 C ATOM 419 O MET A 27 14.178 20.139 -9.912 1.00 0.00 O ATOM 420 CB MET A 27 11.705 19.582 -12.271 1.00 0.00 C ATOM 421 CG MET A 27 10.444 20.438 -12.281 1.00 0.00 C ATOM 422 SD MET A 27 9.426 20.170 -13.746 1.00 0.00 S ATOM 423 CE MET A 27 8.994 18.442 -13.551 1.00 0.00 C ATOM 0 H MET A 27 10.499 19.678 -9.735 1.00 0.00 H new ATOM 0 HA MET A 27 12.821 18.309 -10.951 1.00 0.00 H new ATOM 0 HB2 MET A 27 12.502 20.123 -12.780 1.00 0.00 H new ATOM 0 HB3 MET A 27 11.519 18.674 -12.845 1.00 0.00 H new ATOM 0 HG2 MET A 27 9.855 20.219 -11.390 1.00 0.00 H new ATOM 0 HG3 MET A 27 10.724 21.490 -12.227 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.872 17.984 -14.533 1.00 0.00 H new ATOM 0 HE2 MET A 27 9.786 17.928 -13.007 1.00 0.00 H new ATOM 0 HE3 MET A 27 8.060 18.361 -12.995 1.00 0.00 H new ATOM 433 N ARG A 28 12.380 21.490 -10.107 1.00 0.00 N ATOM 434 CA ARG A 28 13.028 22.668 -9.522 1.00 0.00 C ATOM 435 C ARG A 28 14.499 22.776 -9.926 1.00 0.00 C ATOM 436 O ARG A 28 15.330 23.253 -9.154 1.00 0.00 O ATOM 437 CB ARG A 28 12.913 22.635 -7.994 1.00 0.00 C ATOM 438 CG ARG A 28 11.651 21.954 -7.480 1.00 0.00 C ATOM 439 CD ARG A 28 11.386 22.308 -6.026 1.00 0.00 C ATOM 440 NE ARG A 28 10.610 23.538 -5.898 1.00 0.00 N ATOM 441 CZ ARG A 28 10.291 24.089 -4.732 1.00 0.00 C ATOM 442 NH1 ARG A 28 10.674 23.519 -3.598 1.00 0.00 N ATOM 443 NH2 ARG A 28 9.586 25.211 -4.700 1.00 0.00 N ATOM 0 H ARG A 28 11.412 21.646 -10.388 1.00 0.00 H new ATOM 0 HA ARG A 28 12.511 23.545 -9.910 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.783 22.120 -7.586 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.941 23.657 -7.616 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.799 22.253 -8.091 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.751 20.873 -7.581 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.851 21.489 -5.545 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.335 22.421 -5.501 1.00 0.00 H new ATOM 0 HE ARG A 28 10.295 24.000 -6.751 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.215 22.655 -3.619 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.427 23.945 -2.705 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.288 25.651 -5.571 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.341 25.634 -3.805 1.00 0.00 H new ATOM 457 N TYR A 29 14.813 22.329 -11.137 1.00 0.00 N ATOM 458 CA TYR A 29 16.184 22.376 -11.635 1.00 0.00 C ATOM 459 C TYR A 29 16.510 23.750 -12.214 1.00 0.00 C ATOM 460 O TYR A 29 17.169 24.565 -11.569 1.00 0.00 O ATOM 461 CB TYR A 29 16.400 21.296 -12.697 1.00 0.00 C ATOM 462 CG TYR A 29 16.603 19.913 -12.122 1.00 0.00 C ATOM 463 CD1 TYR A 29 17.597 19.670 -11.184 1.00 0.00 C ATOM 464 CD2 TYR A 29 15.799 18.851 -12.517 1.00 0.00 C ATOM 465 CE1 TYR A 29 17.786 18.406 -10.656 1.00 0.00 C ATOM 466 CE2 TYR A 29 15.981 17.586 -11.994 1.00 0.00 C ATOM 467 CZ TYR A 29 16.975 17.368 -11.064 1.00 0.00 C ATOM 468 OH TYR A 29 17.159 16.109 -10.539 1.00 0.00 O ATOM 0 H TYR A 29 14.139 21.931 -11.791 1.00 0.00 H new ATOM 0 HA TYR A 29 16.854 22.190 -10.796 1.00 0.00 H new ATOM 0 HB2 TYR A 29 15.540 21.279 -13.366 1.00 0.00 H new ATOM 0 HB3 TYR A 29 17.268 21.560 -13.301 1.00 0.00 H new ATOM 0 HD1 TYR A 29 18.233 20.481 -10.861 1.00 0.00 H new ATOM 0 HD2 TYR A 29 15.019 19.018 -13.245 1.00 0.00 H new ATOM 0 HE1 TYR A 29 18.565 18.233 -9.928 1.00 0.00 H new ATOM 0 HE2 TYR A 29 15.348 16.771 -12.312 1.00 0.00 H new ATOM 0 HH TYR A 29 16.505 15.493 -10.930 1.00 0.00 H new ATOM 478 N GLU A 30 16.045 24.000 -13.433 1.00 0.00 N ATOM 479 CA GLU A 30 16.289 25.276 -14.097 1.00 0.00 C ATOM 480 C GLU A 30 15.239 25.538 -15.171 1.00 0.00 C ATOM 481 O GLU A 30 14.198 24.881 -15.207 1.00 0.00 O ATOM 482 CB GLU A 30 17.687 25.291 -14.718 1.00 0.00 C ATOM 483 CG GLU A 30 18.617 26.322 -14.098 1.00 0.00 C ATOM 484 CD GLU A 30 19.912 25.713 -13.598 1.00 0.00 C ATOM 485 OE1 GLU A 30 20.681 25.187 -14.431 1.00 0.00 O ATOM 486 OE2 GLU A 30 20.157 25.761 -12.375 1.00 0.00 O ATOM 0 H GLU A 30 15.497 23.337 -13.981 1.00 0.00 H new ATOM 0 HA GLU A 30 16.223 26.067 -13.349 1.00 0.00 H new ATOM 0 HB2 GLU A 30 18.133 24.302 -14.613 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.599 25.489 -15.786 1.00 0.00 H new ATOM 0 HG2 GLU A 30 18.843 27.092 -14.836 1.00 0.00 H new ATOM 0 HG3 GLU A 30 18.107 26.814 -13.269 1.00 0.00 H new ATOM 493 N HIS A 31 15.516 26.502 -16.044 1.00 0.00 N ATOM 494 CA HIS A 31 14.591 26.846 -17.117 1.00 0.00 C ATOM 495 C HIS A 31 14.511 25.723 -18.147 1.00 0.00 C ATOM 496 O HIS A 31 14.874 25.906 -19.308 1.00 0.00 O ATOM 497 CB HIS A 31 15.024 28.146 -17.797 1.00 0.00 C ATOM 498 CG HIS A 31 16.466 28.161 -18.197 1.00 0.00 C ATOM 499 ND1 HIS A 31 17.178 29.323 -18.406 1.00 0.00 N ATOM 500 CD2 HIS A 31 17.332 27.145 -18.426 1.00 0.00 C ATOM 501 CE1 HIS A 31 18.419 29.022 -18.747 1.00 0.00 C ATOM 502 NE2 HIS A 31 18.537 27.707 -18.765 1.00 0.00 N ATOM 0 H HIS A 31 16.372 27.057 -16.029 1.00 0.00 H new ATOM 0 HA HIS A 31 13.603 26.985 -16.679 1.00 0.00 H new ATOM 0 HB2 HIS A 31 14.408 28.306 -18.682 1.00 0.00 H new ATOM 0 HB3 HIS A 31 14.834 28.980 -17.122 1.00 0.00 H new ATOM 0 HD2 HIS A 31 17.115 26.089 -18.355 1.00 0.00 H new ATOM 0 HE1 HIS A 31 19.202 29.730 -18.972 1.00 0.00 H new ATOM 0 HE2 HIS A 31 19.387 27.192 -18.994 1.00 0.00 H new ATOM 511 N ILE A 32 14.032 24.562 -17.712 1.00 0.00 N ATOM 512 CA ILE A 32 13.902 23.410 -18.595 1.00 0.00 C ATOM 513 C ILE A 32 12.601 23.471 -19.388 1.00 0.00 C ATOM 514 O ILE A 32 11.633 24.101 -18.961 1.00 0.00 O ATOM 515 CB ILE A 32 13.942 22.089 -17.804 1.00 0.00 C ATOM 516 CG1 ILE A 32 15.074 22.114 -16.776 1.00 0.00 C ATOM 517 CG2 ILE A 32 14.101 20.907 -18.749 1.00 0.00 C ATOM 518 CD1 ILE A 32 14.945 21.044 -15.714 1.00 0.00 C ATOM 0 H ILE A 32 13.728 24.395 -16.753 1.00 0.00 H new ATOM 0 HA ILE A 32 14.748 23.441 -19.282 1.00 0.00 H new ATOM 0 HB ILE A 32 12.998 21.977 -17.271 1.00 0.00 H new ATOM 0 HG12 ILE A 32 16.026 21.990 -17.292 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.097 23.092 -16.295 1.00 0.00 H new ATOM 0 HG21 ILE A 32 14.127 19.982 -18.173 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.260 20.879 -19.442 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.030 21.012 -19.310 1.00 0.00 H new ATOM 0 HD11 ILE A 32 15.781 21.119 -15.018 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.009 21.180 -15.173 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.953 20.061 -16.185 1.00 0.00 H new ATOM 530 N ASP A 33 12.582 22.811 -20.541 1.00 0.00 N ATOM 531 CA ASP A 33 11.397 22.789 -21.390 1.00 0.00 C ATOM 532 C ASP A 33 10.341 21.849 -20.818 1.00 0.00 C ATOM 533 O ASP A 33 9.165 22.202 -20.722 1.00 0.00 O ATOM 534 CB ASP A 33 11.770 22.356 -22.809 1.00 0.00 C ATOM 535 CG ASP A 33 12.511 23.440 -23.566 1.00 0.00 C ATOM 536 OD1 ASP A 33 13.415 24.066 -22.973 1.00 0.00 O ATOM 537 OD2 ASP A 33 12.187 23.665 -24.751 1.00 0.00 O ATOM 0 H ASP A 33 13.374 22.284 -20.909 1.00 0.00 H new ATOM 0 HA ASP A 33 10.982 23.796 -21.424 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.390 21.461 -22.762 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.865 22.089 -23.355 1.00 0.00 H new ATOM 542 N HIS A 34 10.773 20.652 -20.438 1.00 0.00 N ATOM 543 CA HIS A 34 9.872 19.656 -19.870 1.00 0.00 C ATOM 544 C HIS A 34 8.690 19.391 -20.798 1.00 0.00 C ATOM 545 O HIS A 34 7.704 20.128 -20.790 1.00 0.00 O ATOM 546 CB HIS A 34 9.370 20.116 -18.500 1.00 0.00 C ATOM 547 CG HIS A 34 10.266 19.716 -17.368 1.00 0.00 C ATOM 548 ND1 HIS A 34 11.085 20.605 -16.703 1.00 0.00 N ATOM 549 CD2 HIS A 34 10.474 18.511 -16.787 1.00 0.00 C ATOM 550 CE1 HIS A 34 11.759 19.962 -15.765 1.00 0.00 C ATOM 551 NE2 HIS A 34 11.405 18.692 -15.796 1.00 0.00 N ATOM 0 H HIS A 34 11.744 20.347 -20.513 1.00 0.00 H new ATOM 0 HA HIS A 34 10.429 18.726 -19.753 1.00 0.00 H new ATOM 0 HB2 HIS A 34 9.268 21.201 -18.505 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.376 19.703 -18.329 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.996 17.580 -17.054 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.477 20.402 -15.089 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.766 17.962 -15.182 1.00 0.00 H new ATOM 560 N THR A 35 8.794 18.331 -21.594 1.00 0.00 N ATOM 561 CA THR A 35 7.731 17.964 -22.524 1.00 0.00 C ATOM 562 C THR A 35 6.649 17.158 -21.811 1.00 0.00 C ATOM 563 O THR A 35 6.944 16.356 -20.925 1.00 0.00 O ATOM 564 CB THR A 35 8.301 17.156 -23.690 1.00 0.00 C ATOM 565 OG1 THR A 35 9.551 17.679 -24.101 1.00 0.00 O ATOM 566 CG2 THR A 35 7.393 17.130 -24.902 1.00 0.00 C ATOM 0 H THR A 35 9.604 17.711 -21.614 1.00 0.00 H new ATOM 0 HA THR A 35 7.285 18.880 -22.913 1.00 0.00 H new ATOM 0 HB THR A 35 8.404 16.139 -23.312 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.676 17.513 -25.059 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.858 16.540 -25.692 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.436 16.684 -24.630 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.231 18.148 -25.257 1.00 0.00 H new ATOM 574 N PHE A 36 5.397 17.378 -22.197 1.00 0.00 N ATOM 575 CA PHE A 36 4.277 16.672 -21.584 1.00 0.00 C ATOM 576 C PHE A 36 3.490 15.871 -22.620 1.00 0.00 C ATOM 577 O PHE A 36 2.834 16.445 -23.488 1.00 0.00 O ATOM 578 CB PHE A 36 3.347 17.664 -20.881 1.00 0.00 C ATOM 579 CG PHE A 36 3.999 18.413 -19.754 1.00 0.00 C ATOM 580 CD1 PHE A 36 4.302 17.775 -18.562 1.00 0.00 C ATOM 581 CD2 PHE A 36 4.306 19.758 -19.886 1.00 0.00 C ATOM 582 CE1 PHE A 36 4.899 18.464 -17.523 1.00 0.00 C ATOM 583 CE2 PHE A 36 4.902 20.453 -18.851 1.00 0.00 C ATOM 584 CZ PHE A 36 5.200 19.805 -17.668 1.00 0.00 C ATOM 0 H PHE A 36 5.132 18.037 -22.929 1.00 0.00 H new ATOM 0 HA PHE A 36 4.684 15.975 -20.851 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.975 18.380 -21.613 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.482 17.125 -20.494 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.069 16.727 -18.443 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.077 20.269 -20.809 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.130 17.955 -16.599 1.00 0.00 H new ATOM 0 HE2 PHE A 36 5.134 21.501 -18.967 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.667 20.345 -16.858 1.00 0.00 H new ATOM 594 N GLU A 37 3.544 14.542 -22.518 1.00 0.00 N ATOM 595 CA GLU A 37 2.817 13.681 -23.447 1.00 0.00 C ATOM 596 C GLU A 37 1.402 13.433 -22.937 1.00 0.00 C ATOM 597 O GLU A 37 1.191 12.631 -22.028 1.00 0.00 O ATOM 598 CB GLU A 37 3.549 12.349 -23.631 1.00 0.00 C ATOM 599 CG GLU A 37 3.867 12.022 -25.082 1.00 0.00 C ATOM 600 CD GLU A 37 4.993 12.868 -25.641 1.00 0.00 C ATOM 601 OE1 GLU A 37 4.971 14.099 -25.430 1.00 0.00 O ATOM 602 OE2 GLU A 37 5.896 12.301 -26.290 1.00 0.00 O ATOM 0 H GLU A 37 4.079 14.043 -21.807 1.00 0.00 H new ATOM 0 HA GLU A 37 2.763 14.184 -24.412 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.478 12.373 -23.061 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.939 11.548 -23.213 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.136 10.969 -25.162 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.973 12.170 -25.687 1.00 0.00 H new ATOM 609 N ILE A 38 0.436 14.138 -23.517 1.00 0.00 N ATOM 610 CA ILE A 38 -0.957 14.003 -23.107 1.00 0.00 C ATOM 611 C ILE A 38 -1.627 12.801 -23.758 1.00 0.00 C ATOM 612 O ILE A 38 -1.429 12.529 -24.943 1.00 0.00 O ATOM 613 CB ILE A 38 -1.774 15.264 -23.448 1.00 0.00 C ATOM 614 CG1 ILE A 38 -0.944 16.529 -23.207 1.00 0.00 C ATOM 615 CG2 ILE A 38 -3.058 15.297 -22.632 1.00 0.00 C ATOM 616 CD1 ILE A 38 -0.196 16.528 -21.892 1.00 0.00 C ATOM 0 H ILE A 38 0.592 14.807 -24.271 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.939 13.862 -22.026 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.038 15.231 -24.505 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.228 16.643 -24.021 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.603 17.396 -23.238 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.626 16.193 -22.883 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.656 14.414 -22.858 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.814 15.308 -21.570 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.368 17.456 -21.794 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.906 16.446 -21.069 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.490 15.681 -21.864 1.00 0.00 H new ATOM 628 N GLN A 39 -2.431 12.092 -22.974 1.00 0.00 N ATOM 629 CA GLN A 39 -3.150 10.923 -23.468 1.00 0.00 C ATOM 630 C GLN A 39 -4.524 10.832 -22.813 1.00 0.00 C ATOM 631 O GLN A 39 -4.635 10.469 -21.643 1.00 0.00 O ATOM 632 CB GLN A 39 -2.348 9.650 -23.192 1.00 0.00 C ATOM 633 CG GLN A 39 -2.843 8.441 -23.969 1.00 0.00 C ATOM 634 CD GLN A 39 -2.069 7.180 -23.643 1.00 0.00 C ATOM 635 OE1 GLN A 39 -2.556 6.308 -22.924 1.00 0.00 O ATOM 636 NE2 GLN A 39 -0.855 7.077 -24.172 1.00 0.00 N ATOM 0 H GLN A 39 -2.602 12.307 -21.992 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.282 11.026 -24.545 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.302 9.828 -23.441 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.389 9.428 -22.126 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.899 8.281 -23.751 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.766 8.644 -25.037 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.491 7.825 -24.763 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.287 6.250 -23.988 1.00 0.00 H new ATOM 645 N TYR A 40 -5.569 11.177 -23.566 1.00 0.00 N ATOM 646 CA TYR A 40 -6.930 11.143 -23.036 1.00 0.00 C ATOM 647 C TYR A 40 -7.797 10.105 -23.742 1.00 0.00 C ATOM 648 O TYR A 40 -8.168 10.275 -24.904 1.00 0.00 O ATOM 649 CB TYR A 40 -7.587 12.524 -23.139 1.00 0.00 C ATOM 650 CG TYR A 40 -7.664 13.065 -24.549 1.00 0.00 C ATOM 651 CD1 TYR A 40 -6.524 13.500 -25.213 1.00 0.00 C ATOM 652 CD2 TYR A 40 -8.880 13.143 -25.213 1.00 0.00 C ATOM 653 CE1 TYR A 40 -6.595 13.995 -26.502 1.00 0.00 C ATOM 654 CE2 TYR A 40 -8.960 13.637 -26.501 1.00 0.00 C ATOM 655 CZ TYR A 40 -7.815 14.061 -27.141 1.00 0.00 C ATOM 656 OH TYR A 40 -7.890 14.553 -28.424 1.00 0.00 O ATOM 0 H TYR A 40 -5.499 11.481 -24.537 1.00 0.00 H new ATOM 0 HA TYR A 40 -6.853 10.856 -21.987 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -8.595 12.467 -22.727 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.029 13.227 -22.521 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.567 13.451 -24.715 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -9.779 12.812 -24.715 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -5.700 14.328 -27.006 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.914 13.691 -27.004 1.00 0.00 H new ATOM 0 HH TYR A 40 -6.995 14.809 -28.729 1.00 0.00 H new ATOM 666 N ARG A 41 -8.134 9.040 -23.018 1.00 0.00 N ATOM 667 CA ARG A 41 -8.982 7.981 -23.558 1.00 0.00 C ATOM 668 C ARG A 41 -10.390 8.097 -22.981 1.00 0.00 C ATOM 669 O ARG A 41 -10.781 9.162 -22.507 1.00 0.00 O ATOM 670 CB ARG A 41 -8.384 6.597 -23.259 1.00 0.00 C ATOM 671 CG ARG A 41 -8.590 6.108 -21.830 1.00 0.00 C ATOM 672 CD ARG A 41 -8.650 4.590 -21.769 1.00 0.00 C ATOM 673 NE ARG A 41 -9.677 4.116 -20.846 1.00 0.00 N ATOM 674 CZ ARG A 41 -9.856 2.835 -20.542 1.00 0.00 C ATOM 675 NH1 ARG A 41 -9.085 1.907 -21.093 1.00 0.00 N ATOM 676 NH2 ARG A 41 -10.807 2.479 -19.689 1.00 0.00 N ATOM 0 H ARG A 41 -7.832 8.888 -22.056 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.036 8.095 -24.641 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.823 5.871 -23.944 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.315 6.626 -23.468 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.777 6.468 -21.200 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.513 6.527 -21.429 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.849 4.196 -22.765 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.679 4.202 -21.461 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.290 4.805 -20.411 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.354 2.176 -21.751 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.223 0.924 -20.859 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.403 3.189 -19.264 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.942 1.495 -19.458 1.00 0.00 H new ATOM 690 N LYS A 42 -11.149 7.007 -23.008 1.00 0.00 N ATOM 691 CA LYS A 42 -12.507 7.027 -22.471 1.00 0.00 C ATOM 692 C LYS A 42 -12.926 5.655 -21.959 1.00 0.00 C ATOM 693 O LYS A 42 -12.251 4.654 -22.195 1.00 0.00 O ATOM 694 CB LYS A 42 -13.514 7.523 -23.520 1.00 0.00 C ATOM 695 CG LYS A 42 -12.887 8.291 -24.672 1.00 0.00 C ATOM 696 CD LYS A 42 -13.908 8.610 -25.751 1.00 0.00 C ATOM 697 CE LYS A 42 -14.061 7.454 -26.726 1.00 0.00 C ATOM 698 NZ LYS A 42 -14.556 7.908 -28.055 1.00 0.00 N ATOM 0 H LYS A 42 -10.853 6.109 -23.390 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.506 7.722 -21.632 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.055 6.666 -23.921 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.248 8.162 -23.029 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.450 9.217 -24.298 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.074 7.705 -25.101 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.871 8.829 -25.290 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.602 9.506 -26.291 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.101 6.953 -26.848 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.753 6.720 -26.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.646 7.089 -28.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.484 8.363 -27.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.883 8.589 -28.462 1.00 0.00 H new ATOM 712 N ASP A 43 -14.048 5.628 -21.250 1.00 0.00 N ATOM 713 CA ASP A 43 -14.580 4.397 -20.687 1.00 0.00 C ATOM 714 C ASP A 43 -15.290 3.557 -21.753 1.00 0.00 C ATOM 715 O ASP A 43 -15.706 2.430 -21.484 1.00 0.00 O ATOM 716 CB ASP A 43 -15.536 4.734 -19.534 1.00 0.00 C ATOM 717 CG ASP A 43 -16.370 3.547 -19.084 1.00 0.00 C ATOM 718 OD1 ASP A 43 -15.782 2.569 -18.576 1.00 0.00 O ATOM 719 OD2 ASP A 43 -17.608 3.597 -19.240 1.00 0.00 O ATOM 0 H ASP A 43 -14.611 6.455 -21.051 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.751 3.801 -20.305 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -14.958 5.106 -18.688 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -16.201 5.540 -19.845 1.00 0.00 H new ATOM 724 N THR A 44 -15.423 4.103 -22.960 1.00 0.00 N ATOM 725 CA THR A 44 -16.079 3.389 -24.050 1.00 0.00 C ATOM 726 C THR A 44 -15.046 2.799 -25.004 1.00 0.00 C ATOM 727 O THR A 44 -15.275 1.757 -25.619 1.00 0.00 O ATOM 728 CB THR A 44 -17.021 4.326 -24.808 1.00 0.00 C ATOM 729 OG1 THR A 44 -17.571 5.296 -23.934 1.00 0.00 O ATOM 730 CG2 THR A 44 -18.171 3.607 -25.479 1.00 0.00 C ATOM 0 H THR A 44 -15.086 5.034 -23.206 1.00 0.00 H new ATOM 0 HA THR A 44 -16.662 2.573 -23.623 1.00 0.00 H new ATOM 0 HB THR A 44 -16.407 4.791 -25.579 1.00 0.00 H new ATOM 0 HG1 THR A 44 -18.169 5.887 -24.437 1.00 0.00 H new ATOM 0 HG21 THR A 44 -18.799 4.331 -25.998 1.00 0.00 H new ATOM 0 HG22 THR A 44 -17.780 2.885 -26.196 1.00 0.00 H new ATOM 0 HG23 THR A 44 -18.763 3.086 -24.727 1.00 0.00 H new ATOM 738 N ALA A 45 -13.905 3.471 -25.116 1.00 0.00 N ATOM 739 CA ALA A 45 -12.828 3.016 -25.987 1.00 0.00 C ATOM 740 C ALA A 45 -11.651 2.498 -25.166 1.00 0.00 C ATOM 741 O ALA A 45 -11.810 2.137 -24.000 1.00 0.00 O ATOM 742 CB ALA A 45 -12.382 4.146 -26.904 1.00 0.00 C ATOM 0 H ALA A 45 -13.702 4.335 -24.613 1.00 0.00 H new ATOM 0 HA ALA A 45 -13.202 2.195 -26.599 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.577 3.794 -27.550 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.223 4.471 -27.516 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.026 4.983 -26.303 1.00 0.00 H new ATOM 748 N THR A 46 -10.470 2.463 -25.776 1.00 0.00 N ATOM 749 CA THR A 46 -9.274 1.989 -25.090 1.00 0.00 C ATOM 750 C THR A 46 -8.145 3.011 -25.189 1.00 0.00 C ATOM 751 O THR A 46 -8.136 3.855 -26.086 1.00 0.00 O ATOM 752 CB THR A 46 -8.823 0.650 -25.674 1.00 0.00 C ATOM 753 OG1 THR A 46 -9.293 0.497 -27.001 1.00 0.00 O ATOM 754 CG2 THR A 46 -9.305 -0.542 -24.876 1.00 0.00 C ATOM 0 H THR A 46 -10.316 2.756 -26.741 1.00 0.00 H new ATOM 0 HA THR A 46 -9.520 1.852 -24.037 1.00 0.00 H new ATOM 0 HB THR A 46 -7.734 0.673 -25.642 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.992 -0.365 -27.357 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.951 -1.460 -25.344 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.917 -0.480 -23.859 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.395 -0.545 -24.849 1.00 0.00 H new ATOM 762 N TRP A 47 -7.195 2.928 -24.262 1.00 0.00 N ATOM 763 CA TRP A 47 -6.058 3.844 -24.242 1.00 0.00 C ATOM 764 C TRP A 47 -5.426 3.963 -25.627 1.00 0.00 C ATOM 765 O TRP A 47 -4.940 5.028 -26.009 1.00 0.00 O ATOM 766 CB TRP A 47 -5.008 3.366 -23.236 1.00 0.00 C ATOM 767 CG TRP A 47 -5.342 3.702 -21.815 1.00 0.00 C ATOM 768 CD1 TRP A 47 -5.651 2.823 -20.817 1.00 0.00 C ATOM 769 CD2 TRP A 47 -5.399 5.009 -21.231 1.00 0.00 C ATOM 770 NE1 TRP A 47 -5.899 3.503 -19.649 1.00 0.00 N ATOM 771 CE2 TRP A 47 -5.751 4.845 -19.877 1.00 0.00 C ATOM 772 CE3 TRP A 47 -5.188 6.301 -21.720 1.00 0.00 C ATOM 773 CZ2 TRP A 47 -5.896 5.924 -19.009 1.00 0.00 C ATOM 774 CZ3 TRP A 47 -5.332 7.372 -20.856 1.00 0.00 C ATOM 775 CH2 TRP A 47 -5.683 7.177 -19.514 1.00 0.00 C ATOM 0 H TRP A 47 -7.190 2.235 -23.514 1.00 0.00 H new ATOM 0 HA TRP A 47 -6.424 4.826 -23.942 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.894 2.286 -23.328 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -4.046 3.811 -23.489 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.694 1.750 -20.929 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.152 3.077 -18.757 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -4.918 6.461 -22.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -6.167 5.777 -17.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.171 8.375 -21.222 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.788 8.034 -18.865 1.00 0.00 H new ATOM 786 N LYS A 48 -5.434 2.862 -26.371 1.00 0.00 N ATOM 787 CA LYS A 48 -4.859 2.837 -27.711 1.00 0.00 C ATOM 788 C LYS A 48 -5.629 3.754 -28.656 1.00 0.00 C ATOM 789 O LYS A 48 -5.058 4.321 -29.588 1.00 0.00 O ATOM 790 CB LYS A 48 -4.856 1.410 -28.261 1.00 0.00 C ATOM 791 CG LYS A 48 -4.103 0.420 -27.386 1.00 0.00 C ATOM 792 CD LYS A 48 -2.608 0.696 -27.390 1.00 0.00 C ATOM 793 CE LYS A 48 -1.814 -0.537 -26.991 1.00 0.00 C ATOM 794 NZ LYS A 48 -1.317 -0.450 -25.589 1.00 0.00 N ATOM 0 H LYS A 48 -5.833 1.974 -26.068 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.833 3.197 -27.642 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.886 1.071 -28.374 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.411 1.414 -29.256 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.481 0.474 -26.365 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.288 -0.594 -27.741 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.300 1.023 -28.383 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.386 1.512 -26.702 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.440 -1.423 -27.100 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.969 -0.659 -27.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.781 -1.310 -25.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.699 0.380 -25.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.124 -0.359 -24.940 1.00 0.00 H new ATOM 808 N ASP A 49 -6.927 3.897 -28.411 1.00 0.00 N ATOM 809 CA ASP A 49 -7.773 4.748 -29.240 1.00 0.00 C ATOM 810 C ASP A 49 -7.614 6.216 -28.853 1.00 0.00 C ATOM 811 O ASP A 49 -7.910 7.112 -29.643 1.00 0.00 O ATOM 812 CB ASP A 49 -9.239 4.329 -29.109 1.00 0.00 C ATOM 813 CG ASP A 49 -10.101 4.881 -30.228 1.00 0.00 C ATOM 814 OD1 ASP A 49 -9.634 5.791 -30.944 1.00 0.00 O ATOM 815 OD2 ASP A 49 -11.244 4.402 -30.387 1.00 0.00 O ATOM 0 H ASP A 49 -7.416 3.434 -27.645 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.460 4.629 -30.277 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.304 3.241 -29.107 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.628 4.673 -28.151 1.00 0.00 H new ATOM 820 N SER A 50 -7.144 6.453 -27.632 1.00 0.00 N ATOM 821 CA SER A 50 -6.943 7.808 -27.137 1.00 0.00 C ATOM 822 C SER A 50 -6.098 8.629 -28.104 1.00 0.00 C ATOM 823 O SER A 50 -5.645 8.126 -29.132 1.00 0.00 O ATOM 824 CB SER A 50 -6.266 7.769 -25.767 1.00 0.00 C ATOM 825 OG SER A 50 -4.856 7.715 -25.895 1.00 0.00 O ATOM 0 H SER A 50 -6.895 5.721 -26.967 1.00 0.00 H new ATOM 0 HA SER A 50 -7.920 8.282 -27.048 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.548 8.652 -25.193 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.617 6.901 -25.209 1.00 0.00 H new ATOM 0 HG SER A 50 -4.576 6.787 -26.042 1.00 0.00 H new ATOM 831 N LYS A 51 -5.885 9.895 -27.762 1.00 0.00 N ATOM 832 CA LYS A 51 -5.089 10.791 -28.593 1.00 0.00 C ATOM 833 C LYS A 51 -3.804 11.189 -27.875 1.00 0.00 C ATOM 834 O LYS A 51 -3.827 11.558 -26.701 1.00 0.00 O ATOM 835 CB LYS A 51 -5.895 12.042 -28.949 1.00 0.00 C ATOM 836 CG LYS A 51 -6.597 11.953 -30.294 1.00 0.00 C ATOM 837 CD LYS A 51 -6.415 13.227 -31.103 1.00 0.00 C ATOM 838 CE LYS A 51 -6.475 12.950 -32.597 1.00 0.00 C ATOM 839 NZ LYS A 51 -6.250 14.182 -33.402 1.00 0.00 N ATOM 0 H LYS A 51 -6.253 10.325 -26.913 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.828 10.264 -29.511 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.639 12.218 -28.172 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.228 12.904 -28.953 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.204 11.105 -30.855 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.660 11.768 -30.139 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.190 13.945 -30.833 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.457 13.684 -30.854 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.724 12.204 -32.858 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.447 12.525 -32.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.299 13.949 -34.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.981 14.885 -33.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.312 14.574 -33.182 1.00 0.00 H new ATOM 853 N THR A 52 -2.683 11.112 -28.585 1.00 0.00 N ATOM 854 CA THR A 52 -1.391 11.467 -28.010 1.00 0.00 C ATOM 855 C THR A 52 -1.039 12.918 -28.315 1.00 0.00 C ATOM 856 O THR A 52 -0.477 13.222 -29.367 1.00 0.00 O ATOM 857 CB THR A 52 -0.295 10.547 -28.551 1.00 0.00 C ATOM 858 OG1 THR A 52 -0.573 9.195 -28.233 1.00 0.00 O ATOM 859 CG2 THR A 52 1.080 10.875 -28.009 1.00 0.00 C ATOM 0 H THR A 52 -2.643 10.807 -29.558 1.00 0.00 H new ATOM 0 HA THR A 52 -1.461 11.345 -26.929 1.00 0.00 H new ATOM 0 HB THR A 52 -0.290 10.704 -29.630 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.138 8.622 -28.589 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.811 10.186 -28.432 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.344 11.897 -28.281 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.076 10.778 -26.923 1.00 0.00 H new ATOM 867 N GLU A 53 -1.367 13.811 -27.387 1.00 0.00 N ATOM 868 CA GLU A 53 -1.077 15.227 -27.562 1.00 0.00 C ATOM 869 C GLU A 53 0.271 15.580 -26.950 1.00 0.00 C ATOM 870 O GLU A 53 0.607 15.125 -25.857 1.00 0.00 O ATOM 871 CB GLU A 53 -2.178 16.083 -26.935 1.00 0.00 C ATOM 872 CG GLU A 53 -2.745 17.124 -27.888 1.00 0.00 C ATOM 873 CD GLU A 53 -1.666 17.955 -28.554 1.00 0.00 C ATOM 874 OE1 GLU A 53 -0.674 18.295 -27.874 1.00 0.00 O ATOM 875 OE2 GLU A 53 -1.812 18.267 -29.754 1.00 0.00 O ATOM 0 H GLU A 53 -1.832 13.579 -26.509 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.039 15.434 -28.631 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.985 15.434 -26.595 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.780 16.586 -26.053 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.338 16.625 -28.654 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.420 17.783 -27.341 1.00 0.00 H new ATOM 882 N THR A 54 1.043 16.387 -27.666 1.00 0.00 N ATOM 883 CA THR A 54 2.357 16.796 -27.200 1.00 0.00 C ATOM 884 C THR A 54 2.304 18.177 -26.558 1.00 0.00 C ATOM 885 O THR A 54 2.231 19.194 -27.247 1.00 0.00 O ATOM 886 CB THR A 54 3.343 16.793 -28.364 1.00 0.00 C ATOM 887 OG1 THR A 54 2.677 17.062 -29.584 1.00 0.00 O ATOM 888 CG2 THR A 54 4.076 15.479 -28.520 1.00 0.00 C ATOM 0 H THR A 54 0.779 16.771 -28.573 1.00 0.00 H new ATOM 0 HA THR A 54 2.691 16.085 -26.444 1.00 0.00 H new ATOM 0 HB THR A 54 4.070 17.571 -28.132 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.326 17.058 -30.319 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.762 15.543 -29.365 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.639 15.266 -27.611 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.356 14.680 -28.696 1.00 0.00 H new ATOM 896 N LEU A 55 2.340 18.201 -25.232 1.00 0.00 N ATOM 897 CA LEU A 55 2.294 19.451 -24.486 1.00 0.00 C ATOM 898 C LEU A 55 3.700 19.902 -24.100 1.00 0.00 C ATOM 899 O LEU A 55 4.211 19.538 -23.041 1.00 0.00 O ATOM 900 CB LEU A 55 1.432 19.282 -23.231 1.00 0.00 C ATOM 901 CG LEU A 55 -0.044 19.681 -23.375 1.00 0.00 C ATOM 902 CD1 LEU A 55 -0.229 21.155 -23.047 1.00 0.00 C ATOM 903 CD2 LEU A 55 -0.570 19.371 -24.770 1.00 0.00 C ATOM 0 H LEU A 55 2.401 17.366 -24.650 1.00 0.00 H new ATOM 0 HA LEU A 55 1.850 20.216 -25.123 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.478 18.238 -22.920 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.872 19.874 -22.428 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.622 19.090 -22.665 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.280 21.422 -23.154 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.091 21.343 -22.022 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.370 21.758 -23.730 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.617 19.666 -24.838 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.011 19.923 -25.509 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.481 18.302 -24.963 1.00 0.00 H new ATOM 915 N GLN A 56 4.322 20.693 -24.971 1.00 0.00 N ATOM 916 CA GLN A 56 5.672 21.191 -24.727 1.00 0.00 C ATOM 917 C GLN A 56 5.649 22.422 -23.826 1.00 0.00 C ATOM 918 O GLN A 56 4.956 23.400 -24.109 1.00 0.00 O ATOM 919 CB GLN A 56 6.359 21.528 -26.052 1.00 0.00 C ATOM 920 CG GLN A 56 7.778 20.991 -26.158 1.00 0.00 C ATOM 921 CD GLN A 56 8.095 20.451 -27.539 1.00 0.00 C ATOM 922 OE1 GLN A 56 7.276 20.532 -28.454 1.00 0.00 O ATOM 923 NE2 GLN A 56 9.292 19.895 -27.697 1.00 0.00 N ATOM 0 H GLN A 56 3.912 21.003 -25.852 1.00 0.00 H new ATOM 0 HA GLN A 56 6.234 20.406 -24.221 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.765 21.125 -26.872 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.379 22.611 -26.176 1.00 0.00 H new ATOM 0 HG2 GLN A 56 8.483 21.785 -25.912 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.919 20.200 -25.421 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.941 19.849 -26.911 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.562 19.515 -28.604 1.00 0.00 H new ATOM 932 N ASN A 57 6.416 22.367 -22.739 1.00 0.00 N ATOM 933 CA ASN A 57 6.497 23.476 -21.787 1.00 0.00 C ATOM 934 C ASN A 57 5.117 24.059 -21.489 1.00 0.00 C ATOM 935 O ASN A 57 4.975 25.261 -21.262 1.00 0.00 O ATOM 936 CB ASN A 57 7.433 24.584 -22.299 1.00 0.00 C ATOM 937 CG ASN A 57 7.649 24.546 -23.803 1.00 0.00 C ATOM 938 OD1 ASN A 57 6.806 25.001 -24.575 1.00 0.00 O ATOM 939 ND2 ASN A 57 8.785 24.000 -24.223 1.00 0.00 N ATOM 0 H ASN A 57 6.993 21.563 -22.494 1.00 0.00 H new ATOM 0 HA ASN A 57 6.908 23.072 -20.862 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.020 25.554 -22.023 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.397 24.494 -21.799 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.986 23.946 -25.221 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.456 23.635 -23.547 1.00 0.00 H new ATOM 946 N ALA A 58 4.106 23.197 -21.479 1.00 0.00 N ATOM 947 CA ALA A 58 2.739 23.621 -21.195 1.00 0.00 C ATOM 948 C ALA A 58 2.289 23.091 -19.839 1.00 0.00 C ATOM 949 O ALA A 58 2.843 22.115 -19.334 1.00 0.00 O ATOM 950 CB ALA A 58 1.797 23.148 -22.292 1.00 0.00 C ATOM 0 H ALA A 58 4.207 22.199 -21.664 1.00 0.00 H new ATOM 0 HA ALA A 58 2.713 24.710 -21.165 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.782 23.473 -22.065 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.108 23.572 -23.247 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.825 22.060 -22.352 1.00 0.00 H new ATOM 956 N HIS A 59 1.292 23.738 -19.245 1.00 0.00 N ATOM 957 CA HIS A 59 0.795 23.314 -17.942 1.00 0.00 C ATOM 958 C HIS A 59 -0.705 23.039 -17.973 1.00 0.00 C ATOM 959 O HIS A 59 -1.388 23.153 -16.956 1.00 0.00 O ATOM 960 CB HIS A 59 1.116 24.369 -16.880 1.00 0.00 C ATOM 961 CG HIS A 59 2.365 24.073 -16.108 1.00 0.00 C ATOM 962 ND1 HIS A 59 2.849 24.895 -15.110 1.00 0.00 N ATOM 963 CD2 HIS A 59 3.231 23.036 -16.190 1.00 0.00 C ATOM 964 CE1 HIS A 59 3.959 24.375 -14.614 1.00 0.00 C ATOM 965 NE2 HIS A 59 4.211 23.247 -15.252 1.00 0.00 N ATOM 0 H HIS A 59 0.817 24.549 -19.640 1.00 0.00 H new ATOM 0 HA HIS A 59 1.299 22.382 -17.685 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.218 25.341 -17.363 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.278 24.443 -16.187 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.164 22.198 -16.868 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.557 24.801 -13.822 1.00 0.00 H new ATOM 0 HE2 HIS A 59 5.005 22.632 -15.076 1.00 0.00 H new ATOM 974 N SER A 60 -1.209 22.664 -19.144 1.00 0.00 N ATOM 975 CA SER A 60 -2.627 22.356 -19.308 1.00 0.00 C ATOM 976 C SER A 60 -2.987 22.241 -20.782 1.00 0.00 C ATOM 977 O SER A 60 -2.236 22.679 -21.652 1.00 0.00 O ATOM 978 CB SER A 60 -3.501 23.423 -18.645 1.00 0.00 C ATOM 979 OG SER A 60 -3.014 24.726 -18.915 1.00 0.00 O ATOM 0 H SER A 60 -0.656 22.566 -19.996 1.00 0.00 H new ATOM 0 HA SER A 60 -2.815 21.399 -18.822 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.526 23.333 -19.006 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.527 23.258 -17.568 1.00 0.00 H new ATOM 0 HG SER A 60 -3.592 25.388 -18.481 1.00 0.00 H new ATOM 985 N MET A 61 -4.141 21.647 -21.052 1.00 0.00 N ATOM 986 CA MET A 61 -4.608 21.467 -22.418 1.00 0.00 C ATOM 987 C MET A 61 -6.099 21.771 -22.518 1.00 0.00 C ATOM 988 O MET A 61 -6.790 21.866 -21.504 1.00 0.00 O ATOM 989 CB MET A 61 -4.325 20.037 -22.878 1.00 0.00 C ATOM 990 CG MET A 61 -4.598 19.796 -24.351 1.00 0.00 C ATOM 991 SD MET A 61 -4.121 18.139 -24.873 1.00 0.00 S ATOM 992 CE MET A 61 -5.634 17.236 -24.556 1.00 0.00 C ATOM 0 H MET A 61 -4.773 21.281 -20.340 1.00 0.00 H new ATOM 0 HA MET A 61 -4.074 22.161 -23.067 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.282 19.799 -22.669 1.00 0.00 H new ATOM 0 HB3 MET A 61 -4.933 19.350 -22.289 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.659 19.946 -24.551 1.00 0.00 H new ATOM 0 HG3 MET A 61 -4.055 20.532 -24.944 1.00 0.00 H new ATOM 0 HE1 MET A 61 -5.394 16.206 -24.290 1.00 0.00 H new ATOM 0 HE2 MET A 61 -6.173 17.707 -23.734 1.00 0.00 H new ATOM 0 HE3 MET A 61 -6.257 17.244 -25.450 1.00 0.00 H new ATOM 1002 N ALA A 62 -6.591 21.922 -23.742 1.00 0.00 N ATOM 1003 CA ALA A 62 -8.000 22.216 -23.964 1.00 0.00 C ATOM 1004 C ALA A 62 -8.697 21.044 -24.641 1.00 0.00 C ATOM 1005 O ALA A 62 -9.014 21.104 -25.828 1.00 0.00 O ATOM 1006 CB ALA A 62 -8.151 23.477 -24.801 1.00 0.00 C ATOM 0 H ALA A 62 -6.036 21.846 -24.594 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.472 22.380 -22.995 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.209 23.684 -24.959 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.690 24.317 -24.280 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.661 23.335 -25.764 1.00 0.00 H new ATOM 1012 N LEU A 63 -8.926 19.976 -23.873 1.00 0.00 N ATOM 1013 CA LEU A 63 -9.582 18.767 -24.381 1.00 0.00 C ATOM 1014 C LEU A 63 -10.695 19.107 -25.373 1.00 0.00 C ATOM 1015 O LEU A 63 -11.820 19.409 -24.978 1.00 0.00 O ATOM 1016 CB LEU A 63 -10.156 17.951 -23.221 1.00 0.00 C ATOM 1017 CG LEU A 63 -9.127 17.438 -22.213 1.00 0.00 C ATOM 1018 CD1 LEU A 63 -9.796 17.129 -20.883 1.00 0.00 C ATOM 1019 CD2 LEU A 63 -8.417 16.206 -22.755 1.00 0.00 C ATOM 0 H LEU A 63 -8.664 19.924 -22.888 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.829 18.177 -24.904 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.885 18.565 -22.692 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.696 17.098 -23.631 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.383 18.218 -22.051 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.050 16.765 -20.176 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.258 18.034 -20.489 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.560 16.366 -21.029 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.688 15.855 -22.024 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.147 15.420 -22.946 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.906 16.460 -23.684 1.00 0.00 H new ATOM 1031 N PRO A 64 -10.383 19.077 -26.679 1.00 0.00 N ATOM 1032 CA PRO A 64 -11.342 19.396 -27.728 1.00 0.00 C ATOM 1033 C PRO A 64 -12.111 18.178 -28.236 1.00 0.00 C ATOM 1034 O PRO A 64 -13.334 18.220 -28.373 1.00 0.00 O ATOM 1035 CB PRO A 64 -10.440 19.951 -28.826 1.00 0.00 C ATOM 1036 CG PRO A 64 -9.155 19.197 -28.682 1.00 0.00 C ATOM 1037 CD PRO A 64 -9.061 18.745 -27.241 1.00 0.00 C ATOM 0 HA PRO A 64 -12.120 20.076 -27.382 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.879 19.800 -29.812 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -10.285 21.023 -28.706 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.134 18.341 -29.356 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.306 19.829 -28.943 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.853 17.677 -27.170 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.260 19.262 -26.712 1.00 0.00 H new ATOM 1045 N ALA A 65 -11.389 17.104 -28.537 1.00 0.00 N ATOM 1046 CA ALA A 65 -12.005 15.889 -29.054 1.00 0.00 C ATOM 1047 C ALA A 65 -12.561 15.004 -27.942 1.00 0.00 C ATOM 1048 O ALA A 65 -12.023 13.931 -27.667 1.00 0.00 O ATOM 1049 CB ALA A 65 -11.001 15.112 -29.891 1.00 0.00 C ATOM 0 H ALA A 65 -10.376 17.051 -28.431 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.846 16.190 -29.678 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.470 14.205 -30.273 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.669 15.729 -30.726 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.143 14.844 -29.274 1.00 0.00 H new ATOM 1055 N LEU A 66 -13.655 15.440 -27.324 1.00 0.00 N ATOM 1056 CA LEU A 66 -14.291 14.661 -26.268 1.00 0.00 C ATOM 1057 C LEU A 66 -15.705 14.272 -26.684 1.00 0.00 C ATOM 1058 O LEU A 66 -16.093 14.469 -27.836 1.00 0.00 O ATOM 1059 CB LEU A 66 -14.319 15.436 -24.943 1.00 0.00 C ATOM 1060 CG LEU A 66 -12.974 16.018 -24.471 1.00 0.00 C ATOM 1061 CD1 LEU A 66 -12.968 16.177 -22.955 1.00 0.00 C ATOM 1062 CD2 LEU A 66 -11.806 15.145 -24.914 1.00 0.00 C ATOM 0 H LEU A 66 -14.117 16.324 -27.535 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.703 13.756 -26.113 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -15.032 16.255 -25.039 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.698 14.773 -24.165 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.854 16.999 -24.931 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.011 16.589 -22.636 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.771 16.851 -22.657 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -13.118 15.204 -22.487 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.871 15.583 -24.565 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.918 14.146 -24.492 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.792 15.080 -26.002 1.00 0.00 H new ATOM 1074 N GLU A 67 -16.475 13.716 -25.754 1.00 0.00 N ATOM 1075 CA GLU A 67 -17.841 13.303 -26.055 1.00 0.00 C ATOM 1076 C GLU A 67 -18.683 13.185 -24.785 1.00 0.00 C ATOM 1077 O GLU A 67 -18.255 12.578 -23.804 1.00 0.00 O ATOM 1078 CB GLU A 67 -17.833 11.965 -26.795 1.00 0.00 C ATOM 1079 CG GLU A 67 -17.798 12.112 -28.308 1.00 0.00 C ATOM 1080 CD GLU A 67 -18.441 10.940 -29.023 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -18.974 10.044 -28.336 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -18.411 10.919 -30.272 1.00 0.00 O ATOM 0 H GLU A 67 -16.180 13.542 -24.793 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.288 14.069 -26.688 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.967 11.386 -26.474 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.719 11.397 -26.513 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.310 13.031 -28.592 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.763 12.209 -28.636 1.00 0.00 H new ATOM 1089 N PRO A 68 -19.902 13.759 -24.787 1.00 0.00 N ATOM 1090 CA PRO A 68 -20.799 13.702 -23.629 1.00 0.00 C ATOM 1091 C PRO A 68 -21.145 12.268 -23.245 1.00 0.00 C ATOM 1092 O PRO A 68 -21.039 11.354 -24.063 1.00 0.00 O ATOM 1093 CB PRO A 68 -22.058 14.441 -24.098 1.00 0.00 C ATOM 1094 CG PRO A 68 -21.617 15.264 -25.258 1.00 0.00 C ATOM 1095 CD PRO A 68 -20.503 14.498 -25.911 1.00 0.00 C ATOM 0 HA PRO A 68 -20.341 14.143 -22.743 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -22.841 13.740 -24.387 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -22.467 15.066 -23.304 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -22.439 15.427 -25.955 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -21.276 16.246 -24.932 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -20.875 13.825 -26.683 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -19.782 15.162 -26.388 1.00 0.00 H new ATOM 1103 N SER A 69 -21.561 12.078 -21.999 1.00 0.00 N ATOM 1104 CA SER A 69 -21.924 10.754 -21.508 1.00 0.00 C ATOM 1105 C SER A 69 -20.802 9.754 -21.763 1.00 0.00 C ATOM 1106 O SER A 69 -21.047 8.626 -22.191 1.00 0.00 O ATOM 1107 CB SER A 69 -23.212 10.275 -22.181 1.00 0.00 C ATOM 1108 OG SER A 69 -22.955 9.798 -23.490 1.00 0.00 O ATOM 0 H SER A 69 -21.655 12.824 -21.310 1.00 0.00 H new ATOM 0 HA SER A 69 -22.087 10.823 -20.433 1.00 0.00 H new ATOM 0 HB2 SER A 69 -23.665 9.483 -21.584 1.00 0.00 H new ATOM 0 HB3 SER A 69 -23.930 11.094 -22.223 1.00 0.00 H new ATOM 0 HG SER A 69 -22.089 10.139 -23.798 1.00 0.00 H new ATOM 1114 N THR A 70 -19.569 10.174 -21.496 1.00 0.00 N ATOM 1115 CA THR A 70 -18.408 9.316 -21.694 1.00 0.00 C ATOM 1116 C THR A 70 -17.350 9.585 -20.631 1.00 0.00 C ATOM 1117 O THR A 70 -16.945 10.728 -20.420 1.00 0.00 O ATOM 1118 CB THR A 70 -17.811 9.537 -23.087 1.00 0.00 C ATOM 1119 OG1 THR A 70 -18.758 9.233 -24.094 1.00 0.00 O ATOM 1120 CG2 THR A 70 -16.576 8.699 -23.351 1.00 0.00 C ATOM 0 H THR A 70 -19.349 11.105 -21.142 1.00 0.00 H new ATOM 0 HA THR A 70 -18.735 8.280 -21.607 1.00 0.00 H new ATOM 0 HB THR A 70 -17.529 10.590 -23.115 1.00 0.00 H new ATOM 0 HG1 THR A 70 -19.458 9.918 -24.102 1.00 0.00 H new ATOM 0 HG21 THR A 70 -16.205 8.904 -24.355 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.805 8.947 -22.621 1.00 0.00 H new ATOM 0 HG23 THR A 70 -16.829 7.642 -23.267 1.00 0.00 H new ATOM 1128 N ARG A 71 -16.901 8.526 -19.970 1.00 0.00 N ATOM 1129 CA ARG A 71 -15.883 8.650 -18.935 1.00 0.00 C ATOM 1130 C ARG A 71 -14.504 8.769 -19.567 1.00 0.00 C ATOM 1131 O ARG A 71 -13.916 7.775 -19.979 1.00 0.00 O ATOM 1132 CB ARG A 71 -15.923 7.441 -18.000 1.00 0.00 C ATOM 1133 CG ARG A 71 -16.264 7.795 -16.562 1.00 0.00 C ATOM 1134 CD ARG A 71 -15.809 6.710 -15.600 1.00 0.00 C ATOM 1135 NE ARG A 71 -16.190 5.377 -16.058 1.00 0.00 N ATOM 1136 CZ ARG A 71 -16.258 4.316 -15.261 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -15.982 4.435 -13.970 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -16.607 3.135 -15.753 1.00 0.00 N ATOM 0 H ARG A 71 -17.225 7.573 -20.132 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.088 9.550 -18.355 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -16.657 6.727 -18.374 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.954 6.942 -18.023 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.791 8.740 -16.297 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -17.340 7.940 -16.467 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -14.726 6.758 -15.485 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -16.242 6.893 -14.617 1.00 0.00 H new ATOM 0 HE ARG A 71 -16.417 5.253 -17.045 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -15.717 5.342 -13.587 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -16.035 3.619 -13.360 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -16.824 3.040 -16.745 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -16.659 2.322 -15.139 1.00 0.00 H new ATOM 1152 N TYR A 72 -14.000 9.991 -19.658 1.00 0.00 N ATOM 1153 CA TYR A 72 -12.695 10.231 -20.263 1.00 0.00 C ATOM 1154 C TYR A 72 -11.556 10.023 -19.270 1.00 0.00 C ATOM 1155 O TYR A 72 -11.449 10.730 -18.267 1.00 0.00 O ATOM 1156 CB TYR A 72 -12.634 11.638 -20.855 1.00 0.00 C ATOM 1157 CG TYR A 72 -12.819 11.655 -22.355 1.00 0.00 C ATOM 1158 CD1 TYR A 72 -14.085 11.758 -22.918 1.00 0.00 C ATOM 1159 CD2 TYR A 72 -11.729 11.550 -23.209 1.00 0.00 C ATOM 1160 CE1 TYR A 72 -14.257 11.758 -24.289 1.00 0.00 C ATOM 1161 CE2 TYR A 72 -11.894 11.548 -24.580 1.00 0.00 C ATOM 1162 CZ TYR A 72 -13.159 11.652 -25.115 1.00 0.00 C ATOM 1163 OH TYR A 72 -13.328 11.648 -26.482 1.00 0.00 O ATOM 0 H TYR A 72 -14.472 10.831 -19.322 1.00 0.00 H new ATOM 0 HA TYR A 72 -12.568 9.501 -21.062 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -13.404 12.255 -20.392 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -11.673 12.089 -20.608 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -14.948 11.839 -22.274 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -10.735 11.469 -22.794 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -15.248 11.841 -24.711 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -11.035 11.465 -25.230 1.00 0.00 H new ATOM 0 HH TYR A 72 -12.608 12.163 -26.902 1.00 0.00 H new ATOM 1173 N TRP A 73 -10.699 9.049 -19.572 1.00 0.00 N ATOM 1174 CA TRP A 73 -9.549 8.737 -18.728 1.00 0.00 C ATOM 1175 C TRP A 73 -8.270 9.278 -19.360 1.00 0.00 C ATOM 1176 O TRP A 73 -7.755 8.704 -20.319 1.00 0.00 O ATOM 1177 CB TRP A 73 -9.418 7.222 -18.539 1.00 0.00 C ATOM 1178 CG TRP A 73 -10.573 6.599 -17.819 1.00 0.00 C ATOM 1179 CD1 TRP A 73 -11.838 6.419 -18.298 1.00 0.00 C ATOM 1180 CD2 TRP A 73 -10.566 6.062 -16.491 1.00 0.00 C ATOM 1181 NE1 TRP A 73 -12.621 5.811 -17.347 1.00 0.00 N ATOM 1182 CE2 TRP A 73 -11.863 5.581 -16.229 1.00 0.00 C ATOM 1183 CE3 TRP A 73 -9.590 5.944 -15.498 1.00 0.00 C ATOM 1184 CZ2 TRP A 73 -12.207 4.991 -15.016 1.00 0.00 C ATOM 1185 CZ3 TRP A 73 -9.932 5.358 -14.295 1.00 0.00 C ATOM 1186 CH2 TRP A 73 -11.231 4.888 -14.062 1.00 0.00 C ATOM 0 H TRP A 73 -10.781 8.460 -20.400 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.701 9.207 -17.756 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.315 6.751 -19.517 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -8.502 7.012 -17.986 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -12.175 6.712 -19.282 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -13.606 5.570 -17.455 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -8.586 6.305 -15.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -13.208 4.628 -14.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.185 5.260 -13.521 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -11.467 4.435 -13.110 1.00 0.00 H new ATOM 1197 N ALA A 74 -7.766 10.390 -18.834 1.00 0.00 N ATOM 1198 CA ALA A 74 -6.557 10.993 -19.375 1.00 0.00 C ATOM 1199 C ALA A 74 -5.373 10.866 -18.425 1.00 0.00 C ATOM 1200 O ALA A 74 -5.520 10.453 -17.275 1.00 0.00 O ATOM 1201 CB ALA A 74 -6.806 12.453 -19.719 1.00 0.00 C ATOM 0 H ALA A 74 -8.173 10.887 -18.041 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.301 10.447 -20.283 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.894 12.892 -20.123 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.601 12.521 -20.461 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.102 12.993 -18.820 1.00 0.00 H new ATOM 1207 N ARG A 75 -4.198 11.230 -18.928 1.00 0.00 N ATOM 1208 CA ARG A 75 -2.968 11.170 -18.153 1.00 0.00 C ATOM 1209 C ARG A 75 -1.919 12.086 -18.766 1.00 0.00 C ATOM 1210 O ARG A 75 -2.103 12.598 -19.871 1.00 0.00 O ATOM 1211 CB ARG A 75 -2.444 9.735 -18.096 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.465 9.029 -19.442 1.00 0.00 C ATOM 1213 CD ARG A 75 -1.595 7.782 -19.433 1.00 0.00 C ATOM 1214 NE ARG A 75 -2.370 6.575 -19.157 1.00 0.00 N ATOM 1215 CZ ARG A 75 -2.683 6.162 -17.933 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -2.290 6.853 -16.872 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -3.393 5.054 -17.769 1.00 0.00 N ATOM 0 H ARG A 75 -4.074 11.573 -19.880 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.179 11.504 -17.137 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.423 9.744 -17.715 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.044 9.165 -17.386 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.490 8.757 -19.695 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.116 9.711 -20.217 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.097 7.680 -20.397 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.814 7.891 -18.681 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.689 6.017 -19.949 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.745 7.706 -16.993 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.533 6.531 -15.935 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.699 4.519 -18.582 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.633 4.737 -16.830 1.00 0.00 H new ATOM 1231 N VAL A 76 -0.823 12.300 -18.049 1.00 0.00 N ATOM 1232 CA VAL A 76 0.235 13.167 -18.543 1.00 0.00 C ATOM 1233 C VAL A 76 1.617 12.557 -18.328 1.00 0.00 C ATOM 1234 O VAL A 76 1.910 12.004 -17.268 1.00 0.00 O ATOM 1235 CB VAL A 76 0.165 14.562 -17.886 1.00 0.00 C ATOM 1236 CG1 VAL A 76 0.617 14.512 -16.432 1.00 0.00 C ATOM 1237 CG2 VAL A 76 0.991 15.561 -18.679 1.00 0.00 C ATOM 0 H VAL A 76 -0.646 11.889 -17.132 1.00 0.00 H new ATOM 0 HA VAL A 76 0.078 13.276 -19.616 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.875 14.890 -17.894 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.556 15.510 -15.998 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.028 13.833 -15.874 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.646 14.157 -16.383 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.932 16.540 -18.204 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.030 15.233 -18.707 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.604 15.627 -19.696 1.00 0.00 H new ATOM 1247 N ARG A 77 2.457 12.664 -19.352 1.00 0.00 N ATOM 1248 CA ARG A 77 3.811 12.127 -19.302 1.00 0.00 C ATOM 1249 C ARG A 77 4.838 13.252 -19.284 1.00 0.00 C ATOM 1250 O ARG A 77 5.008 13.956 -20.276 1.00 0.00 O ATOM 1251 CB ARG A 77 4.056 11.227 -20.512 1.00 0.00 C ATOM 1252 CG ARG A 77 4.808 9.955 -20.178 1.00 0.00 C ATOM 1253 CD ARG A 77 5.216 9.201 -21.432 1.00 0.00 C ATOM 1254 NE ARG A 77 5.239 7.757 -21.218 1.00 0.00 N ATOM 1255 CZ ARG A 77 5.932 6.911 -21.974 1.00 0.00 C ATOM 1256 NH1 ARG A 77 6.652 7.363 -22.992 1.00 0.00 N ATOM 1257 NH2 ARG A 77 5.904 5.611 -21.712 1.00 0.00 N ATOM 0 H ARG A 77 2.221 13.121 -20.233 1.00 0.00 H new ATOM 0 HA ARG A 77 3.917 11.545 -18.387 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.097 10.966 -20.960 1.00 0.00 H new ATOM 0 HB3 ARG A 77 4.617 11.785 -21.262 1.00 0.00 H new ATOM 0 HG2 ARG A 77 5.696 10.199 -19.594 1.00 0.00 H new ATOM 0 HG3 ARG A 77 4.183 9.315 -19.555 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.522 9.437 -22.239 1.00 0.00 H new ATOM 0 HD3 ARG A 77 6.203 9.536 -21.752 1.00 0.00 H new ATOM 0 HE ARG A 77 4.693 7.376 -20.445 1.00 0.00 H new ATOM 0 HH11 ARG A 77 6.675 8.362 -23.197 1.00 0.00 H new ATOM 0 HH12 ARG A 77 7.183 6.712 -23.570 1.00 0.00 H new ATOM 0 HH21 ARG A 77 5.351 5.260 -20.930 1.00 0.00 H new ATOM 0 HH22 ARG A 77 6.436 4.962 -22.292 1.00 0.00 H new ATOM 1271 N VAL A 78 5.520 13.421 -18.156 1.00 0.00 N ATOM 1272 CA VAL A 78 6.521 14.473 -18.030 1.00 0.00 C ATOM 1273 C VAL A 78 7.939 13.917 -18.118 1.00 0.00 C ATOM 1274 O VAL A 78 8.358 13.118 -17.282 1.00 0.00 O ATOM 1275 CB VAL A 78 6.362 15.248 -16.706 1.00 0.00 C ATOM 1276 CG1 VAL A 78 6.466 14.311 -15.512 1.00 0.00 C ATOM 1277 CG2 VAL A 78 7.393 16.360 -16.609 1.00 0.00 C ATOM 0 H VAL A 78 5.399 12.847 -17.321 1.00 0.00 H new ATOM 0 HA VAL A 78 6.358 15.155 -18.865 1.00 0.00 H new ATOM 0 HB VAL A 78 5.370 15.699 -16.695 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.351 14.882 -14.591 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.682 13.557 -15.572 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.440 13.823 -15.517 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.264 16.895 -15.668 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.395 15.932 -16.649 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.261 17.052 -17.441 1.00 0.00 H new ATOM 1287 N ARG A 79 8.680 14.358 -19.131 1.00 0.00 N ATOM 1288 CA ARG A 79 10.057 13.917 -19.320 1.00 0.00 C ATOM 1289 C ARG A 79 11.020 14.973 -18.779 1.00 0.00 C ATOM 1290 O ARG A 79 10.670 15.720 -17.869 1.00 0.00 O ATOM 1291 CB ARG A 79 10.332 13.633 -20.801 1.00 0.00 C ATOM 1292 CG ARG A 79 10.428 14.880 -21.667 1.00 0.00 C ATOM 1293 CD ARG A 79 10.569 14.522 -23.139 1.00 0.00 C ATOM 1294 NE ARG A 79 11.504 15.404 -23.833 1.00 0.00 N ATOM 1295 CZ ARG A 79 11.574 15.509 -25.157 1.00 0.00 C ATOM 1296 NH1 ARG A 79 10.767 14.789 -25.924 1.00 0.00 N ATOM 1297 NH2 ARG A 79 12.451 16.333 -25.714 1.00 0.00 N ATOM 0 H ARG A 79 8.349 15.020 -19.833 1.00 0.00 H new ATOM 0 HA ARG A 79 10.211 12.991 -18.767 1.00 0.00 H new ATOM 0 HB2 ARG A 79 11.263 13.073 -20.885 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.539 12.994 -21.190 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.539 15.494 -21.524 1.00 0.00 H new ATOM 0 HG3 ARG A 79 11.283 15.479 -21.353 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.909 13.491 -23.230 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.593 14.579 -23.620 1.00 0.00 H new ATOM 0 HE ARG A 79 12.139 15.971 -23.271 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.092 14.154 -25.499 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.822 14.870 -26.939 1.00 0.00 H new ATOM 0 HH21 ARG A 79 13.074 16.888 -25.127 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.503 16.412 -26.730 1.00 0.00 H new ATOM 1311 N THR A 80 12.229 15.040 -19.328 1.00 0.00 N ATOM 1312 CA THR A 80 13.208 16.020 -18.871 1.00 0.00 C ATOM 1313 C THR A 80 13.954 16.644 -20.043 1.00 0.00 C ATOM 1314 O THR A 80 15.154 16.435 -20.209 1.00 0.00 O ATOM 1315 CB THR A 80 14.200 15.374 -17.906 1.00 0.00 C ATOM 1316 OG1 THR A 80 14.854 14.276 -18.518 1.00 0.00 O ATOM 1317 CG2 THR A 80 13.556 14.876 -16.630 1.00 0.00 C ATOM 0 H THR A 80 12.552 14.434 -20.082 1.00 0.00 H new ATOM 0 HA THR A 80 12.668 16.811 -18.350 1.00 0.00 H new ATOM 0 HB THR A 80 14.909 16.161 -17.651 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.279 14.571 -19.350 1.00 0.00 H new ATOM 0 HG21 THR A 80 14.316 14.429 -15.989 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.088 15.711 -16.109 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.800 14.129 -16.872 1.00 0.00 H new ATOM 1325 N SER A 81 13.237 17.417 -20.848 1.00 0.00 N ATOM 1326 CA SER A 81 13.834 18.078 -22.002 1.00 0.00 C ATOM 1327 C SER A 81 14.831 19.143 -21.557 1.00 0.00 C ATOM 1328 O SER A 81 14.548 20.339 -21.621 1.00 0.00 O ATOM 1329 CB SER A 81 12.748 18.709 -22.876 1.00 0.00 C ATOM 1330 OG SER A 81 11.572 18.960 -22.129 1.00 0.00 O ATOM 0 H SER A 81 12.242 17.602 -20.724 1.00 0.00 H new ATOM 0 HA SER A 81 14.366 17.327 -22.587 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.117 19.642 -23.303 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.518 18.046 -23.710 1.00 0.00 H new ATOM 0 HG SER A 81 10.895 19.364 -22.711 1.00 0.00 H new ATOM 1336 N ARG A 82 15.999 18.698 -21.101 1.00 0.00 N ATOM 1337 CA ARG A 82 17.039 19.611 -20.639 1.00 0.00 C ATOM 1338 C ARG A 82 18.002 19.975 -21.768 1.00 0.00 C ATOM 1339 O ARG A 82 19.132 20.394 -21.518 1.00 0.00 O ATOM 1340 CB ARG A 82 17.812 18.987 -19.476 1.00 0.00 C ATOM 1341 CG ARG A 82 17.696 19.773 -18.181 1.00 0.00 C ATOM 1342 CD ARG A 82 18.005 18.906 -16.973 1.00 0.00 C ATOM 1343 NE ARG A 82 19.333 19.178 -16.432 1.00 0.00 N ATOM 1344 CZ ARG A 82 19.863 18.513 -15.411 1.00 0.00 C ATOM 1345 NH1 ARG A 82 19.182 17.537 -14.827 1.00 0.00 N ATOM 1346 NH2 ARG A 82 21.076 18.823 -14.975 1.00 0.00 N ATOM 0 H ARG A 82 16.248 17.711 -21.042 1.00 0.00 H new ATOM 0 HA ARG A 82 16.553 20.526 -20.300 1.00 0.00 H new ATOM 0 HB2 ARG A 82 17.448 17.973 -19.310 1.00 0.00 H new ATOM 0 HB3 ARG A 82 18.864 18.907 -19.750 1.00 0.00 H new ATOM 0 HG2 ARG A 82 18.381 20.621 -18.206 1.00 0.00 H new ATOM 0 HG3 ARG A 82 16.689 20.180 -18.090 1.00 0.00 H new ATOM 0 HD2 ARG A 82 17.256 19.080 -16.200 1.00 0.00 H new ATOM 0 HD3 ARG A 82 17.936 17.855 -17.253 1.00 0.00 H new ATOM 0 HE ARG A 82 19.885 19.920 -16.862 1.00 0.00 H new ATOM 0 HH11 ARG A 82 18.249 17.295 -15.161 1.00 0.00 H new ATOM 0 HH12 ARG A 82 19.591 17.028 -14.043 1.00 0.00 H new ATOM 0 HH21 ARG A 82 21.603 19.572 -15.423 1.00 0.00 H new ATOM 0 HH22 ARG A 82 21.482 18.312 -14.191 1.00 0.00 H new ATOM 1360 N THR A 83 17.547 19.817 -23.008 1.00 0.00 N ATOM 1361 CA THR A 83 18.367 20.135 -24.174 1.00 0.00 C ATOM 1362 C THR A 83 19.464 19.093 -24.381 1.00 0.00 C ATOM 1363 O THR A 83 19.525 18.443 -25.425 1.00 0.00 O ATOM 1364 CB THR A 83 18.990 21.530 -24.035 1.00 0.00 C ATOM 1365 OG1 THR A 83 20.245 21.461 -23.382 1.00 0.00 O ATOM 1366 CG2 THR A 83 18.125 22.505 -23.263 1.00 0.00 C ATOM 0 H THR A 83 16.614 19.470 -23.232 1.00 0.00 H new ATOM 0 HA THR A 83 17.715 20.124 -25.047 1.00 0.00 H new ATOM 0 HB THR A 83 19.096 21.895 -25.057 1.00 0.00 H new ATOM 0 HG1 THR A 83 20.107 21.344 -22.419 1.00 0.00 H new ATOM 0 HG21 THR A 83 18.628 23.470 -23.204 1.00 0.00 H new ATOM 0 HG22 THR A 83 17.169 22.625 -23.772 1.00 0.00 H new ATOM 0 HG23 THR A 83 17.955 22.123 -22.257 1.00 0.00 H new ATOM 1374 N GLY A 84 20.332 18.942 -23.385 1.00 0.00 N ATOM 1375 CA GLY A 84 21.415 17.982 -23.487 1.00 0.00 C ATOM 1376 C GLY A 84 21.185 16.744 -22.643 1.00 0.00 C ATOM 1377 O GLY A 84 22.137 16.071 -22.246 1.00 0.00 O ATOM 0 H GLY A 84 20.304 19.467 -22.511 1.00 0.00 H new ATOM 0 HA2 GLY A 84 21.536 17.688 -24.530 1.00 0.00 H new ATOM 0 HA3 GLY A 84 22.346 18.458 -23.179 1.00 0.00 H new ATOM 1381 N TYR A 85 19.921 16.437 -22.367 1.00 0.00 N ATOM 1382 CA TYR A 85 19.583 15.267 -21.566 1.00 0.00 C ATOM 1383 C TYR A 85 19.473 14.021 -22.446 1.00 0.00 C ATOM 1384 O TYR A 85 19.337 14.121 -23.666 1.00 0.00 O ATOM 1385 CB TYR A 85 18.275 15.510 -20.787 1.00 0.00 C ATOM 1386 CG TYR A 85 17.016 15.032 -21.486 1.00 0.00 C ATOM 1387 CD1 TYR A 85 16.546 15.664 -22.630 1.00 0.00 C ATOM 1388 CD2 TYR A 85 16.302 13.945 -20.997 1.00 0.00 C ATOM 1389 CE1 TYR A 85 15.400 15.226 -23.267 1.00 0.00 C ATOM 1390 CE2 TYR A 85 15.157 13.500 -21.628 1.00 0.00 C ATOM 1391 CZ TYR A 85 14.709 14.144 -22.762 1.00 0.00 C ATOM 1392 OH TYR A 85 13.568 13.704 -23.393 1.00 0.00 O ATOM 0 H TYR A 85 19.118 16.980 -22.685 1.00 0.00 H new ATOM 0 HA TYR A 85 20.383 15.098 -20.846 1.00 0.00 H new ATOM 0 HB2 TYR A 85 18.347 15.012 -19.820 1.00 0.00 H new ATOM 0 HB3 TYR A 85 18.180 16.578 -20.589 1.00 0.00 H new ATOM 0 HD1 TYR A 85 17.085 16.511 -23.028 1.00 0.00 H new ATOM 0 HD2 TYR A 85 16.648 13.439 -20.108 1.00 0.00 H new ATOM 0 HE1 TYR A 85 15.047 15.728 -24.156 1.00 0.00 H new ATOM 0 HE2 TYR A 85 14.615 12.652 -21.235 1.00 0.00 H new ATOM 0 HH TYR A 85 13.204 12.933 -22.910 1.00 0.00 H new ATOM 1402 N ASN A 86 19.530 12.851 -21.819 1.00 0.00 N ATOM 1403 CA ASN A 86 19.434 11.592 -22.553 1.00 0.00 C ATOM 1404 C ASN A 86 18.130 11.522 -23.364 1.00 0.00 C ATOM 1405 O ASN A 86 18.031 12.128 -24.430 1.00 0.00 O ATOM 1406 CB ASN A 86 19.564 10.387 -21.611 1.00 0.00 C ATOM 1407 CG ASN A 86 18.963 10.635 -20.243 1.00 0.00 C ATOM 1408 OD1 ASN A 86 19.399 10.053 -19.249 1.00 0.00 O ATOM 1409 ND2 ASN A 86 17.956 11.498 -20.178 1.00 0.00 N ATOM 0 H ASN A 86 19.641 12.747 -20.810 1.00 0.00 H new ATOM 0 HA ASN A 86 20.267 11.554 -23.255 1.00 0.00 H new ATOM 0 HB2 ASN A 86 19.076 9.524 -22.065 1.00 0.00 H new ATOM 0 HB3 ASN A 86 20.618 10.134 -21.498 1.00 0.00 H new ATOM 0 HD21 ASN A 86 17.514 11.700 -19.281 1.00 0.00 H new ATOM 0 HD22 ASN A 86 17.624 11.959 -21.025 1.00 0.00 H new ATOM 1416 N GLY A 87 17.133 10.788 -22.863 1.00 0.00 N ATOM 1417 CA GLY A 87 15.869 10.673 -23.564 1.00 0.00 C ATOM 1418 C GLY A 87 14.895 9.771 -22.832 1.00 0.00 C ATOM 1419 O GLY A 87 14.232 8.934 -23.443 1.00 0.00 O ATOM 0 H GLY A 87 17.183 10.273 -21.984 1.00 0.00 H new ATOM 0 HA2 GLY A 87 15.428 11.663 -23.682 1.00 0.00 H new ATOM 0 HA3 GLY A 87 16.044 10.281 -24.566 1.00 0.00 H new ATOM 1423 N ILE A 88 14.819 9.939 -21.515 1.00 0.00 N ATOM 1424 CA ILE A 88 13.929 9.130 -20.690 1.00 0.00 C ATOM 1425 C ILE A 88 12.570 9.810 -20.513 1.00 0.00 C ATOM 1426 O ILE A 88 12.305 10.853 -21.110 1.00 0.00 O ATOM 1427 CB ILE A 88 14.561 8.834 -19.299 1.00 0.00 C ATOM 1428 CG1 ILE A 88 14.234 9.940 -18.285 1.00 0.00 C ATOM 1429 CG2 ILE A 88 16.070 8.665 -19.423 1.00 0.00 C ATOM 1430 CD1 ILE A 88 14.575 11.329 -18.775 1.00 0.00 C ATOM 0 H ILE A 88 15.363 10.628 -20.997 1.00 0.00 H new ATOM 0 HA ILE A 88 13.779 8.183 -21.209 1.00 0.00 H new ATOM 0 HB ILE A 88 14.128 7.903 -18.932 1.00 0.00 H new ATOM 0 HG12 ILE A 88 13.172 9.899 -18.045 1.00 0.00 H new ATOM 0 HG13 ILE A 88 14.778 9.746 -17.360 1.00 0.00 H new ATOM 0 HG21 ILE A 88 16.495 8.459 -18.441 1.00 0.00 H new ATOM 0 HG22 ILE A 88 16.289 7.835 -20.095 1.00 0.00 H new ATOM 0 HG23 ILE A 88 16.507 9.580 -19.822 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.317 12.059 -18.008 1.00 0.00 H new ATOM 0 HD12 ILE A 88 15.642 11.388 -18.988 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.011 11.543 -19.683 1.00 0.00 H new ATOM 1442 N TRP A 89 11.725 9.218 -19.674 1.00 0.00 N ATOM 1443 CA TRP A 89 10.404 9.769 -19.404 1.00 0.00 C ATOM 1444 C TRP A 89 9.919 9.383 -18.009 1.00 0.00 C ATOM 1445 O TRP A 89 10.623 8.704 -17.261 1.00 0.00 O ATOM 1446 CB TRP A 89 9.405 9.279 -20.445 1.00 0.00 C ATOM 1447 CG TRP A 89 9.503 10.002 -21.750 1.00 0.00 C ATOM 1448 CD1 TRP A 89 10.452 9.827 -22.712 1.00 0.00 C ATOM 1449 CD2 TRP A 89 8.620 11.018 -22.234 1.00 0.00 C ATOM 1450 NE1 TRP A 89 10.213 10.671 -23.770 1.00 0.00 N ATOM 1451 CE2 TRP A 89 9.092 11.413 -23.500 1.00 0.00 C ATOM 1452 CE3 TRP A 89 7.474 11.631 -21.721 1.00 0.00 C ATOM 1453 CZ2 TRP A 89 8.457 12.393 -24.259 1.00 0.00 C ATOM 1454 CZ3 TRP A 89 6.845 12.604 -22.474 1.00 0.00 C ATOM 1455 CH2 TRP A 89 7.337 12.976 -23.731 1.00 0.00 C ATOM 0 H TRP A 89 11.933 8.356 -19.170 1.00 0.00 H new ATOM 0 HA TRP A 89 10.480 10.855 -19.456 1.00 0.00 H new ATOM 0 HB2 TRP A 89 9.563 8.214 -20.616 1.00 0.00 H new ATOM 0 HB3 TRP A 89 8.395 9.393 -20.050 1.00 0.00 H new ATOM 0 HD1 TRP A 89 11.272 9.127 -22.652 1.00 0.00 H new ATOM 0 HE1 TRP A 89 10.777 10.735 -24.617 1.00 0.00 H new ATOM 0 HE3 TRP A 89 7.087 11.349 -20.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 8.835 12.682 -25.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 5.959 13.085 -22.087 1.00 0.00 H new ATOM 0 HH2 TRP A 89 6.822 13.739 -24.296 1.00 0.00 H new ATOM 1466 N SER A 90 8.708 9.818 -17.670 1.00 0.00 N ATOM 1467 CA SER A 90 8.120 9.517 -16.369 1.00 0.00 C ATOM 1468 C SER A 90 7.365 8.191 -16.414 1.00 0.00 C ATOM 1469 O SER A 90 7.461 7.445 -17.389 1.00 0.00 O ATOM 1470 CB SER A 90 7.178 10.645 -15.937 1.00 0.00 C ATOM 1471 OG SER A 90 6.111 10.805 -16.857 1.00 0.00 O ATOM 0 H SER A 90 8.115 10.381 -18.280 1.00 0.00 H new ATOM 0 HA SER A 90 8.926 9.433 -15.640 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.778 10.428 -14.947 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.736 11.578 -15.858 1.00 0.00 H new ATOM 0 HG SER A 90 5.309 11.104 -16.379 1.00 0.00 H new ATOM 1477 N GLU A 91 6.618 7.900 -15.353 1.00 0.00 N ATOM 1478 CA GLU A 91 5.851 6.661 -15.275 1.00 0.00 C ATOM 1479 C GLU A 91 4.371 6.912 -15.552 1.00 0.00 C ATOM 1480 O GLU A 91 3.506 6.196 -15.047 1.00 0.00 O ATOM 1481 CB GLU A 91 6.015 6.023 -13.895 1.00 0.00 C ATOM 1482 CG GLU A 91 7.287 5.202 -13.747 1.00 0.00 C ATOM 1483 CD GLU A 91 7.008 3.735 -13.481 1.00 0.00 C ATOM 1484 OE1 GLU A 91 6.783 2.987 -14.455 1.00 0.00 O ATOM 1485 OE2 GLU A 91 7.017 3.335 -12.297 1.00 0.00 O ATOM 0 H GLU A 91 6.528 8.504 -14.536 1.00 0.00 H new ATOM 0 HA GLU A 91 6.235 5.981 -16.036 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.010 6.808 -13.139 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.155 5.383 -13.696 1.00 0.00 H new ATOM 0 HG2 GLU A 91 7.883 5.296 -14.655 1.00 0.00 H new ATOM 0 HG3 GLU A 91 7.884 5.608 -12.930 1.00 0.00 H new ATOM 1492 N TRP A 92 4.086 7.931 -16.354 1.00 0.00 N ATOM 1493 CA TRP A 92 2.708 8.273 -16.692 1.00 0.00 C ATOM 1494 C TRP A 92 1.942 8.706 -15.447 1.00 0.00 C ATOM 1495 O TRP A 92 1.830 7.950 -14.482 1.00 0.00 O ATOM 1496 CB TRP A 92 2.008 7.078 -17.345 1.00 0.00 C ATOM 1497 CG TRP A 92 2.143 7.051 -18.837 1.00 0.00 C ATOM 1498 CD1 TRP A 92 2.735 6.078 -19.589 1.00 0.00 C ATOM 1499 CD2 TRP A 92 1.674 8.041 -19.758 1.00 0.00 C ATOM 1500 NE1 TRP A 92 2.666 6.404 -20.922 1.00 0.00 N ATOM 1501 CE2 TRP A 92 2.019 7.605 -21.051 1.00 0.00 C ATOM 1502 CE3 TRP A 92 0.997 9.255 -19.615 1.00 0.00 C ATOM 1503 CZ2 TRP A 92 1.709 8.340 -22.192 1.00 0.00 C ATOM 1504 CZ3 TRP A 92 0.689 9.983 -20.749 1.00 0.00 C ATOM 1505 CH2 TRP A 92 1.045 9.523 -22.023 1.00 0.00 C ATOM 0 H TRP A 92 4.788 8.534 -16.782 1.00 0.00 H new ATOM 0 HA TRP A 92 2.726 9.103 -17.398 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.420 6.156 -16.934 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.950 7.099 -17.084 1.00 0.00 H new ATOM 0 HD1 TRP A 92 3.191 5.182 -19.194 1.00 0.00 H new ATOM 0 HE1 TRP A 92 3.036 5.844 -21.690 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.719 9.618 -18.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.983 7.988 -23.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.165 10.922 -20.651 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.790 10.115 -22.890 1.00 0.00 H new ATOM 1516 N SER A 93 1.422 9.928 -15.471 1.00 0.00 N ATOM 1517 CA SER A 93 0.672 10.462 -14.340 1.00 0.00 C ATOM 1518 C SER A 93 -0.578 9.633 -14.070 1.00 0.00 C ATOM 1519 O SER A 93 -1.224 9.142 -14.996 1.00 0.00 O ATOM 1520 CB SER A 93 0.285 11.919 -14.598 1.00 0.00 C ATOM 1521 OG SER A 93 -0.970 12.005 -15.251 1.00 0.00 O ATOM 0 H SER A 93 1.506 10.568 -16.261 1.00 0.00 H new ATOM 0 HA SER A 93 1.313 10.413 -13.460 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.245 12.461 -13.653 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.050 12.399 -15.208 1.00 0.00 H new ATOM 0 HG SER A 93 -1.544 12.641 -14.775 1.00 0.00 H new ATOM 1527 N GLU A 94 -0.916 9.483 -12.791 1.00 0.00 N ATOM 1528 CA GLU A 94 -2.092 8.715 -12.389 1.00 0.00 C ATOM 1529 C GLU A 94 -3.303 9.075 -13.244 1.00 0.00 C ATOM 1530 O GLU A 94 -3.777 10.211 -13.225 1.00 0.00 O ATOM 1531 CB GLU A 94 -2.405 8.965 -10.912 1.00 0.00 C ATOM 1532 CG GLU A 94 -3.485 8.051 -10.354 1.00 0.00 C ATOM 1533 CD GLU A 94 -3.731 8.277 -8.875 1.00 0.00 C ATOM 1534 OE1 GLU A 94 -3.731 9.450 -8.446 1.00 0.00 O ATOM 1535 OE2 GLU A 94 -3.923 7.282 -8.145 1.00 0.00 O ATOM 0 H GLU A 94 -0.391 9.884 -12.014 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.871 7.658 -12.537 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.493 8.834 -10.329 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.718 10.002 -10.786 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.413 8.214 -10.902 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.197 7.012 -10.516 1.00 0.00 H new ATOM 1542 N ALA A 95 -3.795 8.098 -13.997 1.00 0.00 N ATOM 1543 CA ALA A 95 -4.948 8.306 -14.862 1.00 0.00 C ATOM 1544 C ALA A 95 -6.096 8.960 -14.102 1.00 0.00 C ATOM 1545 O ALA A 95 -6.304 8.691 -12.919 1.00 0.00 O ATOM 1546 CB ALA A 95 -5.394 6.984 -15.465 1.00 0.00 C ATOM 0 H ALA A 95 -3.412 7.153 -14.025 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.653 8.980 -15.666 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -6.257 7.151 -16.110 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.580 6.558 -16.051 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -5.666 6.293 -14.667 1.00 0.00 H new ATOM 1552 N ARG A 96 -6.839 9.819 -14.790 1.00 0.00 N ATOM 1553 CA ARG A 96 -7.969 10.513 -14.183 1.00 0.00 C ATOM 1554 C ARG A 96 -9.210 10.400 -15.061 1.00 0.00 C ATOM 1555 O ARG A 96 -9.165 10.690 -16.256 1.00 0.00 O ATOM 1556 CB ARG A 96 -7.623 11.985 -13.952 1.00 0.00 C ATOM 1557 CG ARG A 96 -6.475 12.191 -12.977 1.00 0.00 C ATOM 1558 CD ARG A 96 -6.915 11.948 -11.543 1.00 0.00 C ATOM 1559 NE ARG A 96 -6.531 13.046 -10.661 1.00 0.00 N ATOM 1560 CZ ARG A 96 -7.087 13.265 -9.474 1.00 0.00 C ATOM 1561 NH1 ARG A 96 -8.044 12.462 -9.030 1.00 0.00 N ATOM 1562 NH2 ARG A 96 -6.685 14.286 -8.729 1.00 0.00 N ATOM 0 H ARG A 96 -6.679 10.052 -15.770 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.182 10.043 -13.223 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.366 12.444 -14.907 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.506 12.503 -13.577 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.657 11.515 -13.228 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.091 13.206 -13.074 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -7.997 11.819 -11.512 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.473 11.020 -11.180 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.795 13.680 -10.973 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -8.354 11.675 -9.600 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -8.470 12.631 -8.119 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.948 14.905 -9.067 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.113 14.452 -7.818 1.00 0.00 H new ATOM 1576 N SER A 97 -10.317 9.973 -14.462 1.00 0.00 N ATOM 1577 CA SER A 97 -11.569 9.818 -15.193 1.00 0.00 C ATOM 1578 C SER A 97 -12.568 10.903 -14.809 1.00 0.00 C ATOM 1579 O SER A 97 -12.843 11.121 -13.629 1.00 0.00 O ATOM 1580 CB SER A 97 -12.173 8.439 -14.923 1.00 0.00 C ATOM 1581 OG SER A 97 -11.301 7.645 -14.139 1.00 0.00 O ATOM 0 H SER A 97 -10.372 9.728 -13.473 1.00 0.00 H new ATOM 0 HA SER A 97 -11.350 9.913 -16.256 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.128 8.551 -14.410 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.376 7.936 -15.868 1.00 0.00 H new ATOM 0 HG SER A 97 -11.133 6.795 -14.596 1.00 0.00 H new ATOM 1587 N TRP A 98 -13.113 11.577 -15.817 1.00 0.00 N ATOM 1588 CA TRP A 98 -14.087 12.637 -15.590 1.00 0.00 C ATOM 1589 C TRP A 98 -15.285 12.474 -16.522 1.00 0.00 C ATOM 1590 O TRP A 98 -15.135 12.065 -17.673 1.00 0.00 O ATOM 1591 CB TRP A 98 -13.440 14.010 -15.793 1.00 0.00 C ATOM 1592 CG TRP A 98 -13.176 14.346 -17.231 1.00 0.00 C ATOM 1593 CD1 TRP A 98 -14.013 15.003 -18.086 1.00 0.00 C ATOM 1594 CD2 TRP A 98 -11.994 14.043 -17.982 1.00 0.00 C ATOM 1595 NE1 TRP A 98 -13.424 15.126 -19.321 1.00 0.00 N ATOM 1596 CE2 TRP A 98 -12.184 14.545 -19.279 1.00 0.00 C ATOM 1597 CE3 TRP A 98 -10.793 13.399 -17.685 1.00 0.00 C ATOM 1598 CZ2 TRP A 98 -11.217 14.418 -20.270 1.00 0.00 C ATOM 1599 CZ3 TRP A 98 -9.836 13.274 -18.670 1.00 0.00 C ATOM 1600 CH2 TRP A 98 -10.054 13.784 -19.951 1.00 0.00 C ATOM 0 H TRP A 98 -12.896 11.407 -16.799 1.00 0.00 H new ATOM 0 HA TRP A 98 -14.438 12.565 -14.560 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -14.088 14.774 -15.364 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -12.500 14.044 -15.243 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -14.995 15.372 -17.829 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -13.841 15.576 -20.136 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -10.615 13.003 -16.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -11.383 14.810 -21.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -8.905 12.774 -18.447 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -9.287 13.674 -20.703 1.00 0.00 H new ATOM 1611 N ASP A 99 -16.470 12.796 -16.018 1.00 0.00 N ATOM 1612 CA ASP A 99 -17.690 12.683 -16.809 1.00 0.00 C ATOM 1613 C ASP A 99 -17.906 13.932 -17.655 1.00 0.00 C ATOM 1614 O ASP A 99 -17.620 15.047 -17.218 1.00 0.00 O ATOM 1615 CB ASP A 99 -18.897 12.455 -15.897 1.00 0.00 C ATOM 1616 CG ASP A 99 -20.116 11.973 -16.660 1.00 0.00 C ATOM 1617 OD1 ASP A 99 -20.042 10.887 -17.272 1.00 0.00 O ATOM 1618 OD2 ASP A 99 -21.144 12.682 -16.644 1.00 0.00 O ATOM 0 H ASP A 99 -16.613 13.137 -15.067 1.00 0.00 H new ATOM 0 HA ASP A 99 -17.582 11.828 -17.476 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -18.638 11.723 -15.132 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -19.139 13.384 -15.380 1.00 0.00 H new ATOM 1623 N THR A 100 -18.414 13.737 -18.866 1.00 0.00 N ATOM 1624 CA THR A 100 -18.672 14.847 -19.777 1.00 0.00 C ATOM 1625 C THR A 100 -20.151 15.219 -19.795 1.00 0.00 C ATOM 1626 O THR A 100 -20.611 15.918 -20.697 1.00 0.00 O ATOM 1627 CB THR A 100 -18.214 14.485 -21.185 1.00 0.00 C ATOM 1628 OG1 THR A 100 -18.411 13.105 -21.437 1.00 0.00 O ATOM 1629 CG2 THR A 100 -16.757 14.793 -21.430 1.00 0.00 C ATOM 0 H THR A 100 -18.656 12.820 -19.241 1.00 0.00 H new ATOM 0 HA THR A 100 -18.109 15.710 -19.421 1.00 0.00 H new ATOM 0 HB THR A 100 -18.818 15.097 -21.855 1.00 0.00 H new ATOM 0 HG1 THR A 100 -17.983 12.863 -22.284 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.492 14.513 -22.450 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.582 15.860 -21.290 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.143 14.229 -20.728 1.00 0.00 H new ATOM 1637 N GLU A 101 -20.889 14.747 -18.794 1.00 0.00 N ATOM 1638 CA GLU A 101 -22.322 15.023 -18.682 1.00 0.00 C ATOM 1639 C GLU A 101 -23.017 14.951 -20.042 1.00 0.00 C ATOM 1640 O GLU A 101 -22.482 14.381 -20.994 1.00 0.00 O ATOM 1641 CB GLU A 101 -22.552 16.396 -18.041 1.00 0.00 C ATOM 1642 CG GLU A 101 -22.249 17.571 -18.959 1.00 0.00 C ATOM 1643 CD GLU A 101 -23.305 18.655 -18.882 1.00 0.00 C ATOM 1644 OE1 GLU A 101 -23.631 19.087 -17.756 1.00 0.00 O ATOM 1645 OE2 GLU A 101 -23.808 19.071 -19.946 1.00 0.00 O ATOM 0 H GLU A 101 -20.516 14.167 -18.042 1.00 0.00 H new ATOM 0 HA GLU A 101 -22.758 14.254 -18.044 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -23.590 16.463 -17.714 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -21.931 16.477 -17.149 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -21.279 17.993 -18.695 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -22.173 17.215 -19.986 1.00 0.00 H new ATOM 1652 N SER A 102 -24.209 15.533 -20.125 1.00 0.00 N ATOM 1653 CA SER A 102 -24.975 15.535 -21.367 1.00 0.00 C ATOM 1654 C SER A 102 -25.583 16.909 -21.629 1.00 0.00 C ATOM 1655 O SER A 102 -24.861 17.786 -22.147 1.00 0.00 O ATOM 1656 CB SER A 102 -26.079 14.478 -21.313 1.00 0.00 C ATOM 1657 OG SER A 102 -26.761 14.513 -20.071 1.00 0.00 O ATOM 1658 OXT SER A 102 -26.777 17.097 -21.312 1.00 0.00 O ATOM 0 H SER A 102 -24.666 16.009 -19.347 1.00 0.00 H new ATOM 0 HA SER A 102 -24.294 15.297 -22.184 1.00 0.00 H new ATOM 0 HB2 SER A 102 -26.787 14.646 -22.125 1.00 0.00 H new ATOM 0 HB3 SER A 102 -25.647 13.489 -21.466 1.00 0.00 H new ATOM 0 HG SER A 102 -27.105 15.417 -19.912 1.00 0.00 H new TER 1664 SER A 102