USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 810 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 41 MET CE :methyl -173:sc= -0.784 (180deg=-0.948) USER MOD Set 1.2: A 122 TYR OH : rot 0:sc= -1.21 USER MOD Set 2.1: A 111 MET CE :methyl -161:sc= -6.26! (180deg=-9.44!) USER MOD Set 2.2: A 114 HIS :FLIP no HD1:sc= -8.44! C(o=-18!,f=-15!) USER MOD Set 3.1: A 100 GLN : amide:sc= -2.61 K(o=-11,f=-19!) USER MOD Set 3.2: A 102 LYS NZ :NH3+ 170:sc= -0.272 (180deg=0) USER MOD Set 3.3: A 107 HIS : no HE2:sc= -7.65! C(o=-11!,f=-23!) USER MOD Set 4.1: A 74 CYS SG : rot 120:sc= 0.127 USER MOD Set 4.2: A 124 HIS : no HE2:sc= -3.24! C(o=-3.1!,f=-3!) USER MOD Set 5.1: A 65 THR OG1 : rot 180:sc= 0.335 USER MOD Set 5.2: A 66 ASN : amide:sc= -3.38! K(o=-3!,f=-3.6) USER MOD Set 6.1: A 51 SER OG : rot 180:sc= -0.28 USER MOD Set 6.2: A 52 HIS : no HE2:sc= -6.61! C(o=-6.9!,f=-7.1!) USER MOD Single : A 3 SER OG : rot 15:sc= 0.783 USER MOD Single : A 9 GLN : amide:sc= -0.495 K(o=-0.49,f=-1.1) USER MOD Single : A 12 THR OG1 : rot 50:sc= -1.82 USER MOD Single : A 14 ASN : amide:sc=-0.00167 X(o=-0.0017,f=-0.0017) USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot -61:sc= -0.422 USER MOD Single : A 33 GLN : amide:sc= -0.292 K(o=-0.29,f=-2.2) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0434 USER MOD Single : A 55 ASN : amide:sc= -5.88! C(o=-5.9!,f=-21!) USER MOD Single : A 57 THR OG1 : rot 77:sc= 1.14 USER MOD Single : A 58 TYR OH : rot 30:sc= -1.5 USER MOD Single : A 61 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0155) USER MOD Single : A 69 SER OG : rot -24:sc= -0.554 USER MOD Single : A 89 CYS SG : rot 170:sc= -0.286 USER MOD Single : A 91 GLN : amide:sc=-0.00753 X(o=-0.0075,f=0.095) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl -148:sc= -3.42! (180deg=-5.88!) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 118 HIS : no HD1:sc= -0.0185 X(o=-0.018,f=0) USER MOD Single : A 133 MET CE :methyl -171:sc= -9.35! (180deg=-9.98!) USER MOD Single : A 135 SER OG : rot 71:sc= 0.586 USER MOD Single : A 138 THR OG1 : rot 87:sc= 0.126 USER MOD Single : A 139 GLN : amide:sc= 1.24 K(o=1.2,f=-0.13) USER MOD Single : A 141 MET CE :methyl -162:sc= -5.33! (180deg=-7.41!) USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 6.733 6.530 -14.734 1.00 1.94 N ATOM 2 CA SER A 3 5.335 6.754 -14.277 1.00 1.63 C ATOM 3 C SER A 3 4.984 5.841 -13.107 1.00 1.31 C ATOM 4 O SER A 3 4.776 4.638 -13.281 1.00 1.66 O ATOM 5 CB SER A 3 4.387 6.498 -15.452 1.00 1.81 C ATOM 6 OG SER A 3 5.076 6.553 -16.690 1.00 2.13 O ATOM 0 HA SER A 3 5.233 7.783 -13.932 1.00 1.63 H new ATOM 0 HB2 SER A 3 3.918 5.521 -15.337 1.00 1.81 H new ATOM 0 HB3 SER A 3 3.587 7.239 -15.445 1.00 1.81 H new ATOM 0 HG SER A 3 6.042 6.507 -16.529 1.00 2.13 H new ATOM 12 N VAL A 4 4.920 6.416 -11.913 1.00 1.30 N ATOM 13 CA VAL A 4 4.592 5.649 -10.721 1.00 1.06 C ATOM 14 C VAL A 4 3.085 5.522 -10.553 1.00 0.93 C ATOM 15 O VAL A 4 2.448 6.343 -9.893 1.00 1.44 O ATOM 16 CB VAL A 4 5.203 6.276 -9.451 1.00 1.68 C ATOM 17 CG1 VAL A 4 4.708 7.703 -9.255 1.00 1.82 C ATOM 18 CG2 VAL A 4 4.894 5.424 -8.226 1.00 2.29 C ATOM 0 H VAL A 4 5.090 7.408 -11.746 1.00 1.30 H new ATOM 0 HA VAL A 4 5.023 4.657 -10.855 1.00 1.06 H new ATOM 0 HB VAL A 4 6.285 6.310 -9.579 1.00 1.68 H new ATOM 0 HG11 VAL A 4 5.154 8.122 -8.353 1.00 1.82 H new ATOM 0 HG12 VAL A 4 4.993 8.308 -10.115 1.00 1.82 H new ATOM 0 HG13 VAL A 4 3.622 7.701 -9.156 1.00 1.82 H new ATOM 0 HG21 VAL A 4 5.334 5.885 -7.342 1.00 2.29 H new ATOM 0 HG22 VAL A 4 3.814 5.350 -8.097 1.00 2.29 H new ATOM 0 HG23 VAL A 4 5.312 4.427 -8.362 1.00 2.29 H new ATOM 22 N LEU A 5 2.521 4.483 -11.157 1.00 0.94 N ATOM 23 CA LEU A 5 1.089 4.239 -11.076 1.00 1.34 C ATOM 24 C LEU A 5 0.738 3.564 -9.756 1.00 1.09 C ATOM 25 O LEU A 5 1.333 2.553 -9.385 1.00 1.34 O ATOM 26 CB LEU A 5 0.630 3.372 -12.249 1.00 2.05 C ATOM 27 CG LEU A 5 0.191 4.148 -13.496 1.00 2.97 C ATOM 28 CD1 LEU A 5 0.844 3.571 -14.743 1.00 3.92 C ATOM 29 CD2 LEU A 5 -1.325 4.130 -13.630 1.00 3.33 C ATOM 0 H LEU A 5 3.035 3.796 -11.708 1.00 0.94 H new ATOM 0 HA LEU A 5 0.573 5.198 -11.126 1.00 1.34 H new ATOM 0 HB2 LEU A 5 1.443 2.701 -12.525 1.00 2.05 H new ATOM 0 HB3 LEU A 5 -0.200 2.748 -11.917 1.00 2.05 H new ATOM 0 HG LEU A 5 0.515 5.183 -13.387 1.00 2.97 H new ATOM 0 HD11 LEU A 5 0.520 4.135 -15.618 1.00 3.92 H new ATOM 0 HD12 LEU A 5 1.928 3.637 -14.650 1.00 3.92 H new ATOM 0 HD13 LEU A 5 0.552 2.527 -14.856 1.00 3.92 H new ATOM 0 HD21 LEU A 5 -1.618 4.686 -14.521 1.00 3.33 H new ATOM 0 HD22 LEU A 5 -1.671 3.100 -13.715 1.00 3.33 H new ATOM 0 HD23 LEU A 5 -1.774 4.592 -12.750 1.00 3.33 H new ATOM 35 N VAL A 6 -0.230 4.127 -9.050 1.00 0.88 N ATOM 36 CA VAL A 6 -0.656 3.576 -7.774 1.00 0.75 C ATOM 37 C VAL A 6 -2.149 3.778 -7.573 1.00 0.75 C ATOM 38 O VAL A 6 -2.756 4.638 -8.213 1.00 1.03 O ATOM 39 CB VAL A 6 0.112 4.212 -6.601 1.00 0.94 C ATOM 40 CG1 VAL A 6 1.600 3.920 -6.725 1.00 1.26 C ATOM 41 CG2 VAL A 6 -0.142 5.712 -6.541 1.00 1.02 C ATOM 0 H VAL A 6 -0.735 4.965 -9.339 1.00 0.88 H new ATOM 0 HA VAL A 6 -0.436 2.509 -7.793 1.00 0.75 H new ATOM 0 HB VAL A 6 -0.249 3.772 -5.671 1.00 0.94 H new ATOM 0 HG11 VAL A 6 2.131 4.376 -5.889 1.00 1.26 H new ATOM 0 HG12 VAL A 6 1.761 2.842 -6.713 1.00 1.26 H new ATOM 0 HG13 VAL A 6 1.975 4.333 -7.661 1.00 1.26 H new ATOM 0 HG21 VAL A 6 0.410 6.141 -5.705 1.00 1.02 H new ATOM 0 HG22 VAL A 6 0.189 6.175 -7.471 1.00 1.02 H new ATOM 0 HG23 VAL A 6 -1.208 5.895 -6.404 1.00 1.02 H new ATOM 45 N ASP A 7 -2.747 2.981 -6.696 1.00 0.72 N ATOM 46 CA ASP A 7 -4.177 3.092 -6.446 1.00 0.83 C ATOM 47 C ASP A 7 -4.533 2.771 -4.998 1.00 0.75 C ATOM 48 O ASP A 7 -5.033 1.686 -4.699 1.00 0.99 O ATOM 49 CB ASP A 7 -4.950 2.166 -7.387 1.00 1.02 C ATOM 50 CG ASP A 7 -4.997 2.696 -8.808 1.00 1.78 C ATOM 51 OD1 ASP A 7 -5.186 3.918 -8.979 1.00 2.52 O ATOM 52 OD2 ASP A 7 -4.846 1.887 -9.748 1.00 2.33 O ATOM 0 H ASP A 7 -2.271 2.260 -6.153 1.00 0.72 H new ATOM 0 HA ASP A 7 -4.460 4.128 -6.635 1.00 0.83 H new ATOM 0 HB2 ASP A 7 -4.486 1.180 -7.385 1.00 1.02 H new ATOM 0 HB3 ASP A 7 -5.967 2.040 -7.015 1.00 1.02 H new ATOM 57 N LEU A 8 -4.299 3.729 -4.106 1.00 0.63 N ATOM 58 CA LEU A 8 -4.631 3.545 -2.698 1.00 0.74 C ATOM 59 C LEU A 8 -5.971 4.209 -2.394 1.00 0.59 C ATOM 60 O LEU A 8 -6.141 5.410 -2.593 1.00 0.79 O ATOM 61 CB LEU A 8 -3.510 4.075 -1.782 1.00 1.20 C ATOM 62 CG LEU A 8 -3.424 5.596 -1.579 1.00 0.83 C ATOM 63 CD1 LEU A 8 -3.467 6.332 -2.908 1.00 1.78 C ATOM 64 CD2 LEU A 8 -4.523 6.086 -0.644 1.00 1.52 C ATOM 0 H LEU A 8 -3.884 4.633 -4.331 1.00 0.63 H new ATOM 0 HA LEU A 8 -4.721 2.478 -2.495 1.00 0.74 H new ATOM 0 HB2 LEU A 8 -3.627 3.610 -0.803 1.00 1.20 H new ATOM 0 HB3 LEU A 8 -2.556 3.734 -2.185 1.00 1.20 H new ATOM 0 HG LEU A 8 -2.464 5.815 -1.111 1.00 0.83 H new ATOM 0 HD11 LEU A 8 -3.404 7.406 -2.731 1.00 1.78 H new ATOM 0 HD12 LEU A 8 -2.627 6.016 -3.526 1.00 1.78 H new ATOM 0 HD13 LEU A 8 -4.401 6.103 -3.421 1.00 1.78 H new ATOM 0 HD21 LEU A 8 -4.439 7.165 -0.518 1.00 1.52 H new ATOM 0 HD22 LEU A 8 -5.497 5.845 -1.070 1.00 1.52 H new ATOM 0 HD23 LEU A 8 -4.420 5.598 0.325 1.00 1.52 H new ATOM 70 N GLN A 9 -6.943 3.417 -1.946 1.00 0.65 N ATOM 71 CA GLN A 9 -8.271 3.957 -1.660 1.00 0.80 C ATOM 72 C GLN A 9 -8.935 3.257 -0.481 1.00 0.79 C ATOM 73 O GLN A 9 -8.589 2.128 -0.134 1.00 0.81 O ATOM 74 CB GLN A 9 -9.162 3.839 -2.896 1.00 1.03 C ATOM 75 CG GLN A 9 -9.496 2.403 -3.271 1.00 1.27 C ATOM 76 CD GLN A 9 -9.418 2.157 -4.764 1.00 1.82 C ATOM 77 OE1 GLN A 9 -10.388 2.366 -5.491 1.00 2.23 O ATOM 78 NE2 GLN A 9 -8.258 1.709 -5.231 1.00 2.59 N ATOM 0 H GLN A 9 -6.840 2.417 -1.775 1.00 0.65 H new ATOM 0 HA GLN A 9 -8.143 5.006 -1.393 1.00 0.80 H new ATOM 0 HB2 GLN A 9 -10.089 4.384 -2.719 1.00 1.03 H new ATOM 0 HB3 GLN A 9 -8.665 4.320 -3.739 1.00 1.03 H new ATOM 0 HG2 GLN A 9 -8.809 1.729 -2.759 1.00 1.27 H new ATOM 0 HG3 GLN A 9 -10.499 2.164 -2.919 1.00 1.27 H new ATOM 0 HE21 GLN A 9 -7.479 1.549 -4.593 1.00 2.59 H new ATOM 0 HE22 GLN A 9 -8.147 1.525 -6.228 1.00 2.59 H new ATOM 85 N ILE A 10 -9.906 3.942 0.118 1.00 0.83 N ATOM 86 CA ILE A 10 -10.645 3.404 1.252 1.00 0.86 C ATOM 87 C ILE A 10 -11.938 2.740 0.792 1.00 1.02 C ATOM 88 O ILE A 10 -12.466 3.061 -0.274 1.00 1.23 O ATOM 89 CB ILE A 10 -10.976 4.511 2.281 1.00 0.96 C ATOM 90 CG1 ILE A 10 -11.165 3.900 3.670 1.00 1.21 C ATOM 91 CG2 ILE A 10 -12.218 5.294 1.864 1.00 1.28 C ATOM 92 CD1 ILE A 10 -11.596 4.904 4.716 1.00 1.19 C ATOM 0 H ILE A 10 -10.199 4.876 -0.167 1.00 0.83 H new ATOM 0 HA ILE A 10 -10.008 2.659 1.729 1.00 0.86 H new ATOM 0 HB ILE A 10 -10.139 5.208 2.316 1.00 0.96 H new ATOM 0 HG12 ILE A 10 -11.910 3.106 3.611 1.00 1.21 H new ATOM 0 HG13 ILE A 10 -10.230 3.437 3.985 1.00 1.21 H new ATOM 0 HG21 ILE A 10 -12.428 6.065 2.605 1.00 1.28 H new ATOM 0 HG22 ILE A 10 -12.046 5.760 0.894 1.00 1.28 H new ATOM 0 HG23 ILE A 10 -13.069 4.616 1.795 1.00 1.28 H new ATOM 0 HD11 ILE A 10 -11.711 4.402 5.677 1.00 1.19 H new ATOM 0 HD12 ILE A 10 -10.841 5.685 4.803 1.00 1.19 H new ATOM 0 HD13 ILE A 10 -12.547 5.349 4.423 1.00 1.19 H new ATOM 96 N ALA A 11 -12.445 1.817 1.597 1.00 0.97 N ATOM 97 CA ALA A 11 -13.676 1.118 1.265 1.00 1.15 C ATOM 98 C ALA A 11 -14.601 1.026 2.475 1.00 1.15 C ATOM 99 O ALA A 11 -15.003 -0.062 2.886 1.00 1.32 O ATOM 100 CB ALA A 11 -13.360 -0.265 0.714 1.00 1.30 C ATOM 0 H ALA A 11 -12.023 1.536 2.482 1.00 0.97 H new ATOM 0 HA ALA A 11 -14.198 1.687 0.496 1.00 1.15 H new ATOM 0 HB1 ALA A 11 -14.289 -0.780 0.469 1.00 1.30 H new ATOM 0 HB2 ALA A 11 -12.751 -0.168 -0.184 1.00 1.30 H new ATOM 0 HB3 ALA A 11 -12.814 -0.839 1.463 1.00 1.30 H new ATOM 106 N THR A 12 -14.938 2.181 3.040 1.00 1.10 N ATOM 107 CA THR A 12 -15.818 2.236 4.201 1.00 1.29 C ATOM 108 C THR A 12 -17.076 3.038 3.887 1.00 1.72 C ATOM 109 O THR A 12 -17.007 4.122 3.306 1.00 2.07 O ATOM 110 CB THR A 12 -15.089 2.853 5.395 1.00 1.15 C ATOM 111 OG1 THR A 12 -14.031 3.686 4.960 1.00 1.78 O ATOM 112 CG2 THR A 12 -14.505 1.822 6.337 1.00 1.29 C ATOM 0 H THR A 12 -14.615 3.091 2.712 1.00 1.10 H new ATOM 0 HA THR A 12 -16.110 1.217 4.454 1.00 1.29 H new ATOM 0 HB THR A 12 -15.846 3.425 5.932 1.00 1.15 H new ATOM 0 HG1 THR A 12 -14.362 4.306 4.277 1.00 1.78 H new ATOM 0 HG21 THR A 12 -14.002 2.326 7.162 1.00 1.29 H new ATOM 0 HG22 THR A 12 -15.304 1.194 6.730 1.00 1.29 H new ATOM 0 HG23 THR A 12 -13.788 1.202 5.799 1.00 1.29 H new ATOM 117 N GLU A 13 -18.225 2.495 4.274 1.00 2.10 N ATOM 118 CA GLU A 13 -19.503 3.155 4.036 1.00 2.62 C ATOM 119 C GLU A 13 -19.522 4.550 4.651 1.00 2.49 C ATOM 120 O GLU A 13 -20.110 5.478 4.094 1.00 2.85 O ATOM 121 CB GLU A 13 -20.647 2.318 4.611 1.00 3.24 C ATOM 122 CG GLU A 13 -21.904 2.335 3.755 1.00 3.89 C ATOM 123 CD GLU A 13 -22.541 0.965 3.626 1.00 4.72 C ATOM 124 OE1 GLU A 13 -22.024 0.141 2.844 1.00 5.17 O ATOM 125 OE2 GLU A 13 -23.557 0.717 4.309 1.00 5.27 O ATOM 0 H GLU A 13 -18.297 1.598 4.755 1.00 2.10 H new ATOM 0 HA GLU A 13 -19.636 3.252 2.958 1.00 2.62 H new ATOM 0 HB2 GLU A 13 -20.310 1.288 4.726 1.00 3.24 H new ATOM 0 HB3 GLU A 13 -20.891 2.687 5.607 1.00 3.24 H new ATOM 0 HG2 GLU A 13 -22.625 3.027 4.189 1.00 3.89 H new ATOM 0 HG3 GLU A 13 -21.658 2.712 2.762 1.00 3.89 H new ATOM 132 N ASN A 14 -18.875 4.693 5.803 1.00 2.26 N ATOM 133 CA ASN A 14 -18.818 5.975 6.493 1.00 2.51 C ATOM 134 C ASN A 14 -17.524 6.111 7.288 1.00 1.99 C ATOM 135 O ASN A 14 -17.052 5.151 7.897 1.00 1.78 O ATOM 136 CB ASN A 14 -20.021 6.130 7.425 1.00 3.10 C ATOM 137 CG ASN A 14 -21.240 6.680 6.711 1.00 3.79 C ATOM 138 OD1 ASN A 14 -21.371 7.889 6.525 1.00 4.30 O ATOM 139 ND2 ASN A 14 -22.140 5.792 6.305 1.00 4.18 N ATOM 0 H ASN A 14 -18.383 3.936 6.278 1.00 2.26 H new ATOM 0 HA ASN A 14 -18.844 6.764 5.741 1.00 2.51 H new ATOM 0 HB2 ASN A 14 -20.266 5.162 7.862 1.00 3.10 H new ATOM 0 HB3 ASN A 14 -19.756 6.793 8.248 1.00 3.10 H new ATOM 0 HD21 ASN A 14 -22.980 6.104 5.818 1.00 4.18 H new ATOM 0 HD22 ASN A 14 -21.991 4.798 6.480 1.00 4.18 H new ATOM 144 N ILE A 15 -16.956 7.313 7.281 1.00 2.45 N ATOM 145 CA ILE A 15 -15.717 7.581 8.003 1.00 2.24 C ATOM 146 C ILE A 15 -15.726 8.984 8.599 1.00 1.60 C ATOM 147 O ILE A 15 -16.654 9.761 8.374 1.00 1.92 O ATOM 148 CB ILE A 15 -14.468 7.434 7.100 1.00 3.00 C ATOM 149 CG1 ILE A 15 -14.843 7.524 5.617 1.00 2.89 C ATOM 150 CG2 ILE A 15 -13.755 6.123 7.390 1.00 3.77 C ATOM 151 CD1 ILE A 15 -15.566 8.802 5.252 1.00 3.61 C ATOM 0 H ILE A 15 -17.335 8.118 6.782 1.00 2.45 H new ATOM 0 HA ILE A 15 -15.661 6.838 8.799 1.00 2.24 H new ATOM 0 HB ILE A 15 -13.791 8.258 7.325 1.00 3.00 H new ATOM 0 HG12 ILE A 15 -13.937 7.445 5.016 1.00 2.89 H new ATOM 0 HG13 ILE A 15 -15.473 6.673 5.358 1.00 2.89 H new ATOM 0 HG21 ILE A 15 -12.879 6.035 6.747 1.00 3.77 H new ATOM 0 HG22 ILE A 15 -13.442 6.102 8.434 1.00 3.77 H new ATOM 0 HG23 ILE A 15 -14.432 5.290 7.197 1.00 3.77 H new ATOM 0 HD11 ILE A 15 -15.800 8.796 4.187 1.00 3.61 H new ATOM 0 HD12 ILE A 15 -16.490 8.874 5.826 1.00 3.61 H new ATOM 0 HD13 ILE A 15 -14.930 9.657 5.479 1.00 3.61 H new ATOM 155 N GLU A 16 -14.680 9.302 9.353 1.00 1.45 N ATOM 156 CA GLU A 16 -14.556 10.615 9.974 1.00 1.67 C ATOM 157 C GLU A 16 -13.648 11.511 9.139 1.00 1.94 C ATOM 158 O GLU A 16 -12.932 12.360 9.670 1.00 2.67 O ATOM 159 CB GLU A 16 -14.001 10.480 11.393 1.00 2.11 C ATOM 160 CG GLU A 16 -15.075 10.283 12.450 1.00 3.11 C ATOM 161 CD GLU A 16 -14.817 11.098 13.702 1.00 3.84 C ATOM 162 OE1 GLU A 16 -14.354 12.251 13.575 1.00 4.13 O ATOM 163 OE2 GLU A 16 -15.076 10.583 14.809 1.00 4.53 O ATOM 0 H GLU A 16 -13.905 8.668 9.549 1.00 1.45 H new ATOM 0 HA GLU A 16 -15.545 11.070 10.026 1.00 1.67 H new ATOM 0 HB2 GLU A 16 -13.312 9.636 11.426 1.00 2.11 H new ATOM 0 HB3 GLU A 16 -13.424 11.373 11.635 1.00 2.11 H new ATOM 0 HG2 GLU A 16 -16.044 10.559 12.034 1.00 3.11 H new ATOM 0 HG3 GLU A 16 -15.131 9.227 12.714 1.00 3.11 H new ATOM 170 N GLY A 17 -13.681 11.306 7.826 1.00 1.95 N ATOM 171 CA GLY A 17 -12.858 12.088 6.925 1.00 2.86 C ATOM 172 C GLY A 17 -12.234 11.233 5.839 1.00 2.74 C ATOM 173 O GLY A 17 -11.070 10.846 5.937 1.00 3.16 O ATOM 0 H GLY A 17 -14.267 10.608 7.369 1.00 1.95 H new ATOM 0 HA2 GLY A 17 -13.464 12.870 6.467 1.00 2.86 H new ATOM 0 HA3 GLY A 17 -12.071 12.585 7.492 1.00 2.86 H new ATOM 177 N LEU A 18 -13.015 10.929 4.805 1.00 2.64 N ATOM 178 CA LEU A 18 -12.537 10.104 3.699 1.00 2.63 C ATOM 179 C LEU A 18 -11.207 10.619 3.158 1.00 2.01 C ATOM 180 O LEU A 18 -10.927 11.817 3.204 1.00 2.22 O ATOM 181 CB LEU A 18 -13.573 10.068 2.576 1.00 3.46 C ATOM 182 CG LEU A 18 -14.154 11.430 2.191 1.00 3.97 C ATOM 183 CD1 LEU A 18 -13.715 11.820 0.787 1.00 4.46 C ATOM 184 CD2 LEU A 18 -15.671 11.412 2.295 1.00 4.91 C ATOM 0 H LEU A 18 -13.981 11.242 4.710 1.00 2.64 H new ATOM 0 HA LEU A 18 -12.384 9.094 4.080 1.00 2.63 H new ATOM 0 HB2 LEU A 18 -13.115 9.622 1.693 1.00 3.46 H new ATOM 0 HB3 LEU A 18 -14.390 9.413 2.876 1.00 3.46 H new ATOM 0 HG LEU A 18 -13.773 12.177 2.888 1.00 3.97 H new ATOM 0 HD11 LEU A 18 -14.138 12.791 0.530 1.00 4.46 H new ATOM 0 HD12 LEU A 18 -12.627 11.876 0.748 1.00 4.46 H new ATOM 0 HD13 LEU A 18 -14.065 11.072 0.075 1.00 4.46 H new ATOM 0 HD21 LEU A 18 -16.066 12.389 2.017 1.00 4.91 H new ATOM 0 HD22 LEU A 18 -16.073 10.654 1.623 1.00 4.91 H new ATOM 0 HD23 LEU A 18 -15.963 11.180 3.319 1.00 4.91 H new ATOM 190 N PRO A 19 -10.363 9.711 2.643 1.00 1.58 N ATOM 191 CA PRO A 19 -9.056 10.059 2.099 1.00 1.46 C ATOM 192 C PRO A 19 -9.111 10.412 0.615 1.00 1.48 C ATOM 193 O PRO A 19 -9.897 9.839 -0.140 1.00 2.32 O ATOM 194 CB PRO A 19 -8.272 8.770 2.313 1.00 1.63 C ATOM 195 CG PRO A 19 -9.283 7.688 2.125 1.00 1.84 C ATOM 196 CD PRO A 19 -10.612 8.259 2.559 1.00 1.84 C ATOM 0 HA PRO A 19 -8.624 10.941 2.573 1.00 1.46 H new ATOM 0 HB2 PRO A 19 -7.454 8.679 1.598 1.00 1.63 H new ATOM 0 HB3 PRO A 19 -7.831 8.733 3.309 1.00 1.63 H new ATOM 0 HG2 PRO A 19 -9.320 7.369 1.083 1.00 1.84 H new ATOM 0 HG3 PRO A 19 -9.026 6.810 2.718 1.00 1.84 H new ATOM 0 HD2 PRO A 19 -11.399 8.029 1.841 1.00 1.84 H new ATOM 0 HD3 PRO A 19 -10.928 7.851 3.519 1.00 1.84 H new ATOM 204 N THR A 20 -8.264 11.350 0.202 1.00 1.19 N ATOM 205 CA THR A 20 -8.211 11.771 -1.193 1.00 1.25 C ATOM 206 C THR A 20 -6.973 11.199 -1.878 1.00 1.21 C ATOM 207 O THR A 20 -5.858 11.329 -1.373 1.00 1.19 O ATOM 208 CB THR A 20 -8.204 13.297 -1.289 1.00 1.39 C ATOM 209 OG1 THR A 20 -7.070 13.837 -0.635 1.00 1.78 O ATOM 210 CG2 THR A 20 -9.433 13.940 -0.684 1.00 2.03 C ATOM 0 H THR A 20 -7.605 11.832 0.814 1.00 1.19 H new ATOM 0 HA THR A 20 -9.098 11.390 -1.699 1.00 1.25 H new ATOM 0 HB THR A 20 -8.186 13.518 -2.356 1.00 1.39 H new ATOM 0 HG1 THR A 20 -7.084 14.814 -0.710 1.00 1.78 H new ATOM 0 HG21 THR A 20 -9.364 15.023 -0.785 1.00 2.03 H new ATOM 0 HG22 THR A 20 -10.323 13.583 -1.202 1.00 2.03 H new ATOM 0 HG23 THR A 20 -9.498 13.678 0.372 1.00 2.03 H new ATOM 215 N GLU A 21 -7.176 10.557 -3.023 1.00 1.30 N ATOM 216 CA GLU A 21 -6.072 9.958 -3.765 1.00 1.28 C ATOM 217 C GLU A 21 -5.124 11.020 -4.310 1.00 1.19 C ATOM 218 O GLU A 21 -3.909 10.908 -4.161 1.00 1.10 O ATOM 219 CB GLU A 21 -6.599 9.086 -4.908 1.00 1.44 C ATOM 220 CG GLU A 21 -7.598 9.789 -5.814 1.00 1.56 C ATOM 221 CD GLU A 21 -8.085 8.901 -6.942 1.00 1.94 C ATOM 222 OE1 GLU A 21 -7.281 8.596 -7.848 1.00 2.04 O ATOM 223 OE2 GLU A 21 -9.271 8.509 -6.920 1.00 2.54 O ATOM 0 H GLU A 21 -8.091 10.438 -3.457 1.00 1.30 H new ATOM 0 HA GLU A 21 -5.513 9.331 -3.071 1.00 1.28 H new ATOM 0 HB2 GLU A 21 -5.756 8.745 -5.509 1.00 1.44 H new ATOM 0 HB3 GLU A 21 -7.069 8.198 -4.486 1.00 1.44 H new ATOM 0 HG2 GLU A 21 -8.451 10.119 -5.221 1.00 1.56 H new ATOM 0 HG3 GLU A 21 -7.137 10.683 -6.233 1.00 1.56 H new ATOM 230 N GLU A 22 -5.676 12.052 -4.939 1.00 1.24 N ATOM 231 CA GLU A 22 -4.857 13.124 -5.497 1.00 1.18 C ATOM 232 C GLU A 22 -3.832 13.610 -4.475 1.00 1.05 C ATOM 233 O GLU A 22 -2.628 13.627 -4.743 1.00 0.99 O ATOM 234 CB GLU A 22 -5.743 14.289 -5.948 1.00 1.26 C ATOM 235 CG GLU A 22 -5.747 14.499 -7.454 1.00 1.93 C ATOM 236 CD GLU A 22 -6.847 13.720 -8.150 1.00 2.47 C ATOM 237 OE1 GLU A 22 -7.355 12.749 -7.553 1.00 2.76 O ATOM 238 OE2 GLU A 22 -7.198 14.082 -9.292 1.00 3.23 O ATOM 0 H GLU A 22 -6.680 12.170 -5.075 1.00 1.24 H new ATOM 0 HA GLU A 22 -4.322 12.730 -6.362 1.00 1.18 H new ATOM 0 HB2 GLU A 22 -6.764 14.110 -5.611 1.00 1.26 H new ATOM 0 HB3 GLU A 22 -5.403 15.203 -5.462 1.00 1.26 H new ATOM 0 HG2 GLU A 22 -5.868 15.561 -7.668 1.00 1.93 H new ATOM 0 HG3 GLU A 22 -4.781 14.199 -7.861 1.00 1.93 H new ATOM 245 N GLN A 23 -4.319 13.989 -3.297 1.00 1.02 N ATOM 246 CA GLN A 23 -3.452 14.466 -2.228 1.00 0.93 C ATOM 247 C GLN A 23 -2.475 13.379 -1.793 1.00 0.82 C ATOM 248 O GLN A 23 -1.270 13.492 -2.013 1.00 0.77 O ATOM 249 CB GLN A 23 -4.288 14.925 -1.032 1.00 0.99 C ATOM 250 CG GLN A 23 -3.459 15.517 0.096 1.00 0.97 C ATOM 251 CD GLN A 23 -4.178 16.637 0.823 1.00 1.14 C ATOM 252 OE1 GLN A 23 -3.842 17.811 0.666 1.00 2.08 O ATOM 253 NE2 GLN A 23 -5.174 16.278 1.624 1.00 1.09 N ATOM 0 H GLN A 23 -5.311 13.974 -3.060 1.00 1.02 H new ATOM 0 HA GLN A 23 -2.880 15.312 -2.609 1.00 0.93 H new ATOM 0 HB2 GLN A 23 -5.012 15.667 -1.368 1.00 0.99 H new ATOM 0 HB3 GLN A 23 -4.856 14.077 -0.649 1.00 0.99 H new ATOM 0 HG2 GLN A 23 -3.206 14.731 0.807 1.00 0.97 H new ATOM 0 HG3 GLN A 23 -2.520 15.895 -0.308 1.00 0.97 H new ATOM 0 HE21 GLN A 23 -5.418 15.293 1.724 1.00 1.09 H new ATOM 0 HE22 GLN A 23 -5.695 16.987 2.139 1.00 1.09 H new ATOM 260 N ILE A 24 -3.003 12.323 -1.176 1.00 0.83 N ATOM 261 CA ILE A 24 -2.174 11.213 -0.708 1.00 0.74 C ATOM 262 C ILE A 24 -1.209 10.744 -1.795 1.00 0.69 C ATOM 263 O ILE A 24 0.011 10.794 -1.621 1.00 0.67 O ATOM 264 CB ILE A 24 -3.036 10.016 -0.249 1.00 0.82 C ATOM 265 CG1 ILE A 24 -4.038 10.455 0.820 1.00 1.01 C ATOM 266 CG2 ILE A 24 -2.150 8.899 0.286 1.00 0.85 C ATOM 267 CD1 ILE A 24 -5.354 9.712 0.757 1.00 1.43 C ATOM 0 H ILE A 24 -4.000 12.213 -0.989 1.00 0.83 H new ATOM 0 HA ILE A 24 -1.603 11.587 0.142 1.00 0.74 H new ATOM 0 HB ILE A 24 -3.590 9.641 -1.110 1.00 0.82 H new ATOM 0 HG12 ILE A 24 -3.594 10.308 1.805 1.00 1.01 H new ATOM 0 HG13 ILE A 24 -4.228 11.523 0.712 1.00 1.01 H new ATOM 0 HG21 ILE A 24 -2.772 8.063 0.605 1.00 0.85 H new ATOM 0 HG22 ILE A 24 -1.470 8.567 -0.498 1.00 0.85 H new ATOM 0 HG23 ILE A 24 -1.573 9.267 1.134 1.00 0.85 H new ATOM 0 HD11 ILE A 24 -6.015 10.075 1.544 1.00 1.43 H new ATOM 0 HD12 ILE A 24 -5.820 9.879 -0.214 1.00 1.43 H new ATOM 0 HD13 ILE A 24 -5.177 8.645 0.896 1.00 1.43 H new ATOM 271 N VAL A 25 -1.764 10.288 -2.914 1.00 0.77 N ATOM 272 CA VAL A 25 -0.956 9.807 -4.030 1.00 0.77 C ATOM 273 C VAL A 25 0.125 10.817 -4.403 1.00 0.74 C ATOM 274 O VAL A 25 1.313 10.500 -4.380 1.00 0.73 O ATOM 275 CB VAL A 25 -1.822 9.514 -5.275 1.00 0.91 C ATOM 276 CG1 VAL A 25 -0.961 9.015 -6.426 1.00 0.85 C ATOM 277 CG2 VAL A 25 -2.910 8.502 -4.948 1.00 1.45 C ATOM 0 H VAL A 25 -2.771 10.241 -3.072 1.00 0.77 H new ATOM 0 HA VAL A 25 -0.487 8.880 -3.700 1.00 0.77 H new ATOM 0 HB VAL A 25 -2.299 10.445 -5.582 1.00 0.91 H new ATOM 0 HG11 VAL A 25 -1.592 8.815 -7.292 1.00 0.85 H new ATOM 0 HG12 VAL A 25 -0.222 9.774 -6.683 1.00 0.85 H new ATOM 0 HG13 VAL A 25 -0.452 8.098 -6.129 1.00 0.85 H new ATOM 0 HG21 VAL A 25 -3.508 8.310 -5.839 1.00 1.45 H new ATOM 0 HG22 VAL A 25 -2.452 7.572 -4.611 1.00 1.45 H new ATOM 0 HG23 VAL A 25 -3.550 8.898 -4.160 1.00 1.45 H new ATOM 281 N GLN A 26 -0.294 12.032 -4.748 1.00 0.76 N ATOM 282 CA GLN A 26 0.648 13.082 -5.128 1.00 0.77 C ATOM 283 C GLN A 26 1.669 13.337 -4.021 1.00 0.72 C ATOM 284 O GLN A 26 2.875 13.248 -4.243 1.00 0.71 O ATOM 285 CB GLN A 26 -0.102 14.376 -5.452 1.00 0.85 C ATOM 286 CG GLN A 26 0.764 15.427 -6.128 1.00 0.94 C ATOM 287 CD GLN A 26 -0.055 16.476 -6.854 1.00 1.33 C ATOM 288 OE1 GLN A 26 -0.289 17.567 -6.334 1.00 1.72 O ATOM 289 NE2 GLN A 26 -0.495 16.150 -8.065 1.00 2.19 N ATOM 0 H GLN A 26 -1.274 12.313 -4.772 1.00 0.76 H new ATOM 0 HA GLN A 26 1.183 12.745 -6.016 1.00 0.77 H new ATOM 0 HB2 GLN A 26 -0.948 14.144 -6.098 1.00 0.85 H new ATOM 0 HB3 GLN A 26 -0.509 14.791 -4.530 1.00 0.85 H new ATOM 0 HG2 GLN A 26 1.390 15.913 -5.380 1.00 0.94 H new ATOM 0 HG3 GLN A 26 1.434 14.940 -6.836 1.00 0.94 H new ATOM 0 HE21 GLN A 26 -0.277 15.234 -8.457 1.00 2.19 H new ATOM 0 HE22 GLN A 26 -1.051 16.816 -8.602 1.00 2.19 H new ATOM 296 N TRP A 27 1.181 13.660 -2.831 1.00 0.74 N ATOM 297 CA TRP A 27 2.056 13.937 -1.697 1.00 0.76 C ATOM 298 C TRP A 27 3.092 12.826 -1.504 1.00 0.69 C ATOM 299 O TRP A 27 4.298 13.069 -1.585 1.00 0.67 O ATOM 300 CB TRP A 27 1.214 14.124 -0.424 1.00 0.92 C ATOM 301 CG TRP A 27 1.865 13.631 0.836 1.00 0.87 C ATOM 302 CD1 TRP A 27 1.607 12.458 1.485 1.00 1.06 C ATOM 303 CD2 TRP A 27 2.875 14.299 1.601 1.00 0.79 C ATOM 304 NE1 TRP A 27 2.394 12.354 2.605 1.00 1.02 N ATOM 305 CE2 TRP A 27 3.182 13.471 2.698 1.00 0.81 C ATOM 306 CE3 TRP A 27 3.552 15.514 1.465 1.00 0.89 C ATOM 307 CZ2 TRP A 27 4.134 13.822 3.652 1.00 0.79 C ATOM 308 CZ3 TRP A 27 4.496 15.860 2.413 1.00 0.98 C ATOM 309 CH2 TRP A 27 4.780 15.016 3.493 1.00 0.87 C ATOM 0 H TRP A 27 0.185 13.737 -2.625 1.00 0.74 H new ATOM 0 HA TRP A 27 2.602 14.858 -1.902 1.00 0.76 H new ATOM 0 HB2 TRP A 27 0.985 15.183 -0.308 1.00 0.92 H new ATOM 0 HB3 TRP A 27 0.264 13.605 -0.553 1.00 0.92 H new ATOM 0 HD1 TRP A 27 0.888 11.719 1.164 1.00 1.06 H new ATOM 0 HE1 TRP A 27 2.392 11.573 3.261 1.00 1.02 H new ATOM 0 HE3 TRP A 27 3.341 16.171 0.634 1.00 0.89 H new ATOM 0 HZ2 TRP A 27 4.354 13.174 4.488 1.00 0.79 H new ATOM 0 HZ3 TRP A 27 5.024 16.798 2.319 1.00 0.98 H new ATOM 0 HH2 TRP A 27 5.525 15.314 4.216 1.00 0.87 H new ATOM 320 N ALA A 28 2.621 11.613 -1.240 1.00 0.70 N ATOM 321 CA ALA A 28 3.519 10.486 -1.019 1.00 0.72 C ATOM 322 C ALA A 28 4.062 9.913 -2.326 1.00 0.68 C ATOM 323 O ALA A 28 5.217 10.147 -2.687 1.00 0.73 O ATOM 324 CB ALA A 28 2.809 9.401 -0.223 1.00 0.78 C ATOM 0 H ALA A 28 1.629 11.385 -1.174 1.00 0.70 H new ATOM 0 HA ALA A 28 4.372 10.856 -0.451 1.00 0.72 H new ATOM 0 HB1 ALA A 28 3.488 8.564 -0.063 1.00 0.78 H new ATOM 0 HB2 ALA A 28 2.495 9.803 0.740 1.00 0.78 H new ATOM 0 HB3 ALA A 28 1.934 9.058 -0.775 1.00 0.78 H new ATOM 330 N THR A 29 3.231 9.141 -3.017 1.00 0.63 N ATOM 331 CA THR A 29 3.640 8.512 -4.267 1.00 0.67 C ATOM 332 C THR A 29 4.156 9.527 -5.285 1.00 0.64 C ATOM 333 O THR A 29 4.978 9.194 -6.139 1.00 0.72 O ATOM 334 CB THR A 29 2.495 7.701 -4.865 1.00 0.69 C ATOM 335 OG1 THR A 29 1.430 7.568 -3.939 1.00 1.02 O ATOM 336 CG2 THR A 29 2.925 6.312 -5.279 1.00 0.74 C ATOM 0 H THR A 29 2.273 8.936 -2.734 1.00 0.63 H new ATOM 0 HA THR A 29 4.465 7.841 -4.028 1.00 0.67 H new ATOM 0 HB THR A 29 2.170 8.251 -5.748 1.00 0.69 H new ATOM 0 HG1 THR A 29 1.747 7.095 -3.141 1.00 1.02 H new ATOM 0 HG21 THR A 29 2.073 5.777 -5.698 1.00 0.74 H new ATOM 0 HG22 THR A 29 3.713 6.383 -6.029 1.00 0.74 H new ATOM 0 HG23 THR A 29 3.300 5.773 -4.409 1.00 0.74 H new ATOM 341 N GLY A 30 3.679 10.763 -5.194 1.00 0.60 N ATOM 342 CA GLY A 30 4.125 11.783 -6.123 1.00 0.64 C ATOM 343 C GLY A 30 5.490 12.327 -5.757 1.00 0.66 C ATOM 344 O GLY A 30 6.245 12.762 -6.627 1.00 0.72 O ATOM 0 H GLY A 30 2.998 11.075 -4.501 1.00 0.60 H new ATOM 0 HA2 GLY A 30 4.159 11.366 -7.130 1.00 0.64 H new ATOM 0 HA3 GLY A 30 3.402 12.599 -6.140 1.00 0.64 H new ATOM 348 N ALA A 31 5.809 12.304 -4.466 1.00 0.65 N ATOM 349 CA ALA A 31 7.096 12.797 -3.992 1.00 0.73 C ATOM 350 C ALA A 31 8.177 11.717 -4.060 1.00 0.75 C ATOM 351 O ALA A 31 9.340 11.979 -3.752 1.00 0.83 O ATOM 352 CB ALA A 31 6.964 13.321 -2.570 1.00 0.82 C ATOM 0 H ALA A 31 5.195 11.950 -3.732 1.00 0.65 H new ATOM 0 HA ALA A 31 7.402 13.611 -4.649 1.00 0.73 H new ATOM 0 HB1 ALA A 31 7.931 13.687 -2.226 1.00 0.82 H new ATOM 0 HB2 ALA A 31 6.239 14.135 -2.548 1.00 0.82 H new ATOM 0 HB3 ALA A 31 6.626 12.517 -1.916 1.00 0.82 H new ATOM 358 N VAL A 32 7.796 10.501 -4.457 1.00 0.76 N ATOM 359 CA VAL A 32 8.758 9.402 -4.547 1.00 0.87 C ATOM 360 C VAL A 32 9.303 9.228 -5.963 1.00 0.91 C ATOM 361 O VAL A 32 10.516 9.165 -6.163 1.00 1.03 O ATOM 362 CB VAL A 32 8.165 8.054 -4.068 1.00 1.04 C ATOM 363 CG1 VAL A 32 6.718 7.906 -4.494 1.00 1.07 C ATOM 364 CG2 VAL A 32 8.989 6.879 -4.586 1.00 1.23 C ATOM 0 H VAL A 32 6.841 10.255 -4.718 1.00 0.76 H new ATOM 0 HA VAL A 32 9.575 9.681 -3.882 1.00 0.87 H new ATOM 0 HB VAL A 32 8.202 8.051 -2.979 1.00 1.04 H new ATOM 0 HG11 VAL A 32 6.331 6.950 -4.142 1.00 1.07 H new ATOM 0 HG12 VAL A 32 6.128 8.716 -4.065 1.00 1.07 H new ATOM 0 HG13 VAL A 32 6.653 7.946 -5.581 1.00 1.07 H new ATOM 0 HG21 VAL A 32 8.551 5.945 -4.235 1.00 1.23 H new ATOM 0 HG22 VAL A 32 8.994 6.891 -5.676 1.00 1.23 H new ATOM 0 HG23 VAL A 32 10.012 6.961 -4.218 1.00 1.23 H new ATOM 368 N GLN A 33 8.410 9.119 -6.938 1.00 0.90 N ATOM 369 CA GLN A 33 8.824 8.915 -8.322 1.00 1.04 C ATOM 370 C GLN A 33 8.296 10.007 -9.252 1.00 1.07 C ATOM 371 O GLN A 33 7.821 9.712 -10.348 1.00 1.22 O ATOM 372 CB GLN A 33 8.349 7.547 -8.809 1.00 1.22 C ATOM 373 CG GLN A 33 8.988 6.382 -8.070 1.00 1.37 C ATOM 374 CD GLN A 33 9.558 5.336 -9.009 1.00 1.19 C ATOM 375 OE1 GLN A 33 10.241 5.664 -9.979 1.00 1.67 O ATOM 376 NE2 GLN A 33 9.278 4.069 -8.723 1.00 1.88 N ATOM 0 H GLN A 33 7.401 9.168 -6.799 1.00 0.90 H new ATOM 0 HA GLN A 33 9.913 8.963 -8.347 1.00 1.04 H new ATOM 0 HB2 GLN A 33 7.266 7.487 -8.698 1.00 1.22 H new ATOM 0 HB3 GLN A 33 8.566 7.454 -9.873 1.00 1.22 H new ATOM 0 HG2 GLN A 33 9.783 6.758 -7.426 1.00 1.37 H new ATOM 0 HG3 GLN A 33 8.245 5.917 -7.422 1.00 1.37 H new ATOM 0 HE21 GLN A 33 8.708 3.844 -7.908 1.00 1.88 H new ATOM 0 HE22 GLN A 33 9.634 3.321 -9.319 1.00 1.88 H new ATOM 383 N PRO A 34 8.383 11.285 -8.846 1.00 1.04 N ATOM 384 CA PRO A 34 7.918 12.392 -9.681 1.00 1.23 C ATOM 385 C PRO A 34 8.552 12.340 -11.067 1.00 1.50 C ATOM 386 O PRO A 34 7.857 12.320 -12.083 1.00 1.84 O ATOM 387 CB PRO A 34 8.369 13.649 -8.920 1.00 1.29 C ATOM 388 CG PRO A 34 9.340 13.171 -7.892 1.00 1.15 C ATOM 389 CD PRO A 34 8.954 11.756 -7.577 1.00 0.96 C ATOM 0 HA PRO A 34 6.841 12.364 -9.846 1.00 1.23 H new ATOM 0 HB2 PRO A 34 8.834 14.369 -9.593 1.00 1.29 H new ATOM 0 HB3 PRO A 34 7.521 14.150 -8.454 1.00 1.29 H new ATOM 0 HG2 PRO A 34 10.362 13.221 -8.269 1.00 1.15 H new ATOM 0 HG3 PRO A 34 9.299 13.794 -6.998 1.00 1.15 H new ATOM 0 HD2 PRO A 34 9.815 11.160 -7.275 1.00 0.96 H new ATOM 0 HD3 PRO A 34 8.230 11.706 -6.764 1.00 0.96 H new ATOM 397 N GLU A 35 9.880 12.296 -11.095 1.00 1.43 N ATOM 398 CA GLU A 35 10.623 12.218 -12.347 1.00 1.69 C ATOM 399 C GLU A 35 11.434 10.926 -12.407 1.00 1.95 C ATOM 400 O GLU A 35 12.506 10.882 -13.011 1.00 2.55 O ATOM 401 CB GLU A 35 11.549 13.426 -12.494 1.00 1.58 C ATOM 402 CG GLU A 35 11.972 13.695 -13.929 1.00 2.20 C ATOM 403 CD GLU A 35 12.827 14.941 -14.061 1.00 2.95 C ATOM 404 OE1 GLU A 35 13.405 15.375 -13.041 1.00 3.53 O ATOM 405 OE2 GLU A 35 12.920 15.481 -15.183 1.00 3.47 O ATOM 0 H GLU A 35 10.466 12.313 -10.260 1.00 1.43 H new ATOM 0 HA GLU A 35 9.909 12.221 -13.171 1.00 1.69 H new ATOM 0 HB2 GLU A 35 11.046 14.309 -12.100 1.00 1.58 H new ATOM 0 HB3 GLU A 35 12.439 13.268 -11.885 1.00 1.58 H new ATOM 0 HG2 GLU A 35 12.527 12.836 -14.307 1.00 2.20 H new ATOM 0 HG3 GLU A 35 11.084 13.801 -14.552 1.00 2.20 H new ATOM 412 N GLY A 36 10.925 9.878 -11.760 1.00 1.77 N ATOM 413 CA GLY A 36 11.626 8.605 -11.737 1.00 2.19 C ATOM 414 C GLY A 36 11.100 7.609 -12.755 1.00 1.74 C ATOM 415 O GLY A 36 10.535 7.991 -13.780 1.00 1.77 O ATOM 0 H GLY A 36 10.040 9.889 -11.252 1.00 1.77 H new ATOM 0 HA2 GLY A 36 12.686 8.779 -11.924 1.00 2.19 H new ATOM 0 HA3 GLY A 36 11.545 8.172 -10.740 1.00 2.19 H new ATOM 419 N ASN A 37 11.300 6.324 -12.467 1.00 2.06 N ATOM 420 CA ASN A 37 10.859 5.253 -13.356 1.00 2.08 C ATOM 421 C ASN A 37 9.378 4.942 -13.161 1.00 1.73 C ATOM 422 O ASN A 37 8.698 5.579 -12.355 1.00 1.94 O ATOM 423 CB ASN A 37 11.692 3.992 -13.114 1.00 3.12 C ATOM 424 CG ASN A 37 12.812 3.836 -14.124 1.00 3.90 C ATOM 425 OD1 ASN A 37 13.487 4.804 -14.475 1.00 4.50 O ATOM 426 ND2 ASN A 37 13.016 2.611 -14.597 1.00 4.34 N ATOM 0 H ASN A 37 11.767 5.999 -11.620 1.00 2.06 H new ATOM 0 HA ASN A 37 11.002 5.591 -14.383 1.00 2.08 H new ATOM 0 HB2 ASN A 37 12.114 4.026 -12.110 1.00 3.12 H new ATOM 0 HB3 ASN A 37 11.043 3.117 -13.157 1.00 3.12 H new ATOM 0 HD21 ASN A 37 13.756 2.444 -15.279 1.00 4.34 H new ATOM 0 HD22 ASN A 37 12.432 1.837 -14.278 1.00 4.34 H new ATOM 431 N GLU A 38 8.884 3.961 -13.912 1.00 1.77 N ATOM 432 CA GLU A 38 7.483 3.562 -13.836 1.00 1.76 C ATOM 433 C GLU A 38 7.284 2.419 -12.844 1.00 1.90 C ATOM 434 O GLU A 38 8.172 1.587 -12.654 1.00 2.28 O ATOM 435 CB GLU A 38 6.981 3.141 -15.219 1.00 2.18 C ATOM 436 CG GLU A 38 5.477 2.937 -15.289 1.00 2.12 C ATOM 437 CD GLU A 38 5.078 1.876 -16.295 1.00 2.42 C ATOM 438 OE1 GLU A 38 5.650 1.866 -17.406 1.00 2.88 O ATOM 439 OE2 GLU A 38 4.194 1.054 -15.974 1.00 2.81 O ATOM 0 H GLU A 38 9.436 3.426 -14.582 1.00 1.77 H new ATOM 0 HA GLU A 38 6.909 4.420 -13.486 1.00 1.76 H new ATOM 0 HB2 GLU A 38 7.270 3.900 -15.947 1.00 2.18 H new ATOM 0 HB3 GLU A 38 7.478 2.215 -15.509 1.00 2.18 H new ATOM 0 HG2 GLU A 38 5.106 2.655 -14.303 1.00 2.12 H new ATOM 0 HG3 GLU A 38 4.998 3.880 -15.552 1.00 2.12 H new ATOM 446 N VAL A 39 6.109 2.378 -12.215 1.00 1.79 N ATOM 447 CA VAL A 39 5.796 1.326 -11.248 1.00 2.04 C ATOM 448 C VAL A 39 4.287 1.173 -11.062 1.00 1.58 C ATOM 449 O VAL A 39 3.507 1.996 -11.543 1.00 1.86 O ATOM 450 CB VAL A 39 6.449 1.601 -9.880 1.00 2.80 C ATOM 451 CG1 VAL A 39 7.938 1.295 -9.929 1.00 3.56 C ATOM 452 CG2 VAL A 39 6.208 3.039 -9.450 1.00 3.20 C ATOM 0 H VAL A 39 5.362 3.058 -12.357 1.00 1.79 H new ATOM 0 HA VAL A 39 6.202 0.399 -11.653 1.00 2.04 H new ATOM 0 HB VAL A 39 5.989 0.945 -9.141 1.00 2.80 H new ATOM 0 HG11 VAL A 39 8.383 1.495 -8.954 1.00 3.56 H new ATOM 0 HG12 VAL A 39 8.086 0.246 -10.187 1.00 3.56 H new ATOM 0 HG13 VAL A 39 8.414 1.924 -10.681 1.00 3.56 H new ATOM 0 HG21 VAL A 39 6.677 3.213 -8.482 1.00 3.20 H new ATOM 0 HG22 VAL A 39 6.638 3.716 -10.188 1.00 3.20 H new ATOM 0 HG23 VAL A 39 5.136 3.221 -9.372 1.00 3.20 H new ATOM 456 N GLU A 40 3.881 0.110 -10.368 1.00 1.19 N ATOM 457 CA GLU A 40 2.463 -0.152 -10.128 1.00 0.87 C ATOM 458 C GLU A 40 2.215 -0.605 -8.689 1.00 0.72 C ATOM 459 O GLU A 40 2.506 -1.747 -8.328 1.00 0.71 O ATOM 460 CB GLU A 40 1.951 -1.218 -11.098 1.00 0.85 C ATOM 461 CG GLU A 40 0.462 -1.497 -10.968 1.00 0.98 C ATOM 462 CD GLU A 40 -0.155 -1.987 -12.263 1.00 1.62 C ATOM 463 OE1 GLU A 40 0.315 -1.566 -13.341 1.00 2.29 O ATOM 464 OE2 GLU A 40 -1.109 -2.790 -12.200 1.00 2.10 O ATOM 0 H GLU A 40 4.512 -0.582 -9.963 1.00 1.19 H new ATOM 0 HA GLU A 40 1.922 0.780 -10.292 1.00 0.87 H new ATOM 0 HB2 GLU A 40 2.165 -0.901 -12.119 1.00 0.85 H new ATOM 0 HB3 GLU A 40 2.501 -2.144 -10.930 1.00 0.85 H new ATOM 0 HG2 GLU A 40 0.303 -2.243 -10.189 1.00 0.98 H new ATOM 0 HG3 GLU A 40 -0.048 -0.588 -10.648 1.00 0.98 H new ATOM 471 N MET A 41 1.669 0.296 -7.872 1.00 0.77 N ATOM 472 CA MET A 41 1.378 -0.016 -6.473 1.00 0.73 C ATOM 473 C MET A 41 -0.094 0.228 -6.142 1.00 0.68 C ATOM 474 O MET A 41 -0.532 1.371 -5.999 1.00 0.72 O ATOM 475 CB MET A 41 2.264 0.822 -5.545 1.00 0.88 C ATOM 476 CG MET A 41 2.387 0.254 -4.140 1.00 1.06 C ATOM 477 SD MET A 41 2.533 1.538 -2.881 1.00 1.42 S ATOM 478 CE MET A 41 4.313 1.626 -2.679 1.00 1.11 C ATOM 0 H MET A 41 1.420 1.244 -8.154 1.00 0.77 H new ATOM 0 HA MET A 41 1.592 -1.074 -6.318 1.00 0.73 H new ATOM 0 HB2 MET A 41 3.259 0.903 -5.983 1.00 0.88 H new ATOM 0 HB3 MET A 41 1.859 1.832 -5.485 1.00 0.88 H new ATOM 0 HG2 MET A 41 1.515 -0.363 -3.924 1.00 1.06 H new ATOM 0 HG3 MET A 41 3.259 -0.398 -4.091 1.00 1.06 H new ATOM 0 HE1 MET A 41 4.552 2.286 -1.846 1.00 1.11 H new ATOM 0 HE2 MET A 41 4.706 0.630 -2.477 1.00 1.11 H new ATOM 0 HE3 MET A 41 4.764 2.016 -3.592 1.00 1.11 H new ATOM 488 N THR A 42 -0.851 -0.856 -6.013 1.00 0.81 N ATOM 489 CA THR A 42 -2.271 -0.764 -5.689 1.00 0.79 C ATOM 490 C THR A 42 -2.486 -0.953 -4.189 1.00 0.77 C ATOM 491 O THR A 42 -1.780 -1.730 -3.548 1.00 1.11 O ATOM 492 CB THR A 42 -3.065 -1.813 -6.473 1.00 0.95 C ATOM 493 OG1 THR A 42 -2.194 -2.718 -7.128 1.00 0.97 O ATOM 494 CG2 THR A 42 -3.973 -1.212 -7.524 1.00 1.61 C ATOM 0 H THR A 42 -0.506 -1.809 -6.128 1.00 0.81 H new ATOM 0 HA THR A 42 -2.628 0.227 -5.971 1.00 0.79 H new ATOM 0 HB THR A 42 -3.679 -2.323 -5.731 1.00 0.95 H new ATOM 0 HG1 THR A 42 -2.721 -3.381 -7.621 1.00 0.97 H new ATOM 0 HG21 THR A 42 -4.506 -2.009 -8.043 1.00 1.61 H new ATOM 0 HG22 THR A 42 -4.691 -0.546 -7.046 1.00 1.61 H new ATOM 0 HG23 THR A 42 -3.376 -0.648 -8.241 1.00 1.61 H new ATOM 499 N VAL A 43 -3.455 -0.232 -3.631 1.00 0.65 N ATOM 500 CA VAL A 43 -3.740 -0.327 -2.203 1.00 0.64 C ATOM 501 C VAL A 43 -5.208 -0.045 -1.899 1.00 0.58 C ATOM 502 O VAL A 43 -5.830 0.833 -2.503 1.00 0.71 O ATOM 503 CB VAL A 43 -2.864 0.646 -1.391 1.00 0.75 C ATOM 504 CG1 VAL A 43 -3.008 0.382 0.102 1.00 1.53 C ATOM 505 CG2 VAL A 43 -1.408 0.541 -1.822 1.00 1.51 C ATOM 0 H VAL A 43 -4.051 0.419 -4.141 1.00 0.65 H new ATOM 0 HA VAL A 43 -3.509 -1.351 -1.910 1.00 0.64 H new ATOM 0 HB VAL A 43 -3.205 1.662 -1.589 1.00 0.75 H new ATOM 0 HG11 VAL A 43 -2.381 1.080 0.657 1.00 1.53 H new ATOM 0 HG12 VAL A 43 -4.049 0.516 0.396 1.00 1.53 H new ATOM 0 HG13 VAL A 43 -2.697 -0.639 0.323 1.00 1.53 H new ATOM 0 HG21 VAL A 43 -0.805 1.236 -1.238 1.00 1.51 H new ATOM 0 HG22 VAL A 43 -1.052 -0.476 -1.657 1.00 1.51 H new ATOM 0 HG23 VAL A 43 -1.323 0.788 -2.880 1.00 1.51 H new ATOM 509 N ARG A 44 -5.759 -0.794 -0.953 1.00 0.55 N ATOM 510 CA ARG A 44 -7.150 -0.626 -0.564 1.00 0.54 C ATOM 511 C ARG A 44 -7.324 -0.815 0.940 1.00 0.57 C ATOM 512 O ARG A 44 -6.749 -1.729 1.535 1.00 0.69 O ATOM 513 CB ARG A 44 -8.037 -1.615 -1.323 1.00 0.61 C ATOM 514 CG ARG A 44 -8.787 -0.988 -2.486 1.00 1.19 C ATOM 515 CD ARG A 44 -9.836 -1.933 -3.048 1.00 1.98 C ATOM 516 NE ARG A 44 -10.862 -1.223 -3.809 1.00 2.48 N ATOM 517 CZ ARG A 44 -10.696 -0.798 -5.058 1.00 3.13 C ATOM 518 NH1 ARG A 44 -9.548 -1.005 -5.690 1.00 3.54 N ATOM 519 NH2 ARG A 44 -11.681 -0.163 -5.679 1.00 3.77 N ATOM 0 H ARG A 44 -5.263 -1.524 -0.442 1.00 0.55 H new ATOM 0 HA ARG A 44 -7.451 0.390 -0.819 1.00 0.54 H new ATOM 0 HB2 ARG A 44 -7.419 -2.431 -1.697 1.00 0.61 H new ATOM 0 HB3 ARG A 44 -8.756 -2.051 -0.630 1.00 0.61 H new ATOM 0 HG2 ARG A 44 -9.266 -0.066 -2.156 1.00 1.19 H new ATOM 0 HG3 ARG A 44 -8.081 -0.718 -3.272 1.00 1.19 H new ATOM 0 HD2 ARG A 44 -9.353 -2.670 -3.690 1.00 1.98 H new ATOM 0 HD3 ARG A 44 -10.305 -2.481 -2.231 1.00 1.98 H new ATOM 0 HE ARG A 44 -11.758 -1.043 -3.356 1.00 2.48 H new ATOM 0 HH11 ARG A 44 -8.787 -1.493 -5.218 1.00 3.54 H new ATOM 0 HH12 ARG A 44 -9.427 -0.677 -6.648 1.00 3.54 H new ATOM 0 HH21 ARG A 44 -12.566 -0.001 -5.198 1.00 3.77 H new ATOM 0 HH22 ARG A 44 -11.554 0.163 -6.637 1.00 3.77 H new ATOM 533 N ILE A 45 -8.134 0.045 1.547 1.00 0.55 N ATOM 534 CA ILE A 45 -8.395 -0.045 2.978 1.00 0.61 C ATOM 535 C ILE A 45 -9.879 -0.292 3.230 1.00 0.59 C ATOM 536 O ILE A 45 -10.694 0.628 3.165 1.00 0.60 O ATOM 537 CB ILE A 45 -7.947 1.221 3.751 1.00 0.71 C ATOM 538 CG1 ILE A 45 -7.497 2.333 2.795 1.00 0.59 C ATOM 539 CG2 ILE A 45 -6.833 0.873 4.729 1.00 0.94 C ATOM 540 CD1 ILE A 45 -6.100 2.143 2.237 1.00 0.63 C ATOM 0 H ILE A 45 -8.618 0.808 1.074 1.00 0.55 H new ATOM 0 HA ILE A 45 -7.805 -0.883 3.349 1.00 0.61 H new ATOM 0 HB ILE A 45 -8.805 1.595 4.310 1.00 0.71 H new ATOM 0 HG12 ILE A 45 -8.203 2.392 1.966 1.00 0.59 H new ATOM 0 HG13 ILE A 45 -7.540 3.288 3.319 1.00 0.59 H new ATOM 0 HG21 ILE A 45 -6.527 1.771 5.266 1.00 0.94 H new ATOM 0 HG22 ILE A 45 -7.192 0.129 5.440 1.00 0.94 H new ATOM 0 HG23 ILE A 45 -5.981 0.469 4.182 1.00 0.94 H new ATOM 0 HD11 ILE A 45 -5.859 2.971 1.571 1.00 0.63 H new ATOM 0 HD12 ILE A 45 -5.382 2.115 3.056 1.00 0.63 H new ATOM 0 HD13 ILE A 45 -6.054 1.206 1.682 1.00 0.63 H new ATOM 544 N VAL A 46 -10.219 -1.546 3.506 1.00 0.63 N ATOM 545 CA VAL A 46 -11.603 -1.930 3.755 1.00 0.63 C ATOM 546 C VAL A 46 -11.716 -2.763 5.030 1.00 0.64 C ATOM 547 O VAL A 46 -10.713 -3.248 5.554 1.00 0.68 O ATOM 548 CB VAL A 46 -12.170 -2.731 2.563 1.00 0.70 C ATOM 549 CG1 VAL A 46 -11.378 -4.012 2.348 1.00 1.21 C ATOM 550 CG2 VAL A 46 -13.647 -3.034 2.762 1.00 1.52 C ATOM 0 H VAL A 46 -9.553 -2.316 3.563 1.00 0.63 H new ATOM 0 HA VAL A 46 -12.183 -1.016 3.878 1.00 0.63 H new ATOM 0 HB VAL A 46 -12.072 -2.117 1.668 1.00 0.70 H new ATOM 0 HG11 VAL A 46 -11.795 -4.560 1.503 1.00 1.21 H new ATOM 0 HG12 VAL A 46 -10.336 -3.766 2.142 1.00 1.21 H new ATOM 0 HG13 VAL A 46 -11.434 -4.629 3.245 1.00 1.21 H new ATOM 0 HG21 VAL A 46 -14.021 -3.599 1.908 1.00 1.52 H new ATOM 0 HG22 VAL A 46 -13.779 -3.621 3.671 1.00 1.52 H new ATOM 0 HG23 VAL A 46 -14.201 -2.100 2.850 1.00 1.52 H new ATOM 554 N ASP A 47 -12.940 -2.923 5.529 1.00 0.66 N ATOM 555 CA ASP A 47 -13.178 -3.695 6.746 1.00 0.71 C ATOM 556 C ASP A 47 -12.440 -5.032 6.702 1.00 0.74 C ATOM 557 O ASP A 47 -12.033 -5.494 5.636 1.00 0.81 O ATOM 558 CB ASP A 47 -14.679 -3.933 6.936 1.00 0.75 C ATOM 559 CG ASP A 47 -15.295 -2.964 7.925 1.00 1.35 C ATOM 560 OD1 ASP A 47 -15.232 -1.741 7.678 1.00 2.11 O ATOM 561 OD2 ASP A 47 -15.840 -3.429 8.949 1.00 1.88 O ATOM 0 H ASP A 47 -13.782 -2.528 5.109 1.00 0.66 H new ATOM 0 HA ASP A 47 -12.796 -3.121 7.590 1.00 0.71 H new ATOM 0 HB2 ASP A 47 -15.184 -3.838 5.975 1.00 0.75 H new ATOM 0 HB3 ASP A 47 -14.842 -4.954 7.282 1.00 0.75 H new ATOM 566 N GLU A 48 -12.264 -5.639 7.869 1.00 0.76 N ATOM 567 CA GLU A 48 -11.565 -6.914 7.973 1.00 0.82 C ATOM 568 C GLU A 48 -12.346 -8.039 7.295 1.00 0.79 C ATOM 569 O GLU A 48 -11.781 -8.829 6.539 1.00 0.83 O ATOM 570 CB GLU A 48 -11.318 -7.259 9.444 1.00 0.92 C ATOM 571 CG GLU A 48 -12.591 -7.434 10.253 1.00 1.39 C ATOM 572 CD GLU A 48 -12.385 -7.158 11.730 1.00 1.59 C ATOM 573 OE1 GLU A 48 -11.355 -7.602 12.279 1.00 2.30 O ATOM 574 OE2 GLU A 48 -13.255 -6.500 12.338 1.00 1.81 O ATOM 0 H GLU A 48 -12.597 -5.268 8.759 1.00 0.76 H new ATOM 0 HA GLU A 48 -10.609 -6.814 7.459 1.00 0.82 H new ATOM 0 HB2 GLU A 48 -10.734 -8.178 9.499 1.00 0.92 H new ATOM 0 HB3 GLU A 48 -10.716 -6.471 9.897 1.00 0.92 H new ATOM 0 HG2 GLU A 48 -13.359 -6.764 9.865 1.00 1.39 H new ATOM 0 HG3 GLU A 48 -12.962 -8.451 10.125 1.00 1.39 H new ATOM 581 N ALA A 49 -13.643 -8.111 7.574 1.00 0.86 N ATOM 582 CA ALA A 49 -14.495 -9.145 6.994 1.00 0.89 C ATOM 583 C ALA A 49 -14.499 -9.077 5.470 1.00 0.83 C ATOM 584 O ALA A 49 -14.332 -10.091 4.791 1.00 0.80 O ATOM 585 CB ALA A 49 -15.912 -9.019 7.531 1.00 0.99 C ATOM 0 H ALA A 49 -14.128 -7.466 8.198 1.00 0.86 H new ATOM 0 HA ALA A 49 -14.088 -10.114 7.282 1.00 0.89 H new ATOM 0 HB1 ALA A 49 -16.538 -9.795 7.091 1.00 0.99 H new ATOM 0 HB2 ALA A 49 -15.902 -9.132 8.615 1.00 0.99 H new ATOM 0 HB3 ALA A 49 -16.313 -8.039 7.272 1.00 0.99 H new ATOM 591 N GLU A 50 -14.698 -7.876 4.943 1.00 0.87 N ATOM 592 CA GLU A 50 -14.735 -7.662 3.497 1.00 0.88 C ATOM 593 C GLU A 50 -13.535 -8.307 2.807 1.00 0.84 C ATOM 594 O GLU A 50 -13.694 -9.197 1.972 1.00 0.85 O ATOM 595 CB GLU A 50 -14.769 -6.165 3.185 1.00 0.98 C ATOM 596 CG GLU A 50 -15.908 -5.427 3.869 1.00 1.52 C ATOM 597 CD GLU A 50 -17.263 -6.038 3.570 1.00 1.54 C ATOM 598 OE1 GLU A 50 -17.689 -5.990 2.396 1.00 2.17 O ATOM 599 OE2 GLU A 50 -17.897 -6.566 4.508 1.00 1.85 O ATOM 0 H GLU A 50 -14.837 -7.030 5.496 1.00 0.87 H new ATOM 0 HA GLU A 50 -15.641 -8.133 3.115 1.00 0.88 H new ATOM 0 HB2 GLU A 50 -13.823 -5.717 3.489 1.00 0.98 H new ATOM 0 HB3 GLU A 50 -14.854 -6.029 2.107 1.00 0.98 H new ATOM 0 HG2 GLU A 50 -15.742 -5.430 4.946 1.00 1.52 H new ATOM 0 HG3 GLU A 50 -15.905 -4.385 3.549 1.00 1.52 H new ATOM 606 N SER A 51 -12.337 -7.851 3.158 1.00 0.87 N ATOM 607 CA SER A 51 -11.111 -8.382 2.569 1.00 0.92 C ATOM 608 C SER A 51 -11.053 -9.901 2.697 1.00 0.84 C ATOM 609 O SER A 51 -10.882 -10.612 1.704 1.00 0.83 O ATOM 610 CB SER A 51 -9.888 -7.757 3.242 1.00 1.04 C ATOM 611 OG SER A 51 -9.834 -8.095 4.617 1.00 1.90 O ATOM 0 H SER A 51 -12.188 -7.114 3.848 1.00 0.87 H new ATOM 0 HA SER A 51 -11.109 -8.127 1.509 1.00 0.92 H new ATOM 0 HB2 SER A 51 -8.981 -8.099 2.744 1.00 1.04 H new ATOM 0 HB3 SER A 51 -9.923 -6.673 3.132 1.00 1.04 H new ATOM 0 HG SER A 51 -9.043 -7.685 5.024 1.00 1.90 H new ATOM 617 N HIS A 52 -11.197 -10.391 3.925 1.00 0.86 N ATOM 618 CA HIS A 52 -11.162 -11.826 4.191 1.00 0.86 C ATOM 619 C HIS A 52 -12.190 -12.564 3.343 1.00 0.83 C ATOM 620 O HIS A 52 -11.991 -13.724 2.978 1.00 0.90 O ATOM 621 CB HIS A 52 -11.405 -12.088 5.674 1.00 0.94 C ATOM 622 CG HIS A 52 -10.529 -11.261 6.560 1.00 0.99 C ATOM 623 ND1 HIS A 52 -10.839 -10.967 7.868 1.00 1.39 N ATOM 624 CD2 HIS A 52 -9.343 -10.660 6.309 1.00 1.61 C ATOM 625 CE1 HIS A 52 -9.881 -10.218 8.385 1.00 1.28 C ATOM 626 NE2 HIS A 52 -8.961 -10.017 7.460 1.00 1.39 N ATOM 0 H HIS A 52 -11.339 -9.814 4.754 1.00 0.86 H new ATOM 0 HA HIS A 52 -10.175 -12.202 3.923 1.00 0.86 H new ATOM 0 HB2 HIS A 52 -12.449 -11.882 5.908 1.00 0.94 H new ATOM 0 HB3 HIS A 52 -11.234 -13.144 5.885 1.00 0.94 H new ATOM 0 HD1 HIS A 52 -11.676 -11.278 8.361 1.00 1.39 H new ATOM 0 HD2 HIS A 52 -8.798 -10.682 5.377 1.00 1.61 H new ATOM 0 HE1 HIS A 52 -9.855 -9.835 9.394 1.00 1.28 H new ATOM 635 N GLU A 53 -13.276 -11.881 3.009 1.00 0.86 N ATOM 636 CA GLU A 53 -14.313 -12.471 2.179 1.00 0.95 C ATOM 637 C GLU A 53 -13.932 -12.326 0.710 1.00 0.94 C ATOM 638 O GLU A 53 -14.209 -13.202 -0.109 1.00 0.95 O ATOM 639 CB GLU A 53 -15.662 -11.798 2.443 1.00 1.10 C ATOM 640 CG GLU A 53 -16.459 -12.450 3.562 1.00 1.68 C ATOM 641 CD GLU A 53 -17.956 -12.309 3.370 1.00 2.38 C ATOM 642 OE1 GLU A 53 -18.491 -12.908 2.414 1.00 3.10 O ATOM 643 OE2 GLU A 53 -18.594 -11.598 4.175 1.00 2.71 O ATOM 0 H GLU A 53 -13.460 -10.921 3.300 1.00 0.86 H new ATOM 0 HA GLU A 53 -14.405 -13.529 2.426 1.00 0.95 H new ATOM 0 HB2 GLU A 53 -15.493 -10.750 2.691 1.00 1.10 H new ATOM 0 HB3 GLU A 53 -16.254 -11.818 1.528 1.00 1.10 H new ATOM 0 HG2 GLU A 53 -16.202 -13.508 3.618 1.00 1.68 H new ATOM 0 HG3 GLU A 53 -16.175 -12.002 4.514 1.00 1.68 H new ATOM 650 N LEU A 54 -13.285 -11.208 0.396 1.00 0.95 N ATOM 651 CA LEU A 54 -12.847 -10.922 -0.964 1.00 1.00 C ATOM 652 C LEU A 54 -11.786 -11.918 -1.421 1.00 0.89 C ATOM 653 O LEU A 54 -11.965 -12.621 -2.415 1.00 0.93 O ATOM 654 CB LEU A 54 -12.274 -9.503 -1.032 1.00 1.06 C ATOM 655 CG LEU A 54 -13.149 -8.474 -1.747 1.00 1.15 C ATOM 656 CD1 LEU A 54 -13.172 -8.741 -3.243 1.00 1.23 C ATOM 657 CD2 LEU A 54 -14.560 -8.484 -1.181 1.00 1.24 C ATOM 0 H LEU A 54 -13.051 -10.481 1.072 1.00 0.95 H new ATOM 0 HA LEU A 54 -13.709 -11.008 -1.625 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -12.091 -9.155 -0.016 1.00 1.06 H new ATOM 0 HB3 LEU A 54 -11.307 -9.544 -1.534 1.00 1.06 H new ATOM 0 HG LEU A 54 -12.721 -7.486 -1.580 1.00 1.15 H new ATOM 0 HD11 LEU A 54 -13.800 -7.999 -3.735 1.00 1.23 H new ATOM 0 HD12 LEU A 54 -12.158 -8.679 -3.639 1.00 1.23 H new ATOM 0 HD13 LEU A 54 -13.574 -9.737 -3.429 1.00 1.23 H new ATOM 0 HD21 LEU A 54 -15.167 -7.744 -1.703 1.00 1.24 H new ATOM 0 HD22 LEU A 54 -14.999 -9.473 -1.314 1.00 1.24 H new ATOM 0 HD23 LEU A 54 -14.528 -8.242 -0.119 1.00 1.24 H new ATOM 663 N ASN A 55 -10.676 -11.960 -0.691 1.00 0.78 N ATOM 664 CA ASN A 55 -9.573 -12.854 -1.020 1.00 0.71 C ATOM 665 C ASN A 55 -10.030 -14.306 -1.084 1.00 0.69 C ATOM 666 O ASN A 55 -9.745 -15.013 -2.053 1.00 0.74 O ATOM 667 CB ASN A 55 -8.446 -12.699 0.002 1.00 0.68 C ATOM 668 CG ASN A 55 -8.939 -12.826 1.431 1.00 1.33 C ATOM 669 OD1 ASN A 55 -10.136 -12.953 1.669 1.00 2.28 O ATOM 670 ND2 ASN A 55 -8.020 -12.793 2.394 1.00 1.42 N ATOM 0 H ASN A 55 -10.517 -11.383 0.135 1.00 0.78 H new ATOM 0 HA ASN A 55 -9.202 -12.578 -2.007 1.00 0.71 H new ATOM 0 HB2 ASN A 55 -7.683 -13.455 -0.185 1.00 0.68 H new ATOM 0 HB3 ASN A 55 -7.970 -11.727 -0.130 1.00 0.68 H new ATOM 0 HD21 ASN A 55 -8.302 -12.875 3.371 1.00 1.42 H new ATOM 0 HD22 ASN A 55 -7.034 -12.686 2.155 1.00 1.42 H new ATOM 675 N LEU A 56 -10.736 -14.752 -0.054 1.00 0.71 N ATOM 676 CA LEU A 56 -11.220 -16.125 -0.018 1.00 0.79 C ATOM 677 C LEU A 56 -12.212 -16.367 -1.141 1.00 0.87 C ATOM 678 O LEU A 56 -12.140 -17.380 -1.835 1.00 0.97 O ATOM 679 CB LEU A 56 -11.852 -16.444 1.339 1.00 0.84 C ATOM 680 CG LEU A 56 -10.884 -16.974 2.400 1.00 0.89 C ATOM 681 CD1 LEU A 56 -9.652 -16.087 2.498 1.00 0.91 C ATOM 682 CD2 LEU A 56 -11.573 -17.070 3.750 1.00 0.92 C ATOM 0 H LEU A 56 -10.984 -14.190 0.760 1.00 0.71 H new ATOM 0 HA LEU A 56 -10.369 -16.791 -0.159 1.00 0.79 H new ATOM 0 HB2 LEU A 56 -12.327 -15.541 1.722 1.00 0.84 H new ATOM 0 HB3 LEU A 56 -12.642 -17.181 1.190 1.00 0.84 H new ATOM 0 HG LEU A 56 -10.566 -17.972 2.100 1.00 0.89 H new ATOM 0 HD11 LEU A 56 -8.978 -16.483 3.258 1.00 0.91 H new ATOM 0 HD12 LEU A 56 -9.141 -16.066 1.535 1.00 0.91 H new ATOM 0 HD13 LEU A 56 -9.953 -15.075 2.771 1.00 0.91 H new ATOM 0 HD21 LEU A 56 -10.869 -17.449 4.491 1.00 0.92 H new ATOM 0 HD22 LEU A 56 -11.922 -16.082 4.052 1.00 0.92 H new ATOM 0 HD23 LEU A 56 -12.423 -17.748 3.677 1.00 0.92 H new ATOM 688 N THR A 57 -13.121 -15.419 -1.342 1.00 0.93 N ATOM 689 CA THR A 57 -14.094 -15.538 -2.416 1.00 1.09 C ATOM 690 C THR A 57 -13.361 -15.657 -3.751 1.00 1.14 C ATOM 691 O THR A 57 -13.902 -16.172 -4.729 1.00 1.27 O ATOM 692 CB THR A 57 -15.036 -14.330 -2.428 1.00 1.23 C ATOM 693 OG1 THR A 57 -15.952 -14.400 -1.350 1.00 1.51 O ATOM 694 CG2 THR A 57 -15.843 -14.206 -3.702 1.00 1.45 C ATOM 0 H THR A 57 -13.203 -14.571 -0.782 1.00 0.93 H new ATOM 0 HA THR A 57 -14.696 -16.432 -2.255 1.00 1.09 H new ATOM 0 HB THR A 57 -14.385 -13.460 -2.344 1.00 1.23 H new ATOM 0 HG1 THR A 57 -15.499 -14.146 -0.519 1.00 1.51 H new ATOM 0 HG21 THR A 57 -16.488 -13.329 -3.640 1.00 1.45 H new ATOM 0 HG22 THR A 57 -15.168 -14.101 -4.551 1.00 1.45 H new ATOM 0 HG23 THR A 57 -16.455 -15.098 -3.833 1.00 1.45 H new ATOM 699 N TYR A 58 -12.115 -15.181 -3.772 1.00 1.08 N ATOM 700 CA TYR A 58 -11.291 -15.234 -4.968 1.00 1.17 C ATOM 701 C TYR A 58 -10.551 -16.567 -5.057 1.00 1.08 C ATOM 702 O TYR A 58 -10.508 -17.184 -6.120 1.00 1.19 O ATOM 703 CB TYR A 58 -10.281 -14.083 -4.977 1.00 1.25 C ATOM 704 CG TYR A 58 -10.898 -12.723 -5.219 1.00 1.20 C ATOM 705 CD1 TYR A 58 -11.849 -12.533 -6.213 1.00 1.67 C ATOM 706 CD2 TYR A 58 -10.522 -11.626 -4.453 1.00 1.25 C ATOM 707 CE1 TYR A 58 -12.409 -11.290 -6.436 1.00 2.23 C ATOM 708 CE2 TYR A 58 -11.078 -10.379 -4.667 1.00 1.55 C ATOM 709 CZ TYR A 58 -12.022 -10.217 -5.661 1.00 2.11 C ATOM 710 OH TYR A 58 -12.576 -8.976 -5.882 1.00 2.74 O ATOM 0 H TYR A 58 -11.658 -14.753 -2.967 1.00 1.08 H new ATOM 0 HA TYR A 58 -11.948 -15.138 -5.832 1.00 1.17 H new ATOM 0 HB2 TYR A 58 -9.756 -14.067 -4.022 1.00 1.25 H new ATOM 0 HB3 TYR A 58 -9.535 -14.274 -5.748 1.00 1.25 H new ATOM 0 HD1 TYR A 58 -12.156 -13.371 -6.822 1.00 1.67 H new ATOM 0 HD2 TYR A 58 -9.782 -11.750 -3.676 1.00 1.25 H new ATOM 0 HE1 TYR A 58 -13.147 -11.159 -7.214 1.00 2.23 H new ATOM 0 HE2 TYR A 58 -10.776 -9.538 -4.061 1.00 1.55 H new ATOM 0 HH TYR A 58 -13.487 -9.081 -6.226 1.00 2.74 H new ATOM 720 N ARG A 59 -9.958 -17.009 -3.943 1.00 0.99 N ATOM 721 CA ARG A 59 -9.218 -18.272 -3.949 1.00 0.99 C ATOM 722 C ARG A 59 -9.122 -18.935 -2.574 1.00 0.90 C ATOM 723 O ARG A 59 -9.090 -20.162 -2.478 1.00 0.97 O ATOM 724 CB ARG A 59 -7.808 -18.036 -4.477 1.00 1.05 C ATOM 725 CG ARG A 59 -7.122 -16.820 -3.874 1.00 1.58 C ATOM 726 CD ARG A 59 -6.357 -17.181 -2.611 1.00 1.65 C ATOM 727 NE ARG A 59 -4.952 -17.478 -2.886 1.00 2.22 N ATOM 728 CZ ARG A 59 -4.460 -18.708 -3.025 1.00 2.71 C ATOM 729 NH1 ARG A 59 -5.250 -19.769 -2.918 1.00 3.08 N ATOM 730 NH2 ARG A 59 -3.169 -18.878 -3.275 1.00 3.32 N ATOM 0 H ARG A 59 -9.975 -16.523 -3.046 1.00 0.99 H new ATOM 0 HA ARG A 59 -9.777 -18.949 -4.594 1.00 0.99 H new ATOM 0 HB2 ARG A 59 -7.202 -18.920 -4.276 1.00 1.05 H new ATOM 0 HB3 ARG A 59 -7.851 -17.918 -5.560 1.00 1.05 H new ATOM 0 HG2 ARG A 59 -6.438 -16.388 -4.604 1.00 1.58 H new ATOM 0 HG3 ARG A 59 -7.866 -16.058 -3.644 1.00 1.58 H new ATOM 0 HD2 ARG A 59 -6.421 -16.357 -1.901 1.00 1.65 H new ATOM 0 HD3 ARG A 59 -6.824 -18.045 -2.139 1.00 1.65 H new ATOM 0 HE ARG A 59 -4.307 -16.693 -2.977 1.00 2.22 H new ATOM 0 HH11 ARG A 59 -6.245 -19.647 -2.728 1.00 3.08 H new ATOM 0 HH12 ARG A 59 -4.863 -20.706 -3.026 1.00 3.08 H new ATOM 0 HH21 ARG A 59 -2.555 -18.068 -3.360 1.00 3.32 H new ATOM 0 HH22 ARG A 59 -2.790 -19.819 -3.382 1.00 3.32 H new ATOM 744 N GLY A 60 -9.052 -18.136 -1.516 1.00 0.81 N ATOM 745 CA GLY A 60 -8.933 -18.697 -0.178 1.00 0.80 C ATOM 746 C GLY A 60 -7.674 -18.226 0.529 1.00 0.78 C ATOM 747 O GLY A 60 -7.048 -18.981 1.272 1.00 0.88 O ATOM 0 H GLY A 60 -9.075 -17.117 -1.557 1.00 0.81 H new ATOM 0 HA2 GLY A 60 -9.806 -18.416 0.411 1.00 0.80 H new ATOM 0 HA3 GLY A 60 -8.928 -19.785 -0.241 1.00 0.80 H new ATOM 751 N LYS A 61 -7.307 -16.971 0.286 1.00 0.76 N ATOM 752 CA LYS A 61 -6.120 -16.374 0.888 1.00 0.90 C ATOM 753 C LYS A 61 -6.163 -16.450 2.414 1.00 0.95 C ATOM 754 O LYS A 61 -6.931 -17.220 2.989 1.00 1.42 O ATOM 755 CB LYS A 61 -5.967 -14.925 0.426 1.00 1.17 C ATOM 756 CG LYS A 61 -4.532 -14.526 0.117 1.00 1.31 C ATOM 757 CD LYS A 61 -4.475 -13.412 -0.917 1.00 1.00 C ATOM 758 CE LYS A 61 -4.058 -13.936 -2.281 1.00 1.42 C ATOM 759 NZ LYS A 61 -2.610 -14.276 -2.327 1.00 2.13 N ATOM 0 H LYS A 61 -7.822 -16.342 -0.331 1.00 0.76 H new ATOM 0 HA LYS A 61 -5.253 -16.946 0.557 1.00 0.90 H new ATOM 0 HB2 LYS A 61 -6.576 -14.771 -0.465 1.00 1.17 H new ATOM 0 HB3 LYS A 61 -6.359 -14.264 1.199 1.00 1.17 H new ATOM 0 HG2 LYS A 61 -4.038 -14.200 1.033 1.00 1.31 H new ATOM 0 HG3 LYS A 61 -3.983 -15.393 -0.250 1.00 1.31 H new ATOM 0 HD2 LYS A 61 -5.452 -12.935 -0.993 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -3.771 -12.647 -0.590 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -4.646 -14.820 -2.525 1.00 1.42 H new ATOM 0 HE3 LYS A 61 -4.279 -13.186 -3.041 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 -2.329 -14.467 -3.310 1.00 2.13 H new ATOM 0 HZ2 LYS A 61 -2.054 -13.479 -1.957 1.00 2.13 H new ATOM 0 HZ3 LYS A 61 -2.433 -15.121 -1.747 1.00 2.13 H new ATOM 773 N ASP A 62 -5.305 -15.663 3.054 1.00 1.17 N ATOM 774 CA ASP A 62 -5.195 -15.641 4.509 1.00 1.25 C ATOM 775 C ASP A 62 -6.552 -15.510 5.198 1.00 1.66 C ATOM 776 O ASP A 62 -7.596 -15.454 4.553 1.00 2.50 O ATOM 777 CB ASP A 62 -4.283 -14.493 4.947 1.00 1.84 C ATOM 778 CG ASP A 62 -3.379 -14.879 6.102 1.00 2.50 C ATOM 779 OD1 ASP A 62 -2.471 -15.711 5.892 1.00 2.95 O ATOM 780 OD2 ASP A 62 -3.579 -14.349 7.214 1.00 3.06 O ATOM 0 H ASP A 62 -4.667 -15.023 2.580 1.00 1.17 H new ATOM 0 HA ASP A 62 -4.767 -16.597 4.811 1.00 1.25 H new ATOM 0 HB2 ASP A 62 -3.672 -14.176 4.102 1.00 1.84 H new ATOM 0 HB3 ASP A 62 -4.894 -13.638 5.238 1.00 1.84 H new ATOM 785 N ARG A 63 -6.507 -15.472 6.526 1.00 1.71 N ATOM 786 CA ARG A 63 -7.702 -15.363 7.356 1.00 2.49 C ATOM 787 C ARG A 63 -7.616 -14.093 8.210 1.00 2.22 C ATOM 788 O ARG A 63 -6.775 -13.239 7.929 1.00 1.77 O ATOM 789 CB ARG A 63 -7.807 -16.621 8.224 1.00 3.33 C ATOM 790 CG ARG A 63 -9.140 -17.343 8.097 1.00 4.23 C ATOM 791 CD ARG A 63 -9.429 -18.204 9.319 1.00 4.88 C ATOM 792 NE ARG A 63 -9.600 -19.612 8.969 1.00 5.84 N ATOM 793 CZ ARG A 63 -10.607 -20.076 8.235 1.00 6.66 C ATOM 794 NH1 ARG A 63 -11.535 -19.250 7.769 1.00 6.76 N ATOM 795 NH2 ARG A 63 -10.688 -21.373 7.965 1.00 7.66 N ATOM 0 H ARG A 63 -5.638 -15.516 7.059 1.00 1.71 H new ATOM 0 HA ARG A 63 -8.598 -15.288 6.740 1.00 2.49 H new ATOM 0 HB2 ARG A 63 -7.005 -17.307 7.952 1.00 3.33 H new ATOM 0 HB3 ARG A 63 -7.651 -16.346 9.267 1.00 3.33 H new ATOM 0 HG2 ARG A 63 -9.939 -16.613 7.968 1.00 4.23 H new ATOM 0 HG3 ARG A 63 -9.132 -17.968 7.204 1.00 4.23 H new ATOM 0 HD2 ARG A 63 -8.612 -18.105 10.034 1.00 4.88 H new ATOM 0 HD3 ARG A 63 -10.330 -17.841 9.813 1.00 4.88 H new ATOM 0 HE ARG A 63 -8.906 -20.278 9.308 1.00 5.84 H new ATOM 0 HH11 ARG A 63 -11.479 -18.252 7.973 1.00 6.76 H new ATOM 0 HH12 ARG A 63 -12.305 -19.613 7.207 1.00 6.76 H new ATOM 0 HH21 ARG A 63 -9.978 -22.013 8.321 1.00 7.66 H new ATOM 0 HH22 ARG A 63 -11.460 -21.729 7.402 1.00 7.66 H new ATOM 809 N PRO A 64 -8.466 -13.920 9.258 1.00 3.04 N ATOM 810 CA PRO A 64 -8.429 -12.723 10.107 1.00 3.30 C ATOM 811 C PRO A 64 -7.016 -12.181 10.302 1.00 2.79 C ATOM 812 O PRO A 64 -6.285 -12.609 11.195 1.00 3.00 O ATOM 813 CB PRO A 64 -9.019 -13.240 11.411 1.00 4.45 C ATOM 814 CG PRO A 64 -10.072 -14.190 10.957 1.00 4.81 C ATOM 815 CD PRO A 64 -9.528 -14.851 9.711 1.00 4.12 C ATOM 0 HA PRO A 64 -8.970 -11.879 9.678 1.00 3.30 H new ATOM 0 HB2 PRO A 64 -8.267 -13.736 12.024 1.00 4.45 H new ATOM 0 HB3 PRO A 64 -9.438 -12.432 12.011 1.00 4.45 H new ATOM 0 HG2 PRO A 64 -10.289 -14.929 11.728 1.00 4.81 H new ATOM 0 HG3 PRO A 64 -11.005 -13.667 10.746 1.00 4.81 H new ATOM 0 HD2 PRO A 64 -9.128 -15.842 9.925 1.00 4.12 H new ATOM 0 HD3 PRO A 64 -10.301 -14.976 8.953 1.00 4.12 H new ATOM 823 N THR A 65 -6.642 -11.249 9.432 1.00 2.27 N ATOM 824 CA THR A 65 -5.317 -10.644 9.460 1.00 2.01 C ATOM 825 C THR A 65 -5.383 -9.185 9.912 1.00 1.59 C ATOM 826 O THR A 65 -6.385 -8.740 10.472 1.00 1.81 O ATOM 827 CB THR A 65 -4.686 -10.735 8.065 1.00 2.13 C ATOM 828 OG1 THR A 65 -3.302 -10.437 8.118 1.00 2.47 O ATOM 829 CG2 THR A 65 -5.319 -9.798 7.058 1.00 2.82 C ATOM 0 H THR A 65 -7.246 -10.894 8.691 1.00 2.27 H new ATOM 0 HA THR A 65 -4.703 -11.188 10.178 1.00 2.01 H new ATOM 0 HB THR A 65 -4.856 -11.761 7.739 1.00 2.13 H new ATOM 0 HG1 THR A 65 -2.919 -10.502 7.218 1.00 2.47 H new ATOM 0 HG21 THR A 65 -4.825 -9.914 6.093 1.00 2.82 H new ATOM 0 HG22 THR A 65 -6.378 -10.036 6.955 1.00 2.82 H new ATOM 0 HG23 THR A 65 -5.210 -8.769 7.400 1.00 2.82 H new ATOM 834 N ASN A 66 -4.306 -8.448 9.655 1.00 1.36 N ATOM 835 CA ASN A 66 -4.230 -7.038 10.021 1.00 1.09 C ATOM 836 C ASN A 66 -3.837 -6.193 8.811 1.00 0.83 C ATOM 837 O ASN A 66 -4.390 -5.118 8.586 1.00 1.09 O ATOM 838 CB ASN A 66 -3.220 -6.834 11.152 1.00 1.37 C ATOM 839 CG ASN A 66 -1.817 -7.250 10.758 1.00 1.54 C ATOM 840 OD1 ASN A 66 -1.572 -8.407 10.418 1.00 2.36 O ATOM 841 ND2 ASN A 66 -0.886 -6.304 10.800 1.00 1.35 N ATOM 0 H ASN A 66 -3.471 -8.807 9.193 1.00 1.36 H new ATOM 0 HA ASN A 66 -5.214 -6.720 10.366 1.00 1.09 H new ATOM 0 HB2 ASN A 66 -3.215 -5.784 11.446 1.00 1.37 H new ATOM 0 HB3 ASN A 66 -3.535 -7.408 12.024 1.00 1.37 H new ATOM 0 HD21 ASN A 66 0.077 -6.524 10.544 1.00 1.35 H new ATOM 0 HD22 ASN A 66 -1.133 -5.357 11.088 1.00 1.35 H new ATOM 846 N VAL A 67 -2.878 -6.693 8.035 1.00 0.71 N ATOM 847 CA VAL A 67 -2.411 -5.991 6.846 1.00 0.79 C ATOM 848 C VAL A 67 -2.279 -6.950 5.665 1.00 0.79 C ATOM 849 O VAL A 67 -1.172 -7.318 5.270 1.00 0.81 O ATOM 850 CB VAL A 67 -1.053 -5.306 7.093 1.00 1.12 C ATOM 851 CG1 VAL A 67 -1.231 -4.054 7.943 1.00 1.59 C ATOM 852 CG2 VAL A 67 -0.078 -6.273 7.748 1.00 1.51 C ATOM 0 H VAL A 67 -2.410 -7.582 8.210 1.00 0.71 H new ATOM 0 HA VAL A 67 -3.154 -5.228 6.614 1.00 0.79 H new ATOM 0 HB VAL A 67 -0.638 -5.006 6.131 1.00 1.12 H new ATOM 0 HG11 VAL A 67 -0.261 -3.584 8.107 1.00 1.59 H new ATOM 0 HG12 VAL A 67 -1.890 -3.355 7.428 1.00 1.59 H new ATOM 0 HG13 VAL A 67 -1.669 -4.326 8.903 1.00 1.59 H new ATOM 0 HG21 VAL A 67 0.875 -5.771 7.915 1.00 1.51 H new ATOM 0 HG22 VAL A 67 -0.484 -6.608 8.703 1.00 1.51 H new ATOM 0 HG23 VAL A 67 0.074 -7.134 7.097 1.00 1.51 H new ATOM 856 N LEU A 68 -3.416 -7.352 5.109 1.00 0.86 N ATOM 857 CA LEU A 68 -3.437 -8.270 3.975 1.00 0.89 C ATOM 858 C LEU A 68 -3.167 -7.523 2.670 1.00 0.81 C ATOM 859 O LEU A 68 -3.630 -6.399 2.480 1.00 0.75 O ATOM 860 CB LEU A 68 -4.789 -8.993 3.917 1.00 0.99 C ATOM 861 CG LEU A 68 -5.134 -9.676 2.590 1.00 1.22 C ATOM 862 CD1 LEU A 68 -4.498 -11.057 2.519 1.00 2.06 C ATOM 863 CD2 LEU A 68 -6.643 -9.772 2.426 1.00 1.10 C ATOM 0 H LEU A 68 -4.339 -7.056 5.426 1.00 0.86 H new ATOM 0 HA LEU A 68 -2.648 -9.010 4.106 1.00 0.89 H new ATOM 0 HB2 LEU A 68 -4.809 -9.746 4.705 1.00 0.99 H new ATOM 0 HB3 LEU A 68 -5.574 -8.271 4.145 1.00 0.99 H new ATOM 0 HG LEU A 68 -4.734 -9.075 1.774 1.00 1.22 H new ATOM 0 HD11 LEU A 68 -4.754 -11.527 1.569 1.00 2.06 H new ATOM 0 HD12 LEU A 68 -3.415 -10.963 2.597 1.00 2.06 H new ATOM 0 HD13 LEU A 68 -4.869 -11.671 3.340 1.00 2.06 H new ATOM 0 HD21 LEU A 68 -6.876 -10.259 1.479 1.00 1.10 H new ATOM 0 HD22 LEU A 68 -7.062 -10.355 3.247 1.00 1.10 H new ATOM 0 HD23 LEU A 68 -7.074 -8.771 2.435 1.00 1.10 H new ATOM 869 N SER A 69 -2.412 -8.156 1.776 1.00 0.96 N ATOM 870 CA SER A 69 -2.079 -7.551 0.491 1.00 0.97 C ATOM 871 C SER A 69 -2.609 -8.394 -0.665 1.00 0.86 C ATOM 872 O SER A 69 -3.414 -9.305 -0.465 1.00 0.89 O ATOM 873 CB SER A 69 -0.563 -7.381 0.362 1.00 1.18 C ATOM 874 OG SER A 69 -0.243 -6.254 -0.436 1.00 1.85 O ATOM 0 H SER A 69 -2.020 -9.087 1.918 1.00 0.96 H new ATOM 0 HA SER A 69 -2.554 -6.571 0.446 1.00 0.97 H new ATOM 0 HB2 SER A 69 -0.121 -7.267 1.352 1.00 1.18 H new ATOM 0 HB3 SER A 69 -0.129 -8.278 -0.079 1.00 1.18 H new ATOM 0 HG SER A 69 -0.993 -6.053 -1.034 1.00 1.85 H new ATOM 880 N PHE A 70 -2.155 -8.083 -1.876 1.00 0.81 N ATOM 881 CA PHE A 70 -2.585 -8.809 -3.064 1.00 0.82 C ATOM 882 C PHE A 70 -1.517 -8.756 -4.156 1.00 0.91 C ATOM 883 O PHE A 70 -1.571 -7.907 -5.045 1.00 1.03 O ATOM 884 CB PHE A 70 -3.899 -8.230 -3.592 1.00 0.89 C ATOM 885 CG PHE A 70 -5.119 -8.961 -3.112 1.00 0.96 C ATOM 886 CD1 PHE A 70 -5.165 -10.346 -3.133 1.00 1.16 C ATOM 887 CD2 PHE A 70 -6.219 -8.263 -2.641 1.00 1.81 C ATOM 888 CE1 PHE A 70 -6.288 -11.021 -2.692 1.00 1.33 C ATOM 889 CE2 PHE A 70 -7.343 -8.933 -2.198 1.00 2.03 C ATOM 890 CZ PHE A 70 -7.378 -10.314 -2.223 1.00 1.48 C ATOM 0 H PHE A 70 -1.489 -7.332 -2.059 1.00 0.81 H new ATOM 0 HA PHE A 70 -2.739 -9.851 -2.785 1.00 0.82 H new ATOM 0 HB2 PHE A 70 -3.971 -7.185 -3.292 1.00 0.89 H new ATOM 0 HB3 PHE A 70 -3.881 -8.248 -4.682 1.00 0.89 H new ATOM 0 HD1 PHE A 70 -4.315 -10.904 -3.498 1.00 1.16 H new ATOM 0 HD2 PHE A 70 -6.198 -7.183 -2.620 1.00 1.81 H new ATOM 0 HE1 PHE A 70 -6.313 -12.100 -2.714 1.00 1.33 H new ATOM 0 HE2 PHE A 70 -8.194 -8.378 -1.832 1.00 2.03 H new ATOM 0 HZ PHE A 70 -8.256 -10.840 -1.877 1.00 1.48 H new ATOM 900 N PRO A 71 -0.530 -9.668 -4.104 1.00 0.95 N ATOM 901 CA PRO A 71 0.548 -9.721 -5.094 1.00 1.11 C ATOM 902 C PRO A 71 0.094 -10.350 -6.407 1.00 1.11 C ATOM 903 O PRO A 71 -0.696 -11.294 -6.413 1.00 1.14 O ATOM 904 CB PRO A 71 1.598 -10.598 -4.413 1.00 1.18 C ATOM 905 CG PRO A 71 0.813 -11.507 -3.533 1.00 1.13 C ATOM 906 CD PRO A 71 -0.388 -10.719 -3.077 1.00 0.95 C ATOM 0 HA PRO A 71 0.910 -8.729 -5.366 1.00 1.11 H new ATOM 0 HB2 PRO A 71 2.181 -11.159 -5.144 1.00 1.18 H new ATOM 0 HB3 PRO A 71 2.302 -9.998 -3.836 1.00 1.18 H new ATOM 0 HG2 PRO A 71 0.508 -12.403 -4.073 1.00 1.13 H new ATOM 0 HG3 PRO A 71 1.409 -11.835 -2.682 1.00 1.13 H new ATOM 0 HD2 PRO A 71 -1.279 -11.345 -3.019 1.00 0.95 H new ATOM 0 HD3 PRO A 71 -0.234 -10.292 -2.086 1.00 0.95 H new ATOM 914 N PHE A 72 0.596 -9.823 -7.519 1.00 1.22 N ATOM 915 CA PHE A 72 0.237 -10.336 -8.836 1.00 1.28 C ATOM 916 C PHE A 72 0.796 -11.742 -9.045 1.00 1.36 C ATOM 917 O PHE A 72 1.539 -12.256 -8.208 1.00 1.47 O ATOM 918 CB PHE A 72 0.735 -9.387 -9.935 1.00 1.36 C ATOM 919 CG PHE A 72 2.165 -9.616 -10.348 1.00 1.05 C ATOM 920 CD1 PHE A 72 3.190 -9.558 -9.417 1.00 1.38 C ATOM 921 CD2 PHE A 72 2.480 -9.890 -11.670 1.00 1.65 C ATOM 922 CE1 PHE A 72 4.502 -9.769 -9.797 1.00 1.46 C ATOM 923 CE2 PHE A 72 3.790 -10.101 -12.055 1.00 1.83 C ATOM 924 CZ PHE A 72 4.802 -10.040 -11.117 1.00 1.39 C ATOM 0 H PHE A 72 1.252 -9.042 -7.534 1.00 1.22 H new ATOM 0 HA PHE A 72 -0.850 -10.393 -8.894 1.00 1.28 H new ATOM 0 HB2 PHE A 72 0.094 -9.495 -10.810 1.00 1.36 H new ATOM 0 HB3 PHE A 72 0.629 -8.359 -9.587 1.00 1.36 H new ATOM 0 HD1 PHE A 72 2.961 -9.346 -8.383 1.00 1.38 H new ATOM 0 HD2 PHE A 72 1.692 -9.939 -12.407 1.00 1.65 H new ATOM 0 HE1 PHE A 72 5.292 -9.722 -9.062 1.00 1.46 H new ATOM 0 HE2 PHE A 72 4.022 -10.313 -13.088 1.00 1.83 H new ATOM 0 HZ PHE A 72 5.827 -10.204 -11.416 1.00 1.39 H new ATOM 934 N GLU A 73 0.437 -12.357 -10.167 1.00 1.56 N ATOM 935 CA GLU A 73 0.904 -13.702 -10.486 1.00 1.67 C ATOM 936 C GLU A 73 2.426 -13.741 -10.576 1.00 1.31 C ATOM 937 O GLU A 73 3.007 -13.360 -11.590 1.00 1.43 O ATOM 938 CB GLU A 73 0.290 -14.179 -11.804 1.00 2.21 C ATOM 939 CG GLU A 73 -1.227 -14.262 -11.774 1.00 2.25 C ATOM 940 CD GLU A 73 -1.842 -14.226 -13.160 1.00 2.36 C ATOM 941 OE1 GLU A 73 -1.311 -13.499 -14.025 1.00 2.89 O ATOM 942 OE2 GLU A 73 -2.852 -14.926 -13.379 1.00 2.62 O ATOM 0 H GLU A 73 -0.176 -11.946 -10.871 1.00 1.56 H new ATOM 0 HA GLU A 73 0.588 -14.370 -9.684 1.00 1.67 H new ATOM 0 HB2 GLU A 73 0.593 -13.501 -12.602 1.00 2.21 H new ATOM 0 HB3 GLU A 73 0.694 -15.161 -12.049 1.00 2.21 H new ATOM 0 HG2 GLU A 73 -1.527 -15.182 -11.272 1.00 2.25 H new ATOM 0 HG3 GLU A 73 -1.621 -13.434 -11.185 1.00 2.25 H new ATOM 949 N CYS A 74 3.064 -14.204 -9.506 1.00 1.48 N ATOM 950 CA CYS A 74 4.519 -14.291 -9.462 1.00 1.68 C ATOM 951 C CYS A 74 4.987 -15.727 -9.695 1.00 1.76 C ATOM 952 O CYS A 74 5.059 -16.522 -8.759 1.00 2.31 O ATOM 953 CB CYS A 74 5.039 -13.789 -8.115 1.00 2.63 C ATOM 954 SG CYS A 74 6.835 -13.594 -8.042 1.00 3.95 S ATOM 0 H CYS A 74 2.596 -14.525 -8.658 1.00 1.48 H new ATOM 0 HA CYS A 74 4.919 -13.663 -10.258 1.00 1.68 H new ATOM 0 HB2 CYS A 74 4.571 -12.830 -7.892 1.00 2.63 H new ATOM 0 HB3 CYS A 74 4.728 -14.485 -7.336 1.00 2.63 H new ATOM 0 HG CYS A 74 7.127 -12.356 -7.774 1.00 3.95 H new ATOM 960 N PRO A 75 5.314 -16.082 -10.953 1.00 1.68 N ATOM 961 CA PRO A 75 5.776 -17.433 -11.293 1.00 2.01 C ATOM 962 C PRO A 75 7.041 -17.819 -10.533 1.00 2.43 C ATOM 963 O PRO A 75 6.992 -18.604 -9.585 1.00 3.08 O ATOM 964 CB PRO A 75 6.048 -17.363 -12.803 1.00 2.13 C ATOM 965 CG PRO A 75 6.144 -15.909 -13.123 1.00 2.21 C ATOM 966 CD PRO A 75 5.261 -15.205 -12.133 1.00 1.89 C ATOM 0 HA PRO A 75 5.041 -18.191 -11.024 1.00 2.01 H new ATOM 0 HB2 PRO A 75 6.971 -17.883 -13.060 1.00 2.13 H new ATOM 0 HB3 PRO A 75 5.246 -17.837 -13.369 1.00 2.13 H new ATOM 0 HG2 PRO A 75 7.174 -15.560 -13.044 1.00 2.21 H new ATOM 0 HG3 PRO A 75 5.818 -15.712 -14.144 1.00 2.21 H new ATOM 0 HD2 PRO A 75 5.627 -14.204 -11.907 1.00 1.89 H new ATOM 0 HD3 PRO A 75 4.243 -15.095 -12.508 1.00 1.89 H new ATOM 974 N ASP A 76 8.173 -17.263 -10.952 1.00 2.55 N ATOM 975 CA ASP A 76 9.449 -17.548 -10.308 1.00 3.28 C ATOM 976 C ASP A 76 10.082 -16.269 -9.766 1.00 3.54 C ATOM 977 O ASP A 76 9.947 -15.951 -8.584 1.00 4.33 O ATOM 978 CB ASP A 76 10.403 -18.229 -11.294 1.00 3.70 C ATOM 979 CG ASP A 76 10.359 -19.740 -11.193 1.00 4.37 C ATOM 980 OD1 ASP A 76 9.244 -20.301 -11.155 1.00 4.93 O ATOM 981 OD2 ASP A 76 11.441 -20.364 -11.152 1.00 4.70 O ATOM 0 H ASP A 76 8.232 -16.612 -11.735 1.00 2.55 H new ATOM 0 HA ASP A 76 9.264 -18.222 -9.472 1.00 3.28 H new ATOM 0 HB2 ASP A 76 10.146 -17.928 -12.310 1.00 3.70 H new ATOM 0 HB3 ASP A 76 11.420 -17.885 -11.107 1.00 3.70 H new ATOM 986 N GLU A 77 10.770 -15.539 -10.637 1.00 3.34 N ATOM 987 CA GLU A 77 11.422 -14.295 -10.249 1.00 4.10 C ATOM 988 C GLU A 77 11.074 -13.174 -11.220 1.00 4.12 C ATOM 989 O GLU A 77 10.763 -12.058 -10.806 1.00 4.72 O ATOM 990 CB GLU A 77 12.938 -14.486 -10.191 1.00 4.59 C ATOM 991 CG GLU A 77 13.535 -15.017 -11.483 1.00 5.37 C ATOM 992 CD GLU A 77 14.756 -15.883 -11.249 1.00 6.17 C ATOM 993 OE1 GLU A 77 14.758 -16.653 -10.266 1.00 6.39 O ATOM 994 OE2 GLU A 77 15.710 -15.792 -12.049 1.00 6.84 O ATOM 0 H GLU A 77 10.890 -15.789 -11.619 1.00 3.34 H new ATOM 0 HA GLU A 77 11.061 -14.017 -9.259 1.00 4.10 H new ATOM 0 HB2 GLU A 77 13.407 -13.532 -9.949 1.00 4.59 H new ATOM 0 HB3 GLU A 77 13.178 -15.174 -9.380 1.00 4.59 H new ATOM 0 HG2 GLU A 77 12.781 -15.596 -12.016 1.00 5.37 H new ATOM 0 HG3 GLU A 77 13.806 -14.179 -12.125 1.00 5.37 H new ATOM 1001 N VAL A 78 11.137 -13.486 -12.514 1.00 3.88 N ATOM 1002 CA VAL A 78 10.836 -12.520 -13.571 1.00 4.32 C ATOM 1003 C VAL A 78 11.525 -11.182 -13.324 1.00 4.59 C ATOM 1004 O VAL A 78 12.271 -11.023 -12.357 1.00 4.66 O ATOM 1005 CB VAL A 78 9.317 -12.289 -13.722 1.00 4.22 C ATOM 1006 CG1 VAL A 78 8.620 -13.577 -14.132 1.00 3.62 C ATOM 1007 CG2 VAL A 78 8.721 -11.741 -12.435 1.00 4.61 C ATOM 0 H VAL A 78 11.397 -14.410 -12.858 1.00 3.88 H new ATOM 0 HA VAL A 78 11.220 -12.951 -14.496 1.00 4.32 H new ATOM 0 HB VAL A 78 9.162 -11.549 -14.507 1.00 4.22 H new ATOM 0 HG11 VAL A 78 7.550 -13.395 -14.234 1.00 3.62 H new ATOM 0 HG12 VAL A 78 9.022 -13.921 -15.085 1.00 3.62 H new ATOM 0 HG13 VAL A 78 8.788 -14.340 -13.371 1.00 3.62 H new ATOM 0 HG21 VAL A 78 7.650 -11.587 -12.567 1.00 4.61 H new ATOM 0 HG22 VAL A 78 8.888 -12.451 -11.625 1.00 4.61 H new ATOM 0 HG23 VAL A 78 9.197 -10.792 -12.189 1.00 4.61 H new ATOM 1011 N GLU A 79 11.276 -10.219 -14.204 1.00 5.02 N ATOM 1012 CA GLU A 79 11.876 -8.900 -14.074 1.00 5.37 C ATOM 1013 C GLU A 79 10.980 -7.831 -14.689 1.00 4.83 C ATOM 1014 O GLU A 79 10.886 -7.709 -15.910 1.00 5.25 O ATOM 1015 CB GLU A 79 13.258 -8.875 -14.728 1.00 6.47 C ATOM 1016 CG GLU A 79 14.392 -9.201 -13.768 1.00 7.05 C ATOM 1017 CD GLU A 79 15.661 -9.618 -14.484 1.00 7.91 C ATOM 1018 OE1 GLU A 79 16.141 -8.846 -15.340 1.00 8.13 O ATOM 1019 OE2 GLU A 79 16.174 -10.719 -14.191 1.00 8.58 O ATOM 0 H GLU A 79 10.664 -10.328 -15.013 1.00 5.02 H new ATOM 0 HA GLU A 79 11.987 -8.682 -13.012 1.00 5.37 H new ATOM 0 HB2 GLU A 79 13.274 -9.589 -15.552 1.00 6.47 H new ATOM 0 HB3 GLU A 79 13.429 -7.888 -15.158 1.00 6.47 H new ATOM 0 HG2 GLU A 79 14.599 -8.329 -13.147 1.00 7.05 H new ATOM 0 HG3 GLU A 79 14.077 -10.002 -13.098 1.00 7.05 H new ATOM 1026 N LEU A 80 10.321 -7.061 -13.829 1.00 4.12 N ATOM 1027 CA LEU A 80 9.426 -6.003 -14.279 1.00 3.69 C ATOM 1028 C LEU A 80 8.960 -5.152 -13.100 1.00 3.19 C ATOM 1029 O LEU A 80 8.837 -5.647 -11.979 1.00 2.62 O ATOM 1030 CB LEU A 80 8.216 -6.606 -14.994 1.00 3.48 C ATOM 1031 CG LEU A 80 7.270 -7.412 -14.099 1.00 3.52 C ATOM 1032 CD1 LEU A 80 5.824 -7.189 -14.514 1.00 4.01 C ATOM 1033 CD2 LEU A 80 7.620 -8.892 -14.149 1.00 3.62 C ATOM 0 H LEU A 80 10.391 -7.151 -12.815 1.00 4.12 H new ATOM 0 HA LEU A 80 9.972 -5.365 -14.974 1.00 3.69 H new ATOM 0 HB2 LEU A 80 7.651 -5.800 -15.462 1.00 3.48 H new ATOM 0 HB3 LEU A 80 8.572 -7.253 -15.796 1.00 3.48 H new ATOM 0 HG LEU A 80 7.389 -7.066 -13.072 1.00 3.52 H new ATOM 0 HD11 LEU A 80 5.166 -7.769 -13.867 1.00 4.01 H new ATOM 0 HD12 LEU A 80 5.579 -6.131 -14.425 1.00 4.01 H new ATOM 0 HD13 LEU A 80 5.689 -7.507 -15.548 1.00 4.01 H new ATOM 0 HD21 LEU A 80 6.938 -9.449 -13.507 1.00 3.62 H new ATOM 0 HD22 LEU A 80 7.530 -9.253 -15.174 1.00 3.62 H new ATOM 0 HD23 LEU A 80 8.643 -9.036 -13.802 1.00 3.62 H new ATOM 1039 N PRO A 81 8.686 -3.859 -13.337 1.00 3.80 N ATOM 1040 CA PRO A 81 8.223 -2.949 -12.284 1.00 3.74 C ATOM 1041 C PRO A 81 6.830 -3.322 -11.789 1.00 2.98 C ATOM 1042 O PRO A 81 5.875 -3.353 -12.565 1.00 3.21 O ATOM 1043 CB PRO A 81 8.200 -1.583 -12.975 1.00 4.99 C ATOM 1044 CG PRO A 81 8.068 -1.889 -14.426 1.00 5.53 C ATOM 1045 CD PRO A 81 8.795 -3.186 -14.644 1.00 4.94 C ATOM 0 HA PRO A 81 8.863 -2.977 -11.402 1.00 3.74 H new ATOM 0 HB2 PRO A 81 7.366 -0.976 -12.622 1.00 4.99 H new ATOM 0 HB3 PRO A 81 9.112 -1.022 -12.771 1.00 4.99 H new ATOM 0 HG2 PRO A 81 7.020 -1.976 -14.712 1.00 5.53 H new ATOM 0 HG3 PRO A 81 8.499 -1.093 -15.033 1.00 5.53 H new ATOM 0 HD2 PRO A 81 8.338 -3.775 -15.439 1.00 4.94 H new ATOM 0 HD3 PRO A 81 9.835 -3.022 -14.927 1.00 4.94 H new ATOM 1053 N LEU A 82 6.720 -3.616 -10.497 1.00 2.52 N ATOM 1054 CA LEU A 82 5.439 -3.995 -9.915 1.00 1.87 C ATOM 1055 C LEU A 82 5.487 -3.987 -8.389 1.00 1.58 C ATOM 1056 O LEU A 82 6.510 -4.304 -7.782 1.00 2.06 O ATOM 1057 CB LEU A 82 5.011 -5.380 -10.430 1.00 1.92 C ATOM 1058 CG LEU A 82 5.635 -6.597 -9.726 1.00 1.91 C ATOM 1059 CD1 LEU A 82 7.134 -6.422 -9.533 1.00 2.25 C ATOM 1060 CD2 LEU A 82 4.948 -6.855 -8.392 1.00 2.10 C ATOM 0 H LEU A 82 7.498 -3.599 -9.837 1.00 2.52 H new ATOM 0 HA LEU A 82 4.702 -3.254 -10.224 1.00 1.87 H new ATOM 0 HB2 LEU A 82 3.927 -5.456 -10.345 1.00 1.92 H new ATOM 0 HB3 LEU A 82 5.252 -5.439 -11.491 1.00 1.92 H new ATOM 0 HG LEU A 82 5.484 -7.465 -10.368 1.00 1.91 H new ATOM 0 HD11 LEU A 82 7.541 -7.301 -9.033 1.00 2.25 H new ATOM 0 HD12 LEU A 82 7.614 -6.302 -10.504 1.00 2.25 H new ATOM 0 HD13 LEU A 82 7.322 -5.538 -8.924 1.00 2.25 H new ATOM 0 HD21 LEU A 82 5.403 -7.720 -7.909 1.00 2.10 H new ATOM 0 HD22 LEU A 82 5.059 -5.981 -7.750 1.00 2.10 H new ATOM 0 HD23 LEU A 82 3.889 -7.049 -8.560 1.00 2.10 H new ATOM 1066 N LEU A 83 4.365 -3.630 -7.774 1.00 1.15 N ATOM 1067 CA LEU A 83 4.269 -3.592 -6.319 1.00 1.18 C ATOM 1068 C LEU A 83 3.082 -4.420 -5.829 1.00 1.05 C ATOM 1069 O LEU A 83 3.079 -4.905 -4.697 1.00 1.39 O ATOM 1070 CB LEU A 83 4.156 -2.147 -5.828 1.00 1.20 C ATOM 1071 CG LEU A 83 5.402 -1.616 -5.117 1.00 2.03 C ATOM 1072 CD1 LEU A 83 5.586 -0.133 -5.393 1.00 3.13 C ATOM 1073 CD2 LEU A 83 5.309 -1.879 -3.621 1.00 2.48 C ATOM 0 H LEU A 83 3.509 -3.363 -8.260 1.00 1.15 H new ATOM 0 HA LEU A 83 5.179 -4.028 -5.906 1.00 1.18 H new ATOM 0 HB2 LEU A 83 3.938 -1.504 -6.681 1.00 1.20 H new ATOM 0 HB3 LEU A 83 3.307 -2.074 -5.148 1.00 1.20 H new ATOM 0 HG LEU A 83 6.274 -2.143 -5.506 1.00 2.03 H new ATOM 0 HD11 LEU A 83 6.478 0.225 -4.878 1.00 3.13 H new ATOM 0 HD12 LEU A 83 5.698 0.026 -6.465 1.00 3.13 H new ATOM 0 HD13 LEU A 83 4.715 0.415 -5.033 1.00 3.13 H new ATOM 0 HD21 LEU A 83 6.202 -1.496 -3.128 1.00 2.48 H new ATOM 0 HD22 LEU A 83 4.429 -1.378 -3.218 1.00 2.48 H new ATOM 0 HD23 LEU A 83 5.229 -2.952 -3.444 1.00 2.48 H new ATOM 1079 N GLY A 84 2.080 -4.588 -6.688 1.00 0.86 N ATOM 1080 CA GLY A 84 0.911 -5.371 -6.322 1.00 1.17 C ATOM 1081 C GLY A 84 -0.161 -4.549 -5.632 1.00 1.02 C ATOM 1082 O GLY A 84 0.003 -3.348 -5.422 1.00 0.95 O ATOM 0 H GLY A 84 2.056 -4.197 -7.630 1.00 0.86 H new ATOM 0 HA2 GLY A 84 0.491 -5.827 -7.218 1.00 1.17 H new ATOM 0 HA3 GLY A 84 1.217 -6.185 -5.664 1.00 1.17 H new ATOM 1086 N ASP A 85 -1.265 -5.205 -5.278 1.00 1.00 N ATOM 1087 CA ASP A 85 -2.376 -4.538 -4.607 1.00 0.88 C ATOM 1088 C ASP A 85 -2.289 -4.732 -3.095 1.00 0.82 C ATOM 1089 O ASP A 85 -1.570 -5.609 -2.614 1.00 0.93 O ATOM 1090 CB ASP A 85 -3.710 -5.076 -5.131 1.00 0.86 C ATOM 1091 CG ASP A 85 -4.906 -4.395 -4.493 1.00 1.49 C ATOM 1092 OD1 ASP A 85 -5.251 -4.752 -3.347 1.00 2.12 O ATOM 1093 OD2 ASP A 85 -5.496 -3.504 -5.139 1.00 2.17 O ATOM 0 H ASP A 85 -1.413 -6.200 -5.446 1.00 1.00 H new ATOM 0 HA ASP A 85 -2.315 -3.471 -4.822 1.00 0.88 H new ATOM 0 HB2 ASP A 85 -3.753 -4.940 -6.212 1.00 0.86 H new ATOM 0 HB3 ASP A 85 -3.764 -6.148 -4.943 1.00 0.86 H new ATOM 1098 N LEU A 86 -3.017 -3.905 -2.348 1.00 0.73 N ATOM 1099 CA LEU A 86 -3.009 -3.989 -0.891 1.00 0.69 C ATOM 1100 C LEU A 86 -4.426 -3.998 -0.323 1.00 0.60 C ATOM 1101 O LEU A 86 -5.358 -3.477 -0.936 1.00 0.71 O ATOM 1102 CB LEU A 86 -2.218 -2.819 -0.302 1.00 0.82 C ATOM 1103 CG LEU A 86 -0.995 -3.214 0.527 1.00 0.94 C ATOM 1104 CD1 LEU A 86 0.007 -2.073 0.572 1.00 1.41 C ATOM 1105 CD2 LEU A 86 -1.410 -3.617 1.936 1.00 1.10 C ATOM 0 H LEU A 86 -3.617 -3.172 -2.726 1.00 0.73 H new ATOM 0 HA LEU A 86 -2.530 -4.928 -0.613 1.00 0.69 H new ATOM 0 HB2 LEU A 86 -1.892 -2.174 -1.118 1.00 0.82 H new ATOM 0 HB3 LEU A 86 -2.886 -2.228 0.324 1.00 0.82 H new ATOM 0 HG LEU A 86 -0.520 -4.072 0.052 1.00 0.94 H new ATOM 0 HD11 LEU A 86 0.871 -2.371 1.166 1.00 1.41 H new ATOM 0 HD12 LEU A 86 0.329 -1.831 -0.441 1.00 1.41 H new ATOM 0 HD13 LEU A 86 -0.459 -1.197 1.023 1.00 1.41 H new ATOM 0 HD21 LEU A 86 -0.526 -3.895 2.510 1.00 1.10 H new ATOM 0 HD22 LEU A 86 -1.910 -2.779 2.422 1.00 1.10 H new ATOM 0 HD23 LEU A 86 -2.091 -4.466 1.886 1.00 1.10 H new ATOM 1111 N VAL A 87 -4.573 -4.590 0.859 1.00 0.56 N ATOM 1112 CA VAL A 87 -5.865 -4.670 1.531 1.00 0.59 C ATOM 1113 C VAL A 87 -5.690 -4.566 3.043 1.00 0.66 C ATOM 1114 O VAL A 87 -5.603 -5.579 3.737 1.00 0.94 O ATOM 1115 CB VAL A 87 -6.595 -5.985 1.198 1.00 0.63 C ATOM 1116 CG1 VAL A 87 -8.018 -5.957 1.734 1.00 1.15 C ATOM 1117 CG2 VAL A 87 -6.587 -6.235 -0.303 1.00 1.15 C ATOM 0 H VAL A 87 -3.807 -5.024 1.374 1.00 0.56 H new ATOM 0 HA VAL A 87 -6.467 -3.835 1.172 1.00 0.59 H new ATOM 0 HB VAL A 87 -6.066 -6.806 1.682 1.00 0.63 H new ATOM 0 HG11 VAL A 87 -8.518 -6.894 1.489 1.00 1.15 H new ATOM 0 HG12 VAL A 87 -7.997 -5.829 2.816 1.00 1.15 H new ATOM 0 HG13 VAL A 87 -8.561 -5.127 1.281 1.00 1.15 H new ATOM 0 HG21 VAL A 87 -7.107 -7.168 -0.519 1.00 1.15 H new ATOM 0 HG22 VAL A 87 -7.090 -5.413 -0.811 1.00 1.15 H new ATOM 0 HG23 VAL A 87 -5.558 -6.303 -0.655 1.00 1.15 H new ATOM 1121 N ILE A 88 -5.622 -3.336 3.547 1.00 0.57 N ATOM 1122 CA ILE A 88 -5.436 -3.109 4.979 1.00 0.66 C ATOM 1123 C ILE A 88 -6.728 -2.653 5.652 1.00 0.74 C ATOM 1124 O ILE A 88 -7.658 -2.196 4.991 1.00 0.96 O ATOM 1125 CB ILE A 88 -4.341 -2.052 5.235 1.00 0.67 C ATOM 1126 CG1 ILE A 88 -3.088 -2.370 4.414 1.00 1.15 C ATOM 1127 CG2 ILE A 88 -4.006 -1.978 6.715 1.00 1.30 C ATOM 1128 CD1 ILE A 88 -2.585 -1.195 3.605 1.00 1.94 C ATOM 0 H ILE A 88 -5.692 -2.485 2.989 1.00 0.57 H new ATOM 0 HA ILE A 88 -5.132 -4.063 5.409 1.00 0.66 H new ATOM 0 HB ILE A 88 -4.720 -1.079 4.921 1.00 0.67 H new ATOM 0 HG12 ILE A 88 -2.297 -2.704 5.086 1.00 1.15 H new ATOM 0 HG13 ILE A 88 -3.305 -3.199 3.740 1.00 1.15 H new ATOM 0 HG21 ILE A 88 -3.232 -1.227 6.876 1.00 1.30 H new ATOM 0 HG22 ILE A 88 -4.899 -1.705 7.277 1.00 1.30 H new ATOM 0 HG23 ILE A 88 -3.646 -2.949 7.056 1.00 1.30 H new ATOM 0 HD11 ILE A 88 -1.696 -1.491 3.048 1.00 1.94 H new ATOM 0 HD12 ILE A 88 -3.360 -0.875 2.908 1.00 1.94 H new ATOM 0 HD13 ILE A 88 -2.337 -0.372 4.275 1.00 1.94 H new ATOM 1132 N CYS A 89 -6.776 -2.778 6.976 1.00 0.79 N ATOM 1133 CA CYS A 89 -7.948 -2.373 7.743 1.00 0.89 C ATOM 1134 C CYS A 89 -7.811 -0.922 8.198 1.00 0.78 C ATOM 1135 O CYS A 89 -6.796 -0.537 8.777 1.00 0.73 O ATOM 1136 CB CYS A 89 -8.133 -3.286 8.957 1.00 1.12 C ATOM 1137 SG CYS A 89 -8.737 -4.940 8.549 1.00 1.32 S ATOM 0 H CYS A 89 -6.015 -3.157 7.539 1.00 0.79 H new ATOM 0 HA CYS A 89 -8.825 -2.459 7.101 1.00 0.89 H new ATOM 0 HB2 CYS A 89 -7.180 -3.377 9.479 1.00 1.12 H new ATOM 0 HB3 CYS A 89 -8.832 -2.816 9.649 1.00 1.12 H new ATOM 0 HG CYS A 89 -8.659 -5.702 9.600 1.00 1.32 H new ATOM 1143 N ARG A 90 -8.834 -0.120 7.925 1.00 0.91 N ATOM 1144 CA ARG A 90 -8.821 1.291 8.298 1.00 0.91 C ATOM 1145 C ARG A 90 -9.050 1.473 9.795 1.00 0.81 C ATOM 1146 O ARG A 90 -8.480 2.368 10.415 1.00 0.99 O ATOM 1147 CB ARG A 90 -9.889 2.054 7.513 1.00 1.14 C ATOM 1148 CG ARG A 90 -11.299 1.539 7.745 1.00 2.09 C ATOM 1149 CD ARG A 90 -12.024 2.361 8.798 1.00 2.56 C ATOM 1150 NE ARG A 90 -12.948 1.549 9.588 1.00 3.28 N ATOM 1151 CZ ARG A 90 -13.952 2.050 10.301 1.00 4.16 C ATOM 1152 NH1 ARG A 90 -14.167 3.360 10.330 1.00 4.50 N ATOM 1153 NH2 ARG A 90 -14.746 1.240 10.989 1.00 5.12 N ATOM 0 H ARG A 90 -9.683 -0.422 7.447 1.00 0.91 H new ATOM 0 HA ARG A 90 -7.837 1.691 8.054 1.00 0.91 H new ATOM 0 HB2 ARG A 90 -9.846 3.108 7.788 1.00 1.14 H new ATOM 0 HB3 ARG A 90 -9.659 1.993 6.449 1.00 1.14 H new ATOM 0 HG2 ARG A 90 -11.858 1.570 6.809 1.00 2.09 H new ATOM 0 HG3 ARG A 90 -11.260 0.496 8.059 1.00 2.09 H new ATOM 0 HD2 ARG A 90 -11.294 2.827 9.460 1.00 2.56 H new ATOM 0 HD3 ARG A 90 -12.574 3.167 8.313 1.00 2.56 H new ATOM 0 HE ARG A 90 -12.814 0.538 9.592 1.00 3.28 H new ATOM 0 HH11 ARG A 90 -13.560 3.988 9.803 1.00 4.50 H new ATOM 0 HH12 ARG A 90 -14.939 3.738 10.879 1.00 4.50 H new ATOM 0 HH21 ARG A 90 -14.586 0.233 10.971 1.00 5.12 H new ATOM 0 HH22 ARG A 90 -15.516 1.624 11.536 1.00 5.12 H new ATOM 1167 N GLN A 91 -9.895 0.625 10.370 1.00 0.66 N ATOM 1168 CA GLN A 91 -10.209 0.701 11.793 1.00 0.63 C ATOM 1169 C GLN A 91 -8.947 0.710 12.657 1.00 0.58 C ATOM 1170 O GLN A 91 -8.865 1.451 13.637 1.00 0.58 O ATOM 1171 CB GLN A 91 -11.105 -0.471 12.197 1.00 0.69 C ATOM 1172 CG GLN A 91 -10.450 -1.829 12.010 1.00 0.83 C ATOM 1173 CD GLN A 91 -11.460 -2.955 11.900 1.00 0.80 C ATOM 1174 OE1 GLN A 91 -11.586 -3.782 12.802 1.00 1.35 O ATOM 1175 NE2 GLN A 91 -12.188 -2.989 10.790 1.00 1.12 N ATOM 0 H GLN A 91 -10.376 -0.124 9.872 1.00 0.66 H new ATOM 0 HA GLN A 91 -10.735 1.641 11.962 1.00 0.63 H new ATOM 0 HB2 GLN A 91 -11.391 -0.356 13.242 1.00 0.69 H new ATOM 0 HB3 GLN A 91 -12.023 -0.435 11.610 1.00 0.69 H new ATOM 0 HG2 GLN A 91 -9.834 -1.810 11.111 1.00 0.83 H new ATOM 0 HG3 GLN A 91 -9.783 -2.025 12.850 1.00 0.83 H new ATOM 0 HE21 GLN A 91 -12.050 -2.282 10.068 1.00 1.12 H new ATOM 0 HE22 GLN A 91 -12.885 -3.722 10.660 1.00 1.12 H new ATOM 1182 N VAL A 92 -7.974 -0.124 12.304 1.00 0.58 N ATOM 1183 CA VAL A 92 -6.733 -0.212 13.070 1.00 0.60 C ATOM 1184 C VAL A 92 -5.762 0.921 12.740 1.00 0.55 C ATOM 1185 O VAL A 92 -5.262 1.600 13.641 1.00 0.65 O ATOM 1186 CB VAL A 92 -6.025 -1.566 12.849 1.00 0.66 C ATOM 1187 CG1 VAL A 92 -6.895 -2.711 13.342 1.00 1.47 C ATOM 1188 CG2 VAL A 92 -5.661 -1.756 11.384 1.00 1.68 C ATOM 0 H VAL A 92 -8.019 -0.746 11.497 1.00 0.58 H new ATOM 0 HA VAL A 92 -7.023 -0.123 14.117 1.00 0.60 H new ATOM 0 HB VAL A 92 -5.101 -1.565 13.427 1.00 0.66 H new ATOM 0 HG11 VAL A 92 -6.379 -3.657 13.178 1.00 1.47 H new ATOM 0 HG12 VAL A 92 -7.093 -2.586 14.407 1.00 1.47 H new ATOM 0 HG13 VAL A 92 -7.838 -2.713 12.796 1.00 1.47 H new ATOM 0 HG21 VAL A 92 -5.163 -2.717 11.254 1.00 1.68 H new ATOM 0 HG22 VAL A 92 -6.567 -1.732 10.778 1.00 1.68 H new ATOM 0 HG23 VAL A 92 -4.992 -0.956 11.069 1.00 1.68 H new ATOM 1192 N VAL A 93 -5.488 1.124 11.454 1.00 0.48 N ATOM 1193 CA VAL A 93 -4.564 2.173 11.038 1.00 0.49 C ATOM 1194 C VAL A 93 -5.131 3.556 11.339 1.00 0.54 C ATOM 1195 O VAL A 93 -4.436 4.415 11.879 1.00 0.61 O ATOM 1196 CB VAL A 93 -4.195 2.061 9.541 1.00 0.51 C ATOM 1197 CG1 VAL A 93 -3.897 0.615 9.174 1.00 0.55 C ATOM 1198 CG2 VAL A 93 -5.295 2.623 8.651 1.00 0.69 C ATOM 0 H VAL A 93 -5.889 0.581 10.689 1.00 0.48 H new ATOM 0 HA VAL A 93 -3.651 2.036 11.617 1.00 0.49 H new ATOM 0 HB VAL A 93 -3.298 2.657 9.374 1.00 0.51 H new ATOM 0 HG11 VAL A 93 -3.639 0.554 8.117 1.00 0.55 H new ATOM 0 HG12 VAL A 93 -3.062 0.252 9.773 1.00 0.55 H new ATOM 0 HG13 VAL A 93 -4.777 0.001 9.369 1.00 0.55 H new ATOM 0 HG21 VAL A 93 -5.001 2.528 7.606 1.00 0.69 H new ATOM 0 HG22 VAL A 93 -6.219 2.069 8.820 1.00 0.69 H new ATOM 0 HG23 VAL A 93 -5.454 3.675 8.889 1.00 0.69 H new ATOM 1202 N GLU A 94 -6.402 3.762 11.007 1.00 0.59 N ATOM 1203 CA GLU A 94 -7.052 5.040 11.269 1.00 0.69 C ATOM 1204 C GLU A 94 -7.043 5.321 12.765 1.00 0.67 C ATOM 1205 O GLU A 94 -6.882 6.464 13.196 1.00 0.75 O ATOM 1206 CB GLU A 94 -8.488 5.036 10.742 1.00 0.78 C ATOM 1207 CG GLU A 94 -9.077 6.427 10.573 1.00 1.31 C ATOM 1208 CD GLU A 94 -9.695 6.958 11.852 1.00 1.58 C ATOM 1209 OE1 GLU A 94 -10.687 6.362 12.323 1.00 2.25 O ATOM 1210 OE2 GLU A 94 -9.187 7.967 12.384 1.00 1.98 O ATOM 0 H GLU A 94 -6.998 3.066 10.559 1.00 0.59 H new ATOM 0 HA GLU A 94 -6.502 5.825 10.751 1.00 0.69 H new ATOM 0 HB2 GLU A 94 -8.513 4.521 9.782 1.00 0.78 H new ATOM 0 HB3 GLU A 94 -9.116 4.465 11.426 1.00 0.78 H new ATOM 0 HG2 GLU A 94 -8.296 7.110 10.240 1.00 1.31 H new ATOM 0 HG3 GLU A 94 -9.835 6.404 9.790 1.00 1.31 H new ATOM 1217 N ARG A 95 -7.195 4.261 13.553 1.00 0.59 N ATOM 1218 CA ARG A 95 -7.181 4.382 15.003 1.00 0.61 C ATOM 1219 C ARG A 95 -5.782 4.757 15.471 1.00 0.70 C ATOM 1220 O ARG A 95 -5.604 5.692 16.254 1.00 0.77 O ATOM 1221 CB ARG A 95 -7.625 3.072 15.658 1.00 0.60 C ATOM 1222 CG ARG A 95 -7.584 3.105 17.176 1.00 0.87 C ATOM 1223 CD ARG A 95 -8.714 2.287 17.782 1.00 1.58 C ATOM 1224 NE ARG A 95 -8.689 2.314 19.243 1.00 2.18 N ATOM 1225 CZ ARG A 95 -9.729 1.994 20.010 1.00 2.92 C ATOM 1226 NH1 ARG A 95 -10.878 1.620 19.459 1.00 3.31 N ATOM 1227 NH2 ARG A 95 -9.620 2.045 21.330 1.00 3.75 N ATOM 0 H ARG A 95 -7.329 3.310 13.210 1.00 0.59 H new ATOM 0 HA ARG A 95 -7.880 5.164 15.298 1.00 0.61 H new ATOM 0 HB2 ARG A 95 -8.640 2.840 15.336 1.00 0.60 H new ATOM 0 HB3 ARG A 95 -6.986 2.264 15.303 1.00 0.60 H new ATOM 0 HG2 ARG A 95 -6.626 2.718 17.524 1.00 0.87 H new ATOM 0 HG3 ARG A 95 -7.655 4.137 17.521 1.00 0.87 H new ATOM 0 HD2 ARG A 95 -9.670 2.673 17.429 1.00 1.58 H new ATOM 0 HD3 ARG A 95 -8.640 1.256 17.437 1.00 1.58 H new ATOM 0 HE ARG A 95 -7.823 2.595 19.703 1.00 2.18 H new ATOM 0 HH11 ARG A 95 -10.967 1.577 18.444 1.00 3.31 H new ATOM 0 HH12 ARG A 95 -11.672 1.376 20.051 1.00 3.31 H new ATOM 0 HH21 ARG A 95 -8.739 2.330 21.758 1.00 3.75 H new ATOM 0 HH22 ARG A 95 -10.417 1.800 21.917 1.00 3.75 H new ATOM 1241 N GLU A 96 -4.787 4.034 14.964 1.00 0.73 N ATOM 1242 CA GLU A 96 -3.399 4.304 15.311 1.00 0.86 C ATOM 1243 C GLU A 96 -3.010 5.701 14.840 1.00 0.90 C ATOM 1244 O GLU A 96 -2.304 6.431 15.536 1.00 1.05 O ATOM 1245 CB GLU A 96 -2.477 3.256 14.683 1.00 0.93 C ATOM 1246 CG GLU A 96 -1.671 2.466 15.701 1.00 1.34 C ATOM 1247 CD GLU A 96 -0.935 1.295 15.081 1.00 1.68 C ATOM 1248 OE1 GLU A 96 -1.605 0.391 14.539 1.00 2.50 O ATOM 1249 OE2 GLU A 96 0.313 1.281 15.138 1.00 1.89 O ATOM 0 H GLU A 96 -4.918 3.259 14.313 1.00 0.73 H new ATOM 0 HA GLU A 96 -3.291 4.252 16.394 1.00 0.86 H new ATOM 0 HB2 GLU A 96 -3.077 2.564 14.091 1.00 0.93 H new ATOM 0 HB3 GLU A 96 -1.792 3.752 13.996 1.00 0.93 H new ATOM 0 HG2 GLU A 96 -0.952 3.129 16.182 1.00 1.34 H new ATOM 0 HG3 GLU A 96 -2.338 2.099 16.481 1.00 1.34 H new ATOM 1256 N ALA A 97 -3.494 6.069 13.657 1.00 0.83 N ATOM 1257 CA ALA A 97 -3.217 7.382 13.089 1.00 0.92 C ATOM 1258 C ALA A 97 -3.961 8.467 13.859 1.00 1.00 C ATOM 1259 O ALA A 97 -3.537 9.622 13.895 1.00 1.19 O ATOM 1260 CB ALA A 97 -3.603 7.416 11.618 1.00 0.87 C ATOM 0 H ALA A 97 -4.081 5.474 13.073 1.00 0.83 H new ATOM 0 HA ALA A 97 -2.147 7.574 13.172 1.00 0.92 H new ATOM 0 HB1 ALA A 97 -3.390 8.403 11.209 1.00 0.87 H new ATOM 0 HB2 ALA A 97 -3.029 6.666 11.074 1.00 0.87 H new ATOM 0 HB3 ALA A 97 -4.667 7.203 11.516 1.00 0.87 H new ATOM 1266 N SER A 98 -5.072 8.085 14.479 1.00 0.92 N ATOM 1267 CA SER A 98 -5.871 9.023 15.257 1.00 1.01 C ATOM 1268 C SER A 98 -5.286 9.188 16.654 1.00 1.07 C ATOM 1269 O SER A 98 -5.379 10.257 17.257 1.00 1.18 O ATOM 1270 CB SER A 98 -7.320 8.540 15.351 1.00 0.99 C ATOM 1271 OG SER A 98 -8.054 9.306 16.291 1.00 1.50 O ATOM 0 H SER A 98 -5.439 7.134 14.458 1.00 0.92 H new ATOM 0 HA SER A 98 -5.854 9.989 14.752 1.00 1.01 H new ATOM 0 HB2 SER A 98 -7.794 8.609 14.372 1.00 0.99 H new ATOM 0 HB3 SER A 98 -7.338 7.489 15.640 1.00 0.99 H new ATOM 0 HG SER A 98 -8.977 8.978 16.331 1.00 1.50 H new ATOM 1277 N GLU A 99 -4.680 8.119 17.163 1.00 1.04 N ATOM 1278 CA GLU A 99 -4.074 8.140 18.488 1.00 1.13 C ATOM 1279 C GLU A 99 -2.649 8.686 18.431 1.00 1.27 C ATOM 1280 O GLU A 99 -2.167 9.289 19.389 1.00 1.45 O ATOM 1281 CB GLU A 99 -4.068 6.735 19.093 1.00 1.07 C ATOM 1282 CG GLU A 99 -3.535 6.687 20.515 1.00 1.76 C ATOM 1283 CD GLU A 99 -2.059 6.346 20.572 1.00 2.27 C ATOM 1284 OE1 GLU A 99 -1.707 5.182 20.290 1.00 2.68 O ATOM 1285 OE2 GLU A 99 -1.255 7.244 20.899 1.00 2.88 O ATOM 0 H GLU A 99 -4.596 7.227 16.676 1.00 1.04 H new ATOM 0 HA GLU A 99 -4.671 8.799 19.119 1.00 1.13 H new ATOM 0 HB2 GLU A 99 -5.083 6.339 19.081 1.00 1.07 H new ATOM 0 HB3 GLU A 99 -3.463 6.081 18.465 1.00 1.07 H new ATOM 0 HG2 GLU A 99 -3.700 7.652 20.994 1.00 1.76 H new ATOM 0 HG3 GLU A 99 -4.097 5.948 21.085 1.00 1.76 H new ATOM 1292 N GLN A 100 -1.979 8.465 17.303 1.00 1.22 N ATOM 1293 CA GLN A 100 -0.608 8.933 17.128 1.00 1.37 C ATOM 1294 C GLN A 100 -0.538 10.458 17.175 1.00 1.48 C ATOM 1295 O GLN A 100 0.492 11.030 17.532 1.00 1.63 O ATOM 1296 CB GLN A 100 -0.031 8.412 15.805 1.00 1.33 C ATOM 1297 CG GLN A 100 -0.505 9.176 14.576 1.00 1.96 C ATOM 1298 CD GLN A 100 0.276 8.811 13.327 1.00 2.38 C ATOM 1299 OE1 GLN A 100 -0.303 8.448 12.303 1.00 3.19 O ATOM 1300 NE2 GLN A 100 1.598 8.907 13.407 1.00 2.35 N ATOM 0 H GLN A 100 -2.362 7.967 16.500 1.00 1.22 H new ATOM 0 HA GLN A 100 -0.009 8.542 17.951 1.00 1.37 H new ATOM 0 HB2 GLN A 100 1.057 8.460 15.852 1.00 1.33 H new ATOM 0 HB3 GLN A 100 -0.300 7.362 15.693 1.00 1.33 H new ATOM 0 HG2 GLN A 100 -1.563 8.972 14.411 1.00 1.96 H new ATOM 0 HG3 GLN A 100 -0.411 10.246 14.759 1.00 1.96 H new ATOM 0 HE21 GLN A 100 2.035 9.212 14.276 1.00 2.35 H new ATOM 0 HE22 GLN A 100 2.176 8.675 12.599 1.00 2.35 H new ATOM 1307 N GLU A 101 -1.638 11.110 16.810 1.00 1.44 N ATOM 1308 CA GLU A 101 -1.701 12.569 16.807 1.00 1.59 C ATOM 1309 C GLU A 101 -0.793 13.148 15.725 1.00 1.58 C ATOM 1310 O GLU A 101 0.007 14.046 15.985 1.00 1.81 O ATOM 1311 CB GLU A 101 -1.304 13.124 18.178 1.00 1.80 C ATOM 1312 CG GLU A 101 -2.005 12.438 19.340 1.00 2.02 C ATOM 1313 CD GLU A 101 -3.149 13.261 19.899 1.00 1.97 C ATOM 1314 OE1 GLU A 101 -3.938 13.804 19.097 1.00 2.68 O ATOM 1315 OE2 GLU A 101 -3.256 13.363 21.140 1.00 2.04 O ATOM 0 H GLU A 101 -2.499 10.651 16.512 1.00 1.44 H new ATOM 0 HA GLU A 101 -2.728 12.864 16.591 1.00 1.59 H new ATOM 0 HB2 GLU A 101 -0.226 13.022 18.304 1.00 1.80 H new ATOM 0 HB3 GLU A 101 -1.529 14.190 18.208 1.00 1.80 H new ATOM 0 HG2 GLU A 101 -2.385 11.471 19.010 1.00 2.02 H new ATOM 0 HG3 GLU A 101 -1.282 12.243 20.132 1.00 2.02 H new ATOM 1322 N LYS A 102 -0.927 12.628 14.509 1.00 1.36 N ATOM 1323 CA LYS A 102 -0.122 13.091 13.385 1.00 1.36 C ATOM 1324 C LYS A 102 -0.936 13.080 12.092 1.00 1.24 C ATOM 1325 O LYS A 102 -2.005 12.471 12.028 1.00 1.16 O ATOM 1326 CB LYS A 102 1.123 12.214 13.227 1.00 1.37 C ATOM 1327 CG LYS A 102 2.360 12.786 13.899 1.00 1.77 C ATOM 1328 CD LYS A 102 2.376 12.484 15.390 1.00 2.28 C ATOM 1329 CE LYS A 102 3.681 11.829 15.814 1.00 2.19 C ATOM 1330 NZ LYS A 102 3.792 10.434 15.307 1.00 2.36 N ATOM 0 H LYS A 102 -1.586 11.885 14.277 1.00 1.36 H new ATOM 0 HA LYS A 102 0.188 14.116 13.589 1.00 1.36 H new ATOM 0 HB2 LYS A 102 0.917 11.228 13.643 1.00 1.37 H new ATOM 0 HB3 LYS A 102 1.328 12.076 12.165 1.00 1.37 H new ATOM 0 HG2 LYS A 102 3.253 12.370 13.433 1.00 1.77 H new ATOM 0 HG3 LYS A 102 2.393 13.865 13.745 1.00 1.77 H new ATOM 0 HD2 LYS A 102 2.233 13.408 15.951 1.00 2.28 H new ATOM 0 HD3 LYS A 102 1.542 11.828 15.638 1.00 2.28 H new ATOM 0 HE2 LYS A 102 4.520 12.418 15.443 1.00 2.19 H new ATOM 0 HE3 LYS A 102 3.749 11.826 16.902 1.00 2.19 H new ATOM 0 HZ1 LYS A 102 4.757 10.081 15.469 1.00 2.36 H new ATOM 0 HZ2 LYS A 102 3.113 9.827 15.809 1.00 2.36 H new ATOM 0 HZ3 LYS A 102 3.584 10.417 14.288 1.00 2.36 H new ATOM 1344 N PRO A 103 -0.439 13.755 11.041 1.00 1.27 N ATOM 1345 CA PRO A 103 -1.128 13.819 9.747 1.00 1.21 C ATOM 1346 C PRO A 103 -1.264 12.445 9.099 1.00 1.01 C ATOM 1347 O PRO A 103 -0.326 11.647 9.110 1.00 0.97 O ATOM 1348 CB PRO A 103 -0.229 14.725 8.900 1.00 1.28 C ATOM 1349 CG PRO A 103 1.104 14.681 9.564 1.00 1.36 C ATOM 1350 CD PRO A 103 0.827 14.507 11.029 1.00 1.42 C ATOM 0 HA PRO A 103 -2.148 14.191 9.848 1.00 1.21 H new ATOM 0 HB2 PRO A 103 -0.169 14.370 7.871 1.00 1.28 H new ATOM 0 HB3 PRO A 103 -0.618 15.743 8.863 1.00 1.28 H new ATOM 0 HG2 PRO A 103 1.705 13.857 9.179 1.00 1.36 H new ATOM 0 HG3 PRO A 103 1.664 15.598 9.378 1.00 1.36 H new ATOM 0 HD2 PRO A 103 1.626 13.959 11.528 1.00 1.42 H new ATOM 0 HD3 PRO A 103 0.731 15.466 11.538 1.00 1.42 H new ATOM 1358 N LEU A 104 -2.437 12.177 8.535 1.00 1.00 N ATOM 1359 CA LEU A 104 -2.698 10.899 7.882 1.00 0.93 C ATOM 1360 C LEU A 104 -1.932 10.781 6.566 1.00 0.85 C ATOM 1361 O LEU A 104 -1.745 9.682 6.044 1.00 0.78 O ATOM 1362 CB LEU A 104 -4.197 10.727 7.631 1.00 1.11 C ATOM 1363 CG LEU A 104 -4.977 10.089 8.782 1.00 1.03 C ATOM 1364 CD1 LEU A 104 -6.475 10.214 8.548 1.00 1.40 C ATOM 1365 CD2 LEU A 104 -4.581 8.629 8.950 1.00 1.51 C ATOM 0 H LEU A 104 -3.222 12.828 8.517 1.00 1.00 H new ATOM 0 HA LEU A 104 -2.353 10.108 8.548 1.00 0.93 H new ATOM 0 HB2 LEU A 104 -4.629 11.705 7.418 1.00 1.11 H new ATOM 0 HB3 LEU A 104 -4.333 10.117 6.738 1.00 1.11 H new ATOM 0 HG LEU A 104 -4.729 10.620 9.701 1.00 1.03 H new ATOM 0 HD11 LEU A 104 -7.012 9.754 9.377 1.00 1.40 H new ATOM 0 HD12 LEU A 104 -6.746 11.268 8.480 1.00 1.40 H new ATOM 0 HD13 LEU A 104 -6.741 9.710 7.619 1.00 1.40 H new ATOM 0 HD21 LEU A 104 -5.146 8.191 9.773 1.00 1.51 H new ATOM 0 HD22 LEU A 104 -4.799 8.085 8.031 1.00 1.51 H new ATOM 0 HD23 LEU A 104 -3.515 8.564 9.166 1.00 1.51 H new ATOM 1371 N MET A 105 -1.490 11.918 6.029 1.00 0.98 N ATOM 1372 CA MET A 105 -0.744 11.934 4.773 1.00 0.99 C ATOM 1373 C MET A 105 0.392 10.915 4.800 1.00 0.76 C ATOM 1374 O MET A 105 0.506 10.072 3.910 1.00 0.81 O ATOM 1375 CB MET A 105 -0.188 13.334 4.502 1.00 1.22 C ATOM 1376 CG MET A 105 -0.846 14.032 3.322 1.00 1.08 C ATOM 1377 SD MET A 105 -2.472 14.697 3.727 1.00 1.56 S ATOM 1378 CE MET A 105 -3.427 13.189 3.871 1.00 1.27 C ATOM 0 H MET A 105 -1.636 12.838 6.444 1.00 0.98 H new ATOM 0 HA MET A 105 -1.429 11.663 3.969 1.00 0.99 H new ATOM 0 HB2 MET A 105 -0.318 13.946 5.394 1.00 1.22 H new ATOM 0 HB3 MET A 105 0.884 13.261 4.319 1.00 1.22 H new ATOM 0 HG2 MET A 105 -0.202 14.842 2.979 1.00 1.08 H new ATOM 0 HG3 MET A 105 -0.941 13.328 2.495 1.00 1.08 H new ATOM 0 HE1 MET A 105 -4.453 13.377 3.556 1.00 1.27 H new ATOM 0 HE2 MET A 105 -2.988 12.418 3.237 1.00 1.27 H new ATOM 0 HE3 MET A 105 -3.422 12.853 4.908 1.00 1.27 H new ATOM 1388 N ALA A 106 1.227 10.996 5.830 1.00 0.70 N ATOM 1389 CA ALA A 106 2.349 10.079 5.978 1.00 0.63 C ATOM 1390 C ALA A 106 1.871 8.700 6.419 1.00 0.54 C ATOM 1391 O ALA A 106 2.488 7.685 6.100 1.00 0.61 O ATOM 1392 CB ALA A 106 3.357 10.635 6.973 1.00 0.84 C ATOM 0 H ALA A 106 1.147 11.688 6.575 1.00 0.70 H new ATOM 0 HA ALA A 106 2.835 9.975 5.008 1.00 0.63 H new ATOM 0 HB1 ALA A 106 4.190 9.940 7.074 1.00 0.84 H new ATOM 0 HB2 ALA A 106 3.728 11.596 6.617 1.00 0.84 H new ATOM 0 HB3 ALA A 106 2.876 10.768 7.942 1.00 0.84 H new ATOM 1398 N HIS A 107 0.762 8.674 7.156 1.00 0.53 N ATOM 1399 CA HIS A 107 0.197 7.421 7.644 1.00 0.60 C ATOM 1400 C HIS A 107 -0.107 6.472 6.490 1.00 0.55 C ATOM 1401 O HIS A 107 0.206 5.284 6.556 1.00 0.70 O ATOM 1402 CB HIS A 107 -1.077 7.687 8.449 1.00 0.70 C ATOM 1403 CG HIS A 107 -1.417 6.588 9.408 1.00 1.22 C ATOM 1404 ND1 HIS A 107 -0.900 6.516 10.684 1.00 1.79 N ATOM 1405 CD2 HIS A 107 -2.226 5.511 9.270 1.00 1.93 C ATOM 1406 CE1 HIS A 107 -1.374 5.442 11.289 1.00 2.26 C ATOM 1407 NE2 HIS A 107 -2.180 4.815 10.453 1.00 2.34 N ATOM 0 H HIS A 107 0.239 9.506 7.427 1.00 0.53 H new ATOM 0 HA HIS A 107 0.936 6.950 8.292 1.00 0.60 H new ATOM 0 HB2 HIS A 107 -0.960 8.619 9.003 1.00 0.70 H new ATOM 0 HB3 HIS A 107 -1.910 7.828 7.760 1.00 0.70 H new ATOM 0 HD1 HIS A 107 -0.252 7.187 11.096 1.00 1.79 H new ATOM 0 HD2 HIS A 107 -2.800 5.248 8.394 1.00 1.93 H new ATOM 0 HE1 HIS A 107 -1.142 5.130 12.296 1.00 2.26 H new ATOM 1416 N TRP A 108 -0.713 7.002 5.433 1.00 0.47 N ATOM 1417 CA TRP A 108 -1.049 6.194 4.267 1.00 0.46 C ATOM 1418 C TRP A 108 0.218 5.742 3.550 1.00 0.43 C ATOM 1419 O TRP A 108 0.397 4.555 3.271 1.00 0.47 O ATOM 1420 CB TRP A 108 -1.946 6.982 3.309 1.00 0.55 C ATOM 1421 CG TRP A 108 -3.366 6.500 3.297 1.00 0.56 C ATOM 1422 CD1 TRP A 108 -3.899 5.538 2.487 1.00 0.94 C ATOM 1423 CD2 TRP A 108 -4.433 6.957 4.133 1.00 0.94 C ATOM 1424 NE1 TRP A 108 -5.233 5.371 2.769 1.00 0.81 N ATOM 1425 CE2 TRP A 108 -5.584 6.230 3.778 1.00 0.78 C ATOM 1426 CE3 TRP A 108 -4.526 7.909 5.150 1.00 1.75 C ATOM 1427 CZ2 TRP A 108 -6.813 6.428 4.404 1.00 1.22 C ATOM 1428 CZ3 TRP A 108 -5.746 8.105 5.770 1.00 2.30 C ATOM 1429 CH2 TRP A 108 -6.875 7.367 5.396 1.00 2.00 C ATOM 0 H TRP A 108 -0.981 7.984 5.360 1.00 0.47 H new ATOM 0 HA TRP A 108 -1.592 5.312 4.605 1.00 0.46 H new ATOM 0 HB2 TRP A 108 -1.929 8.035 3.589 1.00 0.55 H new ATOM 0 HB3 TRP A 108 -1.538 6.914 2.301 1.00 0.55 H new ATOM 0 HD1 TRP A 108 -3.352 4.989 1.735 1.00 0.94 H new ATOM 0 HE1 TRP A 108 -5.860 4.715 2.304 1.00 0.81 H new ATOM 0 HE3 TRP A 108 -3.660 8.482 5.447 1.00 1.75 H new ATOM 0 HZ2 TRP A 108 -7.685 5.860 4.116 1.00 1.22 H new ATOM 0 HZ3 TRP A 108 -5.829 8.840 6.557 1.00 2.30 H new ATOM 0 HH2 TRP A 108 -7.813 7.543 5.901 1.00 2.00 H new ATOM 1440 N ALA A 109 1.101 6.696 3.263 1.00 0.47 N ATOM 1441 CA ALA A 109 2.358 6.398 2.587 1.00 0.51 C ATOM 1442 C ALA A 109 3.144 5.345 3.356 1.00 0.49 C ATOM 1443 O ALA A 109 3.790 4.478 2.765 1.00 0.64 O ATOM 1444 CB ALA A 109 3.184 7.665 2.425 1.00 0.62 C ATOM 0 H ALA A 109 0.968 7.682 3.489 1.00 0.47 H new ATOM 0 HA ALA A 109 2.132 6.001 1.597 1.00 0.51 H new ATOM 0 HB1 ALA A 109 4.120 7.427 1.919 1.00 0.62 H new ATOM 0 HB2 ALA A 109 2.625 8.390 1.833 1.00 0.62 H new ATOM 0 HB3 ALA A 109 3.400 8.087 3.407 1.00 0.62 H new ATOM 1450 N HIS A 110 3.076 5.420 4.681 1.00 0.44 N ATOM 1451 CA HIS A 110 3.771 4.468 5.539 1.00 0.53 C ATOM 1452 C HIS A 110 2.977 3.170 5.646 1.00 0.60 C ATOM 1453 O HIS A 110 3.534 2.074 5.543 1.00 0.86 O ATOM 1454 CB HIS A 110 3.987 5.065 6.931 1.00 0.57 C ATOM 1455 CG HIS A 110 5.221 4.562 7.613 1.00 1.03 C ATOM 1456 ND1 HIS A 110 6.492 4.965 7.264 1.00 1.58 N ATOM 1457 CD2 HIS A 110 5.375 3.681 8.632 1.00 1.90 C ATOM 1458 CE1 HIS A 110 7.374 4.355 8.036 1.00 1.93 C ATOM 1459 NE2 HIS A 110 6.721 3.572 8.874 1.00 2.16 N ATOM 0 H HIS A 110 2.546 6.131 5.184 1.00 0.44 H new ATOM 0 HA HIS A 110 4.742 4.250 5.095 1.00 0.53 H new ATOM 0 HB2 HIS A 110 4.045 6.150 6.847 1.00 0.57 H new ATOM 0 HB3 HIS A 110 3.121 4.839 7.553 1.00 0.57 H new ATOM 0 HD2 HIS A 110 4.586 3.162 9.155 1.00 1.90 H new ATOM 0 HE1 HIS A 110 8.446 4.476 7.989 1.00 1.93 H new ATOM 0 HE2 HIS A 110 7.148 2.981 9.587 1.00 2.16 H new ATOM 1468 N MET A 111 1.670 3.304 5.850 1.00 0.50 N ATOM 1469 CA MET A 111 0.788 2.151 5.971 1.00 0.59 C ATOM 1470 C MET A 111 0.891 1.251 4.745 1.00 0.59 C ATOM 1471 O MET A 111 1.023 0.034 4.867 1.00 0.78 O ATOM 1472 CB MET A 111 -0.660 2.611 6.155 1.00 0.63 C ATOM 1473 CG MET A 111 -1.040 2.875 7.604 1.00 1.24 C ATOM 1474 SD MET A 111 -0.830 1.429 8.663 1.00 2.04 S ATOM 1475 CE MET A 111 -1.333 0.111 7.558 1.00 1.59 C ATOM 0 H MET A 111 1.198 4.204 5.935 1.00 0.50 H new ATOM 0 HA MET A 111 1.099 1.579 6.845 1.00 0.59 H new ATOM 0 HB2 MET A 111 -0.819 3.521 5.576 1.00 0.63 H new ATOM 0 HB3 MET A 111 -1.327 1.852 5.746 1.00 0.63 H new ATOM 0 HG2 MET A 111 -0.431 3.693 7.990 1.00 1.24 H new ATOM 0 HG3 MET A 111 -2.079 3.203 7.648 1.00 1.24 H new ATOM 0 HE1 MET A 111 -1.582 -0.777 8.140 1.00 1.59 H new ATOM 0 HE2 MET A 111 -2.206 0.428 6.988 1.00 1.59 H new ATOM 0 HE3 MET A 111 -0.517 -0.121 6.873 1.00 1.59 H new ATOM 1485 N VAL A 112 0.828 1.857 3.563 1.00 0.51 N ATOM 1486 CA VAL A 112 0.911 1.102 2.318 1.00 0.58 C ATOM 1487 C VAL A 112 2.249 0.376 2.197 1.00 0.64 C ATOM 1488 O VAL A 112 2.289 -0.827 1.944 1.00 0.78 O ATOM 1489 CB VAL A 112 0.709 2.007 1.086 1.00 0.59 C ATOM 1490 CG1 VAL A 112 -0.722 2.522 1.031 1.00 1.46 C ATOM 1491 CG2 VAL A 112 1.697 3.164 1.093 1.00 1.42 C ATOM 0 H VAL A 112 0.720 2.864 3.442 1.00 0.51 H new ATOM 0 HA VAL A 112 0.107 0.367 2.347 1.00 0.58 H new ATOM 0 HB VAL A 112 0.895 1.411 0.193 1.00 0.59 H new ATOM 0 HG11 VAL A 112 -0.846 3.159 0.155 1.00 1.46 H new ATOM 0 HG12 VAL A 112 -1.410 1.679 0.967 1.00 1.46 H new ATOM 0 HG13 VAL A 112 -0.936 3.098 1.931 1.00 1.46 H new ATOM 0 HG21 VAL A 112 1.534 3.787 0.214 1.00 1.42 H new ATOM 0 HG22 VAL A 112 1.552 3.761 1.993 1.00 1.42 H new ATOM 0 HG23 VAL A 112 2.715 2.774 1.077 1.00 1.42 H new ATOM 1495 N VAL A 113 3.344 1.108 2.381 1.00 0.61 N ATOM 1496 CA VAL A 113 4.674 0.519 2.287 1.00 0.72 C ATOM 1497 C VAL A 113 4.858 -0.588 3.320 1.00 0.82 C ATOM 1498 O VAL A 113 5.552 -1.573 3.067 1.00 1.03 O ATOM 1499 CB VAL A 113 5.777 1.580 2.470 1.00 0.73 C ATOM 1500 CG1 VAL A 113 5.678 2.226 3.841 1.00 0.97 C ATOM 1501 CG2 VAL A 113 7.156 0.970 2.256 1.00 0.63 C ATOM 0 H VAL A 113 3.336 2.105 2.595 1.00 0.61 H new ATOM 0 HA VAL A 113 4.763 0.093 1.288 1.00 0.72 H new ATOM 0 HB VAL A 113 5.631 2.355 1.718 1.00 0.73 H new ATOM 0 HG11 VAL A 113 6.466 2.972 3.950 1.00 0.97 H new ATOM 0 HG12 VAL A 113 4.706 2.707 3.947 1.00 0.97 H new ATOM 0 HG13 VAL A 113 5.792 1.463 4.612 1.00 0.97 H new ATOM 0 HG21 VAL A 113 7.918 1.738 2.390 1.00 0.63 H new ATOM 0 HG22 VAL A 113 7.316 0.170 2.978 1.00 0.63 H new ATOM 0 HG23 VAL A 113 7.222 0.566 1.246 1.00 0.63 H new ATOM 1505 N HIS A 114 4.231 -0.427 4.482 1.00 0.75 N ATOM 1506 CA HIS A 114 4.334 -1.426 5.540 1.00 0.85 C ATOM 1507 C HIS A 114 3.432 -2.622 5.241 1.00 0.96 C ATOM 1508 O HIS A 114 3.852 -3.773 5.350 1.00 1.08 O ATOM 1509 CB HIS A 114 3.981 -0.803 6.902 1.00 0.89 C ATOM 1510 CG HIS A 114 2.845 -1.474 7.621 1.00 0.99 C ATOM 1511 ND1 HIS A 114 1.635 -1.002 8.002 1.00 1.39 N flip ATOM 1512 CD2 HIS A 114 2.882 -2.793 8.020 1.00 1.57 C flip ATOM 1513 CE1 HIS A 114 0.968 -2.034 8.617 1.00 1.30 C flip ATOM 1514 NE2 HIS A 114 1.743 -3.104 8.613 1.00 1.36 N flip ATOM 0 H HIS A 114 3.651 0.379 4.713 1.00 0.75 H new ATOM 0 HA HIS A 114 5.364 -1.781 5.581 1.00 0.85 H new ATOM 0 HB2 HIS A 114 4.865 -0.831 7.540 1.00 0.89 H new ATOM 0 HB3 HIS A 114 3.729 0.247 6.752 1.00 0.89 H new ATOM 0 HD2 HIS A 114 3.713 -3.467 7.871 1.00 1.57 H new ATOM 0 HE1 HIS A 114 -0.026 -1.979 9.035 1.00 1.30 H new ATOM 0 HE2 HIS A 114 1.503 -4.016 9.002 1.00 1.36 H new ATOM 1523 N GLY A 115 2.190 -2.335 4.871 1.00 1.03 N ATOM 1524 CA GLY A 115 1.241 -3.389 4.569 1.00 1.18 C ATOM 1525 C GLY A 115 1.571 -4.133 3.288 1.00 1.20 C ATOM 1526 O GLY A 115 1.086 -5.244 3.071 1.00 1.36 O ATOM 0 H GLY A 115 1.822 -1.388 4.775 1.00 1.03 H new ATOM 0 HA2 GLY A 115 1.216 -4.097 5.398 1.00 1.18 H new ATOM 0 HA3 GLY A 115 0.243 -2.959 4.487 1.00 1.18 H new ATOM 1530 N SER A 116 2.390 -3.525 2.435 1.00 1.17 N ATOM 1531 CA SER A 116 2.768 -4.150 1.171 1.00 1.26 C ATOM 1532 C SER A 116 3.996 -5.039 1.333 1.00 1.36 C ATOM 1533 O SER A 116 3.912 -6.257 1.203 1.00 1.63 O ATOM 1534 CB SER A 116 3.040 -3.086 0.106 1.00 1.31 C ATOM 1535 OG SER A 116 2.741 -3.574 -1.191 1.00 1.72 O ATOM 0 H SER A 116 2.803 -2.606 2.594 1.00 1.17 H new ATOM 0 HA SER A 116 1.933 -4.774 0.853 1.00 1.26 H new ATOM 0 HB2 SER A 116 2.440 -2.200 0.312 1.00 1.31 H new ATOM 0 HB3 SER A 116 4.085 -2.781 0.151 1.00 1.31 H new ATOM 0 HG SER A 116 2.922 -2.875 -1.853 1.00 1.72 H new ATOM 1541 N LEU A 117 5.139 -4.417 1.603 1.00 1.28 N ATOM 1542 CA LEU A 117 6.399 -5.140 1.764 1.00 1.49 C ATOM 1543 C LEU A 117 6.256 -6.352 2.685 1.00 1.69 C ATOM 1544 O LEU A 117 6.769 -7.430 2.386 1.00 1.94 O ATOM 1545 CB LEU A 117 7.477 -4.186 2.297 1.00 1.49 C ATOM 1546 CG LEU A 117 8.668 -4.846 3.000 1.00 1.78 C ATOM 1547 CD1 LEU A 117 9.375 -5.811 2.064 1.00 2.07 C ATOM 1548 CD2 LEU A 117 9.636 -3.790 3.506 1.00 2.38 C ATOM 0 H LEU A 117 5.220 -3.407 1.716 1.00 1.28 H new ATOM 0 HA LEU A 117 6.694 -5.517 0.785 1.00 1.49 H new ATOM 0 HB2 LEU A 117 7.855 -3.594 1.463 1.00 1.49 H new ATOM 0 HB3 LEU A 117 7.008 -3.492 2.994 1.00 1.49 H new ATOM 0 HG LEU A 117 8.293 -5.410 3.854 1.00 1.78 H new ATOM 0 HD11 LEU A 117 10.218 -6.269 2.582 1.00 2.07 H new ATOM 0 HD12 LEU A 117 8.678 -6.587 1.747 1.00 2.07 H new ATOM 0 HD13 LEU A 117 9.737 -5.270 1.190 1.00 2.07 H new ATOM 0 HD21 LEU A 117 10.476 -4.275 4.003 1.00 2.38 H new ATOM 0 HD22 LEU A 117 10.002 -3.200 2.666 1.00 2.38 H new ATOM 0 HD23 LEU A 117 9.125 -3.136 4.213 1.00 2.38 H new ATOM 1554 N HIS A 118 5.575 -6.168 3.807 1.00 1.70 N ATOM 1555 CA HIS A 118 5.389 -7.250 4.770 1.00 2.04 C ATOM 1556 C HIS A 118 4.753 -8.483 4.129 1.00 2.25 C ATOM 1557 O HIS A 118 5.121 -9.614 4.450 1.00 2.60 O ATOM 1558 CB HIS A 118 4.527 -6.772 5.939 1.00 2.10 C ATOM 1559 CG HIS A 118 5.323 -6.248 7.094 1.00 2.30 C ATOM 1560 ND1 HIS A 118 4.923 -6.384 8.407 1.00 2.63 N ATOM 1561 CD2 HIS A 118 6.504 -5.586 7.129 1.00 2.93 C ATOM 1562 CE1 HIS A 118 5.823 -5.827 9.199 1.00 3.13 C ATOM 1563 NE2 HIS A 118 6.792 -5.336 8.449 1.00 3.28 N ATOM 0 H HIS A 118 5.143 -5.284 4.075 1.00 1.70 H new ATOM 0 HA HIS A 118 6.376 -7.536 5.134 1.00 2.04 H new ATOM 0 HB2 HIS A 118 3.854 -5.990 5.588 1.00 2.10 H new ATOM 0 HB3 HIS A 118 3.904 -7.598 6.282 1.00 2.10 H new ATOM 0 HD2 HIS A 118 7.107 -5.307 6.278 1.00 2.93 H new ATOM 0 HE1 HIS A 118 5.774 -5.781 10.277 1.00 3.13 H new ATOM 0 HE2 HIS A 118 7.620 -4.850 8.793 1.00 3.28 H new ATOM 1572 N LEU A 119 3.785 -8.267 3.244 1.00 2.15 N ATOM 1573 CA LEU A 119 3.093 -9.376 2.589 1.00 2.45 C ATOM 1574 C LEU A 119 3.628 -9.653 1.186 1.00 2.53 C ATOM 1575 O LEU A 119 3.458 -10.752 0.657 1.00 2.98 O ATOM 1576 CB LEU A 119 1.590 -9.098 2.528 1.00 2.52 C ATOM 1577 CG LEU A 119 0.699 -10.287 2.903 1.00 2.47 C ATOM 1578 CD1 LEU A 119 -0.134 -9.965 4.134 1.00 3.30 C ATOM 1579 CD2 LEU A 119 -0.198 -10.674 1.737 1.00 2.27 C ATOM 0 H LEU A 119 3.462 -7.341 2.964 1.00 2.15 H new ATOM 0 HA LEU A 119 3.280 -10.267 3.189 1.00 2.45 H new ATOM 0 HB2 LEU A 119 1.362 -8.267 3.195 1.00 2.52 H new ATOM 0 HB3 LEU A 119 1.335 -8.776 1.518 1.00 2.52 H new ATOM 0 HG LEU A 119 1.342 -11.135 3.137 1.00 2.47 H new ATOM 0 HD11 LEU A 119 -0.760 -10.822 4.384 1.00 3.30 H new ATOM 0 HD12 LEU A 119 0.526 -9.741 4.972 1.00 3.30 H new ATOM 0 HD13 LEU A 119 -0.766 -9.101 3.930 1.00 3.30 H new ATOM 0 HD21 LEU A 119 -0.823 -11.520 2.024 1.00 2.27 H new ATOM 0 HD22 LEU A 119 -0.832 -9.829 1.470 1.00 2.27 H new ATOM 0 HD23 LEU A 119 0.417 -10.951 0.881 1.00 2.27 H new ATOM 1585 N LEU A 120 4.254 -8.657 0.578 1.00 2.25 N ATOM 1586 CA LEU A 120 4.786 -8.804 -0.770 1.00 2.47 C ATOM 1587 C LEU A 120 6.263 -9.181 -0.749 1.00 2.57 C ATOM 1588 O LEU A 120 6.636 -10.291 -1.130 1.00 3.07 O ATOM 1589 CB LEU A 120 4.576 -7.503 -1.558 1.00 2.62 C ATOM 1590 CG LEU A 120 5.623 -7.195 -2.635 1.00 2.70 C ATOM 1591 CD1 LEU A 120 5.777 -8.369 -3.589 1.00 3.20 C ATOM 1592 CD2 LEU A 120 5.249 -5.931 -3.397 1.00 2.88 C ATOM 0 H LEU A 120 4.406 -7.739 0.995 1.00 2.25 H new ATOM 0 HA LEU A 120 4.247 -9.614 -1.262 1.00 2.47 H new ATOM 0 HB2 LEU A 120 3.596 -7.543 -2.033 1.00 2.62 H new ATOM 0 HB3 LEU A 120 4.555 -6.673 -0.852 1.00 2.62 H new ATOM 0 HG LEU A 120 6.581 -7.030 -2.142 1.00 2.70 H new ATOM 0 HD11 LEU A 120 6.525 -8.128 -4.345 1.00 3.20 H new ATOM 0 HD12 LEU A 120 6.094 -9.251 -3.032 1.00 3.20 H new ATOM 0 HD13 LEU A 120 4.822 -8.571 -4.075 1.00 3.20 H new ATOM 0 HD21 LEU A 120 6.003 -5.728 -4.157 1.00 2.88 H new ATOM 0 HD22 LEU A 120 4.279 -6.068 -3.875 1.00 2.88 H new ATOM 0 HD23 LEU A 120 5.196 -5.091 -2.705 1.00 2.88 H new ATOM 1598 N GLY A 121 7.098 -8.245 -0.321 1.00 2.56 N ATOM 1599 CA GLY A 121 8.524 -8.493 -0.281 1.00 3.27 C ATOM 1600 C GLY A 121 9.265 -7.667 -1.311 1.00 3.49 C ATOM 1601 O GLY A 121 9.778 -8.204 -2.293 1.00 4.12 O ATOM 0 H GLY A 121 6.813 -7.319 -0.001 1.00 2.56 H new ATOM 0 HA2 GLY A 121 8.906 -8.262 0.714 1.00 3.27 H new ATOM 0 HA3 GLY A 121 8.714 -9.552 -0.458 1.00 3.27 H new ATOM 1605 N TYR A 122 9.302 -6.353 -1.086 1.00 3.41 N ATOM 1606 CA TYR A 122 9.968 -5.410 -1.991 1.00 4.05 C ATOM 1607 C TYR A 122 11.225 -6.006 -2.626 1.00 4.04 C ATOM 1608 O TYR A 122 11.577 -5.667 -3.755 1.00 4.29 O ATOM 1609 CB TYR A 122 10.329 -4.126 -1.239 1.00 4.92 C ATOM 1610 CG TYR A 122 9.163 -3.175 -1.037 1.00 4.99 C ATOM 1611 CD1 TYR A 122 7.849 -3.586 -1.244 1.00 5.29 C ATOM 1612 CD2 TYR A 122 9.381 -1.863 -0.636 1.00 5.07 C ATOM 1613 CE1 TYR A 122 6.791 -2.716 -1.058 1.00 5.72 C ATOM 1614 CE2 TYR A 122 8.328 -0.988 -0.448 1.00 5.49 C ATOM 1615 CZ TYR A 122 7.036 -1.420 -0.660 1.00 5.83 C ATOM 1616 OH TYR A 122 5.986 -0.551 -0.473 1.00 6.50 O ATOM 0 H TYR A 122 8.872 -5.911 -0.273 1.00 3.41 H new ATOM 0 HA TYR A 122 9.267 -5.185 -2.795 1.00 4.05 H new ATOM 0 HB2 TYR A 122 10.740 -4.392 -0.265 1.00 4.92 H new ATOM 0 HB3 TYR A 122 11.116 -3.607 -1.786 1.00 4.92 H new ATOM 0 HD1 TYR A 122 7.653 -4.601 -1.555 1.00 5.29 H new ATOM 0 HD2 TYR A 122 10.391 -1.521 -0.468 1.00 5.07 H new ATOM 0 HE1 TYR A 122 5.778 -3.051 -1.224 1.00 5.72 H new ATOM 0 HE2 TYR A 122 8.516 0.029 -0.137 1.00 5.49 H new ATOM 0 HH TYR A 122 5.142 -1.011 -0.665 1.00 6.50 H new ATOM 1626 N ASP A 123 11.896 -6.895 -1.900 1.00 4.20 N ATOM 1627 CA ASP A 123 13.107 -7.539 -2.399 1.00 4.65 C ATOM 1628 C ASP A 123 12.795 -8.544 -3.513 1.00 4.02 C ATOM 1629 O ASP A 123 13.362 -9.636 -3.549 1.00 4.67 O ATOM 1630 CB ASP A 123 13.834 -8.245 -1.253 1.00 5.43 C ATOM 1631 CG ASP A 123 15.280 -8.553 -1.587 1.00 6.23 C ATOM 1632 OD1 ASP A 123 15.825 -7.913 -2.511 1.00 6.82 O ATOM 1633 OD2 ASP A 123 15.868 -9.434 -0.926 1.00 6.57 O ATOM 0 H ASP A 123 11.621 -7.187 -0.962 1.00 4.20 H new ATOM 0 HA ASP A 123 13.748 -6.763 -2.817 1.00 4.65 H new ATOM 0 HB2 ASP A 123 13.796 -7.619 -0.362 1.00 5.43 H new ATOM 0 HB3 ASP A 123 13.314 -9.173 -1.013 1.00 5.43 H new ATOM 1638 N HIS A 124 11.897 -8.168 -4.424 1.00 2.97 N ATOM 1639 CA HIS A 124 11.518 -9.033 -5.538 1.00 2.45 C ATOM 1640 C HIS A 124 12.754 -9.520 -6.289 1.00 2.10 C ATOM 1641 O HIS A 124 13.147 -10.682 -6.183 1.00 2.45 O ATOM 1642 CB HIS A 124 10.598 -8.270 -6.497 1.00 2.23 C ATOM 1643 CG HIS A 124 9.250 -8.897 -6.679 1.00 2.36 C ATOM 1644 ND1 HIS A 124 8.125 -8.468 -6.007 1.00 2.46 N ATOM 1645 CD2 HIS A 124 8.845 -9.912 -7.477 1.00 2.98 C ATOM 1646 CE1 HIS A 124 7.087 -9.191 -6.385 1.00 2.83 C ATOM 1647 NE2 HIS A 124 7.496 -10.075 -7.277 1.00 3.06 N ATOM 0 H HIS A 124 11.418 -7.267 -4.411 1.00 2.97 H new ATOM 0 HA HIS A 124 10.991 -9.900 -5.139 1.00 2.45 H new ATOM 0 HB2 HIS A 124 10.467 -7.253 -6.126 1.00 2.23 H new ATOM 0 HB3 HIS A 124 11.086 -8.194 -7.469 1.00 2.23 H new ATOM 0 HD1 HIS A 124 8.099 -7.710 -5.324 1.00 2.46 H new ATOM 0 HD2 HIS A 124 9.467 -10.487 -8.147 1.00 2.98 H new ATOM 0 HE1 HIS A 124 6.075 -9.079 -6.026 1.00 2.83 H new ATOM 1656 N ILE A 125 13.357 -8.613 -7.044 1.00 1.91 N ATOM 1657 CA ILE A 125 14.551 -8.918 -7.821 1.00 2.11 C ATOM 1658 C ILE A 125 15.669 -7.936 -7.487 1.00 2.10 C ATOM 1659 O ILE A 125 15.411 -6.819 -7.041 1.00 1.90 O ATOM 1660 CB ILE A 125 14.267 -8.870 -9.334 1.00 2.32 C ATOM 1661 CG1 ILE A 125 13.263 -7.759 -9.650 1.00 2.52 C ATOM 1662 CG2 ILE A 125 13.748 -10.217 -9.819 1.00 2.86 C ATOM 1663 CD1 ILE A 125 12.981 -7.604 -11.124 1.00 3.27 C ATOM 0 H ILE A 125 13.035 -7.650 -7.136 1.00 1.91 H new ATOM 0 HA ILE A 125 14.861 -9.929 -7.558 1.00 2.11 H new ATOM 0 HB ILE A 125 15.198 -8.653 -9.858 1.00 2.32 H new ATOM 0 HG12 ILE A 125 12.328 -7.966 -9.129 1.00 2.52 H new ATOM 0 HG13 ILE A 125 13.643 -6.815 -9.260 1.00 2.52 H new ATOM 0 HG21 ILE A 125 13.552 -10.167 -10.890 1.00 2.86 H new ATOM 0 HG22 ILE A 125 14.494 -10.987 -9.622 1.00 2.86 H new ATOM 0 HG23 ILE A 125 12.826 -10.463 -9.292 1.00 2.86 H new ATOM 0 HD11 ILE A 125 12.261 -6.799 -11.274 1.00 3.27 H new ATOM 0 HD12 ILE A 125 13.906 -7.366 -11.648 1.00 3.27 H new ATOM 0 HD13 ILE A 125 12.571 -8.535 -11.516 1.00 3.27 H new ATOM 1667 N GLU A 126 16.908 -8.360 -7.697 1.00 2.54 N ATOM 1668 CA GLU A 126 18.064 -7.517 -7.407 1.00 2.75 C ATOM 1669 C GLU A 126 18.441 -6.644 -8.607 1.00 2.70 C ATOM 1670 O GLU A 126 19.254 -5.728 -8.482 1.00 2.83 O ATOM 1671 CB GLU A 126 19.252 -8.395 -6.988 1.00 3.67 C ATOM 1672 CG GLU A 126 20.614 -7.806 -7.328 1.00 4.39 C ATOM 1673 CD GLU A 126 21.761 -8.675 -6.849 1.00 5.41 C ATOM 1674 OE1 GLU A 126 22.168 -8.528 -5.678 1.00 6.01 O ATOM 1675 OE2 GLU A 126 22.251 -9.503 -7.646 1.00 5.87 O ATOM 0 H GLU A 126 17.140 -9.282 -8.067 1.00 2.54 H new ATOM 0 HA GLU A 126 17.801 -6.848 -6.588 1.00 2.75 H new ATOM 0 HB2 GLU A 126 19.201 -8.567 -5.913 1.00 3.67 H new ATOM 0 HB3 GLU A 126 19.159 -9.368 -7.471 1.00 3.67 H new ATOM 0 HG2 GLU A 126 20.689 -7.674 -8.407 1.00 4.39 H new ATOM 0 HG3 GLU A 126 20.700 -6.817 -6.879 1.00 4.39 H new ATOM 1682 N ASP A 127 17.868 -6.939 -9.769 1.00 2.79 N ATOM 1683 CA ASP A 127 18.174 -6.181 -10.979 1.00 3.14 C ATOM 1684 C ASP A 127 17.340 -4.905 -11.093 1.00 2.88 C ATOM 1685 O ASP A 127 17.871 -3.799 -10.989 1.00 3.08 O ATOM 1686 CB ASP A 127 17.955 -7.056 -12.215 1.00 3.66 C ATOM 1687 CG ASP A 127 18.757 -6.581 -13.410 1.00 4.67 C ATOM 1688 OD1 ASP A 127 18.445 -5.494 -13.941 1.00 5.15 O ATOM 1689 OD2 ASP A 127 19.699 -7.295 -13.816 1.00 5.29 O ATOM 0 H ASP A 127 17.193 -7.693 -9.900 1.00 2.79 H new ATOM 0 HA ASP A 127 19.220 -5.883 -10.916 1.00 3.14 H new ATOM 0 HB2 ASP A 127 18.231 -8.085 -11.982 1.00 3.66 H new ATOM 0 HB3 ASP A 127 16.895 -7.060 -12.471 1.00 3.66 H new ATOM 1694 N ASP A 128 16.040 -5.058 -11.330 1.00 2.70 N ATOM 1695 CA ASP A 128 15.152 -3.906 -11.483 1.00 2.87 C ATOM 1696 C ASP A 128 14.417 -3.564 -10.191 1.00 2.37 C ATOM 1697 O ASP A 128 14.760 -2.599 -9.506 1.00 2.51 O ATOM 1698 CB ASP A 128 14.143 -4.166 -12.603 1.00 3.34 C ATOM 1699 CG ASP A 128 14.645 -3.697 -13.955 1.00 3.82 C ATOM 1700 OD1 ASP A 128 15.468 -4.413 -14.563 1.00 4.30 O ATOM 1701 OD2 ASP A 128 14.216 -2.614 -14.405 1.00 4.15 O ATOM 0 H ASP A 128 15.578 -5.963 -11.420 1.00 2.70 H new ATOM 0 HA ASP A 128 15.776 -3.050 -11.739 1.00 2.87 H new ATOM 0 HB2 ASP A 128 13.924 -5.233 -12.650 1.00 3.34 H new ATOM 0 HB3 ASP A 128 13.207 -3.658 -12.370 1.00 3.34 H new ATOM 1706 N GLU A 129 13.388 -4.348 -9.880 1.00 2.02 N ATOM 1707 CA GLU A 129 12.567 -4.131 -8.686 1.00 1.94 C ATOM 1708 C GLU A 129 13.406 -3.727 -7.471 1.00 1.62 C ATOM 1709 O GLU A 129 12.938 -2.986 -6.607 1.00 1.65 O ATOM 1710 CB GLU A 129 11.756 -5.390 -8.369 1.00 2.14 C ATOM 1711 CG GLU A 129 10.385 -5.102 -7.779 1.00 3.04 C ATOM 1712 CD GLU A 129 9.561 -4.170 -8.646 1.00 4.10 C ATOM 1713 OE1 GLU A 129 9.348 -4.497 -9.832 1.00 4.68 O ATOM 1714 OE2 GLU A 129 9.129 -3.114 -8.140 1.00 4.72 O ATOM 0 H GLU A 129 13.099 -5.148 -10.443 1.00 2.02 H new ATOM 0 HA GLU A 129 11.890 -3.305 -8.903 1.00 1.94 H new ATOM 0 HB2 GLU A 129 11.634 -5.972 -9.282 1.00 2.14 H new ATOM 0 HB3 GLU A 129 12.320 -6.008 -7.670 1.00 2.14 H new ATOM 0 HG2 GLU A 129 9.846 -6.040 -7.647 1.00 3.04 H new ATOM 0 HG3 GLU A 129 10.505 -4.661 -6.790 1.00 3.04 H new ATOM 1721 N ALA A 130 14.642 -4.210 -7.409 1.00 1.57 N ATOM 1722 CA ALA A 130 15.529 -3.884 -6.297 1.00 1.56 C ATOM 1723 C ALA A 130 15.726 -2.375 -6.177 1.00 1.41 C ATOM 1724 O ALA A 130 15.156 -1.731 -5.292 1.00 1.33 O ATOM 1725 CB ALA A 130 16.872 -4.580 -6.471 1.00 1.92 C ATOM 0 H ALA A 130 15.052 -4.826 -8.112 1.00 1.57 H new ATOM 0 HA ALA A 130 15.064 -4.239 -5.377 1.00 1.56 H new ATOM 0 HB1 ALA A 130 17.524 -4.328 -5.634 1.00 1.92 H new ATOM 0 HB2 ALA A 130 16.721 -5.659 -6.501 1.00 1.92 H new ATOM 0 HB3 ALA A 130 17.334 -4.252 -7.402 1.00 1.92 H new ATOM 1731 N GLU A 131 16.533 -1.817 -7.074 1.00 1.46 N ATOM 1732 CA GLU A 131 16.805 -0.383 -7.074 1.00 1.46 C ATOM 1733 C GLU A 131 15.506 0.416 -7.069 1.00 1.38 C ATOM 1734 O GLU A 131 15.407 1.456 -6.417 1.00 1.37 O ATOM 1735 CB GLU A 131 17.647 -0.003 -8.295 1.00 1.66 C ATOM 1736 CG GLU A 131 18.267 1.382 -8.199 1.00 1.92 C ATOM 1737 CD GLU A 131 18.335 2.084 -9.541 1.00 2.55 C ATOM 1738 OE1 GLU A 131 17.439 1.849 -10.379 1.00 2.84 O ATOM 1739 OE2 GLU A 131 19.282 2.868 -9.755 1.00 3.30 O ATOM 0 H GLU A 131 17.010 -2.336 -7.811 1.00 1.46 H new ATOM 0 HA GLU A 131 17.362 -0.143 -6.168 1.00 1.46 H new ATOM 0 HB2 GLU A 131 18.441 -0.739 -8.422 1.00 1.66 H new ATOM 0 HB3 GLU A 131 17.022 -0.051 -9.187 1.00 1.66 H new ATOM 0 HG2 GLU A 131 17.686 1.989 -7.505 1.00 1.92 H new ATOM 0 HG3 GLU A 131 19.272 1.298 -7.785 1.00 1.92 H new ATOM 1746 N GLU A 132 14.511 -0.081 -7.796 1.00 1.44 N ATOM 1747 CA GLU A 132 13.216 0.580 -7.872 1.00 1.53 C ATOM 1748 C GLU A 132 12.570 0.652 -6.492 1.00 1.29 C ATOM 1749 O GLU A 132 12.324 1.738 -5.967 1.00 1.22 O ATOM 1750 CB GLU A 132 12.294 -0.163 -8.842 1.00 1.86 C ATOM 1751 CG GLU A 132 12.328 0.391 -10.257 1.00 2.46 C ATOM 1752 CD GLU A 132 13.092 -0.502 -11.216 1.00 2.96 C ATOM 1753 OE1 GLU A 132 12.745 -1.699 -11.315 1.00 3.37 O ATOM 1754 OE2 GLU A 132 14.035 -0.005 -11.866 1.00 3.44 O ATOM 0 H GLU A 132 14.578 -0.940 -8.341 1.00 1.44 H new ATOM 0 HA GLU A 132 13.371 1.594 -8.239 1.00 1.53 H new ATOM 0 HB2 GLU A 132 12.577 -1.215 -8.866 1.00 1.86 H new ATOM 0 HB3 GLU A 132 11.272 -0.116 -8.467 1.00 1.86 H new ATOM 0 HG2 GLU A 132 11.307 0.517 -10.618 1.00 2.46 H new ATOM 0 HG3 GLU A 132 12.786 1.380 -10.245 1.00 2.46 H new ATOM 1761 N MET A 133 12.305 -0.514 -5.909 1.00 1.28 N ATOM 1762 CA MET A 133 11.692 -0.589 -4.586 1.00 1.23 C ATOM 1763 C MET A 133 12.506 0.194 -3.564 1.00 0.98 C ATOM 1764 O MET A 133 11.975 1.049 -2.857 1.00 0.92 O ATOM 1765 CB MET A 133 11.562 -2.046 -4.140 1.00 1.53 C ATOM 1766 CG MET A 133 10.691 -2.887 -5.055 1.00 1.39 C ATOM 1767 SD MET A 133 9.013 -3.100 -4.426 1.00 2.20 S ATOM 1768 CE MET A 133 8.621 -1.428 -3.915 1.00 2.47 C ATOM 0 H MET A 133 12.505 -1.420 -6.332 1.00 1.28 H new ATOM 0 HA MET A 133 10.698 -0.146 -4.651 1.00 1.23 H new ATOM 0 HB2 MET A 133 12.556 -2.491 -4.088 1.00 1.53 H new ATOM 0 HB3 MET A 133 11.148 -2.073 -3.132 1.00 1.53 H new ATOM 0 HG2 MET A 133 10.648 -2.419 -6.039 1.00 1.39 H new ATOM 0 HG3 MET A 133 11.151 -3.866 -5.187 1.00 1.39 H new ATOM 0 HE1 MET A 133 7.682 -1.427 -3.361 1.00 2.47 H new ATOM 0 HE2 MET A 133 9.418 -1.046 -3.278 1.00 2.47 H new ATOM 0 HE3 MET A 133 8.523 -0.792 -4.795 1.00 2.47 H new ATOM 1778 N GLU A 134 13.800 -0.103 -3.490 1.00 1.00 N ATOM 1779 CA GLU A 134 14.684 0.577 -2.551 1.00 0.98 C ATOM 1780 C GLU A 134 14.632 2.091 -2.751 1.00 0.85 C ATOM 1781 O GLU A 134 14.341 2.843 -1.819 1.00 0.92 O ATOM 1782 CB GLU A 134 16.122 0.076 -2.718 1.00 1.17 C ATOM 1783 CG GLU A 134 16.549 -0.915 -1.648 1.00 1.00 C ATOM 1784 CD GLU A 134 17.555 -0.328 -0.677 1.00 1.57 C ATOM 1785 OE1 GLU A 134 17.129 0.342 0.288 1.00 2.11 O ATOM 1786 OE2 GLU A 134 18.769 -0.538 -0.880 1.00 2.40 O ATOM 0 H GLU A 134 14.258 -0.808 -4.067 1.00 1.00 H new ATOM 0 HA GLU A 134 14.343 0.351 -1.541 1.00 0.98 H new ATOM 0 HB2 GLU A 134 16.223 -0.393 -3.697 1.00 1.17 H new ATOM 0 HB3 GLU A 134 16.800 0.930 -2.702 1.00 1.17 H new ATOM 0 HG2 GLU A 134 15.670 -1.250 -1.097 1.00 1.00 H new ATOM 0 HG3 GLU A 134 16.981 -1.795 -2.125 1.00 1.00 H new ATOM 1793 N SER A 135 14.918 2.526 -3.974 1.00 0.80 N ATOM 1794 CA SER A 135 14.911 3.946 -4.306 1.00 0.84 C ATOM 1795 C SER A 135 13.566 4.590 -3.980 1.00 0.80 C ATOM 1796 O SER A 135 13.497 5.538 -3.194 1.00 0.82 O ATOM 1797 CB SER A 135 15.235 4.145 -5.788 1.00 0.97 C ATOM 1798 OG SER A 135 16.574 3.777 -6.071 1.00 1.29 O ATOM 0 H SER A 135 15.158 1.913 -4.753 1.00 0.80 H new ATOM 0 HA SER A 135 15.676 4.431 -3.699 1.00 0.84 H new ATOM 0 HB2 SER A 135 14.554 3.549 -6.396 1.00 0.97 H new ATOM 0 HB3 SER A 135 15.076 5.188 -6.062 1.00 0.97 H new ATOM 0 HG SER A 135 16.666 2.804 -6.006 1.00 1.29 H new ATOM 1804 N LEU A 136 12.498 4.080 -4.590 1.00 0.81 N ATOM 1805 CA LEU A 136 11.168 4.629 -4.355 1.00 0.87 C ATOM 1806 C LEU A 136 10.790 4.538 -2.880 1.00 0.73 C ATOM 1807 O LEU A 136 10.372 5.528 -2.281 1.00 0.85 O ATOM 1808 CB LEU A 136 10.121 3.932 -5.232 1.00 0.98 C ATOM 1809 CG LEU A 136 9.865 2.454 -4.926 1.00 1.16 C ATOM 1810 CD1 LEU A 136 8.721 2.305 -3.935 1.00 1.17 C ATOM 1811 CD2 LEU A 136 9.562 1.693 -6.210 1.00 1.73 C ATOM 0 H LEU A 136 12.528 3.297 -5.243 1.00 0.81 H new ATOM 0 HA LEU A 136 11.190 5.683 -4.632 1.00 0.87 H new ATOM 0 HB2 LEU A 136 9.178 4.471 -5.136 1.00 0.98 H new ATOM 0 HB3 LEU A 136 10.432 4.018 -6.273 1.00 0.98 H new ATOM 0 HG LEU A 136 10.764 2.032 -4.477 1.00 1.16 H new ATOM 0 HD11 LEU A 136 8.553 1.248 -3.729 1.00 1.17 H new ATOM 0 HD12 LEU A 136 8.973 2.819 -3.008 1.00 1.17 H new ATOM 0 HD13 LEU A 136 7.815 2.741 -4.357 1.00 1.17 H new ATOM 0 HD21 LEU A 136 9.382 0.643 -5.977 1.00 1.73 H new ATOM 0 HD22 LEU A 136 8.676 2.117 -6.684 1.00 1.73 H new ATOM 0 HD23 LEU A 136 10.410 1.774 -6.890 1.00 1.73 H new ATOM 1817 N GLU A 137 10.951 3.358 -2.287 1.00 0.57 N ATOM 1818 CA GLU A 137 10.631 3.171 -0.874 1.00 0.51 C ATOM 1819 C GLU A 137 11.333 4.223 -0.029 1.00 0.52 C ATOM 1820 O GLU A 137 10.722 4.861 0.831 1.00 0.53 O ATOM 1821 CB GLU A 137 11.040 1.772 -0.408 1.00 0.52 C ATOM 1822 CG GLU A 137 10.589 1.446 1.006 1.00 1.16 C ATOM 1823 CD GLU A 137 11.743 1.398 1.990 1.00 1.87 C ATOM 1824 OE1 GLU A 137 12.634 0.540 1.818 1.00 2.45 O ATOM 1825 OE2 GLU A 137 11.754 2.218 2.932 1.00 2.54 O ATOM 0 H GLU A 137 11.298 2.523 -2.758 1.00 0.57 H new ATOM 0 HA GLU A 137 9.553 3.279 -0.752 1.00 0.51 H new ATOM 0 HB2 GLU A 137 10.623 1.034 -1.093 1.00 0.52 H new ATOM 0 HB3 GLU A 137 12.125 1.682 -0.464 1.00 0.52 H new ATOM 0 HG2 GLU A 137 9.867 2.194 1.335 1.00 1.16 H new ATOM 0 HG3 GLU A 137 10.075 0.485 1.007 1.00 1.16 H new ATOM 1832 N THR A 138 12.620 4.405 -0.292 1.00 0.57 N ATOM 1833 CA THR A 138 13.413 5.385 0.430 1.00 0.67 C ATOM 1834 C THR A 138 12.961 6.804 0.089 1.00 0.69 C ATOM 1835 O THR A 138 13.132 7.726 0.884 1.00 0.77 O ATOM 1836 CB THR A 138 14.897 5.206 0.095 1.00 0.82 C ATOM 1837 OG1 THR A 138 15.413 4.042 0.717 1.00 0.85 O ATOM 1838 CG2 THR A 138 15.755 6.375 0.523 1.00 1.10 C ATOM 0 H THR A 138 13.136 3.885 -1.002 1.00 0.57 H new ATOM 0 HA THR A 138 13.268 5.229 1.499 1.00 0.67 H new ATOM 0 HB THR A 138 14.940 5.127 -0.991 1.00 0.82 H new ATOM 0 HG1 THR A 138 15.255 3.266 0.140 1.00 0.85 H new ATOM 0 HG21 THR A 138 16.794 6.181 0.255 1.00 1.10 H new ATOM 0 HG22 THR A 138 15.413 7.280 0.021 1.00 1.10 H new ATOM 0 HG23 THR A 138 15.677 6.508 1.602 1.00 1.10 H new ATOM 1843 N GLN A 139 12.391 6.976 -1.100 1.00 0.70 N ATOM 1844 CA GLN A 139 11.927 8.287 -1.539 1.00 0.79 C ATOM 1845 C GLN A 139 10.619 8.678 -0.853 1.00 0.67 C ATOM 1846 O GLN A 139 10.417 9.842 -0.509 1.00 0.67 O ATOM 1847 CB GLN A 139 11.750 8.306 -3.058 1.00 0.92 C ATOM 1848 CG GLN A 139 12.244 9.586 -3.716 1.00 1.04 C ATOM 1849 CD GLN A 139 13.438 9.354 -4.622 1.00 1.29 C ATOM 1850 OE1 GLN A 139 14.584 9.561 -4.224 1.00 2.28 O ATOM 1851 NE2 GLN A 139 13.174 8.920 -5.850 1.00 1.28 N ATOM 0 H GLN A 139 12.240 6.226 -1.775 1.00 0.70 H new ATOM 0 HA GLN A 139 12.685 9.018 -1.257 1.00 0.79 H new ATOM 0 HB2 GLN A 139 12.283 7.458 -3.488 1.00 0.92 H new ATOM 0 HB3 GLN A 139 10.694 8.171 -3.294 1.00 0.92 H new ATOM 0 HG2 GLN A 139 11.434 10.028 -4.296 1.00 1.04 H new ATOM 0 HG3 GLN A 139 12.513 10.306 -2.944 1.00 1.04 H new ATOM 0 HE21 GLN A 139 12.209 8.762 -6.138 1.00 1.28 H new ATOM 0 HE22 GLN A 139 13.937 8.745 -6.504 1.00 1.28 H new ATOM 1858 N ILE A 140 9.732 7.707 -0.652 1.00 0.60 N ATOM 1859 CA ILE A 140 8.451 7.982 0.001 1.00 0.52 C ATOM 1860 C ILE A 140 8.594 7.937 1.518 1.00 0.47 C ATOM 1861 O ILE A 140 7.973 8.722 2.233 1.00 0.48 O ATOM 1862 CB ILE A 140 7.322 7.000 -0.423 1.00 0.49 C ATOM 1863 CG1 ILE A 140 7.848 5.907 -1.358 1.00 0.57 C ATOM 1864 CG2 ILE A 140 6.181 7.763 -1.082 1.00 0.52 C ATOM 1865 CD1 ILE A 140 6.762 5.030 -1.947 1.00 1.12 C ATOM 0 H ILE A 140 9.871 6.735 -0.927 1.00 0.60 H new ATOM 0 HA ILE A 140 8.165 8.982 -0.325 1.00 0.52 H new ATOM 0 HB ILE A 140 6.948 6.511 0.477 1.00 0.49 H new ATOM 0 HG12 ILE A 140 8.405 6.374 -2.170 1.00 0.57 H new ATOM 0 HG13 ILE A 140 8.551 5.280 -0.809 1.00 0.57 H new ATOM 0 HG21 ILE A 140 5.397 7.064 -1.374 1.00 0.52 H new ATOM 0 HG22 ILE A 140 5.775 8.490 -0.378 1.00 0.52 H new ATOM 0 HG23 ILE A 140 6.553 8.282 -1.966 1.00 0.52 H new ATOM 0 HD11 ILE A 140 7.213 4.281 -2.598 1.00 1.12 H new ATOM 0 HD12 ILE A 140 6.219 4.533 -1.143 1.00 1.12 H new ATOM 0 HD13 ILE A 140 6.072 5.644 -2.525 1.00 1.12 H new ATOM 1869 N MET A 141 9.411 7.010 2.003 1.00 0.47 N ATOM 1870 CA MET A 141 9.625 6.861 3.438 1.00 0.51 C ATOM 1871 C MET A 141 10.721 7.798 3.945 1.00 0.62 C ATOM 1872 O MET A 141 10.527 8.512 4.929 1.00 0.71 O ATOM 1873 CB MET A 141 9.975 5.410 3.773 1.00 0.51 C ATOM 1874 CG MET A 141 8.773 4.478 3.763 1.00 0.53 C ATOM 1875 SD MET A 141 8.020 4.325 2.131 1.00 1.02 S ATOM 1876 CE MET A 141 6.453 5.154 2.396 1.00 0.44 C ATOM 0 H MET A 141 9.935 6.352 1.426 1.00 0.47 H new ATOM 0 HA MET A 141 8.697 7.132 3.941 1.00 0.51 H new ATOM 0 HB2 MET A 141 10.712 5.048 3.056 1.00 0.51 H new ATOM 0 HB3 MET A 141 10.443 5.375 4.757 1.00 0.51 H new ATOM 0 HG2 MET A 141 9.081 3.492 4.110 1.00 0.53 H new ATOM 0 HG3 MET A 141 8.028 4.846 4.469 1.00 0.53 H new ATOM 0 HE1 MET A 141 5.755 4.873 1.607 1.00 0.44 H new ATOM 0 HE2 MET A 141 6.045 4.860 3.363 1.00 0.44 H new ATOM 0 HE3 MET A 141 6.605 6.233 2.379 1.00 0.44 H new ATOM 1886 N GLN A 142 11.874 7.783 3.282 1.00 0.66 N ATOM 1887 CA GLN A 142 12.995 8.628 3.687 1.00 0.79 C ATOM 1888 C GLN A 142 12.906 10.019 3.065 1.00 0.80 C ATOM 1889 O GLN A 142 13.117 11.025 3.742 1.00 0.85 O ATOM 1890 CB GLN A 142 14.323 7.970 3.304 1.00 0.90 C ATOM 1891 CG GLN A 142 15.420 8.167 4.338 1.00 1.34 C ATOM 1892 CD GLN A 142 16.782 8.383 3.709 1.00 1.47 C ATOM 1893 OE1 GLN A 142 17.036 9.417 3.090 1.00 1.64 O ATOM 1894 NE2 GLN A 142 17.668 7.405 3.863 1.00 1.85 N ATOM 0 H GLN A 142 12.057 7.199 2.466 1.00 0.66 H new ATOM 0 HA GLN A 142 12.946 8.740 4.770 1.00 0.79 H new ATOM 0 HB2 GLN A 142 14.161 6.902 3.157 1.00 0.90 H new ATOM 0 HB3 GLN A 142 14.658 8.376 2.349 1.00 0.90 H new ATOM 0 HG2 GLN A 142 15.173 9.024 4.965 1.00 1.34 H new ATOM 0 HG3 GLN A 142 15.460 7.295 4.991 1.00 1.34 H new ATOM 0 HE21 GLN A 142 17.415 6.565 4.384 1.00 1.85 H new ATOM 0 HE22 GLN A 142 18.601 7.494 3.461 1.00 1.85 H new ATOM 1901 N GLY A 143 12.603 10.070 1.771 1.00 0.79 N ATOM 1902 CA GLY A 143 12.502 11.344 1.076 1.00 0.84 C ATOM 1903 C GLY A 143 11.692 12.374 1.841 1.00 0.81 C ATOM 1904 O GLY A 143 12.080 13.539 1.927 1.00 1.05 O ATOM 0 H GLY A 143 12.425 9.251 1.189 1.00 0.79 H new ATOM 0 HA2 GLY A 143 13.504 11.736 0.900 1.00 0.84 H new ATOM 0 HA3 GLY A 143 12.046 11.184 0.099 1.00 0.84 H new ATOM 1908 N LEU A 144 10.563 11.946 2.397 1.00 0.75 N ATOM 1909 CA LEU A 144 9.700 12.844 3.156 1.00 0.72 C ATOM 1910 C LEU A 144 10.052 12.815 4.640 1.00 0.87 C ATOM 1911 O LEU A 144 9.814 13.782 5.363 1.00 1.01 O ATOM 1912 CB LEU A 144 8.231 12.464 2.959 1.00 0.62 C ATOM 1913 CG LEU A 144 7.742 12.507 1.509 1.00 0.66 C ATOM 1914 CD1 LEU A 144 7.689 11.105 0.922 1.00 0.58 C ATOM 1915 CD2 LEU A 144 6.376 13.173 1.425 1.00 0.81 C ATOM 0 H LEU A 144 10.225 10.986 2.336 1.00 0.75 H new ATOM 0 HA LEU A 144 9.858 13.857 2.785 1.00 0.72 H new ATOM 0 HB2 LEU A 144 8.076 11.458 3.350 1.00 0.62 H new ATOM 0 HB3 LEU A 144 7.614 13.136 3.555 1.00 0.62 H new ATOM 0 HG LEU A 144 8.448 13.098 0.926 1.00 0.66 H new ATOM 0 HD11 LEU A 144 7.339 11.155 -0.109 1.00 0.58 H new ATOM 0 HD12 LEU A 144 8.685 10.663 0.946 1.00 0.58 H new ATOM 0 HD13 LEU A 144 7.005 10.491 1.508 1.00 0.58 H new ATOM 0 HD21 LEU A 144 6.045 13.194 0.387 1.00 0.81 H new ATOM 0 HD22 LEU A 144 5.659 12.610 2.023 1.00 0.81 H new ATOM 0 HD23 LEU A 144 6.444 14.192 1.805 1.00 0.81 H new ATOM 1921 N GLY A 145 10.618 11.698 5.090 1.00 0.91 N ATOM 1922 CA GLY A 145 10.990 11.568 6.487 1.00 1.11 C ATOM 1923 C GLY A 145 9.801 11.693 7.418 1.00 1.11 C ATOM 1924 O GLY A 145 9.713 12.639 8.200 1.00 1.24 O ATOM 0 H GLY A 145 10.825 10.883 4.513 1.00 0.91 H new ATOM 0 HA2 GLY A 145 11.470 10.602 6.643 1.00 1.11 H new ATOM 0 HA3 GLY A 145 11.725 12.333 6.737 1.00 1.11 H new ATOM 1928 N PHE A 146 8.883 10.736 7.332 1.00 1.15 N ATOM 1929 CA PHE A 146 7.691 10.742 8.171 1.00 1.25 C ATOM 1930 C PHE A 146 8.061 10.585 9.643 1.00 1.47 C ATOM 1931 O PHE A 146 7.607 11.358 10.484 1.00 99.99 O ATOM 1932 CB PHE A 146 6.740 9.619 7.750 1.00 1.63 C ATOM 1933 CG PHE A 146 6.390 9.643 6.289 1.00 1.09 C ATOM 1934 CD1 PHE A 146 6.132 10.842 5.643 1.00 1.74 C ATOM 1935 CD2 PHE A 146 6.319 8.466 5.562 1.00 1.15 C ATOM 1936 CE1 PHE A 146 5.809 10.866 4.300 1.00 1.65 C ATOM 1937 CE2 PHE A 146 5.997 8.485 4.219 1.00 1.15 C ATOM 1938 CZ PHE A 146 5.742 9.687 3.586 1.00 0.93 C ATOM 0 H PHE A 146 8.942 9.946 6.689 1.00 1.15 H new ATOM 0 HA PHE A 146 7.190 11.701 8.041 1.00 1.25 H new ATOM 0 HB2 PHE A 146 7.196 8.659 7.990 1.00 1.63 H new ATOM 0 HB3 PHE A 146 5.824 9.692 8.336 1.00 1.63 H new ATOM 0 HD1 PHE A 146 6.184 11.768 6.196 1.00 1.74 H new ATOM 0 HD2 PHE A 146 6.518 7.523 6.051 1.00 1.15 H new ATOM 0 HE1 PHE A 146 5.609 11.807 3.809 1.00 1.65 H new ATOM 0 HE2 PHE A 146 5.944 7.560 3.663 1.00 1.15 H new ATOM 0 HZ PHE A 146 5.491 9.703 2.536 1.00 0.93 H new