USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 874 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 54 SER OG : rot 15:sc= 1.06 USER MOD Set 1.2: A 63 HIS : no HE2:sc= -7.41! C(o=-6.4!,f=-6!) USER MOD Set 2.1: A 48 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-0.82) USER MOD Set 2.2: A 65 MET CE :methyl -133:sc= 0 (180deg=-1.35) USER MOD Set 3.1: A 35 GLN : amide:sc= -0.451 K(o=-0.14,f=-0.75) USER MOD Set 3.2: A 39 SER OG : rot 88:sc= 0.307 USER MOD Single : A 1 GLY N :NH3+ 141:sc= 0.0283 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -56:sc= 0.114 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.0192 X(o=-0.019,f=-0.024) USER MOD Single : A 20 HIS : no HE2:sc= -3.58 K(o=-3.6,f=-4.3!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 1.16 K(o=1.2,f=-0.15) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 109:sc= 0.204 USER MOD Single : A 46 HIS : no HE2:sc= -1 K(o=-1,f=-1.9!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 83:sc= -0.948 USER MOD Single : A 56 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.361) USER MOD Single : A 58 GLN : amide:sc=-0.00586 X(o=-0.0059,f=-0.2) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 45:sc= 1.26 USER MOD Single : A 61 CYS SG : rot 28:sc= 0.0744 USER MOD Single : A 62 CYS SG : rot 30:sc= -0.0682 USER MOD Single : A 67 LYS NZ :NH3+ 159:sc= -1.25 (180deg=-1.79!) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.28 USER MOD Single : A 75 MET CE :methyl -178:sc= -0.39 (180deg=-0.391) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -9.46! C(o=-9.5!,f=-7.2!) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HE2:sc= -7.37! C(o=-7.4!,f=-9.9!) USER MOD Single : A 94 GLN : amide:sc= -0.982 K(o=-0.98,f=-4.1!) USER MOD Single : A 95 GLN : amide:sc=-0.00025 X(o=-0.00025,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 140:sc= -1.74! USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 CYS SG : rot 180:sc= -0.48 USER MOD Single : A 111 GLN : amide:sc= -1.66 K(o=-1.7,f=-4.9!) USER MOD Single : A 112 LYS NZ :NH3+ -152:sc= -0.101 (180deg=-1.04) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.645 32.515 -27.073 1.00 0.00 N ATOM 2 CA GLY A 1 -4.798 31.744 -28.293 1.00 0.00 C ATOM 3 C GLY A 1 -4.094 30.403 -28.224 1.00 0.00 C ATOM 4 O GLY A 1 -3.082 30.260 -27.538 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.512 33.519 -27.311 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.497 32.408 -26.486 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.816 32.171 -26.547 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.859 31.584 -28.488 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.402 32.316 -29.132 1.00 0.00 H new ATOM 8 N SER A 2 -4.632 29.417 -28.935 1.00 0.00 N ATOM 9 CA SER A 2 -4.052 28.079 -28.946 1.00 0.00 C ATOM 10 C SER A 2 -4.175 27.447 -30.329 1.00 0.00 C ATOM 11 O SER A 2 -5.236 27.488 -30.951 1.00 0.00 O ATOM 12 CB SER A 2 -4.739 27.193 -27.905 1.00 0.00 C ATOM 13 OG SER A 2 -6.088 26.942 -28.258 1.00 0.00 O ATOM 0 H SER A 2 -5.468 29.519 -29.510 1.00 0.00 H new ATOM 0 HA SER A 2 -2.994 28.166 -28.697 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.202 26.249 -27.815 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.699 27.676 -26.929 1.00 0.00 H new ATOM 0 HG SER A 2 -6.504 26.372 -27.577 1.00 0.00 H new ATOM 19 N SER A 3 -3.080 26.860 -30.804 1.00 0.00 N ATOM 20 CA SER A 3 -3.062 26.221 -32.115 1.00 0.00 C ATOM 21 C SER A 3 -3.259 24.714 -31.986 1.00 0.00 C ATOM 22 O SER A 3 -2.590 23.930 -32.658 1.00 0.00 O ATOM 23 CB SER A 3 -1.743 26.517 -32.830 1.00 0.00 C ATOM 24 OG SER A 3 -1.838 26.224 -34.214 1.00 0.00 O ATOM 0 H SER A 3 -2.194 26.814 -30.300 1.00 0.00 H new ATOM 0 HA SER A 3 -3.885 26.628 -32.703 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.479 27.566 -32.694 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.943 25.926 -32.384 1.00 0.00 H new ATOM 0 HG SER A 3 -2.108 25.290 -34.333 1.00 0.00 H new ATOM 30 N GLY A 4 -4.182 24.314 -31.117 1.00 0.00 N ATOM 31 CA GLY A 4 -4.450 22.903 -30.916 1.00 0.00 C ATOM 32 C GLY A 4 -3.204 22.121 -30.553 1.00 0.00 C ATOM 33 O GLY A 4 -2.654 22.286 -29.465 1.00 0.00 O ATOM 0 H GLY A 4 -4.749 24.943 -30.548 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.191 22.786 -30.125 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.885 22.486 -31.824 1.00 0.00 H new ATOM 37 N SER A 5 -2.757 21.265 -31.468 1.00 0.00 N ATOM 38 CA SER A 5 -1.570 20.451 -31.236 1.00 0.00 C ATOM 39 C SER A 5 -1.580 19.862 -29.828 1.00 0.00 C ATOM 40 O SER A 5 -0.557 19.843 -29.144 1.00 0.00 O ATOM 41 CB SER A 5 -0.305 21.285 -31.443 1.00 0.00 C ATOM 42 OG SER A 5 -0.064 21.514 -32.820 1.00 0.00 O ATOM 0 H SER A 5 -3.199 21.118 -32.375 1.00 0.00 H new ATOM 0 HA SER A 5 -1.577 19.631 -31.954 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.406 22.239 -30.925 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.549 20.771 -31.002 1.00 0.00 H new ATOM 0 HG SER A 5 0.749 22.051 -32.925 1.00 0.00 H new ATOM 48 N SER A 6 -2.746 19.384 -29.403 1.00 0.00 N ATOM 49 CA SER A 6 -2.892 18.798 -28.075 1.00 0.00 C ATOM 50 C SER A 6 -2.691 17.287 -28.123 1.00 0.00 C ATOM 51 O SER A 6 -1.927 16.725 -27.339 1.00 0.00 O ATOM 52 CB SER A 6 -4.272 19.123 -27.500 1.00 0.00 C ATOM 53 OG SER A 6 -4.259 19.077 -26.085 1.00 0.00 O ATOM 0 H SER A 6 -3.602 19.391 -29.958 1.00 0.00 H new ATOM 0 HA SER A 6 -2.127 19.228 -27.429 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.583 20.113 -27.832 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.005 18.413 -27.883 1.00 0.00 H new ATOM 0 HG SER A 6 -5.152 19.290 -25.743 1.00 0.00 H new ATOM 59 N GLY A 7 -3.383 16.634 -29.052 1.00 0.00 N ATOM 60 CA GLY A 7 -3.268 15.193 -29.186 1.00 0.00 C ATOM 61 C GLY A 7 -4.146 14.447 -28.201 1.00 0.00 C ATOM 62 O GLY A 7 -5.231 14.910 -27.851 1.00 0.00 O ATOM 0 H GLY A 7 -4.021 17.077 -29.714 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.539 14.903 -30.201 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.229 14.899 -29.037 1.00 0.00 H new ATOM 66 N GLY A 8 -3.677 13.286 -27.754 1.00 0.00 N ATOM 67 CA GLY A 8 -4.440 12.492 -26.809 1.00 0.00 C ATOM 68 C GLY A 8 -5.866 12.257 -27.267 1.00 0.00 C ATOM 69 O GLY A 8 -6.187 12.453 -28.439 1.00 0.00 O ATOM 0 H GLY A 8 -2.782 12.881 -28.030 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.945 11.532 -26.664 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.450 12.995 -25.842 1.00 0.00 H new ATOM 73 N GLN A 9 -6.722 11.837 -26.342 1.00 0.00 N ATOM 74 CA GLN A 9 -8.121 11.575 -26.658 1.00 0.00 C ATOM 75 C GLN A 9 -8.951 11.435 -25.386 1.00 0.00 C ATOM 76 O GLN A 9 -8.614 10.655 -24.494 1.00 0.00 O ATOM 77 CB GLN A 9 -8.244 10.305 -27.503 1.00 0.00 C ATOM 78 CG GLN A 9 -7.473 9.122 -26.940 1.00 0.00 C ATOM 79 CD GLN A 9 -7.361 7.976 -27.926 1.00 0.00 C ATOM 80 OE1 GLN A 9 -6.618 8.055 -28.904 1.00 0.00 O ATOM 81 NE2 GLN A 9 -8.101 6.903 -27.674 1.00 0.00 N ATOM 0 H GLN A 9 -6.471 11.671 -25.367 1.00 0.00 H new ATOM 0 HA GLN A 9 -8.504 12.422 -27.227 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.297 10.035 -27.587 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -7.887 10.514 -28.512 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -6.473 9.448 -26.653 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.966 8.770 -26.034 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.703 6.881 -26.851 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.067 6.101 -28.303 1.00 0.00 H new ATOM 90 N LEU A 10 -10.037 12.196 -25.307 1.00 0.00 N ATOM 91 CA LEU A 10 -10.915 12.159 -24.144 1.00 0.00 C ATOM 92 C LEU A 10 -11.883 10.983 -24.230 1.00 0.00 C ATOM 93 O LEU A 10 -12.958 11.094 -24.818 1.00 0.00 O ATOM 94 CB LEU A 10 -11.696 13.469 -24.026 1.00 0.00 C ATOM 95 CG LEU A 10 -10.864 14.722 -23.749 1.00 0.00 C ATOM 96 CD1 LEU A 10 -11.528 15.948 -24.356 1.00 0.00 C ATOM 97 CD2 LEU A 10 -10.662 14.910 -22.252 1.00 0.00 C ATOM 0 H LEU A 10 -10.330 12.847 -26.036 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.295 12.032 -23.256 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -12.251 13.623 -24.951 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.430 13.361 -23.228 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.886 14.595 -24.214 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.922 16.830 -24.149 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.620 15.816 -25.434 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -12.519 16.078 -23.921 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -10.068 15.806 -22.075 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.631 15.015 -21.764 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.142 14.044 -21.843 1.00 0.00 H new ATOM 109 N ALA A 11 -11.495 9.858 -23.638 1.00 0.00 N ATOM 110 CA ALA A 11 -12.330 8.664 -23.644 1.00 0.00 C ATOM 111 C ALA A 11 -12.390 8.029 -22.259 1.00 0.00 C ATOM 112 O ALA A 11 -11.734 8.490 -21.326 1.00 0.00 O ATOM 113 CB ALA A 11 -11.811 7.662 -24.664 1.00 0.00 C ATOM 0 H ALA A 11 -10.607 9.749 -23.148 1.00 0.00 H new ATOM 0 HA ALA A 11 -13.341 8.960 -23.924 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.444 6.775 -24.658 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.827 8.112 -25.657 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.789 7.380 -24.410 1.00 0.00 H new ATOM 119 N GLN A 12 -13.182 6.968 -22.134 1.00 0.00 N ATOM 120 CA GLN A 12 -13.328 6.271 -20.861 1.00 0.00 C ATOM 121 C GLN A 12 -11.988 5.721 -20.385 1.00 0.00 C ATOM 122 O GLN A 12 -11.447 4.782 -20.972 1.00 0.00 O ATOM 123 CB GLN A 12 -14.342 5.135 -20.993 1.00 0.00 C ATOM 124 CG GLN A 12 -15.718 5.595 -21.446 1.00 0.00 C ATOM 125 CD GLN A 12 -16.426 6.436 -20.402 1.00 0.00 C ATOM 126 OE1 GLN A 12 -16.611 6.006 -19.263 1.00 0.00 O ATOM 127 NE2 GLN A 12 -16.826 7.643 -20.786 1.00 0.00 N ATOM 0 H GLN A 12 -13.731 6.573 -22.897 1.00 0.00 H new ATOM 0 HA GLN A 12 -13.689 6.986 -20.122 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -13.962 4.401 -21.703 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -14.436 4.630 -20.032 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -15.619 6.172 -22.366 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -16.329 4.723 -21.680 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -16.652 7.958 -21.740 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -17.308 8.254 -20.127 1.00 0.00 H new ATOM 136 N ASP A 13 -11.457 6.309 -19.320 1.00 0.00 N ATOM 137 CA ASP A 13 -10.179 5.877 -18.764 1.00 0.00 C ATOM 138 C ASP A 13 -10.348 4.605 -17.940 1.00 0.00 C ATOM 139 O ASP A 13 -10.499 4.658 -16.720 1.00 0.00 O ATOM 140 CB ASP A 13 -9.575 6.984 -17.898 1.00 0.00 C ATOM 141 CG ASP A 13 -9.488 8.308 -18.630 1.00 0.00 C ATOM 142 OD1 ASP A 13 -10.530 8.987 -18.756 1.00 0.00 O ATOM 143 OD2 ASP A 13 -8.379 8.668 -19.075 1.00 0.00 O ATOM 0 H ASP A 13 -11.891 7.087 -18.823 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.503 5.665 -19.592 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -10.179 7.108 -16.999 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.578 6.685 -17.574 1.00 0.00 H new ATOM 148 N GLY A 14 -10.322 3.459 -18.616 1.00 0.00 N ATOM 149 CA GLY A 14 -10.474 2.190 -17.931 1.00 0.00 C ATOM 150 C GLY A 14 -9.793 2.176 -16.577 1.00 0.00 C ATOM 151 O GLY A 14 -10.286 1.561 -15.631 1.00 0.00 O ATOM 0 H GLY A 14 -10.198 3.388 -19.626 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.535 1.975 -17.803 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.060 1.394 -18.551 1.00 0.00 H new ATOM 155 N VAL A 15 -8.653 2.854 -16.483 1.00 0.00 N ATOM 156 CA VAL A 15 -7.901 2.917 -15.235 1.00 0.00 C ATOM 157 C VAL A 15 -7.446 4.342 -14.940 1.00 0.00 C ATOM 158 O VAL A 15 -6.969 5.062 -15.817 1.00 0.00 O ATOM 159 CB VAL A 15 -6.669 1.994 -15.275 1.00 0.00 C ATOM 160 CG1 VAL A 15 -5.618 2.547 -16.224 1.00 0.00 C ATOM 161 CG2 VAL A 15 -6.096 1.810 -13.878 1.00 0.00 C ATOM 0 H VAL A 15 -8.230 3.367 -17.256 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.571 2.581 -14.444 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.980 1.017 -15.646 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.755 1.881 -16.239 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.037 2.621 -17.228 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.308 3.536 -15.887 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.226 1.155 -13.925 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.800 2.779 -13.476 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.851 1.364 -13.231 1.00 0.00 H new ATOM 171 N PRO A 16 -7.595 4.760 -13.674 1.00 0.00 N ATOM 172 CA PRO A 16 -7.203 6.101 -13.232 1.00 0.00 C ATOM 173 C PRO A 16 -5.690 6.290 -13.220 1.00 0.00 C ATOM 174 O PRO A 16 -4.939 5.375 -13.561 1.00 0.00 O ATOM 175 CB PRO A 16 -7.763 6.185 -11.810 1.00 0.00 C ATOM 176 CG PRO A 16 -7.844 4.769 -11.351 1.00 0.00 C ATOM 177 CD PRO A 16 -8.156 3.954 -12.576 1.00 0.00 C ATOM 0 HA PRO A 16 -7.580 6.875 -13.900 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.114 6.775 -11.163 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.743 6.662 -11.798 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.904 4.451 -10.899 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.619 4.648 -10.594 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.698 2.966 -12.528 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.229 3.803 -12.696 1.00 0.00 H new ATOM 185 N GLU A 17 -5.249 7.480 -12.826 1.00 0.00 N ATOM 186 CA GLU A 17 -3.825 7.787 -12.771 1.00 0.00 C ATOM 187 C GLU A 17 -3.261 7.506 -11.380 1.00 0.00 C ATOM 188 O GLU A 17 -2.151 6.990 -11.241 1.00 0.00 O ATOM 189 CB GLU A 17 -3.580 9.249 -13.145 1.00 0.00 C ATOM 190 CG GLU A 17 -4.621 10.204 -12.585 1.00 0.00 C ATOM 191 CD GLU A 17 -5.794 10.406 -13.525 1.00 0.00 C ATOM 192 OE1 GLU A 17 -5.635 11.143 -14.520 1.00 0.00 O ATOM 193 OE2 GLU A 17 -6.869 9.827 -13.266 1.00 0.00 O ATOM 0 H GLU A 17 -5.857 8.247 -12.540 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.314 7.145 -13.489 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.595 9.547 -12.785 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.563 9.339 -14.231 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.986 9.820 -11.632 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.153 11.167 -12.382 1.00 0.00 H new ATOM 200 N TRP A 18 -4.033 7.847 -10.355 1.00 0.00 N ATOM 201 CA TRP A 18 -3.611 7.633 -8.976 1.00 0.00 C ATOM 202 C TRP A 18 -3.284 6.165 -8.729 1.00 0.00 C ATOM 203 O TRP A 18 -2.663 5.818 -7.725 1.00 0.00 O ATOM 204 CB TRP A 18 -4.703 8.094 -8.009 1.00 0.00 C ATOM 205 CG TRP A 18 -6.040 7.472 -8.282 1.00 0.00 C ATOM 206 CD1 TRP A 18 -7.083 8.035 -8.960 1.00 0.00 C ATOM 207 CD2 TRP A 18 -6.476 6.169 -7.880 1.00 0.00 C ATOM 208 NE1 TRP A 18 -8.141 7.161 -9.004 1.00 0.00 N ATOM 209 CE2 TRP A 18 -7.794 6.007 -8.350 1.00 0.00 C ATOM 210 CE3 TRP A 18 -5.880 5.122 -7.173 1.00 0.00 C ATOM 211 CZ2 TRP A 18 -8.524 4.842 -8.132 1.00 0.00 C ATOM 212 CZ3 TRP A 18 -6.607 3.966 -6.956 1.00 0.00 C ATOM 213 CH2 TRP A 18 -7.917 3.833 -7.435 1.00 0.00 C ATOM 0 H TRP A 18 -4.955 8.273 -10.453 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.710 8.221 -8.803 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.400 7.855 -6.990 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.796 9.178 -8.068 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -7.077 9.022 -9.397 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -9.040 7.341 -9.451 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.870 5.214 -6.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -9.534 4.738 -8.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.157 3.151 -6.408 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -8.458 2.917 -7.251 1.00 0.00 H new ATOM 224 N PHE A 19 -3.706 5.306 -9.651 1.00 0.00 N ATOM 225 CA PHE A 19 -3.458 3.873 -9.532 1.00 0.00 C ATOM 226 C PHE A 19 -2.130 3.496 -10.181 1.00 0.00 C ATOM 227 O PHE A 19 -2.079 3.147 -11.361 1.00 0.00 O ATOM 228 CB PHE A 19 -4.597 3.082 -10.179 1.00 0.00 C ATOM 229 CG PHE A 19 -4.479 1.597 -9.987 1.00 0.00 C ATOM 230 CD1 PHE A 19 -4.456 1.049 -8.714 1.00 0.00 C ATOM 231 CD2 PHE A 19 -4.392 0.748 -11.079 1.00 0.00 C ATOM 232 CE1 PHE A 19 -4.346 -0.316 -8.535 1.00 0.00 C ATOM 233 CE2 PHE A 19 -4.283 -0.619 -10.905 1.00 0.00 C ATOM 234 CZ PHE A 19 -4.262 -1.152 -9.632 1.00 0.00 C ATOM 0 H PHE A 19 -4.221 5.577 -10.489 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.408 3.624 -8.472 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.546 3.420 -9.763 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.621 3.302 -11.246 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.525 1.697 -7.853 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.410 1.159 -12.077 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.326 -0.730 -7.538 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.214 -1.269 -11.764 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.180 -2.220 -9.494 1.00 0.00 H new ATOM 244 N HIS A 20 -1.055 3.569 -9.401 1.00 0.00 N ATOM 245 CA HIS A 20 0.275 3.236 -9.899 1.00 0.00 C ATOM 246 C HIS A 20 0.527 1.734 -9.808 1.00 0.00 C ATOM 247 O HIS A 20 1.625 1.299 -9.462 1.00 0.00 O ATOM 248 CB HIS A 20 1.343 3.993 -9.109 1.00 0.00 C ATOM 249 CG HIS A 20 1.357 5.466 -9.382 1.00 0.00 C ATOM 250 ND1 HIS A 20 2.411 6.106 -9.999 1.00 0.00 N ATOM 251 CD2 HIS A 20 0.439 6.423 -9.117 1.00 0.00 C ATOM 252 CE1 HIS A 20 2.141 7.395 -10.102 1.00 0.00 C ATOM 253 NE2 HIS A 20 0.949 7.614 -9.575 1.00 0.00 N ATOM 0 H HIS A 20 -1.079 3.856 -8.422 1.00 0.00 H new ATOM 0 HA HIS A 20 0.330 3.534 -10.946 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.179 3.831 -8.044 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.322 3.578 -9.348 1.00 0.00 H new ATOM 0 HD1 HIS A 20 3.266 5.655 -10.325 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.517 6.278 -8.635 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.785 8.142 -10.542 1.00 0.00 H new ATOM 261 N GLY A 21 -0.496 0.946 -10.122 1.00 0.00 N ATOM 262 CA GLY A 21 -0.365 -0.498 -10.069 1.00 0.00 C ATOM 263 C GLY A 21 0.348 -0.970 -8.817 1.00 0.00 C ATOM 264 O GLY A 21 -0.169 -0.828 -7.710 1.00 0.00 O ATOM 0 H GLY A 21 -1.414 1.282 -10.412 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.355 -0.951 -10.112 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.182 -0.843 -10.947 1.00 0.00 H new ATOM 268 N ALA A 22 1.538 -1.534 -8.993 1.00 0.00 N ATOM 269 CA ALA A 22 2.323 -2.028 -7.868 1.00 0.00 C ATOM 270 C ALA A 22 3.733 -1.448 -7.887 1.00 0.00 C ATOM 271 O ALA A 22 4.664 -2.073 -8.394 1.00 0.00 O ATOM 272 CB ALA A 22 2.375 -3.549 -7.889 1.00 0.00 C ATOM 0 H ALA A 22 1.980 -1.660 -9.904 1.00 0.00 H new ATOM 0 HA ALA A 22 1.838 -1.705 -6.947 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.964 -3.905 -7.044 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.363 -3.949 -7.820 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.835 -3.885 -8.819 1.00 0.00 H new ATOM 278 N ILE A 23 3.882 -0.251 -7.330 1.00 0.00 N ATOM 279 CA ILE A 23 5.180 0.412 -7.283 1.00 0.00 C ATOM 280 C ILE A 23 5.866 0.182 -5.941 1.00 0.00 C ATOM 281 O ILE A 23 5.331 -0.499 -5.067 1.00 0.00 O ATOM 282 CB ILE A 23 5.046 1.928 -7.525 1.00 0.00 C ATOM 283 CG1 ILE A 23 3.984 2.523 -6.597 1.00 0.00 C ATOM 284 CG2 ILE A 23 4.700 2.204 -8.980 1.00 0.00 C ATOM 285 CD1 ILE A 23 4.062 4.028 -6.478 1.00 0.00 C ATOM 0 H ILE A 23 3.121 0.279 -6.905 1.00 0.00 H new ATOM 0 HA ILE A 23 5.786 -0.023 -8.078 1.00 0.00 H new ATOM 0 HB ILE A 23 6.002 2.402 -7.303 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.996 2.246 -6.964 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.091 2.082 -5.606 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.609 3.279 -9.135 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.488 1.811 -9.622 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.755 1.720 -9.227 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.280 4.381 -5.805 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.037 4.312 -6.082 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.925 4.478 -7.461 1.00 0.00 H new ATOM 297 N SER A 24 7.055 0.755 -5.785 1.00 0.00 N ATOM 298 CA SER A 24 7.817 0.611 -4.550 1.00 0.00 C ATOM 299 C SER A 24 7.704 1.867 -3.691 1.00 0.00 C ATOM 300 O SER A 24 7.712 2.986 -4.205 1.00 0.00 O ATOM 301 CB SER A 24 9.286 0.323 -4.863 1.00 0.00 C ATOM 302 OG SER A 24 9.489 -1.052 -5.142 1.00 0.00 O ATOM 0 H SER A 24 7.512 1.323 -6.498 1.00 0.00 H new ATOM 0 HA SER A 24 7.401 -0.228 -3.992 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.603 0.921 -5.717 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.906 0.621 -4.018 1.00 0.00 H new ATOM 0 HG SER A 24 10.436 -1.209 -5.341 1.00 0.00 H new ATOM 308 N ARG A 25 7.599 1.674 -2.381 1.00 0.00 N ATOM 309 CA ARG A 25 7.483 2.790 -1.450 1.00 0.00 C ATOM 310 C ARG A 25 8.309 3.981 -1.926 1.00 0.00 C ATOM 311 O ARG A 25 7.830 5.114 -1.937 1.00 0.00 O ATOM 312 CB ARG A 25 7.938 2.365 -0.053 1.00 0.00 C ATOM 313 CG ARG A 25 7.470 3.301 1.050 1.00 0.00 C ATOM 314 CD ARG A 25 8.278 3.108 2.324 1.00 0.00 C ATOM 315 NE ARG A 25 7.597 3.659 3.492 1.00 0.00 N ATOM 316 CZ ARG A 25 7.987 3.437 4.743 1.00 0.00 C ATOM 317 NH1 ARG A 25 9.050 2.682 4.985 1.00 0.00 N ATOM 318 NH2 ARG A 25 7.315 3.973 5.754 1.00 0.00 N ATOM 0 H ARG A 25 7.592 0.754 -1.940 1.00 0.00 H new ATOM 0 HA ARG A 25 6.436 3.089 -1.408 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.566 1.361 0.152 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.027 2.311 -0.035 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.559 4.334 0.714 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.415 3.123 1.257 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.462 2.045 2.479 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.251 3.587 2.212 1.00 0.00 H new ATOM 0 HE ARG A 25 6.777 4.246 3.340 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.570 2.270 4.210 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.347 2.513 5.946 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.498 4.556 5.571 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.615 3.802 6.714 1.00 0.00 H new ATOM 332 N GLU A 26 9.551 3.716 -2.318 1.00 0.00 N ATOM 333 CA GLU A 26 10.443 4.767 -2.793 1.00 0.00 C ATOM 334 C GLU A 26 9.894 5.413 -4.062 1.00 0.00 C ATOM 335 O GLU A 26 9.776 6.636 -4.148 1.00 0.00 O ATOM 336 CB GLU A 26 11.840 4.201 -3.058 1.00 0.00 C ATOM 337 CG GLU A 26 11.871 3.148 -4.154 1.00 0.00 C ATOM 338 CD GLU A 26 13.210 2.442 -4.246 1.00 0.00 C ATOM 339 OE1 GLU A 26 14.246 3.139 -4.279 1.00 0.00 O ATOM 340 OE2 GLU A 26 13.222 1.194 -4.282 1.00 0.00 O ATOM 0 H GLU A 26 9.962 2.783 -2.316 1.00 0.00 H new ATOM 0 HA GLU A 26 10.510 5.530 -2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.508 5.018 -3.331 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.228 3.766 -2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.088 2.412 -3.968 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.646 3.618 -5.111 1.00 0.00 H new ATOM 347 N ASP A 27 9.562 4.584 -5.045 1.00 0.00 N ATOM 348 CA ASP A 27 9.026 5.073 -6.310 1.00 0.00 C ATOM 349 C ASP A 27 7.818 5.975 -6.075 1.00 0.00 C ATOM 350 O ASP A 27 7.649 6.991 -6.750 1.00 0.00 O ATOM 351 CB ASP A 27 8.634 3.899 -7.210 1.00 0.00 C ATOM 352 CG ASP A 27 9.818 3.329 -7.965 1.00 0.00 C ATOM 353 OD1 ASP A 27 10.898 3.186 -7.355 1.00 0.00 O ATOM 354 OD2 ASP A 27 9.663 3.024 -9.167 1.00 0.00 O ATOM 0 H ASP A 27 9.655 3.570 -4.990 1.00 0.00 H new ATOM 0 HA ASP A 27 9.802 5.657 -6.805 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.182 3.115 -6.603 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.877 4.228 -7.922 1.00 0.00 H new ATOM 359 N ALA A 28 6.980 5.597 -5.116 1.00 0.00 N ATOM 360 CA ALA A 28 5.790 6.372 -4.792 1.00 0.00 C ATOM 361 C ALA A 28 6.160 7.762 -4.286 1.00 0.00 C ATOM 362 O ALA A 28 5.800 8.770 -4.893 1.00 0.00 O ATOM 363 CB ALA A 28 4.947 5.639 -3.759 1.00 0.00 C ATOM 0 H ALA A 28 7.104 4.758 -4.550 1.00 0.00 H new ATOM 0 HA ALA A 28 5.205 6.490 -5.704 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.061 6.230 -3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.643 4.671 -4.158 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.532 5.490 -2.851 1.00 0.00 H new ATOM 369 N GLU A 29 6.880 7.807 -3.169 1.00 0.00 N ATOM 370 CA GLU A 29 7.298 9.074 -2.581 1.00 0.00 C ATOM 371 C GLU A 29 8.059 9.921 -3.597 1.00 0.00 C ATOM 372 O GLU A 29 7.906 11.142 -3.643 1.00 0.00 O ATOM 373 CB GLU A 29 8.173 8.828 -1.350 1.00 0.00 C ATOM 374 CG GLU A 29 7.460 8.074 -0.239 1.00 0.00 C ATOM 375 CD GLU A 29 5.966 8.331 -0.225 1.00 0.00 C ATOM 376 OE1 GLU A 29 5.302 8.027 -1.238 1.00 0.00 O ATOM 377 OE2 GLU A 29 5.460 8.837 0.799 1.00 0.00 O ATOM 0 H GLU A 29 7.186 6.981 -2.654 1.00 0.00 H new ATOM 0 HA GLU A 29 6.402 9.617 -2.279 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.058 8.266 -1.650 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.520 9.786 -0.963 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.640 7.005 -0.357 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.884 8.365 0.722 1.00 0.00 H new ATOM 384 N ASN A 30 8.880 9.264 -4.410 1.00 0.00 N ATOM 385 CA ASN A 30 9.667 9.956 -5.425 1.00 0.00 C ATOM 386 C ASN A 30 8.764 10.537 -6.510 1.00 0.00 C ATOM 387 O ASN A 30 9.081 11.561 -7.115 1.00 0.00 O ATOM 388 CB ASN A 30 10.685 9.000 -6.050 1.00 0.00 C ATOM 389 CG ASN A 30 12.005 8.994 -5.305 1.00 0.00 C ATOM 390 OD1 ASN A 30 12.941 9.705 -5.670 1.00 0.00 O ATOM 391 ND2 ASN A 30 12.086 8.188 -4.252 1.00 0.00 N ATOM 0 H ASN A 30 9.018 8.254 -4.386 1.00 0.00 H new ATOM 0 HA ASN A 30 10.198 10.776 -4.942 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.273 7.991 -6.061 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.858 9.285 -7.088 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.949 8.141 -3.711 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.285 7.616 -3.985 1.00 0.00 H new ATOM 398 N LEU A 31 7.638 9.874 -6.752 1.00 0.00 N ATOM 399 CA LEU A 31 6.688 10.324 -7.763 1.00 0.00 C ATOM 400 C LEU A 31 5.962 11.586 -7.307 1.00 0.00 C ATOM 401 O LEU A 31 5.534 12.400 -8.126 1.00 0.00 O ATOM 402 CB LEU A 31 5.674 9.220 -8.065 1.00 0.00 C ATOM 403 CG LEU A 31 6.048 8.255 -9.191 1.00 0.00 C ATOM 404 CD1 LEU A 31 5.425 6.889 -8.952 1.00 0.00 C ATOM 405 CD2 LEU A 31 5.614 8.813 -10.539 1.00 0.00 C ATOM 0 H LEU A 31 7.361 9.023 -6.262 1.00 0.00 H new ATOM 0 HA LEU A 31 7.245 10.556 -8.671 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.515 8.641 -7.155 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.722 9.687 -8.315 1.00 0.00 H new ATOM 0 HG LEU A 31 7.132 8.141 -9.200 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.702 6.216 -9.763 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.786 6.485 -8.006 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.340 6.985 -8.915 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.888 8.113 -11.328 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.534 8.958 -10.542 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.109 9.768 -10.714 1.00 0.00 H new ATOM 417 N LEU A 32 5.830 11.743 -5.994 1.00 0.00 N ATOM 418 CA LEU A 32 5.159 12.907 -5.427 1.00 0.00 C ATOM 419 C LEU A 32 6.161 14.010 -5.101 1.00 0.00 C ATOM 420 O LEU A 32 5.818 15.191 -5.098 1.00 0.00 O ATOM 421 CB LEU A 32 4.389 12.513 -4.165 1.00 0.00 C ATOM 422 CG LEU A 32 3.320 11.434 -4.340 1.00 0.00 C ATOM 423 CD1 LEU A 32 3.020 10.759 -3.011 1.00 0.00 C ATOM 424 CD2 LEU A 32 2.054 12.029 -4.937 1.00 0.00 C ATOM 0 H LEU A 32 6.179 11.079 -5.303 1.00 0.00 H new ATOM 0 HA LEU A 32 4.458 13.287 -6.170 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.105 12.169 -3.419 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.912 13.406 -3.761 1.00 0.00 H new ATOM 0 HG LEU A 32 3.702 10.680 -5.028 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.257 9.994 -3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.928 10.297 -2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.659 11.501 -2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.304 11.246 -5.054 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.669 12.804 -4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.280 12.464 -5.911 1.00 0.00 H new ATOM 436 N GLU A 33 7.400 13.614 -4.830 1.00 0.00 N ATOM 437 CA GLU A 33 8.453 14.570 -4.506 1.00 0.00 C ATOM 438 C GLU A 33 8.539 15.666 -5.564 1.00 0.00 C ATOM 439 O GLU A 33 8.682 16.845 -5.242 1.00 0.00 O ATOM 440 CB GLU A 33 9.800 13.856 -4.384 1.00 0.00 C ATOM 441 CG GLU A 33 10.593 13.824 -5.681 1.00 0.00 C ATOM 442 CD GLU A 33 11.806 12.918 -5.602 1.00 0.00 C ATOM 443 OE1 GLU A 33 11.894 12.126 -4.641 1.00 0.00 O ATOM 444 OE2 GLU A 33 12.666 13.000 -6.503 1.00 0.00 O ATOM 0 H GLU A 33 7.700 12.639 -4.828 1.00 0.00 H new ATOM 0 HA GLU A 33 8.207 15.032 -3.550 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.395 14.350 -3.616 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.630 12.834 -4.047 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.945 13.487 -6.490 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.915 14.835 -5.930 1.00 0.00 H new ATOM 451 N SER A 34 8.452 15.266 -6.829 1.00 0.00 N ATOM 452 CA SER A 34 8.524 16.213 -7.936 1.00 0.00 C ATOM 453 C SER A 34 7.139 16.749 -8.283 1.00 0.00 C ATOM 454 O SER A 34 6.936 17.330 -9.349 1.00 0.00 O ATOM 455 CB SER A 34 9.148 15.548 -9.164 1.00 0.00 C ATOM 456 OG SER A 34 10.558 15.694 -9.162 1.00 0.00 O ATOM 0 H SER A 34 8.332 14.294 -7.113 1.00 0.00 H new ATOM 0 HA SER A 34 9.151 17.049 -7.626 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.889 14.489 -9.179 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.735 15.990 -10.070 1.00 0.00 H new ATOM 0 HG SER A 34 10.933 15.259 -9.956 1.00 0.00 H new ATOM 462 N GLN A 35 6.189 16.549 -7.376 1.00 0.00 N ATOM 463 CA GLN A 35 4.822 17.011 -7.585 1.00 0.00 C ATOM 464 C GLN A 35 4.452 18.094 -6.577 1.00 0.00 C ATOM 465 O GLN A 35 5.035 18.196 -5.497 1.00 0.00 O ATOM 466 CB GLN A 35 3.843 15.842 -7.479 1.00 0.00 C ATOM 467 CG GLN A 35 3.804 14.964 -8.720 1.00 0.00 C ATOM 468 CD GLN A 35 3.269 15.697 -9.934 1.00 0.00 C ATOM 469 OE1 GLN A 35 2.085 16.029 -10.002 1.00 0.00 O ATOM 470 NE2 GLN A 35 4.140 15.952 -10.903 1.00 0.00 N ATOM 0 H GLN A 35 6.341 16.070 -6.489 1.00 0.00 H new ATOM 0 HA GLN A 35 4.760 17.437 -8.586 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.114 15.229 -6.619 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.843 16.233 -7.289 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.808 14.598 -8.934 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.182 14.091 -8.524 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.112 15.659 -10.805 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.837 16.441 -11.745 1.00 0.00 H new ATOM 479 N PRO A 36 3.460 18.923 -6.934 1.00 0.00 N ATOM 480 CA PRO A 36 2.990 20.012 -6.074 1.00 0.00 C ATOM 481 C PRO A 36 2.251 19.500 -4.841 1.00 0.00 C ATOM 482 O PRO A 36 1.617 18.444 -4.879 1.00 0.00 O ATOM 483 CB PRO A 36 2.038 20.796 -6.980 1.00 0.00 C ATOM 484 CG PRO A 36 1.568 19.801 -7.986 1.00 0.00 C ATOM 485 CD PRO A 36 2.720 18.859 -8.205 1.00 0.00 C ATOM 0 HA PRO A 36 3.816 20.607 -5.684 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.204 21.211 -6.414 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.546 21.633 -7.458 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.689 19.266 -7.625 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.283 20.292 -8.917 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.376 17.847 -8.419 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.339 19.170 -9.046 1.00 0.00 H new ATOM 493 N LEU A 37 2.335 20.254 -3.751 1.00 0.00 N ATOM 494 CA LEU A 37 1.674 19.877 -2.507 1.00 0.00 C ATOM 495 C LEU A 37 0.225 19.471 -2.762 1.00 0.00 C ATOM 496 O LEU A 37 -0.520 20.181 -3.436 1.00 0.00 O ATOM 497 CB LEU A 37 1.723 21.035 -1.509 1.00 0.00 C ATOM 498 CG LEU A 37 1.754 20.645 -0.030 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.461 19.950 0.366 1.00 0.00 C ATOM 500 CD2 LEU A 37 2.952 19.753 0.261 1.00 0.00 C ATOM 0 H LEU A 37 2.855 21.130 -3.703 1.00 0.00 H new ATOM 0 HA LEU A 37 2.204 19.022 -2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.606 21.637 -1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.854 21.671 -1.678 1.00 0.00 H new ATOM 0 HG LEU A 37 1.850 21.554 0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.501 19.680 1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.380 20.622 0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.334 19.049 -0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.958 19.485 1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.887 18.848 -0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.871 20.286 0.016 1.00 0.00 H new ATOM 512 N GLY A 38 -0.169 18.326 -2.215 1.00 0.00 N ATOM 513 CA GLY A 38 -1.527 17.846 -2.392 1.00 0.00 C ATOM 514 C GLY A 38 -1.597 16.611 -3.269 1.00 0.00 C ATOM 515 O GLY A 38 -2.457 15.753 -3.076 1.00 0.00 O ATOM 0 H GLY A 38 0.429 17.721 -1.652 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.959 17.620 -1.417 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.134 18.636 -2.834 1.00 0.00 H new ATOM 519 N SER A 39 -0.689 16.521 -4.234 1.00 0.00 N ATOM 520 CA SER A 39 -0.654 15.384 -5.148 1.00 0.00 C ATOM 521 C SER A 39 -0.711 14.068 -4.378 1.00 0.00 C ATOM 522 O SER A 39 0.134 13.797 -3.525 1.00 0.00 O ATOM 523 CB SER A 39 0.611 15.432 -6.007 1.00 0.00 C ATOM 524 OG SER A 39 0.757 16.696 -6.630 1.00 0.00 O ATOM 0 H SER A 39 0.033 17.221 -4.404 1.00 0.00 H new ATOM 0 HA SER A 39 -1.527 15.443 -5.798 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.483 15.226 -5.387 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.568 14.651 -6.767 1.00 0.00 H new ATOM 0 HG SER A 39 1.238 17.303 -6.030 1.00 0.00 H new ATOM 530 N PHE A 40 -1.714 13.253 -4.686 1.00 0.00 N ATOM 531 CA PHE A 40 -1.884 11.965 -4.024 1.00 0.00 C ATOM 532 C PHE A 40 -1.727 10.818 -5.017 1.00 0.00 C ATOM 533 O PHE A 40 -1.766 11.023 -6.232 1.00 0.00 O ATOM 534 CB PHE A 40 -3.257 11.889 -3.353 1.00 0.00 C ATOM 535 CG PHE A 40 -4.390 11.713 -4.324 1.00 0.00 C ATOM 536 CD1 PHE A 40 -5.019 12.814 -4.882 1.00 0.00 C ATOM 537 CD2 PHE A 40 -4.823 10.446 -4.679 1.00 0.00 C ATOM 538 CE1 PHE A 40 -6.062 12.653 -5.775 1.00 0.00 C ATOM 539 CE2 PHE A 40 -5.866 10.280 -5.571 1.00 0.00 C ATOM 540 CZ PHE A 40 -6.485 11.386 -6.121 1.00 0.00 C ATOM 0 H PHE A 40 -2.422 13.462 -5.390 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.110 11.872 -3.263 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.262 11.059 -2.647 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.421 12.799 -2.776 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.691 13.808 -4.617 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.340 9.578 -4.254 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -6.546 13.519 -6.202 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -6.197 9.287 -5.838 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.298 11.259 -6.820 1.00 0.00 H new ATOM 550 N LEU A 41 -1.548 9.610 -4.494 1.00 0.00 N ATOM 551 CA LEU A 41 -1.383 8.429 -5.334 1.00 0.00 C ATOM 552 C LEU A 41 -1.487 7.153 -4.505 1.00 0.00 C ATOM 553 O LEU A 41 -1.370 7.186 -3.280 1.00 0.00 O ATOM 554 CB LEU A 41 -0.036 8.474 -6.056 1.00 0.00 C ATOM 555 CG LEU A 41 1.146 7.853 -5.310 1.00 0.00 C ATOM 556 CD1 LEU A 41 1.179 8.331 -3.867 1.00 0.00 C ATOM 557 CD2 LEU A 41 1.074 6.334 -5.369 1.00 0.00 C ATOM 0 H LEU A 41 -1.513 9.423 -3.492 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.183 8.426 -6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.143 7.966 -7.014 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.203 9.515 -6.272 1.00 0.00 H new ATOM 0 HG LEU A 41 2.067 8.173 -5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.027 7.878 -3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.279 9.416 -3.845 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.255 8.042 -3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.923 5.908 -4.833 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.147 5.995 -4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.101 6.009 -6.409 1.00 0.00 H new ATOM 569 N ILE A 42 -1.703 6.030 -5.181 1.00 0.00 N ATOM 570 CA ILE A 42 -1.818 4.743 -4.508 1.00 0.00 C ATOM 571 C ILE A 42 -0.995 3.674 -5.219 1.00 0.00 C ATOM 572 O ILE A 42 -0.675 3.807 -6.400 1.00 0.00 O ATOM 573 CB ILE A 42 -3.284 4.277 -4.427 1.00 0.00 C ATOM 574 CG1 ILE A 42 -4.117 5.279 -3.625 1.00 0.00 C ATOM 575 CG2 ILE A 42 -3.367 2.892 -3.805 1.00 0.00 C ATOM 576 CD1 ILE A 42 -5.602 4.990 -3.654 1.00 0.00 C ATOM 0 H ILE A 42 -1.802 5.986 -6.195 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.434 4.882 -3.497 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.689 4.224 -5.438 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.775 5.278 -2.590 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.942 6.281 -4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.409 2.577 -3.755 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.804 2.185 -4.414 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.948 2.919 -2.799 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.130 5.740 -3.065 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.959 5.020 -4.684 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.789 4.001 -3.234 1.00 0.00 H new ATOM 588 N ARG A 43 -0.659 2.613 -4.493 1.00 0.00 N ATOM 589 CA ARG A 43 0.126 1.520 -5.055 1.00 0.00 C ATOM 590 C ARG A 43 -0.233 0.194 -4.389 1.00 0.00 C ATOM 591 O ARG A 43 0.045 -0.015 -3.209 1.00 0.00 O ATOM 592 CB ARG A 43 1.621 1.799 -4.887 1.00 0.00 C ATOM 593 CG ARG A 43 2.114 1.637 -3.458 1.00 0.00 C ATOM 594 CD ARG A 43 3.280 2.567 -3.162 1.00 0.00 C ATOM 595 NE ARG A 43 3.501 2.729 -1.728 1.00 0.00 N ATOM 596 CZ ARG A 43 4.008 1.779 -0.950 1.00 0.00 C ATOM 597 NH1 ARG A 43 4.347 0.605 -1.466 1.00 0.00 N ATOM 598 NH2 ARG A 43 4.179 2.003 0.347 1.00 0.00 N ATOM 0 H ARG A 43 -0.918 2.487 -3.515 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.106 1.448 -6.118 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.183 1.126 -5.535 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.832 2.814 -5.222 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.298 1.843 -2.765 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.420 0.604 -3.292 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.184 2.173 -3.626 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.090 3.541 -3.612 1.00 0.00 H new ATOM 0 HE ARG A 43 3.252 3.621 -1.300 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.219 0.430 -2.463 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.736 -0.123 -0.866 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.921 2.905 0.747 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.568 1.273 0.944 1.00 0.00 H new ATOM 612 N VAL A 44 -0.854 -0.697 -5.155 1.00 0.00 N ATOM 613 CA VAL A 44 -1.250 -2.003 -4.641 1.00 0.00 C ATOM 614 C VAL A 44 -0.188 -2.572 -3.709 1.00 0.00 C ATOM 615 O VAL A 44 0.914 -2.910 -4.140 1.00 0.00 O ATOM 616 CB VAL A 44 -1.503 -3.003 -5.785 1.00 0.00 C ATOM 617 CG1 VAL A 44 -1.882 -4.367 -5.227 1.00 0.00 C ATOM 618 CG2 VAL A 44 -2.584 -2.481 -6.719 1.00 0.00 C ATOM 0 H VAL A 44 -1.094 -0.538 -6.134 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.176 -1.857 -4.085 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.583 -3.114 -6.358 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.057 -5.061 -6.049 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.072 -4.742 -4.602 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.789 -4.276 -4.629 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.750 -3.200 -7.521 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.510 -2.340 -6.161 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.268 -1.529 -7.145 1.00 0.00 H new ATOM 628 N SER A 45 -0.527 -2.675 -2.428 1.00 0.00 N ATOM 629 CA SER A 45 0.401 -3.201 -1.431 1.00 0.00 C ATOM 630 C SER A 45 0.575 -4.707 -1.595 1.00 0.00 C ATOM 631 O SER A 45 -0.204 -5.363 -2.287 1.00 0.00 O ATOM 632 CB SER A 45 -0.100 -2.884 -0.021 1.00 0.00 C ATOM 633 OG SER A 45 -1.307 -3.573 0.259 1.00 0.00 O ATOM 0 H SER A 45 -1.436 -2.402 -2.055 1.00 0.00 H new ATOM 0 HA SER A 45 1.369 -2.722 -1.581 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.659 -3.163 0.709 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.259 -1.810 0.079 1.00 0.00 H new ATOM 0 HG SER A 45 -1.133 -4.286 0.908 1.00 0.00 H new ATOM 639 N HIS A 46 1.605 -5.250 -0.953 1.00 0.00 N ATOM 640 CA HIS A 46 1.884 -6.680 -1.025 1.00 0.00 C ATOM 641 C HIS A 46 2.031 -7.277 0.372 1.00 0.00 C ATOM 642 O HIS A 46 1.634 -8.416 0.615 1.00 0.00 O ATOM 643 CB HIS A 46 3.155 -6.932 -1.836 1.00 0.00 C ATOM 644 CG HIS A 46 3.175 -6.221 -3.154 1.00 0.00 C ATOM 645 ND1 HIS A 46 3.732 -4.971 -3.327 1.00 0.00 N ATOM 646 CD2 HIS A 46 2.706 -6.593 -4.368 1.00 0.00 C ATOM 647 CE1 HIS A 46 3.602 -4.604 -4.589 1.00 0.00 C ATOM 648 NE2 HIS A 46 2.982 -5.570 -5.243 1.00 0.00 N ATOM 0 H HIS A 46 2.260 -4.721 -0.377 1.00 0.00 H new ATOM 0 HA HIS A 46 1.043 -7.165 -1.521 1.00 0.00 H new ATOM 0 HB2 HIS A 46 4.019 -6.618 -1.250 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.260 -8.003 -2.009 1.00 0.00 H new ATOM 0 HD1 HIS A 46 4.175 -4.417 -2.594 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.208 -7.521 -4.605 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.944 -3.672 -5.014 1.00 0.00 H new ATOM 656 N SER A 47 2.603 -6.498 1.286 1.00 0.00 N ATOM 657 CA SER A 47 2.806 -6.952 2.656 1.00 0.00 C ATOM 658 C SER A 47 1.479 -7.341 3.302 1.00 0.00 C ATOM 659 O SER A 47 1.247 -8.510 3.612 1.00 0.00 O ATOM 660 CB SER A 47 3.486 -5.858 3.481 1.00 0.00 C ATOM 661 OG SER A 47 4.096 -6.399 4.641 1.00 0.00 O ATOM 0 H SER A 47 2.933 -5.551 1.102 1.00 0.00 H new ATOM 0 HA SER A 47 3.449 -7.832 2.630 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.237 -5.353 2.873 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.752 -5.106 3.769 1.00 0.00 H new ATOM 0 HG SER A 47 4.525 -5.680 5.150 1.00 0.00 H new ATOM 667 N HIS A 48 0.613 -6.354 3.501 1.00 0.00 N ATOM 668 CA HIS A 48 -0.691 -6.591 4.109 1.00 0.00 C ATOM 669 C HIS A 48 -1.790 -6.605 3.050 1.00 0.00 C ATOM 670 O HIS A 48 -1.744 -5.846 2.082 1.00 0.00 O ATOM 671 CB HIS A 48 -0.991 -5.520 5.158 1.00 0.00 C ATOM 672 CG HIS A 48 -1.250 -4.166 4.574 1.00 0.00 C ATOM 673 ND1 HIS A 48 -0.349 -3.126 4.659 1.00 0.00 N ATOM 674 CD2 HIS A 48 -2.315 -3.684 3.892 1.00 0.00 C ATOM 675 CE1 HIS A 48 -0.850 -2.061 4.056 1.00 0.00 C ATOM 676 NE2 HIS A 48 -2.042 -2.375 3.582 1.00 0.00 N ATOM 0 H HIS A 48 0.790 -5.381 3.250 1.00 0.00 H new ATOM 0 HA HIS A 48 -0.666 -7.567 4.594 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.859 -5.827 5.741 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.150 -5.454 5.849 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.213 -4.228 3.639 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -0.367 -1.099 3.966 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -2.660 -1.746 3.069 1.00 0.00 H new ATOM 684 N VAL A 49 -2.779 -7.473 3.241 1.00 0.00 N ATOM 685 CA VAL A 49 -3.889 -7.586 2.303 1.00 0.00 C ATOM 686 C VAL A 49 -4.669 -6.278 2.215 1.00 0.00 C ATOM 687 O VAL A 49 -5.569 -6.026 3.015 1.00 0.00 O ATOM 688 CB VAL A 49 -4.851 -8.719 2.706 1.00 0.00 C ATOM 689 CG1 VAL A 49 -5.386 -8.492 4.112 1.00 0.00 C ATOM 690 CG2 VAL A 49 -5.991 -8.832 1.705 1.00 0.00 C ATOM 0 H VAL A 49 -2.834 -8.108 4.037 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.458 -7.815 1.328 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.299 -9.659 2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.064 -9.303 4.379 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.556 -8.466 4.818 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.922 -7.544 4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.661 -9.638 2.006 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.543 -7.893 1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.587 -9.047 0.716 1.00 0.00 H new ATOM 700 N GLY A 50 -4.318 -5.451 1.236 1.00 0.00 N ATOM 701 CA GLY A 50 -4.995 -4.179 1.062 1.00 0.00 C ATOM 702 C GLY A 50 -4.258 -3.255 0.113 1.00 0.00 C ATOM 703 O GLY A 50 -3.779 -3.686 -0.936 1.00 0.00 O ATOM 0 H GLY A 50 -3.577 -5.639 0.560 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.002 -4.356 0.684 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.100 -3.691 2.031 1.00 0.00 H new ATOM 707 N TYR A 51 -4.168 -1.982 0.480 1.00 0.00 N ATOM 708 CA TYR A 51 -3.489 -0.993 -0.349 1.00 0.00 C ATOM 709 C TYR A 51 -2.800 0.060 0.513 1.00 0.00 C ATOM 710 O TYR A 51 -2.822 -0.015 1.743 1.00 0.00 O ATOM 711 CB TYR A 51 -4.483 -0.321 -1.297 1.00 0.00 C ATOM 712 CG TYR A 51 -5.207 -1.292 -2.202 1.00 0.00 C ATOM 713 CD1 TYR A 51 -6.181 -2.146 -1.700 1.00 0.00 C ATOM 714 CD2 TYR A 51 -4.916 -1.357 -3.559 1.00 0.00 C ATOM 715 CE1 TYR A 51 -6.845 -3.035 -2.524 1.00 0.00 C ATOM 716 CE2 TYR A 51 -5.576 -2.241 -4.390 1.00 0.00 C ATOM 717 CZ TYR A 51 -6.540 -3.079 -3.868 1.00 0.00 C ATOM 718 OH TYR A 51 -7.199 -3.963 -4.691 1.00 0.00 O ATOM 0 H TYR A 51 -4.557 -1.610 1.347 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.730 -1.509 -0.936 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.216 0.231 -0.709 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.952 0.407 -1.910 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.423 -2.115 -0.648 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.160 -0.705 -3.971 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.599 -3.692 -2.117 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.339 -2.276 -5.443 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.867 -3.866 -5.608 1.00 0.00 H new ATOM 728 N THR A 52 -2.188 1.043 -0.140 1.00 0.00 N ATOM 729 CA THR A 52 -1.493 2.112 0.564 1.00 0.00 C ATOM 730 C THR A 52 -1.677 3.449 -0.144 1.00 0.00 C ATOM 731 O THR A 52 -1.287 3.610 -1.301 1.00 0.00 O ATOM 732 CB THR A 52 0.014 1.814 0.690 1.00 0.00 C ATOM 733 OG1 THR A 52 0.215 0.607 1.433 1.00 0.00 O ATOM 734 CG2 THR A 52 0.736 2.964 1.375 1.00 0.00 C ATOM 0 H THR A 52 -2.160 1.120 -1.157 1.00 0.00 H new ATOM 0 HA THR A 52 -1.930 2.170 1.561 1.00 0.00 H new ATOM 0 HB THR A 52 0.424 1.694 -0.313 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.175 0.424 1.507 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.798 2.732 1.453 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.606 3.875 0.791 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.322 3.111 2.373 1.00 0.00 H new ATOM 742 N LEU A 53 -2.275 4.407 0.557 1.00 0.00 N ATOM 743 CA LEU A 53 -2.511 5.732 -0.006 1.00 0.00 C ATOM 744 C LEU A 53 -1.457 6.724 0.477 1.00 0.00 C ATOM 745 O LEU A 53 -1.158 6.796 1.668 1.00 0.00 O ATOM 746 CB LEU A 53 -3.907 6.227 0.375 1.00 0.00 C ATOM 747 CG LEU A 53 -4.158 7.726 0.200 1.00 0.00 C ATOM 748 CD1 LEU A 53 -4.581 8.033 -1.228 1.00 0.00 C ATOM 749 CD2 LEU A 53 -5.212 8.208 1.186 1.00 0.00 C ATOM 0 H LEU A 53 -2.605 4.291 1.515 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.442 5.657 -1.091 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.639 5.684 -0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.091 5.967 1.417 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.228 8.257 0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.755 9.104 -1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.793 7.724 -1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.498 7.492 -1.460 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.378 9.276 1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.144 7.670 1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.869 8.023 2.204 1.00 0.00 H new ATOM 761 N SER A 54 -0.900 7.488 -0.457 1.00 0.00 N ATOM 762 CA SER A 54 0.121 8.476 -0.127 1.00 0.00 C ATOM 763 C SER A 54 -0.138 9.791 -0.856 1.00 0.00 C ATOM 764 O SER A 54 -0.750 9.810 -1.925 1.00 0.00 O ATOM 765 CB SER A 54 1.510 7.944 -0.489 1.00 0.00 C ATOM 766 OG SER A 54 2.514 8.575 0.286 1.00 0.00 O ATOM 0 H SER A 54 -1.138 7.442 -1.448 1.00 0.00 H new ATOM 0 HA SER A 54 0.078 8.662 0.946 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.544 6.867 -0.327 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.703 8.113 -1.548 1.00 0.00 H new ATOM 0 HG SER A 54 2.099 9.040 1.043 1.00 0.00 H new ATOM 772 N TYR A 55 0.330 10.886 -0.271 1.00 0.00 N ATOM 773 CA TYR A 55 0.147 12.207 -0.863 1.00 0.00 C ATOM 774 C TYR A 55 1.085 13.225 -0.223 1.00 0.00 C ATOM 775 O TYR A 55 1.394 13.142 0.967 1.00 0.00 O ATOM 776 CB TYR A 55 -1.304 12.663 -0.705 1.00 0.00 C ATOM 777 CG TYR A 55 -1.692 12.962 0.726 1.00 0.00 C ATOM 778 CD1 TYR A 55 -1.207 14.090 1.377 1.00 0.00 C ATOM 779 CD2 TYR A 55 -2.545 12.118 1.426 1.00 0.00 C ATOM 780 CE1 TYR A 55 -1.558 14.367 2.683 1.00 0.00 C ATOM 781 CE2 TYR A 55 -2.903 12.388 2.733 1.00 0.00 C ATOM 782 CZ TYR A 55 -2.407 13.514 3.357 1.00 0.00 C ATOM 783 OH TYR A 55 -2.761 13.787 4.659 1.00 0.00 O ATOM 0 H TYR A 55 0.839 10.887 0.613 1.00 0.00 H new ATOM 0 HA TYR A 55 0.385 12.138 -1.924 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.464 13.556 -1.310 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.964 11.890 -1.098 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.544 14.762 0.852 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.935 11.236 0.940 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.170 15.247 3.174 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.567 11.721 3.263 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.507 14.422 4.669 1.00 0.00 H new ATOM 793 N LYS A 56 1.535 14.188 -1.019 1.00 0.00 N ATOM 794 CA LYS A 56 2.435 15.227 -0.533 1.00 0.00 C ATOM 795 C LYS A 56 1.765 16.067 0.549 1.00 0.00 C ATOM 796 O LYS A 56 0.649 16.553 0.368 1.00 0.00 O ATOM 797 CB LYS A 56 2.882 16.126 -1.688 1.00 0.00 C ATOM 798 CG LYS A 56 4.257 16.739 -1.485 1.00 0.00 C ATOM 799 CD LYS A 56 5.363 15.754 -1.822 1.00 0.00 C ATOM 800 CE LYS A 56 6.622 16.032 -1.014 1.00 0.00 C ATOM 801 NZ LYS A 56 7.442 14.803 -0.826 1.00 0.00 N ATOM 0 H LYS A 56 1.291 14.271 -2.006 1.00 0.00 H new ATOM 0 HA LYS A 56 3.309 14.740 -0.100 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.885 15.544 -2.610 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.153 16.925 -1.818 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.356 17.626 -2.110 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.362 17.065 -0.450 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.020 14.738 -1.625 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.592 15.812 -2.886 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.218 16.792 -1.519 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.347 16.438 -0.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.425 15.070 -0.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.059 14.248 -0.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.415 14.231 -1.694 1.00 0.00 H new ATOM 815 N ALA A 57 2.453 16.235 1.673 1.00 0.00 N ATOM 816 CA ALA A 57 1.924 17.019 2.782 1.00 0.00 C ATOM 817 C ALA A 57 2.862 18.167 3.139 1.00 0.00 C ATOM 818 O ALA A 57 4.082 17.999 3.162 1.00 0.00 O ATOM 819 CB ALA A 57 1.691 16.130 3.994 1.00 0.00 C ATOM 0 H ALA A 57 3.378 15.839 1.840 1.00 0.00 H new ATOM 0 HA ALA A 57 0.971 17.446 2.470 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.296 16.729 4.814 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.976 15.347 3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.634 15.675 4.298 1.00 0.00 H new ATOM 825 N GLN A 58 2.287 19.333 3.417 1.00 0.00 N ATOM 826 CA GLN A 58 3.073 20.508 3.771 1.00 0.00 C ATOM 827 C GLN A 58 4.312 20.114 4.569 1.00 0.00 C ATOM 828 O GLN A 58 5.403 20.633 4.337 1.00 0.00 O ATOM 829 CB GLN A 58 2.223 21.492 4.577 1.00 0.00 C ATOM 830 CG GLN A 58 1.416 22.448 3.714 1.00 0.00 C ATOM 831 CD GLN A 58 0.161 22.941 4.407 1.00 0.00 C ATOM 832 OE1 GLN A 58 0.139 23.116 5.626 1.00 0.00 O ATOM 833 NE2 GLN A 58 -0.894 23.166 3.632 1.00 0.00 N ATOM 0 H GLN A 58 1.279 19.489 3.404 1.00 0.00 H new ATOM 0 HA GLN A 58 3.396 20.990 2.848 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.542 20.931 5.217 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.875 22.070 5.233 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.038 23.302 3.445 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.141 21.949 2.785 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.831 23.008 2.626 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.767 23.497 4.043 1.00 0.00 H new ATOM 842 N SER A 59 4.135 19.193 5.511 1.00 0.00 N ATOM 843 CA SER A 59 5.236 18.732 6.346 1.00 0.00 C ATOM 844 C SER A 59 6.209 17.876 5.540 1.00 0.00 C ATOM 845 O SER A 59 7.341 18.283 5.280 1.00 0.00 O ATOM 846 CB SER A 59 4.702 17.933 7.537 1.00 0.00 C ATOM 847 OG SER A 59 3.991 18.767 8.434 1.00 0.00 O ATOM 0 H SER A 59 3.238 18.752 5.714 1.00 0.00 H new ATOM 0 HA SER A 59 5.770 19.608 6.715 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.049 17.137 7.181 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.531 17.455 8.059 1.00 0.00 H new ATOM 0 HG SER A 59 3.659 18.232 9.185 1.00 0.00 H new ATOM 853 N SER A 60 5.757 16.689 5.149 1.00 0.00 N ATOM 854 CA SER A 60 6.588 15.773 4.375 1.00 0.00 C ATOM 855 C SER A 60 5.789 14.545 3.946 1.00 0.00 C ATOM 856 O SER A 60 4.737 14.249 4.512 1.00 0.00 O ATOM 857 CB SER A 60 7.807 15.342 5.193 1.00 0.00 C ATOM 858 OG SER A 60 8.889 16.237 5.007 1.00 0.00 O ATOM 0 H SER A 60 4.821 16.339 5.355 1.00 0.00 H new ATOM 0 HA SER A 60 6.926 16.296 3.480 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.543 15.300 6.250 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.108 14.336 4.900 1.00 0.00 H new ATOM 0 HG SER A 60 8.564 17.160 5.064 1.00 0.00 H new ATOM 864 N CYS A 61 6.297 13.838 2.944 1.00 0.00 N ATOM 865 CA CYS A 61 5.632 12.643 2.437 1.00 0.00 C ATOM 866 C CYS A 61 4.940 11.886 3.566 1.00 0.00 C ATOM 867 O CYS A 61 5.505 11.709 4.646 1.00 0.00 O ATOM 868 CB CYS A 61 6.640 11.730 1.738 1.00 0.00 C ATOM 869 SG CYS A 61 8.003 11.190 2.796 1.00 0.00 S ATOM 0 H CYS A 61 7.167 14.071 2.466 1.00 0.00 H new ATOM 0 HA CYS A 61 4.876 12.956 1.717 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.117 10.851 1.360 1.00 0.00 H new ATOM 0 HB3 CYS A 61 7.050 12.253 0.874 1.00 0.00 H new ATOM 0 HG CYS A 61 7.605 11.158 4.033 1.00 0.00 H new ATOM 875 N CYS A 62 3.713 11.446 3.311 1.00 0.00 N ATOM 876 CA CYS A 62 2.942 10.710 4.306 1.00 0.00 C ATOM 877 C CYS A 62 2.369 9.427 3.712 1.00 0.00 C ATOM 878 O CYS A 62 2.018 9.415 2.534 1.00 0.00 O ATOM 879 CB CYS A 62 1.811 11.583 4.852 1.00 0.00 C ATOM 880 SG CYS A 62 2.374 12.996 5.830 1.00 0.00 S ATOM 0 H CYS A 62 3.231 11.586 2.423 1.00 0.00 H new ATOM 0 HA CYS A 62 3.612 10.442 5.123 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.213 11.948 4.017 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.156 10.967 5.468 1.00 0.00 H new ATOM 0 HG CYS A 62 3.540 13.381 5.404 1.00 0.00 H new ATOM 886 N HIS A 63 2.290 8.388 4.531 1.00 0.00 N ATOM 887 CA HIS A 63 1.763 7.114 4.073 1.00 0.00 C ATOM 888 C HIS A 63 0.521 6.750 4.889 1.00 0.00 C ATOM 889 O HIS A 63 0.456 6.944 6.103 1.00 0.00 O ATOM 890 CB HIS A 63 2.843 6.031 4.121 1.00 0.00 C ATOM 891 CG HIS A 63 3.917 6.188 3.072 1.00 0.00 C ATOM 892 ND1 HIS A 63 3.665 6.072 1.717 1.00 0.00 N ATOM 893 CD2 HIS A 63 5.250 6.453 3.195 1.00 0.00 C ATOM 894 CE1 HIS A 63 4.801 6.261 1.062 1.00 0.00 C ATOM 895 NE2 HIS A 63 5.783 6.497 1.980 1.00 0.00 N ATOM 0 H HIS A 63 2.582 8.403 5.508 1.00 0.00 H new ATOM 0 HA HIS A 63 1.459 7.195 3.030 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.308 6.040 5.107 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.371 5.056 4.000 1.00 0.00 H new ATOM 0 HD1 HIS A 63 2.758 5.874 1.294 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.781 6.602 4.123 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.928 6.233 -0.010 1.00 0.00 H new ATOM 903 N PHE A 64 -0.472 6.213 4.189 1.00 0.00 N ATOM 904 CA PHE A 64 -1.724 5.812 4.822 1.00 0.00 C ATOM 905 C PHE A 64 -2.150 4.424 4.354 1.00 0.00 C ATOM 906 O PHE A 64 -2.705 4.269 3.266 1.00 0.00 O ATOM 907 CB PHE A 64 -2.825 6.829 4.512 1.00 0.00 C ATOM 908 CG PHE A 64 -2.426 8.249 4.795 1.00 0.00 C ATOM 909 CD1 PHE A 64 -2.631 8.803 6.048 1.00 0.00 C ATOM 910 CD2 PHE A 64 -1.847 9.029 3.807 1.00 0.00 C ATOM 911 CE1 PHE A 64 -2.266 10.111 6.310 1.00 0.00 C ATOM 912 CE2 PHE A 64 -1.479 10.337 4.064 1.00 0.00 C ATOM 913 CZ PHE A 64 -1.689 10.878 5.318 1.00 0.00 C ATOM 0 H PHE A 64 -0.435 6.045 3.184 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.563 5.778 5.900 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.105 6.741 3.462 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.710 6.585 5.099 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.081 8.207 6.829 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.681 8.611 2.825 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.432 10.532 7.290 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.028 10.935 3.286 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.402 11.899 5.522 1.00 0.00 H new ATOM 923 N MET A 65 -1.888 3.419 5.183 1.00 0.00 N ATOM 924 CA MET A 65 -2.245 2.045 4.854 1.00 0.00 C ATOM 925 C MET A 65 -3.759 1.862 4.850 1.00 0.00 C ATOM 926 O MET A 65 -4.463 2.409 5.698 1.00 0.00 O ATOM 927 CB MET A 65 -1.606 1.076 5.852 1.00 0.00 C ATOM 928 CG MET A 65 -2.304 1.046 7.202 1.00 0.00 C ATOM 929 SD MET A 65 -1.658 -0.238 8.290 1.00 0.00 S ATOM 930 CE MET A 65 -2.384 -1.701 7.556 1.00 0.00 C ATOM 0 H MET A 65 -1.430 3.531 6.087 1.00 0.00 H new ATOM 0 HA MET A 65 -1.868 1.828 3.855 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.612 0.073 5.427 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.562 1.354 5.998 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.193 2.016 7.686 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.372 0.886 7.051 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.822 -2.321 8.338 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.160 -1.407 6.849 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.613 -2.267 7.033 1.00 0.00 H new ATOM 940 N VAL A 66 -4.255 1.091 3.888 1.00 0.00 N ATOM 941 CA VAL A 66 -5.687 0.835 3.774 1.00 0.00 C ATOM 942 C VAL A 66 -5.989 -0.656 3.861 1.00 0.00 C ATOM 943 O VAL A 66 -5.762 -1.403 2.909 1.00 0.00 O ATOM 944 CB VAL A 66 -6.251 1.386 2.450 1.00 0.00 C ATOM 945 CG1 VAL A 66 -7.764 1.238 2.412 1.00 0.00 C ATOM 946 CG2 VAL A 66 -5.844 2.839 2.261 1.00 0.00 C ATOM 0 H VAL A 66 -3.687 0.632 3.176 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.167 1.348 4.607 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.832 0.806 1.628 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.145 1.632 1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.029 0.184 2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.205 1.791 3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.251 3.212 1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.232 3.436 3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.757 2.913 2.240 1.00 0.00 H new ATOM 956 N LYS A 67 -6.501 -1.085 5.009 1.00 0.00 N ATOM 957 CA LYS A 67 -6.836 -2.488 5.222 1.00 0.00 C ATOM 958 C LYS A 67 -8.064 -2.883 4.408 1.00 0.00 C ATOM 959 O LYS A 67 -8.748 -2.029 3.842 1.00 0.00 O ATOM 960 CB LYS A 67 -7.089 -2.753 6.709 1.00 0.00 C ATOM 961 CG LYS A 67 -5.964 -2.278 7.611 1.00 0.00 C ATOM 962 CD LYS A 67 -6.361 -2.338 9.076 1.00 0.00 C ATOM 963 CE LYS A 67 -7.446 -1.322 9.402 1.00 0.00 C ATOM 964 NZ LYS A 67 -7.695 -1.229 10.867 1.00 0.00 N ATOM 0 H LYS A 67 -6.693 -0.480 5.808 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.992 -3.092 4.890 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.014 -2.259 7.005 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.237 -3.822 6.859 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.080 -2.894 7.447 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.693 -1.256 7.348 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.715 -3.340 9.317 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.486 -2.150 9.699 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.154 -0.344 9.020 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.369 -1.600 8.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.151 -0.320 11.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.317 -2.008 11.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.791 -1.294 11.378 1.00 0.00 H new ATOM 978 N LEU A 68 -8.339 -4.182 4.354 1.00 0.00 N ATOM 979 CA LEU A 68 -9.486 -4.691 3.611 1.00 0.00 C ATOM 980 C LEU A 68 -10.466 -5.400 4.539 1.00 0.00 C ATOM 981 O LEU A 68 -10.212 -6.519 4.989 1.00 0.00 O ATOM 982 CB LEU A 68 -9.023 -5.648 2.512 1.00 0.00 C ATOM 983 CG LEU A 68 -9.899 -5.709 1.260 1.00 0.00 C ATOM 984 CD1 LEU A 68 -9.318 -6.683 0.248 1.00 0.00 C ATOM 985 CD2 LEU A 68 -11.323 -6.104 1.626 1.00 0.00 C ATOM 0 H LEU A 68 -7.783 -4.902 4.816 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.996 -3.843 3.154 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.015 -5.363 2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.959 -6.651 2.935 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.922 -4.718 0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.955 -6.713 -0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.317 -6.358 -0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.264 -7.678 0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -11.933 -6.143 0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -11.318 -7.084 2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.739 -5.368 2.314 1.00 0.00 H new ATOM 997 N LEU A 69 -11.587 -4.746 4.821 1.00 0.00 N ATOM 998 CA LEU A 69 -12.606 -5.316 5.695 1.00 0.00 C ATOM 999 C LEU A 69 -13.147 -6.621 5.121 1.00 0.00 C ATOM 1000 O LEU A 69 -12.927 -6.935 3.951 1.00 0.00 O ATOM 1001 CB LEU A 69 -13.750 -4.320 5.893 1.00 0.00 C ATOM 1002 CG LEU A 69 -13.385 -3.009 6.591 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -12.472 -3.273 7.778 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -12.726 -2.049 5.612 1.00 0.00 C ATOM 0 H LEU A 69 -11.813 -3.820 4.457 1.00 0.00 H new ATOM 0 HA LEU A 69 -12.145 -5.528 6.660 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -14.172 -4.083 4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -14.535 -4.809 6.470 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.302 -2.548 6.959 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.223 -2.329 8.262 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.980 -3.923 8.490 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.558 -3.756 7.433 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.473 -1.122 6.126 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.818 -2.502 5.213 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.414 -1.834 4.794 1.00 0.00 H new ATOM 1016 N ASP A 70 -13.859 -7.377 5.950 1.00 0.00 N ATOM 1017 CA ASP A 70 -14.436 -8.646 5.524 1.00 0.00 C ATOM 1018 C ASP A 70 -15.657 -8.419 4.639 1.00 0.00 C ATOM 1019 O ASP A 70 -16.064 -9.305 3.887 1.00 0.00 O ATOM 1020 CB ASP A 70 -14.822 -9.489 6.742 1.00 0.00 C ATOM 1021 CG ASP A 70 -13.670 -10.333 7.250 1.00 0.00 C ATOM 1022 OD1 ASP A 70 -12.953 -10.924 6.415 1.00 0.00 O ATOM 1023 OD2 ASP A 70 -13.485 -10.403 8.483 1.00 0.00 O ATOM 0 H ASP A 70 -14.050 -7.132 6.922 1.00 0.00 H new ATOM 0 HA ASP A 70 -13.685 -9.182 4.944 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -15.167 -8.832 7.540 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -15.657 -10.139 6.481 1.00 0.00 H new ATOM 1028 N ASP A 71 -16.237 -7.228 4.735 1.00 0.00 N ATOM 1029 CA ASP A 71 -17.412 -6.885 3.943 1.00 0.00 C ATOM 1030 C ASP A 71 -17.014 -6.477 2.528 1.00 0.00 C ATOM 1031 O ASP A 71 -17.818 -5.921 1.781 1.00 0.00 O ATOM 1032 CB ASP A 71 -18.193 -5.753 4.613 1.00 0.00 C ATOM 1033 CG ASP A 71 -19.635 -5.692 4.152 1.00 0.00 C ATOM 1034 OD1 ASP A 71 -20.152 -6.727 3.682 1.00 0.00 O ATOM 1035 OD2 ASP A 71 -20.248 -4.610 4.262 1.00 0.00 O ATOM 0 H ASP A 71 -15.913 -6.484 5.353 1.00 0.00 H new ATOM 0 HA ASP A 71 -18.048 -7.768 3.882 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -18.166 -5.887 5.694 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -17.705 -4.802 4.398 1.00 0.00 H new ATOM 1040 N GLY A 72 -15.765 -6.756 2.167 1.00 0.00 N ATOM 1041 CA GLY A 72 -15.280 -6.409 0.843 1.00 0.00 C ATOM 1042 C GLY A 72 -15.084 -4.916 0.670 1.00 0.00 C ATOM 1043 O GLY A 72 -15.013 -4.417 -0.454 1.00 0.00 O ATOM 0 H GLY A 72 -15.080 -7.216 2.767 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.335 -6.920 0.660 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.986 -6.769 0.095 1.00 0.00 H new ATOM 1047 N THR A 73 -14.997 -4.199 1.786 1.00 0.00 N ATOM 1048 CA THR A 73 -14.811 -2.754 1.753 1.00 0.00 C ATOM 1049 C THR A 73 -13.411 -2.369 2.217 1.00 0.00 C ATOM 1050 O THR A 73 -12.610 -3.229 2.588 1.00 0.00 O ATOM 1051 CB THR A 73 -15.847 -2.033 2.636 1.00 0.00 C ATOM 1052 OG1 THR A 73 -15.688 -2.431 4.002 1.00 0.00 O ATOM 1053 CG2 THR A 73 -17.263 -2.346 2.174 1.00 0.00 C ATOM 0 H THR A 73 -15.052 -4.596 2.724 1.00 0.00 H new ATOM 0 HA THR A 73 -14.947 -2.442 0.717 1.00 0.00 H new ATOM 0 HB THR A 73 -15.681 -0.959 2.549 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.349 -1.967 4.557 1.00 0.00 H new ATOM 0 HG21 THR A 73 -17.977 -1.826 2.812 1.00 0.00 H new ATOM 0 HG22 THR A 73 -17.391 -2.016 1.143 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.437 -3.420 2.235 1.00 0.00 H new ATOM 1061 N PHE A 74 -13.120 -1.072 2.195 1.00 0.00 N ATOM 1062 CA PHE A 74 -11.815 -0.575 2.614 1.00 0.00 C ATOM 1063 C PHE A 74 -11.964 0.612 3.561 1.00 0.00 C ATOM 1064 O PHE A 74 -12.798 1.493 3.343 1.00 0.00 O ATOM 1065 CB PHE A 74 -10.986 -0.167 1.394 1.00 0.00 C ATOM 1066 CG PHE A 74 -11.010 -1.182 0.287 1.00 0.00 C ATOM 1067 CD1 PHE A 74 -12.044 -1.199 -0.634 1.00 0.00 C ATOM 1068 CD2 PHE A 74 -9.997 -2.120 0.168 1.00 0.00 C ATOM 1069 CE1 PHE A 74 -12.069 -2.132 -1.654 1.00 0.00 C ATOM 1070 CE2 PHE A 74 -10.017 -3.055 -0.850 1.00 0.00 C ATOM 1071 CZ PHE A 74 -11.054 -3.061 -1.761 1.00 0.00 C ATOM 0 H PHE A 74 -13.770 -0.347 1.892 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.301 -1.377 3.143 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -11.359 0.784 1.013 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.954 -0.003 1.704 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -12.841 -0.474 -0.555 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.183 -2.121 0.878 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -12.881 -2.134 -2.366 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.221 -3.781 -0.933 1.00 0.00 H new ATOM 0 HZ PHE A 74 -11.071 -3.792 -2.556 1.00 0.00 H new ATOM 1081 N MET A 75 -11.151 0.629 4.612 1.00 0.00 N ATOM 1082 CA MET A 75 -11.192 1.709 5.592 1.00 0.00 C ATOM 1083 C MET A 75 -9.819 1.925 6.219 1.00 0.00 C ATOM 1084 O MET A 75 -9.154 0.970 6.623 1.00 0.00 O ATOM 1085 CB MET A 75 -12.221 1.399 6.681 1.00 0.00 C ATOM 1086 CG MET A 75 -11.949 2.112 7.995 1.00 0.00 C ATOM 1087 SD MET A 75 -13.452 2.427 8.939 1.00 0.00 S ATOM 1088 CE MET A 75 -12.934 3.812 9.950 1.00 0.00 C ATOM 0 H MET A 75 -10.456 -0.092 4.807 1.00 0.00 H new ATOM 0 HA MET A 75 -11.484 2.624 5.077 1.00 0.00 H new ATOM 0 HB2 MET A 75 -13.212 1.679 6.323 1.00 0.00 H new ATOM 0 HB3 MET A 75 -12.238 0.324 6.857 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.267 1.510 8.596 1.00 0.00 H new ATOM 0 HG3 MET A 75 -11.446 3.058 7.793 1.00 0.00 H new ATOM 0 HE1 MET A 75 -13.747 4.100 10.617 1.00 0.00 H new ATOM 0 HE2 MET A 75 -12.064 3.526 10.541 1.00 0.00 H new ATOM 0 HE3 MET A 75 -12.675 4.654 9.308 1.00 0.00 H new ATOM 1098 N ILE A 76 -9.401 3.183 6.300 1.00 0.00 N ATOM 1099 CA ILE A 76 -8.108 3.523 6.880 1.00 0.00 C ATOM 1100 C ILE A 76 -8.143 3.421 8.400 1.00 0.00 C ATOM 1101 O ILE A 76 -9.052 3.927 9.060 1.00 0.00 O ATOM 1102 CB ILE A 76 -7.668 4.944 6.482 1.00 0.00 C ATOM 1103 CG1 ILE A 76 -7.170 4.962 5.035 1.00 0.00 C ATOM 1104 CG2 ILE A 76 -6.587 5.449 7.426 1.00 0.00 C ATOM 1105 CD1 ILE A 76 -7.277 6.319 4.375 1.00 0.00 C ATOM 0 H ILE A 76 -9.939 3.984 5.971 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.388 2.805 6.487 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.529 5.608 6.558 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.130 4.638 5.013 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.741 4.238 4.454 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.287 6.455 7.131 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.974 5.470 8.445 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.724 4.785 7.380 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.906 6.256 3.352 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.319 6.637 4.364 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.683 7.043 4.933 1.00 0.00 H new ATOM 1117 N PRO A 77 -7.130 2.754 8.973 1.00 0.00 N ATOM 1118 CA PRO A 77 -7.022 2.572 10.423 1.00 0.00 C ATOM 1119 C PRO A 77 -6.702 3.875 11.149 1.00 0.00 C ATOM 1120 O PRO A 77 -5.547 4.153 11.467 1.00 0.00 O ATOM 1121 CB PRO A 77 -5.865 1.581 10.571 1.00 0.00 C ATOM 1122 CG PRO A 77 -5.045 1.770 9.342 1.00 0.00 C ATOM 1123 CD PRO A 77 -6.013 2.126 8.248 1.00 0.00 C ATOM 0 HA PRO A 77 -7.958 2.225 10.861 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.283 1.783 11.470 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.229 0.557 10.651 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.308 2.560 9.483 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.495 0.861 9.096 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.568 2.809 7.525 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.337 1.244 7.696 1.00 0.00 H new ATOM 1131 N GLY A 78 -7.734 4.672 11.408 1.00 0.00 N ATOM 1132 CA GLY A 78 -7.542 5.936 12.094 1.00 0.00 C ATOM 1133 C GLY A 78 -8.705 6.887 11.894 1.00 0.00 C ATOM 1134 O GLY A 78 -8.863 7.850 12.643 1.00 0.00 O ATOM 0 H GLY A 78 -8.700 4.465 11.155 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.407 5.751 13.160 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.627 6.406 11.734 1.00 0.00 H new ATOM 1138 N GLU A 79 -9.520 6.618 10.878 1.00 0.00 N ATOM 1139 CA GLU A 79 -10.673 7.460 10.581 1.00 0.00 C ATOM 1140 C GLU A 79 -11.955 6.841 11.131 1.00 0.00 C ATOM 1141 O GLU A 79 -11.922 5.814 11.809 1.00 0.00 O ATOM 1142 CB GLU A 79 -10.803 7.670 9.071 1.00 0.00 C ATOM 1143 CG GLU A 79 -9.615 8.386 8.452 1.00 0.00 C ATOM 1144 CD GLU A 79 -9.785 9.893 8.437 1.00 0.00 C ATOM 1145 OE1 GLU A 79 -10.529 10.397 7.571 1.00 0.00 O ATOM 1146 OE2 GLU A 79 -9.173 10.568 9.292 1.00 0.00 O ATOM 0 H GLU A 79 -9.403 5.825 10.248 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.520 8.425 11.064 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.925 6.701 8.587 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.708 8.243 8.869 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.712 8.131 9.008 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.472 8.030 7.432 1.00 0.00 H new ATOM 1153 N LYS A 80 -13.086 7.475 10.836 1.00 0.00 N ATOM 1154 CA LYS A 80 -14.379 6.989 11.300 1.00 0.00 C ATOM 1155 C LYS A 80 -15.324 6.751 10.125 1.00 0.00 C ATOM 1156 O LYS A 80 -16.542 6.717 10.292 1.00 0.00 O ATOM 1157 CB LYS A 80 -15.003 7.989 12.275 1.00 0.00 C ATOM 1158 CG LYS A 80 -14.139 8.271 13.493 1.00 0.00 C ATOM 1159 CD LYS A 80 -13.170 9.412 13.235 1.00 0.00 C ATOM 1160 CE LYS A 80 -13.886 10.753 13.192 1.00 0.00 C ATOM 1161 NZ LYS A 80 -12.928 11.893 13.189 1.00 0.00 N ATOM 0 H LYS A 80 -13.132 8.327 10.277 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.220 6.041 11.814 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.193 8.925 11.750 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.969 7.607 12.606 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.775 8.518 14.343 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.582 7.373 13.762 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.410 9.429 14.016 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.652 9.244 12.291 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.512 10.802 12.301 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.549 10.838 14.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.455 12.789 13.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.348 11.861 14.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.311 11.826 12.354 1.00 0.00 H new ATOM 1175 N VAL A 81 -14.752 6.585 8.936 1.00 0.00 N ATOM 1176 CA VAL A 81 -15.543 6.348 7.734 1.00 0.00 C ATOM 1177 C VAL A 81 -14.865 5.333 6.821 1.00 0.00 C ATOM 1178 O VAL A 81 -13.642 5.188 6.838 1.00 0.00 O ATOM 1179 CB VAL A 81 -15.776 7.652 6.949 1.00 0.00 C ATOM 1180 CG1 VAL A 81 -16.953 8.422 7.529 1.00 0.00 C ATOM 1181 CG2 VAL A 81 -14.517 8.507 6.951 1.00 0.00 C ATOM 0 H VAL A 81 -13.744 6.610 8.780 1.00 0.00 H new ATOM 0 HA VAL A 81 -16.505 5.953 8.061 1.00 0.00 H new ATOM 0 HB VAL A 81 -16.013 7.396 5.916 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -17.102 9.340 6.961 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -17.853 7.809 7.471 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -16.749 8.669 8.571 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -14.699 9.425 6.392 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -14.247 8.755 7.978 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -13.701 7.954 6.485 1.00 0.00 H new ATOM 1191 N ALA A 82 -15.666 4.632 6.026 1.00 0.00 N ATOM 1192 CA ALA A 82 -15.143 3.632 5.104 1.00 0.00 C ATOM 1193 C ALA A 82 -15.595 3.913 3.675 1.00 0.00 C ATOM 1194 O ALA A 82 -16.230 4.932 3.403 1.00 0.00 O ATOM 1195 CB ALA A 82 -15.579 2.239 5.533 1.00 0.00 C ATOM 0 H ALA A 82 -16.680 4.738 6.002 1.00 0.00 H new ATOM 0 HA ALA A 82 -14.055 3.684 5.130 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.181 1.502 4.835 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.201 2.032 6.534 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -16.668 2.184 5.537 1.00 0.00 H new ATOM 1201 N HIS A 83 -15.263 3.003 2.764 1.00 0.00 N ATOM 1202 CA HIS A 83 -15.634 3.154 1.362 1.00 0.00 C ATOM 1203 C HIS A 83 -15.587 1.810 0.640 1.00 0.00 C ATOM 1204 O HIS A 83 -14.710 0.985 0.899 1.00 0.00 O ATOM 1205 CB HIS A 83 -14.704 4.151 0.670 1.00 0.00 C ATOM 1206 CG HIS A 83 -14.322 5.313 1.535 1.00 0.00 C ATOM 1207 ND1 HIS A 83 -15.016 6.504 1.544 1.00 0.00 N ATOM 1208 CD2 HIS A 83 -13.313 5.461 2.423 1.00 0.00 C ATOM 1209 CE1 HIS A 83 -14.449 7.335 2.400 1.00 0.00 C ATOM 1210 NE2 HIS A 83 -13.413 6.726 2.948 1.00 0.00 N ATOM 0 H HIS A 83 -14.738 2.154 2.972 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.655 3.533 1.321 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -13.800 3.632 0.353 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -15.190 4.524 -0.231 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -12.567 4.721 2.673 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -14.777 8.341 2.615 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -12.789 7.129 3.647 1.00 0.00 H new ATOM 1218 N THR A 84 -16.536 1.598 -0.266 1.00 0.00 N ATOM 1219 CA THR A 84 -16.604 0.354 -1.024 1.00 0.00 C ATOM 1220 C THR A 84 -15.254 0.014 -1.645 1.00 0.00 C ATOM 1221 O THR A 84 -14.740 -1.091 -1.468 1.00 0.00 O ATOM 1222 CB THR A 84 -17.664 0.433 -2.139 1.00 0.00 C ATOM 1223 OG1 THR A 84 -17.342 1.493 -3.046 1.00 0.00 O ATOM 1224 CG2 THR A 84 -19.048 0.662 -1.554 1.00 0.00 C ATOM 0 H THR A 84 -17.268 2.271 -0.493 1.00 0.00 H new ATOM 0 HA THR A 84 -16.885 -0.430 -0.321 1.00 0.00 H new ATOM 0 HB THR A 84 -17.667 -0.516 -2.676 1.00 0.00 H new ATOM 0 HG1 THR A 84 -18.019 1.536 -3.753 1.00 0.00 H new ATOM 0 HG21 THR A 84 -19.780 0.714 -2.360 1.00 0.00 H new ATOM 0 HG22 THR A 84 -19.302 -0.162 -0.887 1.00 0.00 H new ATOM 0 HG23 THR A 84 -19.056 1.598 -0.995 1.00 0.00 H new ATOM 1232 N SER A 85 -14.683 0.970 -2.370 1.00 0.00 N ATOM 1233 CA SER A 85 -13.393 0.771 -3.019 1.00 0.00 C ATOM 1234 C SER A 85 -12.546 2.037 -2.946 1.00 0.00 C ATOM 1235 O SER A 85 -13.023 3.094 -2.531 1.00 0.00 O ATOM 1236 CB SER A 85 -13.592 0.360 -4.480 1.00 0.00 C ATOM 1237 OG SER A 85 -14.250 -0.892 -4.573 1.00 0.00 O ATOM 0 H SER A 85 -15.094 1.891 -2.523 1.00 0.00 H new ATOM 0 HA SER A 85 -12.868 -0.026 -2.492 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.176 1.120 -4.999 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.625 0.304 -4.980 1.00 0.00 H new ATOM 0 HG SER A 85 -14.367 -1.131 -5.516 1.00 0.00 H new ATOM 1243 N LEU A 86 -11.287 1.923 -3.352 1.00 0.00 N ATOM 1244 CA LEU A 86 -10.371 3.058 -3.333 1.00 0.00 C ATOM 1245 C LEU A 86 -10.957 4.244 -4.093 1.00 0.00 C ATOM 1246 O LEU A 86 -10.978 5.367 -3.591 1.00 0.00 O ATOM 1247 CB LEU A 86 -9.025 2.662 -3.942 1.00 0.00 C ATOM 1248 CG LEU A 86 -8.389 1.385 -3.394 1.00 0.00 C ATOM 1249 CD1 LEU A 86 -7.561 0.697 -4.467 1.00 0.00 C ATOM 1250 CD2 LEU A 86 -7.533 1.695 -2.175 1.00 0.00 C ATOM 0 H LEU A 86 -10.877 1.056 -3.699 1.00 0.00 H new ATOM 0 HA LEU A 86 -10.220 3.354 -2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.156 2.546 -5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.326 3.485 -3.793 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.187 0.708 -3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.116 -0.210 -4.058 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.201 0.439 -5.311 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.771 1.368 -4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.088 0.774 -1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.743 2.392 -2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.154 2.142 -1.398 1.00 0.00 H new ATOM 1262 N ASP A 87 -11.434 3.984 -5.306 1.00 0.00 N ATOM 1263 CA ASP A 87 -12.025 5.029 -6.134 1.00 0.00 C ATOM 1264 C ASP A 87 -13.104 5.787 -5.367 1.00 0.00 C ATOM 1265 O ASP A 87 -13.461 6.909 -5.723 1.00 0.00 O ATOM 1266 CB ASP A 87 -12.617 4.425 -7.409 1.00 0.00 C ATOM 1267 CG ASP A 87 -12.678 5.423 -8.548 1.00 0.00 C ATOM 1268 OD1 ASP A 87 -11.745 6.245 -8.668 1.00 0.00 O ATOM 1269 OD2 ASP A 87 -13.658 5.382 -9.320 1.00 0.00 O ATOM 0 H ASP A 87 -11.423 3.060 -5.737 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.237 5.732 -6.405 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.018 3.567 -7.713 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -13.621 4.055 -7.200 1.00 0.00 H new ATOM 1274 N ALA A 88 -13.619 5.164 -4.311 1.00 0.00 N ATOM 1275 CA ALA A 88 -14.657 5.781 -3.493 1.00 0.00 C ATOM 1276 C ALA A 88 -14.082 6.306 -2.182 1.00 0.00 C ATOM 1277 O ALA A 88 -14.734 7.067 -1.467 1.00 0.00 O ATOM 1278 CB ALA A 88 -15.775 4.785 -3.220 1.00 0.00 C ATOM 0 H ALA A 88 -13.335 4.234 -4.002 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.066 6.627 -4.045 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -16.543 5.259 -2.608 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.212 4.461 -4.164 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -15.372 3.921 -2.691 1.00 0.00 H new ATOM 1284 N LEU A 89 -12.858 5.895 -1.871 1.00 0.00 N ATOM 1285 CA LEU A 89 -12.195 6.324 -0.645 1.00 0.00 C ATOM 1286 C LEU A 89 -11.277 7.513 -0.910 1.00 0.00 C ATOM 1287 O LEU A 89 -10.922 8.252 0.009 1.00 0.00 O ATOM 1288 CB LEU A 89 -11.391 5.168 -0.045 1.00 0.00 C ATOM 1289 CG LEU A 89 -9.929 5.069 -0.483 1.00 0.00 C ATOM 1290 CD1 LEU A 89 -9.111 6.194 0.130 1.00 0.00 C ATOM 1291 CD2 LEU A 89 -9.349 3.715 -0.100 1.00 0.00 C ATOM 0 H LEU A 89 -12.304 5.265 -2.451 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.962 6.632 0.065 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.419 5.258 1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.890 4.233 -0.301 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.887 5.167 -1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.074 6.107 -0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.513 7.154 -0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.159 6.129 1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.308 3.662 -0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.404 3.588 0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -9.919 2.924 -0.587 1.00 0.00 H new ATOM 1303 N VAL A 90 -10.897 7.692 -2.171 1.00 0.00 N ATOM 1304 CA VAL A 90 -10.024 8.794 -2.558 1.00 0.00 C ATOM 1305 C VAL A 90 -10.804 10.099 -2.673 1.00 0.00 C ATOM 1306 O VAL A 90 -10.356 11.146 -2.206 1.00 0.00 O ATOM 1307 CB VAL A 90 -9.320 8.508 -3.897 1.00 0.00 C ATOM 1308 CG1 VAL A 90 -8.420 9.671 -4.286 1.00 0.00 C ATOM 1309 CG2 VAL A 90 -8.526 7.213 -3.815 1.00 0.00 C ATOM 0 H VAL A 90 -11.180 7.088 -2.942 1.00 0.00 H new ATOM 0 HA VAL A 90 -9.272 8.893 -1.775 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.080 8.393 -4.670 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -7.931 9.451 -5.235 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.019 10.576 -4.388 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.665 9.820 -3.514 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.035 7.026 -4.770 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.774 7.296 -3.030 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.199 6.387 -3.586 1.00 0.00 H new ATOM 1319 N THR A 91 -11.974 10.029 -3.300 1.00 0.00 N ATOM 1320 CA THR A 91 -12.817 11.204 -3.479 1.00 0.00 C ATOM 1321 C THR A 91 -13.169 11.838 -2.138 1.00 0.00 C ATOM 1322 O THR A 91 -13.103 13.058 -1.980 1.00 0.00 O ATOM 1323 CB THR A 91 -14.118 10.854 -4.225 1.00 0.00 C ATOM 1324 OG1 THR A 91 -13.823 10.473 -5.573 1.00 0.00 O ATOM 1325 CG2 THR A 91 -15.076 12.036 -4.225 1.00 0.00 C ATOM 0 H THR A 91 -12.359 9.170 -3.693 1.00 0.00 H new ATOM 0 HA THR A 91 -12.245 11.915 -4.075 1.00 0.00 H new ATOM 0 HB THR A 91 -14.594 10.020 -3.709 1.00 0.00 H new ATOM 0 HG1 THR A 91 -14.656 10.250 -6.040 1.00 0.00 H new ATOM 0 HG21 THR A 91 -15.988 11.765 -4.758 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.322 12.305 -3.198 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.606 12.886 -4.720 1.00 0.00 H new ATOM 1333 N PHE A 92 -13.541 11.003 -1.173 1.00 0.00 N ATOM 1334 CA PHE A 92 -13.902 11.482 0.155 1.00 0.00 C ATOM 1335 C PHE A 92 -12.697 12.107 0.855 1.00 0.00 C ATOM 1336 O PHE A 92 -12.846 12.997 1.693 1.00 0.00 O ATOM 1337 CB PHE A 92 -14.459 10.336 1.001 1.00 0.00 C ATOM 1338 CG PHE A 92 -15.097 10.790 2.282 1.00 0.00 C ATOM 1339 CD1 PHE A 92 -14.317 11.148 3.371 1.00 0.00 C ATOM 1340 CD2 PHE A 92 -16.476 10.860 2.399 1.00 0.00 C ATOM 1341 CE1 PHE A 92 -14.901 11.567 4.552 1.00 0.00 C ATOM 1342 CE2 PHE A 92 -17.065 11.277 3.577 1.00 0.00 C ATOM 1343 CZ PHE A 92 -16.277 11.631 4.655 1.00 0.00 C ATOM 0 H PHE A 92 -13.600 9.991 -1.287 1.00 0.00 H new ATOM 0 HA PHE A 92 -14.671 12.246 0.041 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -15.194 9.786 0.414 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -13.652 9.641 1.233 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -13.241 11.099 3.296 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -17.098 10.585 1.560 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -14.282 11.844 5.393 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -18.141 11.326 3.655 1.00 0.00 H new ATOM 0 HZ PHE A 92 -16.736 11.957 5.577 1.00 0.00 H new ATOM 1353 N HIS A 93 -11.506 11.634 0.504 1.00 0.00 N ATOM 1354 CA HIS A 93 -10.276 12.144 1.098 1.00 0.00 C ATOM 1355 C HIS A 93 -10.011 13.578 0.650 1.00 0.00 C ATOM 1356 O HIS A 93 -9.312 14.331 1.328 1.00 0.00 O ATOM 1357 CB HIS A 93 -9.093 11.252 0.719 1.00 0.00 C ATOM 1358 CG HIS A 93 -8.908 10.082 1.636 1.00 0.00 C ATOM 1359 ND1 HIS A 93 -9.348 10.072 2.943 1.00 0.00 N ATOM 1360 CD2 HIS A 93 -8.329 8.877 1.426 1.00 0.00 C ATOM 1361 CE1 HIS A 93 -9.045 8.912 3.497 1.00 0.00 C ATOM 1362 NE2 HIS A 93 -8.427 8.168 2.598 1.00 0.00 N ATOM 0 H HIS A 93 -11.366 10.898 -0.189 1.00 0.00 H new ATOM 0 HA HIS A 93 -10.394 12.136 2.182 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -9.235 10.887 -0.298 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -8.182 11.851 0.719 1.00 0.00 H new ATOM 0 HD1 HIS A 93 -9.832 10.840 3.409 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -7.874 8.536 0.507 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -9.265 8.621 4.513 1.00 0.00 H new ATOM 1370 N GLN A 94 -10.572 13.948 -0.497 1.00 0.00 N ATOM 1371 CA GLN A 94 -10.395 15.291 -1.036 1.00 0.00 C ATOM 1372 C GLN A 94 -11.164 16.316 -0.209 1.00 0.00 C ATOM 1373 O GLN A 94 -10.883 17.513 -0.269 1.00 0.00 O ATOM 1374 CB GLN A 94 -10.857 15.344 -2.493 1.00 0.00 C ATOM 1375 CG GLN A 94 -9.828 14.812 -3.478 1.00 0.00 C ATOM 1376 CD GLN A 94 -10.415 14.553 -4.852 1.00 0.00 C ATOM 1377 OE1 GLN A 94 -11.072 13.536 -5.076 1.00 0.00 O ATOM 1378 NE2 GLN A 94 -10.178 15.473 -5.779 1.00 0.00 N ATOM 0 H GLN A 94 -11.153 13.336 -1.071 1.00 0.00 H new ATOM 0 HA GLN A 94 -9.334 15.536 -0.989 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -11.777 14.768 -2.595 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -11.096 16.375 -2.752 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -9.010 15.527 -3.565 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -9.402 13.887 -3.089 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -9.628 16.300 -5.548 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.546 15.353 -6.723 1.00 0.00 H new ATOM 1387 N GLN A 95 -12.135 15.837 0.563 1.00 0.00 N ATOM 1388 CA GLN A 95 -12.945 16.713 1.401 1.00 0.00 C ATOM 1389 C GLN A 95 -12.655 16.473 2.880 1.00 0.00 C ATOM 1390 O GLN A 95 -12.810 17.370 3.708 1.00 0.00 O ATOM 1391 CB GLN A 95 -14.431 16.492 1.119 1.00 0.00 C ATOM 1392 CG GLN A 95 -14.767 16.434 -0.363 1.00 0.00 C ATOM 1393 CD GLN A 95 -16.248 16.233 -0.618 1.00 0.00 C ATOM 1394 OE1 GLN A 95 -17.077 17.044 -0.206 1.00 0.00 O ATOM 1395 NE2 GLN A 95 -16.588 15.146 -1.303 1.00 0.00 N ATOM 0 H GLN A 95 -12.379 14.849 0.625 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.686 17.744 1.161 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.748 15.562 1.592 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -15.004 17.296 1.582 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.442 17.358 -0.842 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -14.209 15.621 -0.827 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -15.867 14.500 -1.626 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -17.570 14.958 -1.506 1.00 0.00 H new ATOM 1404 N LYS A 96 -12.233 15.255 3.204 1.00 0.00 N ATOM 1405 CA LYS A 96 -11.920 14.895 4.582 1.00 0.00 C ATOM 1406 C LYS A 96 -10.493 14.369 4.696 1.00 0.00 C ATOM 1407 O LYS A 96 -10.130 13.356 4.099 1.00 0.00 O ATOM 1408 CB LYS A 96 -12.905 13.841 5.092 1.00 0.00 C ATOM 1409 CG LYS A 96 -14.140 14.431 5.750 1.00 0.00 C ATOM 1410 CD LYS A 96 -13.936 14.630 7.243 1.00 0.00 C ATOM 1411 CE LYS A 96 -14.122 13.330 8.009 1.00 0.00 C ATOM 1412 NZ LYS A 96 -14.340 13.569 9.462 1.00 0.00 N ATOM 0 H LYS A 96 -12.100 14.500 2.531 1.00 0.00 H new ATOM 0 HA LYS A 96 -12.008 15.792 5.194 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.214 13.211 4.258 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.395 13.196 5.808 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -14.380 15.387 5.284 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -14.992 13.772 5.583 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.935 15.021 7.426 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.641 15.375 7.612 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.972 12.785 7.599 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.244 12.699 7.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -14.462 12.658 9.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.517 14.066 9.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.193 14.150 9.594 1.00 0.00 H new ATOM 1426 N PRO A 97 -9.664 15.072 5.483 1.00 0.00 N ATOM 1427 CA PRO A 97 -8.264 14.693 5.695 1.00 0.00 C ATOM 1428 C PRO A 97 -8.127 13.419 6.522 1.00 0.00 C ATOM 1429 O PRO A 97 -9.124 12.818 6.923 1.00 0.00 O ATOM 1430 CB PRO A 97 -7.684 15.888 6.455 1.00 0.00 C ATOM 1431 CG PRO A 97 -8.855 16.506 7.139 1.00 0.00 C ATOM 1432 CD PRO A 97 -10.029 16.290 6.225 1.00 0.00 C ATOM 0 HA PRO A 97 -7.753 14.479 4.756 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.928 15.571 7.173 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.204 16.593 5.777 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -9.027 16.045 8.111 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.688 17.569 7.315 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.955 16.157 6.785 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.179 17.138 5.557 1.00 0.00 H new ATOM 1440 N ILE A 98 -6.887 13.013 6.774 1.00 0.00 N ATOM 1441 CA ILE A 98 -6.622 11.811 7.554 1.00 0.00 C ATOM 1442 C ILE A 98 -6.506 12.135 9.040 1.00 0.00 C ATOM 1443 O ILE A 98 -6.090 13.231 9.415 1.00 0.00 O ATOM 1444 CB ILE A 98 -5.330 11.112 7.090 1.00 0.00 C ATOM 1445 CG1 ILE A 98 -5.106 11.347 5.595 1.00 0.00 C ATOM 1446 CG2 ILE A 98 -5.395 9.623 7.394 1.00 0.00 C ATOM 1447 CD1 ILE A 98 -6.302 10.988 4.741 1.00 0.00 C ATOM 0 H ILE A 98 -6.051 13.499 6.449 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.466 11.139 7.395 1.00 0.00 H new ATOM 0 HB ILE A 98 -4.488 11.538 7.636 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.856 12.396 5.434 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -4.247 10.761 5.268 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.475 9.143 7.060 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -5.512 9.476 8.468 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.244 9.182 6.872 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -6.072 11.180 3.693 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -6.539 9.932 4.873 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -7.158 11.593 5.041 1.00 0.00 H new ATOM 1459 N GLU A 99 -6.874 11.173 9.881 1.00 0.00 N ATOM 1460 CA GLU A 99 -6.810 11.357 11.325 1.00 0.00 C ATOM 1461 C GLU A 99 -5.501 12.028 11.731 1.00 0.00 C ATOM 1462 O GLU A 99 -5.485 13.095 12.344 1.00 0.00 O ATOM 1463 CB GLU A 99 -6.948 10.011 12.040 1.00 0.00 C ATOM 1464 CG GLU A 99 -6.189 9.938 13.355 1.00 0.00 C ATOM 1465 CD GLU A 99 -6.691 8.827 14.256 1.00 0.00 C ATOM 1466 OE1 GLU A 99 -7.791 8.975 14.827 1.00 0.00 O ATOM 1467 OE2 GLU A 99 -5.981 7.808 14.391 1.00 0.00 O ATOM 0 H GLU A 99 -7.219 10.259 9.587 1.00 0.00 H new ATOM 0 HA GLU A 99 -7.637 12.004 11.619 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.004 9.816 12.229 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.591 9.220 11.380 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.129 9.785 13.151 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.278 10.892 13.875 1.00 0.00 H new ATOM 1474 N PRO A 100 -4.375 11.387 11.381 1.00 0.00 N ATOM 1475 CA PRO A 100 -3.040 11.903 11.699 1.00 0.00 C ATOM 1476 C PRO A 100 -2.695 13.152 10.895 1.00 0.00 C ATOM 1477 O PRO A 100 -2.235 14.150 11.449 1.00 0.00 O ATOM 1478 CB PRO A 100 -2.114 10.747 11.315 1.00 0.00 C ATOM 1479 CG PRO A 100 -2.867 9.985 10.281 1.00 0.00 C ATOM 1480 CD PRO A 100 -4.320 10.111 10.651 1.00 0.00 C ATOM 0 HA PRO A 100 -2.957 12.206 12.743 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.165 11.113 10.924 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.883 10.122 12.177 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.681 10.389 9.286 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.558 8.940 10.264 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -4.960 10.125 9.769 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -4.651 9.278 11.272 1.00 0.00 H new ATOM 1488 N ARG A 101 -2.921 13.090 9.587 1.00 0.00 N ATOM 1489 CA ARG A 101 -2.633 14.215 8.707 1.00 0.00 C ATOM 1490 C ARG A 101 -3.908 14.986 8.376 1.00 0.00 C ATOM 1491 O ARG A 101 -4.787 14.480 7.679 1.00 0.00 O ATOM 1492 CB ARG A 101 -1.971 13.726 7.418 1.00 0.00 C ATOM 1493 CG ARG A 101 -0.661 12.991 7.648 1.00 0.00 C ATOM 1494 CD ARG A 101 0.115 13.583 8.814 1.00 0.00 C ATOM 1495 NE ARG A 101 1.370 12.877 9.052 1.00 0.00 N ATOM 1496 CZ ARG A 101 2.372 13.377 9.766 1.00 0.00 C ATOM 1497 NH1 ARG A 101 2.265 14.583 10.310 1.00 0.00 N ATOM 1498 NH2 ARG A 101 3.483 12.673 9.940 1.00 0.00 N ATOM 0 H ARG A 101 -3.303 12.271 9.113 1.00 0.00 H new ATOM 0 HA ARG A 101 -1.948 14.885 9.227 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.661 13.066 6.893 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.789 14.580 6.766 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.863 11.938 7.842 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.053 13.038 6.744 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.323 14.634 8.614 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.499 13.545 9.714 1.00 0.00 H new ATOM 0 HE ARG A 101 1.484 11.948 8.647 1.00 0.00 H new ATOM 0 HH11 ARG A 101 1.412 15.127 10.180 1.00 0.00 H new ATOM 0 HH12 ARG A 101 3.036 14.965 10.858 1.00 0.00 H new ATOM 0 HH21 ARG A 101 3.569 11.745 9.525 1.00 0.00 H new ATOM 0 HH22 ARG A 101 4.251 13.060 10.489 1.00 0.00 H new ATOM 1512 N ARG A 102 -4.000 16.212 8.880 1.00 0.00 N ATOM 1513 CA ARG A 102 -5.167 17.052 8.639 1.00 0.00 C ATOM 1514 C ARG A 102 -5.119 17.662 7.241 1.00 0.00 C ATOM 1515 O ARG A 102 -5.945 18.504 6.893 1.00 0.00 O ATOM 1516 CB ARG A 102 -5.249 18.161 9.689 1.00 0.00 C ATOM 1517 CG ARG A 102 -4.209 19.254 9.504 1.00 0.00 C ATOM 1518 CD ARG A 102 -2.832 18.795 9.955 1.00 0.00 C ATOM 1519 NE ARG A 102 -2.011 19.906 10.426 1.00 0.00 N ATOM 1520 CZ ARG A 102 -1.389 20.755 9.616 1.00 0.00 C ATOM 1521 NH1 ARG A 102 -1.495 20.619 8.301 1.00 0.00 N ATOM 1522 NH2 ARG A 102 -0.660 21.743 10.120 1.00 0.00 N ATOM 0 H ARG A 102 -3.280 16.646 9.458 1.00 0.00 H new ATOM 0 HA ARG A 102 -6.056 16.425 8.712 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -6.243 18.608 9.656 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.129 17.722 10.679 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.170 19.547 8.455 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -4.503 20.137 10.071 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -2.938 18.060 10.753 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -2.327 18.297 9.127 1.00 0.00 H new ATOM 0 HE ARG A 102 -1.909 20.038 11.432 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -2.055 19.861 7.910 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -1.017 21.272 7.681 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -0.577 21.851 11.131 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -0.183 22.394 9.496 1.00 0.00 H new ATOM 1536 N GLU A 103 -4.144 17.231 6.447 1.00 0.00 N ATOM 1537 CA GLU A 103 -3.988 17.737 5.088 1.00 0.00 C ATOM 1538 C GLU A 103 -4.980 17.068 4.140 1.00 0.00 C ATOM 1539 O GLU A 103 -5.320 15.896 4.306 1.00 0.00 O ATOM 1540 CB GLU A 103 -2.559 17.503 4.595 1.00 0.00 C ATOM 1541 CG GLU A 103 -2.102 18.509 3.551 1.00 0.00 C ATOM 1542 CD GLU A 103 -2.481 19.934 3.910 1.00 0.00 C ATOM 1543 OE1 GLU A 103 -1.755 20.555 4.714 1.00 0.00 O ATOM 1544 OE2 GLU A 103 -3.503 20.426 3.387 1.00 0.00 O ATOM 0 H GLU A 103 -3.451 16.534 6.721 1.00 0.00 H new ATOM 0 HA GLU A 103 -4.191 18.808 5.101 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.879 17.541 5.446 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.488 16.499 4.176 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.020 18.442 3.436 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.541 18.252 2.587 1.00 0.00 H new ATOM 1551 N LEU A 104 -5.443 17.823 3.150 1.00 0.00 N ATOM 1552 CA LEU A 104 -6.398 17.306 2.176 1.00 0.00 C ATOM 1553 C LEU A 104 -5.716 17.021 0.842 1.00 0.00 C ATOM 1554 O LEU A 104 -4.525 17.290 0.672 1.00 0.00 O ATOM 1555 CB LEU A 104 -7.542 18.301 1.974 1.00 0.00 C ATOM 1556 CG LEU A 104 -8.746 18.137 2.903 1.00 0.00 C ATOM 1557 CD1 LEU A 104 -9.787 19.209 2.620 1.00 0.00 C ATOM 1558 CD2 LEU A 104 -9.351 16.749 2.751 1.00 0.00 C ATOM 0 H LEU A 104 -5.173 18.795 3.000 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.803 16.371 2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.147 19.309 2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.889 18.220 0.944 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.406 18.252 3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.637 19.077 3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.348 20.194 2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -10.124 19.126 1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -10.206 16.650 3.419 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.677 16.605 1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.604 15.997 3.004 1.00 0.00 H new ATOM 1570 N LEU A 105 -6.475 16.476 -0.101 1.00 0.00 N ATOM 1571 CA LEU A 105 -5.944 16.157 -1.422 1.00 0.00 C ATOM 1572 C LEU A 105 -6.389 17.191 -2.452 1.00 0.00 C ATOM 1573 O LEU A 105 -7.299 17.982 -2.202 1.00 0.00 O ATOM 1574 CB LEU A 105 -6.400 14.762 -1.853 1.00 0.00 C ATOM 1575 CG LEU A 105 -6.158 13.637 -0.847 1.00 0.00 C ATOM 1576 CD1 LEU A 105 -6.747 12.330 -1.357 1.00 0.00 C ATOM 1577 CD2 LEU A 105 -4.670 13.481 -0.568 1.00 0.00 C ATOM 0 H LEU A 105 -7.461 16.245 0.024 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.856 16.175 -1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.467 14.802 -2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.892 14.507 -2.783 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.656 13.897 0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.565 11.540 -0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.821 12.448 -1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.278 12.064 -2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.517 12.676 0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.149 13.244 -1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.277 14.412 -0.159 1.00 0.00 H new ATOM 1589 N THR A 106 -5.740 17.179 -3.612 1.00 0.00 N ATOM 1590 CA THR A 106 -6.069 18.114 -4.681 1.00 0.00 C ATOM 1591 C THR A 106 -6.333 17.381 -5.991 1.00 0.00 C ATOM 1592 O THR A 106 -7.411 17.501 -6.573 1.00 0.00 O ATOM 1593 CB THR A 106 -4.939 19.138 -4.898 1.00 0.00 C ATOM 1594 OG1 THR A 106 -3.962 18.607 -5.800 1.00 0.00 O ATOM 1595 CG2 THR A 106 -4.275 19.500 -3.578 1.00 0.00 C ATOM 0 H THR A 106 -4.984 16.532 -3.835 1.00 0.00 H new ATOM 0 HA THR A 106 -6.973 18.640 -4.374 1.00 0.00 H new ATOM 0 HB THR A 106 -5.375 20.041 -5.326 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.661 19.313 -6.409 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.480 20.224 -3.757 1.00 0.00 H new ATOM 0 HG22 THR A 106 -5.015 19.932 -2.905 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.853 18.603 -3.125 1.00 0.00 H new ATOM 1603 N GLN A 107 -5.343 16.622 -6.449 1.00 0.00 N ATOM 1604 CA GLN A 107 -5.470 15.870 -7.692 1.00 0.00 C ATOM 1605 C GLN A 107 -4.602 14.616 -7.659 1.00 0.00 C ATOM 1606 O GLN A 107 -3.583 14.554 -6.973 1.00 0.00 O ATOM 1607 CB GLN A 107 -5.079 16.744 -8.885 1.00 0.00 C ATOM 1608 CG GLN A 107 -3.661 17.287 -8.803 1.00 0.00 C ATOM 1609 CD GLN A 107 -3.341 18.253 -9.925 1.00 0.00 C ATOM 1610 OE1 GLN A 107 -3.061 17.845 -11.052 1.00 0.00 O ATOM 1611 NE2 GLN A 107 -3.380 19.546 -9.622 1.00 0.00 N ATOM 0 H GLN A 107 -4.445 16.511 -5.979 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.512 15.567 -7.800 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -5.184 16.162 -9.801 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -5.775 17.579 -8.956 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -3.523 17.790 -7.846 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -2.956 16.456 -8.831 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -3.617 19.841 -8.675 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -3.173 20.244 -10.337 1.00 0.00 H new ATOM 1620 N PRO A 108 -5.016 13.590 -8.419 1.00 0.00 N ATOM 1621 CA PRO A 108 -4.290 12.318 -8.495 1.00 0.00 C ATOM 1622 C PRO A 108 -2.959 12.452 -9.227 1.00 0.00 C ATOM 1623 O PRO A 108 -2.845 13.211 -10.190 1.00 0.00 O ATOM 1624 CB PRO A 108 -5.244 11.413 -9.279 1.00 0.00 C ATOM 1625 CG PRO A 108 -6.072 12.347 -10.091 1.00 0.00 C ATOM 1626 CD PRO A 108 -6.222 13.593 -9.263 1.00 0.00 C ATOM 0 HA PRO A 108 -4.032 11.936 -7.507 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -4.696 10.716 -9.913 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -5.863 10.816 -8.609 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.591 12.567 -11.044 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -7.044 11.910 -10.318 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -6.274 14.486 -9.886 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -7.132 13.570 -8.663 1.00 0.00 H new ATOM 1634 N CYS A 109 -1.958 11.712 -8.765 1.00 0.00 N ATOM 1635 CA CYS A 109 -0.635 11.749 -9.377 1.00 0.00 C ATOM 1636 C CYS A 109 -0.621 10.971 -10.690 1.00 0.00 C ATOM 1637 O CYS A 109 -1.516 10.169 -10.958 1.00 0.00 O ATOM 1638 CB CYS A 109 0.409 11.174 -8.419 1.00 0.00 C ATOM 1639 SG CYS A 109 2.118 11.409 -8.962 1.00 0.00 S ATOM 0 H CYS A 109 -2.037 11.079 -7.969 1.00 0.00 H new ATOM 0 HA CYS A 109 -0.389 12.789 -9.589 1.00 0.00 H new ATOM 0 HB2 CYS A 109 0.283 11.637 -7.441 1.00 0.00 H new ATOM 0 HB3 CYS A 109 0.222 10.108 -8.293 1.00 0.00 H new ATOM 0 HG CYS A 109 2.927 10.891 -8.086 1.00 0.00 H new ATOM 1645 N ARG A 110 0.401 11.214 -11.505 1.00 0.00 N ATOM 1646 CA ARG A 110 0.529 10.539 -12.790 1.00 0.00 C ATOM 1647 C ARG A 110 1.797 9.690 -12.834 1.00 0.00 C ATOM 1648 O ARG A 110 2.837 10.083 -12.306 1.00 0.00 O ATOM 1649 CB ARG A 110 0.549 11.562 -13.928 1.00 0.00 C ATOM 1650 CG ARG A 110 -0.276 12.806 -13.643 1.00 0.00 C ATOM 1651 CD ARG A 110 -1.760 12.483 -13.557 1.00 0.00 C ATOM 1652 NE ARG A 110 -2.591 13.621 -13.939 1.00 0.00 N ATOM 1653 CZ ARG A 110 -2.633 14.120 -15.170 1.00 0.00 C ATOM 1654 NH1 ARG A 110 -1.894 13.584 -16.132 1.00 0.00 N ATOM 1655 NH2 ARG A 110 -3.415 15.158 -15.440 1.00 0.00 N ATOM 0 H ARG A 110 1.151 11.873 -11.298 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.332 9.883 -12.915 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.580 11.857 -14.122 1.00 0.00 H new ATOM 0 HB3 ARG A 110 0.176 11.089 -14.837 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.054 13.256 -12.707 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.108 13.543 -14.428 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -1.985 11.636 -14.205 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.007 12.180 -12.540 1.00 0.00 H new ATOM 0 HE ARG A 110 -3.171 14.057 -13.222 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -1.291 12.787 -15.928 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -1.928 13.969 -17.076 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.984 15.573 -14.702 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -3.447 15.540 -16.385 1.00 0.00 H new ATOM 1669 N GLN A 111 1.701 8.525 -13.465 1.00 0.00 N ATOM 1670 CA GLN A 111 2.838 7.620 -13.575 1.00 0.00 C ATOM 1671 C GLN A 111 3.933 8.226 -14.448 1.00 0.00 C ATOM 1672 O GLN A 111 3.659 9.044 -15.327 1.00 0.00 O ATOM 1673 CB GLN A 111 2.394 6.276 -14.155 1.00 0.00 C ATOM 1674 CG GLN A 111 1.364 5.556 -13.299 1.00 0.00 C ATOM 1675 CD GLN A 111 -0.059 5.938 -13.655 1.00 0.00 C ATOM 1676 OE1 GLN A 111 -0.294 6.702 -14.591 1.00 0.00 O ATOM 1677 NE2 GLN A 111 -1.019 5.407 -12.906 1.00 0.00 N ATOM 0 H GLN A 111 0.847 8.185 -13.908 1.00 0.00 H new ATOM 0 HA GLN A 111 3.241 7.461 -12.575 1.00 0.00 H new ATOM 0 HB2 GLN A 111 1.979 6.438 -15.150 1.00 0.00 H new ATOM 0 HB3 GLN A 111 3.267 5.635 -14.275 1.00 0.00 H new ATOM 0 HG2 GLN A 111 1.488 4.479 -13.417 1.00 0.00 H new ATOM 0 HG3 GLN A 111 1.546 5.785 -12.249 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -0.779 4.778 -12.140 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -1.996 5.628 -13.097 1.00 0.00 H new ATOM 1686 N LYS A 112 5.173 7.820 -14.201 1.00 0.00 N ATOM 1687 CA LYS A 112 6.310 8.322 -14.963 1.00 0.00 C ATOM 1688 C LYS A 112 6.256 7.832 -16.407 1.00 0.00 C ATOM 1689 O LYS A 112 6.829 6.794 -16.741 1.00 0.00 O ATOM 1690 CB LYS A 112 7.622 7.880 -14.312 1.00 0.00 C ATOM 1691 CG LYS A 112 7.922 8.592 -13.004 1.00 0.00 C ATOM 1692 CD LYS A 112 9.349 8.339 -12.546 1.00 0.00 C ATOM 1693 CE LYS A 112 10.306 9.386 -13.097 1.00 0.00 C ATOM 1694 NZ LYS A 112 10.810 9.020 -14.449 1.00 0.00 N ATOM 0 H LYS A 112 5.417 7.143 -13.478 1.00 0.00 H new ATOM 0 HA LYS A 112 6.262 9.411 -14.965 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.584 6.806 -14.131 1.00 0.00 H new ATOM 0 HB3 LYS A 112 8.441 8.057 -15.009 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.763 9.663 -13.127 1.00 0.00 H new ATOM 0 HG3 LYS A 112 7.227 8.253 -12.236 1.00 0.00 H new ATOM 0 HD2 LYS A 112 9.389 8.345 -11.457 1.00 0.00 H new ATOM 0 HD3 LYS A 112 9.666 7.348 -12.871 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.800 10.350 -13.147 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.148 9.503 -12.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.751 9.439 -14.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.877 7.985 -14.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.155 9.380 -15.173 1.00 0.00 H new ATOM 1708 N ASP A 113 5.565 8.583 -17.256 1.00 0.00 N ATOM 1709 CA ASP A 113 5.439 8.225 -18.665 1.00 0.00 C ATOM 1710 C ASP A 113 4.862 9.386 -19.470 1.00 0.00 C ATOM 1711 O ASP A 113 3.704 9.761 -19.293 1.00 0.00 O ATOM 1712 CB ASP A 113 4.553 6.989 -18.821 1.00 0.00 C ATOM 1713 CG ASP A 113 4.889 6.190 -20.066 1.00 0.00 C ATOM 1714 OD1 ASP A 113 6.026 5.680 -20.153 1.00 0.00 O ATOM 1715 OD2 ASP A 113 4.016 6.075 -20.951 1.00 0.00 O ATOM 0 H ASP A 113 5.083 9.443 -16.994 1.00 0.00 H new ATOM 0 HA ASP A 113 6.434 7.999 -19.049 1.00 0.00 H new ATOM 0 HB2 ASP A 113 4.664 6.353 -17.943 1.00 0.00 H new ATOM 0 HB3 ASP A 113 3.508 7.297 -18.861 1.00 0.00 H new ATOM 1720 N SER A 114 5.679 9.950 -20.354 1.00 0.00 N ATOM 1721 CA SER A 114 5.252 11.071 -21.183 1.00 0.00 C ATOM 1722 C SER A 114 3.892 10.791 -21.815 1.00 0.00 C ATOM 1723 O SER A 114 2.979 11.612 -21.740 1.00 0.00 O ATOM 1724 CB SER A 114 6.286 11.349 -22.275 1.00 0.00 C ATOM 1725 OG SER A 114 7.320 12.191 -21.795 1.00 0.00 O ATOM 0 H SER A 114 6.640 9.649 -20.514 1.00 0.00 H new ATOM 0 HA SER A 114 5.164 11.950 -20.544 1.00 0.00 H new ATOM 0 HB2 SER A 114 6.712 10.409 -22.625 1.00 0.00 H new ATOM 0 HB3 SER A 114 5.799 11.817 -23.131 1.00 0.00 H new ATOM 0 HG SER A 114 7.969 12.352 -22.511 1.00 0.00 H new ATOM 1731 N GLY A 115 3.765 9.624 -22.440 1.00 0.00 N ATOM 1732 CA GLY A 115 2.514 9.255 -23.076 1.00 0.00 C ATOM 1733 C GLY A 115 1.632 8.411 -22.178 1.00 0.00 C ATOM 1734 O GLY A 115 2.112 7.685 -21.307 1.00 0.00 O ATOM 0 H GLY A 115 4.506 8.928 -22.517 1.00 0.00 H new ATOM 0 HA2 GLY A 115 1.976 10.158 -23.363 1.00 0.00 H new ATOM 0 HA3 GLY A 115 2.725 8.705 -23.993 1.00 0.00 H new ATOM 1738 N PRO A 116 0.310 8.505 -22.383 1.00 0.00 N ATOM 1739 CA PRO A 116 -0.668 7.752 -21.592 1.00 0.00 C ATOM 1740 C PRO A 116 -0.629 6.257 -21.891 1.00 0.00 C ATOM 1741 O PRO A 116 -0.864 5.431 -21.010 1.00 0.00 O ATOM 1742 CB PRO A 116 -2.009 8.349 -22.027 1.00 0.00 C ATOM 1743 CG PRO A 116 -1.760 8.884 -23.395 1.00 0.00 C ATOM 1744 CD PRO A 116 -0.331 9.352 -23.402 1.00 0.00 C ATOM 0 HA PRO A 116 -0.476 7.832 -20.522 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -2.795 7.594 -22.034 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -2.331 9.137 -21.346 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -1.923 8.115 -24.150 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -2.441 9.704 -23.623 1.00 0.00 H new ATOM 0 HD2 PRO A 116 0.130 9.221 -24.381 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -0.253 10.410 -23.152 1.00 0.00 H new ATOM 1752 N SER A 117 -0.329 5.917 -23.142 1.00 0.00 N ATOM 1753 CA SER A 117 -0.262 4.521 -23.557 1.00 0.00 C ATOM 1754 C SER A 117 0.845 3.783 -22.808 1.00 0.00 C ATOM 1755 O SER A 117 1.829 4.386 -22.381 1.00 0.00 O ATOM 1756 CB SER A 117 -0.022 4.427 -25.065 1.00 0.00 C ATOM 1757 OG SER A 117 -0.297 3.122 -25.546 1.00 0.00 O ATOM 0 H SER A 117 -0.129 6.588 -23.883 1.00 0.00 H new ATOM 0 HA SER A 117 -1.215 4.050 -23.317 1.00 0.00 H new ATOM 0 HB2 SER A 117 -0.654 5.149 -25.582 1.00 0.00 H new ATOM 0 HB3 SER A 117 1.012 4.690 -25.289 1.00 0.00 H new ATOM 0 HG SER A 117 -0.137 3.089 -26.512 1.00 0.00 H new ATOM 1763 N SER A 118 0.675 2.474 -22.653 1.00 0.00 N ATOM 1764 CA SER A 118 1.656 1.654 -21.953 1.00 0.00 C ATOM 1765 C SER A 118 2.113 0.489 -22.826 1.00 0.00 C ATOM 1766 O SER A 118 1.374 0.018 -23.689 1.00 0.00 O ATOM 1767 CB SER A 118 1.068 1.124 -20.643 1.00 0.00 C ATOM 1768 OG SER A 118 2.085 0.886 -19.686 1.00 0.00 O ATOM 0 H SER A 118 -0.133 1.959 -23.003 1.00 0.00 H new ATOM 0 HA SER A 118 2.521 2.279 -21.729 1.00 0.00 H new ATOM 0 HB2 SER A 118 0.352 1.843 -20.245 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.521 0.201 -20.834 1.00 0.00 H new ATOM 0 HG SER A 118 1.683 0.550 -18.858 1.00 0.00 H new ATOM 1774 N GLY A 119 3.339 0.028 -22.593 1.00 0.00 N ATOM 1775 CA GLY A 119 3.874 -1.077 -23.366 1.00 0.00 C ATOM 1776 C GLY A 119 3.585 -0.942 -24.848 1.00 0.00 C ATOM 1777 O GLY A 119 4.237 -0.165 -25.546 1.00 0.00 O ATOM 0 H GLY A 119 3.970 0.400 -21.883 1.00 0.00 H new ATOM 0 HA2 GLY A 119 4.952 -1.135 -23.213 1.00 0.00 H new ATOM 0 HA3 GLY A 119 3.449 -2.012 -23.000 1.00 0.00 H new TER 1781 GLY A 119