USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 894 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 77 HIS : no HE2:sc= -0.474 K(o=-0.47,f=-2.3) USER MOD Set 1.2: A 104 SER OG : rot -170:sc= 0 USER MOD Set 2.1: A 71 GLN : amide:sc=-0.00873 K(o=-0.017,f=-5!) USER MOD Set 2.2: A 74 SER OG : rot -74:sc=-0.00857 USER MOD Set 3.1: A 37 SER OG : rot -18:sc= 0.426 USER MOD Set 3.2: A 38 LYS NZ :NH3+ -134:sc= -0.769 (180deg=-2.4!) USER MOD Set 4.1: A 31 THR OG1 : rot 180:sc= 0.611 USER MOD Set 4.2: A 34 ASN : amide:sc= -0.0499 X(o=0.56,f=0.35) USER MOD Set 5.1: A 16 THR OG1 : rot 115:sc= 0.213 USER MOD Set 5.2: A 18 THR OG1 : rot 180:sc= 0.466 USER MOD Set 6.1: A 3 HIS : no HE2:sc= -0.757 K(o=-0.76,f=-3.2) USER MOD Set 6.2: A 6 HIS : no HD1:sc= 0 X(o=-0.76,f=-0.76) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -152:sc= -0.114 (180deg=-0.721) USER MOD Single : A 2 HIS : no HD1:sc= -0.0944 X(o=-0.094,f=-0.5) USER MOD Single : A 4 HIS : no HD1:sc= -0.0111 X(o=-0.011,f=-0.15) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 7 HIS : no HD1:sc= -0.17 K(o=-0.17,f=-0.87) USER MOD Single : A 11 GLN : amide:sc= -1.19 K(o=-1.2,f=-5.4!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -141:sc= 1.25 (180deg=0.0414) USER MOD Single : A 40 GLN : amide:sc= -0.174 K(o=-0.17,f=-0.72) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -2.27 F(o=-3.8!,f=-2.3) USER MOD Single : A 50 GLN :FLIP amide:sc= -4.72! C(o=-6.4!,f=-4.7!) USER MOD Single : A 57 LYS NZ :NH3+ -169:sc=-0.000732 (180deg=-0.144) USER MOD Single : A 58 GLN : amide:sc=-0.00776 K(o=-0.0078,f=-0.74) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.83 USER MOD Single : A 66 SER OG : rot -18:sc= 0.437 USER MOD Single : A 68 TYR OH : rot 30:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.543 X(o=-0.54,f=-0.51) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -145:sc= -1.62! (180deg=-3.96!) USER MOD Single : A 106 LYS NZ :NH3+ -154:sc= -0.0798 (180deg=-0.833) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -0.355 X(o=-0.36,f=-0.033) USER MOD Single : A 111 SER OG : rot -87:sc= 0.192 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 113.406 22.802 -7.301 1.00 0.00 N ATOM 2 CA MET A 1 113.501 21.864 -6.146 1.00 0.00 C ATOM 3 C MET A 1 112.264 20.973 -6.117 1.00 0.00 C ATOM 4 O MET A 1 111.191 21.400 -5.686 1.00 0.00 O ATOM 5 CB MET A 1 113.598 22.668 -4.843 1.00 0.00 C ATOM 6 CG MET A 1 114.941 23.402 -4.785 1.00 0.00 C ATOM 7 SD MET A 1 114.832 24.763 -3.593 1.00 0.00 S ATOM 8 CE MET A 1 115.775 23.984 -2.257 1.00 0.00 C ATOM 0 H1 MET A 1 114.362 23.058 -7.620 1.00 0.00 H new ATOM 0 H2 MET A 1 112.893 22.342 -8.080 1.00 0.00 H new ATOM 0 H3 MET A 1 112.896 23.661 -7.010 1.00 0.00 H new ATOM 0 HA MET A 1 114.390 21.241 -6.249 1.00 0.00 H new ATOM 0 HB2 MET A 1 112.779 23.385 -4.785 1.00 0.00 H new ATOM 0 HB3 MET A 1 113.500 22.002 -3.986 1.00 0.00 H new ATOM 0 HG2 MET A 1 115.733 22.712 -4.494 1.00 0.00 H new ATOM 0 HG3 MET A 1 115.200 23.787 -5.771 1.00 0.00 H new ATOM 0 HE1 MET A 1 115.832 24.664 -1.407 1.00 0.00 H new ATOM 0 HE2 MET A 1 115.280 23.062 -1.952 1.00 0.00 H new ATOM 0 HE3 MET A 1 116.782 23.756 -2.607 1.00 0.00 H new ATOM 20 N HIS A 2 112.419 19.733 -6.580 1.00 0.00 N ATOM 21 CA HIS A 2 111.309 18.788 -6.603 1.00 0.00 C ATOM 22 C HIS A 2 111.755 17.420 -6.094 1.00 0.00 C ATOM 23 O HIS A 2 112.319 16.621 -6.845 1.00 0.00 O ATOM 24 CB HIS A 2 110.761 18.656 -8.029 1.00 0.00 C ATOM 25 CG HIS A 2 109.658 17.630 -8.056 1.00 0.00 C ATOM 26 ND1 HIS A 2 108.807 17.433 -6.980 1.00 0.00 N ATOM 27 CD2 HIS A 2 109.261 16.733 -9.017 1.00 0.00 C ATOM 28 CE1 HIS A 2 107.949 16.453 -7.317 1.00 0.00 C ATOM 29 NE2 HIS A 2 108.182 15.990 -8.548 1.00 0.00 N ATOM 0 H HIS A 2 113.298 19.363 -6.942 1.00 0.00 H new ATOM 0 HA HIS A 2 110.524 19.165 -5.948 1.00 0.00 H new ATOM 0 HB2 HIS A 2 110.384 19.619 -8.375 1.00 0.00 H new ATOM 0 HB3 HIS A 2 111.560 18.363 -8.710 1.00 0.00 H new ATOM 0 HD2 HIS A 2 109.717 16.621 -9.990 1.00 0.00 H new ATOM 0 HE1 HIS A 2 107.166 16.085 -6.670 1.00 0.00 H new ATOM 0 HE2 HIS A 2 107.678 15.251 -9.038 1.00 0.00 H new ATOM 37 N HIS A 3 111.495 17.155 -4.818 1.00 0.00 N ATOM 38 CA HIS A 3 111.866 15.878 -4.218 1.00 0.00 C ATOM 39 C HIS A 3 110.713 14.886 -4.343 1.00 0.00 C ATOM 40 O HIS A 3 109.566 15.215 -4.039 1.00 0.00 O ATOM 41 CB HIS A 3 112.227 16.077 -2.743 1.00 0.00 C ATOM 42 CG HIS A 3 112.628 14.759 -2.136 1.00 0.00 C ATOM 43 ND1 HIS A 3 111.745 13.984 -1.402 1.00 0.00 N ATOM 44 CD2 HIS A 3 113.814 14.066 -2.149 1.00 0.00 C ATOM 45 CE1 HIS A 3 112.406 12.881 -1.005 1.00 0.00 C ATOM 46 NE2 HIS A 3 113.671 12.881 -1.434 1.00 0.00 N ATOM 0 H HIS A 3 111.031 17.804 -4.182 1.00 0.00 H new ATOM 0 HA HIS A 3 112.733 15.480 -4.745 1.00 0.00 H new ATOM 0 HB2 HIS A 3 113.043 16.794 -2.652 1.00 0.00 H new ATOM 0 HB3 HIS A 3 111.376 16.493 -2.203 1.00 0.00 H new ATOM 0 HD1 HIS A 3 110.771 14.209 -1.199 1.00 0.00 H new ATOM 0 HD2 HIS A 3 114.719 14.391 -2.639 1.00 0.00 H new ATOM 0 HE1 HIS A 3 111.967 12.092 -0.412 1.00 0.00 H new ATOM 54 N HIS A 4 111.025 13.675 -4.795 1.00 0.00 N ATOM 55 CA HIS A 4 110.006 12.645 -4.961 1.00 0.00 C ATOM 56 C HIS A 4 110.648 11.265 -5.059 1.00 0.00 C ATOM 57 O HIS A 4 111.655 11.087 -5.745 1.00 0.00 O ATOM 58 CB HIS A 4 109.185 12.922 -6.226 1.00 0.00 C ATOM 59 CG HIS A 4 108.103 11.885 -6.368 1.00 0.00 C ATOM 60 ND1 HIS A 4 107.276 11.533 -5.314 1.00 0.00 N ATOM 61 CD2 HIS A 4 107.703 11.117 -7.433 1.00 0.00 C ATOM 62 CE1 HIS A 4 106.427 10.591 -5.764 1.00 0.00 C ATOM 63 NE2 HIS A 4 106.643 10.300 -7.049 1.00 0.00 N ATOM 0 H HIS A 4 111.969 13.385 -5.051 1.00 0.00 H new ATOM 0 HA HIS A 4 109.350 12.665 -4.091 1.00 0.00 H new ATOM 0 HB2 HIS A 4 108.743 13.917 -6.173 1.00 0.00 H new ATOM 0 HB3 HIS A 4 109.833 12.907 -7.102 1.00 0.00 H new ATOM 0 HD2 HIS A 4 108.143 11.143 -8.419 1.00 0.00 H new ATOM 0 HE1 HIS A 4 105.663 10.126 -5.159 1.00 0.00 H new ATOM 0 HE2 HIS A 4 106.140 9.625 -7.625 1.00 0.00 H new ATOM 71 N HIS A 5 110.053 10.295 -4.365 1.00 0.00 N ATOM 72 CA HIS A 5 110.557 8.924 -4.367 1.00 0.00 C ATOM 73 C HIS A 5 111.981 8.864 -3.817 1.00 0.00 C ATOM 74 O HIS A 5 112.943 9.200 -4.509 1.00 0.00 O ATOM 75 CB HIS A 5 110.522 8.345 -5.786 1.00 0.00 C ATOM 76 CG HIS A 5 110.680 6.850 -5.720 1.00 0.00 C ATOM 77 ND1 HIS A 5 109.672 6.022 -5.253 1.00 0.00 N ATOM 78 CD2 HIS A 5 111.724 6.022 -6.048 1.00 0.00 C ATOM 79 CE1 HIS A 5 110.127 4.757 -5.313 1.00 0.00 C ATOM 80 NE2 HIS A 5 111.373 4.701 -5.790 1.00 0.00 N ATOM 0 H HIS A 5 109.220 10.435 -3.793 1.00 0.00 H new ATOM 0 HA HIS A 5 109.912 8.328 -3.722 1.00 0.00 H new ATOM 0 HB2 HIS A 5 109.581 8.601 -6.272 1.00 0.00 H new ATOM 0 HB3 HIS A 5 111.320 8.780 -6.388 1.00 0.00 H new ATOM 0 HD2 HIS A 5 112.674 6.347 -6.446 1.00 0.00 H new ATOM 0 HE1 HIS A 5 109.554 3.892 -5.012 1.00 0.00 H new ATOM 0 HE2 HIS A 5 111.944 3.869 -5.934 1.00 0.00 H new ATOM 88 N HIS A 6 112.102 8.428 -2.567 1.00 0.00 N ATOM 89 CA HIS A 6 113.406 8.317 -1.920 1.00 0.00 C ATOM 90 C HIS A 6 113.357 7.281 -0.803 1.00 0.00 C ATOM 91 O HIS A 6 114.395 6.845 -0.301 1.00 0.00 O ATOM 92 CB HIS A 6 113.826 9.675 -1.349 1.00 0.00 C ATOM 93 CG HIS A 6 115.300 9.880 -1.563 1.00 0.00 C ATOM 94 ND1 HIS A 6 115.822 10.278 -2.784 1.00 0.00 N ATOM 95 CD2 HIS A 6 116.377 9.741 -0.724 1.00 0.00 C ATOM 96 CE1 HIS A 6 117.157 10.364 -2.647 1.00 0.00 C ATOM 97 NE2 HIS A 6 117.549 10.047 -1.409 1.00 0.00 N ATOM 0 H HIS A 6 111.315 8.146 -1.982 1.00 0.00 H new ATOM 0 HA HIS A 6 114.137 7.999 -2.664 1.00 0.00 H new ATOM 0 HB2 HIS A 6 113.264 10.474 -1.833 1.00 0.00 H new ATOM 0 HB3 HIS A 6 113.593 9.721 -0.285 1.00 0.00 H new ATOM 0 HD2 HIS A 6 116.323 9.440 0.312 1.00 0.00 H new ATOM 0 HE1 HIS A 6 117.830 10.654 -3.440 1.00 0.00 H new ATOM 0 HE2 HIS A 6 118.502 10.033 -1.045 1.00 0.00 H new ATOM 105 N HIS A 7 112.142 6.893 -0.418 1.00 0.00 N ATOM 106 CA HIS A 7 111.953 5.906 0.641 1.00 0.00 C ATOM 107 C HIS A 7 110.982 4.820 0.190 1.00 0.00 C ATOM 108 O HIS A 7 110.035 5.087 -0.552 1.00 0.00 O ATOM 109 CB HIS A 7 111.413 6.589 1.901 1.00 0.00 C ATOM 110 CG HIS A 7 112.398 7.625 2.370 1.00 0.00 C ATOM 111 ND1 HIS A 7 112.377 8.929 1.902 1.00 0.00 N ATOM 112 CD2 HIS A 7 113.442 7.562 3.259 1.00 0.00 C ATOM 113 CE1 HIS A 7 113.382 9.592 2.503 1.00 0.00 C ATOM 114 NE2 HIS A 7 114.062 8.804 3.342 1.00 0.00 N ATOM 0 H HIS A 7 111.276 7.247 -0.824 1.00 0.00 H new ATOM 0 HA HIS A 7 112.916 5.447 0.863 1.00 0.00 H new ATOM 0 HB2 HIS A 7 110.451 7.055 1.691 1.00 0.00 H new ATOM 0 HB3 HIS A 7 111.245 5.850 2.685 1.00 0.00 H new ATOM 0 HD2 HIS A 7 113.737 6.681 3.810 1.00 0.00 H new ATOM 0 HE1 HIS A 7 113.611 10.633 2.329 1.00 0.00 H new ATOM 0 HE2 HIS A 7 114.863 9.059 3.919 1.00 0.00 H new ATOM 122 N GLY A 8 111.226 3.594 0.644 1.00 0.00 N ATOM 123 CA GLY A 8 110.373 2.467 0.285 1.00 0.00 C ATOM 124 C GLY A 8 110.564 1.312 1.261 1.00 0.00 C ATOM 125 O GLY A 8 111.679 0.824 1.447 1.00 0.00 O ATOM 0 H GLY A 8 112.005 3.357 1.259 1.00 0.00 H new ATOM 0 HA2 GLY A 8 109.329 2.781 0.285 1.00 0.00 H new ATOM 0 HA3 GLY A 8 110.606 2.136 -0.727 1.00 0.00 H new ATOM 129 N GLU A 9 109.469 0.882 1.883 1.00 0.00 N ATOM 130 CA GLU A 9 109.521 -0.218 2.840 1.00 0.00 C ATOM 131 C GLU A 9 108.265 -1.076 2.731 1.00 0.00 C ATOM 132 O GLU A 9 108.329 -2.301 2.828 1.00 0.00 O ATOM 133 CB GLU A 9 109.646 0.334 4.263 1.00 0.00 C ATOM 134 CG GLU A 9 110.299 -0.715 5.167 1.00 0.00 C ATOM 135 CD GLU A 9 110.053 -0.368 6.633 1.00 0.00 C ATOM 136 OE1 GLU A 9 109.036 -0.790 7.159 1.00 0.00 O ATOM 137 OE2 GLU A 9 110.883 0.317 7.206 1.00 0.00 O ATOM 0 H GLU A 9 108.539 1.277 1.742 1.00 0.00 H new ATOM 0 HA GLU A 9 110.391 -0.835 2.614 1.00 0.00 H new ATOM 0 HB2 GLU A 9 110.242 1.246 4.259 1.00 0.00 H new ATOM 0 HB3 GLU A 9 108.661 0.599 4.649 1.00 0.00 H new ATOM 0 HG2 GLU A 9 109.892 -1.702 4.945 1.00 0.00 H new ATOM 0 HG3 GLU A 9 111.370 -0.760 4.970 1.00 0.00 H new ATOM 144 N PHE A 10 107.130 -0.418 2.509 1.00 0.00 N ATOM 145 CA PHE A 10 105.856 -1.115 2.365 1.00 0.00 C ATOM 146 C PHE A 10 104.883 -0.256 1.566 1.00 0.00 C ATOM 147 O PHE A 10 104.570 0.872 1.953 1.00 0.00 O ATOM 148 CB PHE A 10 105.267 -1.434 3.744 1.00 0.00 C ATOM 149 CG PHE A 10 105.991 -2.622 4.339 1.00 0.00 C ATOM 150 CD1 PHE A 10 105.809 -3.899 3.791 1.00 0.00 C ATOM 151 CD2 PHE A 10 106.850 -2.446 5.430 1.00 0.00 C ATOM 152 CE1 PHE A 10 106.484 -4.996 4.336 1.00 0.00 C ATOM 153 CE2 PHE A 10 107.526 -3.544 5.974 1.00 0.00 C ATOM 154 CZ PHE A 10 107.343 -4.819 5.427 1.00 0.00 C ATOM 0 H PHE A 10 107.067 0.597 2.425 1.00 0.00 H new ATOM 0 HA PHE A 10 106.024 -2.051 1.832 1.00 0.00 H new ATOM 0 HB2 PHE A 10 105.363 -0.570 4.401 1.00 0.00 H new ATOM 0 HB3 PHE A 10 104.202 -1.650 3.655 1.00 0.00 H new ATOM 0 HD1 PHE A 10 105.148 -4.036 2.948 1.00 0.00 H new ATOM 0 HD2 PHE A 10 106.991 -1.462 5.852 1.00 0.00 H new ATOM 0 HE1 PHE A 10 106.342 -5.980 3.915 1.00 0.00 H new ATOM 0 HE2 PHE A 10 108.189 -3.407 6.816 1.00 0.00 H new ATOM 0 HZ PHE A 10 107.865 -5.667 5.847 1.00 0.00 H new ATOM 164 N GLN A 11 104.404 -0.805 0.453 1.00 0.00 N ATOM 165 CA GLN A 11 103.456 -0.101 -0.409 1.00 0.00 C ATOM 166 C GLN A 11 102.239 -0.972 -0.688 1.00 0.00 C ATOM 167 O GLN A 11 102.297 -2.188 -0.537 1.00 0.00 O ATOM 168 CB GLN A 11 104.125 0.278 -1.732 1.00 0.00 C ATOM 169 CG GLN A 11 104.972 -0.895 -2.244 1.00 0.00 C ATOM 170 CD GLN A 11 106.417 -0.755 -1.769 1.00 0.00 C ATOM 171 OE1 GLN A 11 106.759 -1.206 -0.675 1.00 0.00 O ATOM 172 NE2 GLN A 11 107.291 -0.159 -2.531 1.00 0.00 N ATOM 0 H GLN A 11 104.657 -1.737 0.125 1.00 0.00 H new ATOM 0 HA GLN A 11 103.134 0.804 0.106 1.00 0.00 H new ATOM 0 HB2 GLN A 11 103.367 0.540 -2.470 1.00 0.00 H new ATOM 0 HB3 GLN A 11 104.753 1.158 -1.593 1.00 0.00 H new ATOM 0 HG2 GLN A 11 104.555 -1.836 -1.887 1.00 0.00 H new ATOM 0 HG3 GLN A 11 104.942 -0.926 -3.333 1.00 0.00 H new ATOM 0 HE21 GLN A 11 107.007 0.214 -3.437 1.00 0.00 H new ATOM 0 HE22 GLN A 11 108.258 -0.066 -2.221 1.00 0.00 H new ATOM 181 N ILE A 12 101.147 -0.349 -1.116 1.00 0.00 N ATOM 182 CA ILE A 12 99.930 -1.090 -1.436 1.00 0.00 C ATOM 183 C ILE A 12 99.208 -0.440 -2.609 1.00 0.00 C ATOM 184 O ILE A 12 99.486 0.707 -2.964 1.00 0.00 O ATOM 185 CB ILE A 12 98.991 -1.146 -0.225 1.00 0.00 C ATOM 186 CG1 ILE A 12 98.555 0.274 0.159 1.00 0.00 C ATOM 187 CG2 ILE A 12 99.707 -1.804 0.959 1.00 0.00 C ATOM 188 CD1 ILE A 12 97.215 0.220 0.899 1.00 0.00 C ATOM 0 H ILE A 12 101.078 0.660 -1.249 1.00 0.00 H new ATOM 0 HA ILE A 12 100.216 -2.106 -1.706 1.00 0.00 H new ATOM 0 HB ILE A 12 98.111 -1.735 -0.483 1.00 0.00 H new ATOM 0 HG12 ILE A 12 99.312 0.739 0.791 1.00 0.00 H new ATOM 0 HG13 ILE A 12 98.463 0.891 -0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 12 99.035 -1.841 1.816 1.00 0.00 H new ATOM 0 HG22 ILE A 12 100.004 -2.817 0.687 1.00 0.00 H new ATOM 0 HG23 ILE A 12 100.592 -1.223 1.217 1.00 0.00 H new ATOM 0 HD11 ILE A 12 96.908 1.230 1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 12 96.460 -0.227 0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 12 97.322 -0.381 1.802 1.00 0.00 H new ATOM 200 N PHE A 13 98.275 -1.178 -3.201 1.00 0.00 N ATOM 201 CA PHE A 13 97.506 -0.665 -4.327 1.00 0.00 C ATOM 202 C PHE A 13 96.071 -0.410 -3.904 1.00 0.00 C ATOM 203 O PHE A 13 95.377 -1.322 -3.461 1.00 0.00 O ATOM 204 CB PHE A 13 97.536 -1.662 -5.489 1.00 0.00 C ATOM 205 CG PHE A 13 98.694 -1.339 -6.405 1.00 0.00 C ATOM 206 CD1 PHE A 13 98.583 -0.299 -7.335 1.00 0.00 C ATOM 207 CD2 PHE A 13 99.879 -2.081 -6.324 1.00 0.00 C ATOM 208 CE1 PHE A 13 99.656 0.001 -8.184 1.00 0.00 C ATOM 209 CE2 PHE A 13 100.952 -1.782 -7.172 1.00 0.00 C ATOM 210 CZ PHE A 13 100.840 -0.741 -8.102 1.00 0.00 C ATOM 0 H PHE A 13 98.034 -2.129 -2.921 1.00 0.00 H new ATOM 0 HA PHE A 13 97.953 0.273 -4.656 1.00 0.00 H new ATOM 0 HB2 PHE A 13 97.634 -2.678 -5.107 1.00 0.00 H new ATOM 0 HB3 PHE A 13 96.598 -1.619 -6.043 1.00 0.00 H new ATOM 0 HD1 PHE A 13 97.669 0.273 -7.398 1.00 0.00 H new ATOM 0 HD2 PHE A 13 99.965 -2.884 -5.607 1.00 0.00 H new ATOM 0 HE1 PHE A 13 99.570 0.804 -8.901 1.00 0.00 H new ATOM 0 HE2 PHE A 13 101.866 -2.354 -7.109 1.00 0.00 H new ATOM 0 HZ PHE A 13 101.668 -0.511 -8.756 1.00 0.00 H new ATOM 220 N ALA A 14 95.633 0.832 -4.061 1.00 0.00 N ATOM 221 CA ALA A 14 94.272 1.208 -3.708 1.00 0.00 C ATOM 222 C ALA A 14 93.486 1.532 -4.969 1.00 0.00 C ATOM 223 O ALA A 14 93.815 2.473 -5.693 1.00 0.00 O ATOM 224 CB ALA A 14 94.282 2.421 -2.774 1.00 0.00 C ATOM 0 H ALA A 14 96.200 1.595 -4.430 1.00 0.00 H new ATOM 0 HA ALA A 14 93.797 0.373 -3.192 1.00 0.00 H new ATOM 0 HB1 ALA A 14 93.258 2.692 -2.518 1.00 0.00 H new ATOM 0 HB2 ALA A 14 94.831 2.176 -1.865 1.00 0.00 H new ATOM 0 HB3 ALA A 14 94.765 3.261 -3.274 1.00 0.00 H new ATOM 230 N LYS A 15 92.446 0.748 -5.219 1.00 0.00 N ATOM 231 CA LYS A 15 91.609 0.953 -6.392 1.00 0.00 C ATOM 232 C LYS A 15 90.301 1.616 -5.990 1.00 0.00 C ATOM 233 O LYS A 15 89.831 1.452 -4.866 1.00 0.00 O ATOM 234 CB LYS A 15 91.322 -0.383 -7.079 1.00 0.00 C ATOM 235 CG LYS A 15 90.904 -0.133 -8.534 1.00 0.00 C ATOM 236 CD LYS A 15 92.026 -0.578 -9.478 1.00 0.00 C ATOM 237 CE LYS A 15 91.926 -2.085 -9.726 1.00 0.00 C ATOM 238 NZ LYS A 15 90.912 -2.347 -10.787 1.00 0.00 N ATOM 0 H LYS A 15 92.163 -0.033 -4.627 1.00 0.00 H new ATOM 0 HA LYS A 15 92.139 1.602 -7.089 1.00 0.00 H new ATOM 0 HB2 LYS A 15 92.208 -1.017 -7.048 1.00 0.00 H new ATOM 0 HB3 LYS A 15 90.531 -0.914 -6.549 1.00 0.00 H new ATOM 0 HG2 LYS A 15 89.988 -0.680 -8.759 1.00 0.00 H new ATOM 0 HG3 LYS A 15 90.688 0.925 -8.684 1.00 0.00 H new ATOM 0 HD2 LYS A 15 91.954 -0.039 -10.423 1.00 0.00 H new ATOM 0 HD3 LYS A 15 92.996 -0.335 -9.045 1.00 0.00 H new ATOM 0 HE2 LYS A 15 92.896 -2.480 -10.029 1.00 0.00 H new ATOM 0 HE3 LYS A 15 91.646 -2.598 -8.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 90.843 -3.371 -10.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 89.987 -1.984 -10.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 91.197 -1.869 -11.666 1.00 0.00 H new ATOM 252 N THR A 16 89.716 2.354 -6.922 1.00 0.00 N ATOM 253 CA THR A 16 88.453 3.032 -6.664 1.00 0.00 C ATOM 254 C THR A 16 87.342 2.424 -7.507 1.00 0.00 C ATOM 255 O THR A 16 87.604 1.770 -8.518 1.00 0.00 O ATOM 256 CB THR A 16 88.580 4.524 -6.971 1.00 0.00 C ATOM 257 OG1 THR A 16 88.792 4.702 -8.362 1.00 0.00 O ATOM 258 CG2 THR A 16 89.758 5.108 -6.186 1.00 0.00 C ATOM 0 H THR A 16 90.093 2.499 -7.859 1.00 0.00 H new ATOM 0 HA THR A 16 88.204 2.907 -5.610 1.00 0.00 H new ATOM 0 HB THR A 16 87.665 5.038 -6.678 1.00 0.00 H new ATOM 0 HG1 THR A 16 88.027 5.175 -8.751 1.00 0.00 H new ATOM 0 HG21 THR A 16 89.849 6.172 -6.405 1.00 0.00 H new ATOM 0 HG22 THR A 16 89.588 4.970 -5.118 1.00 0.00 H new ATOM 0 HG23 THR A 16 90.677 4.598 -6.476 1.00 0.00 H new ATOM 266 N LEU A 17 86.101 2.648 -7.087 1.00 0.00 N ATOM 267 CA LEU A 17 84.947 2.128 -7.811 1.00 0.00 C ATOM 268 C LEU A 17 85.032 2.533 -9.281 1.00 0.00 C ATOM 269 O LEU A 17 84.849 1.707 -10.176 1.00 0.00 O ATOM 270 CB LEU A 17 83.661 2.683 -7.180 1.00 0.00 C ATOM 271 CG LEU A 17 82.458 1.784 -7.499 1.00 0.00 C ATOM 272 CD1 LEU A 17 82.231 1.707 -9.012 1.00 0.00 C ATOM 273 CD2 LEU A 17 82.693 0.373 -6.944 1.00 0.00 C ATOM 0 H LEU A 17 85.869 3.185 -6.251 1.00 0.00 H new ATOM 0 HA LEU A 17 84.936 1.040 -7.750 1.00 0.00 H new ATOM 0 HB2 LEU A 17 83.786 2.760 -6.100 1.00 0.00 H new ATOM 0 HB3 LEU A 17 83.475 3.691 -7.552 1.00 0.00 H new ATOM 0 HG LEU A 17 81.574 2.215 -7.030 1.00 0.00 H new ATOM 0 HD11 LEU A 17 81.374 1.066 -9.219 1.00 0.00 H new ATOM 0 HD12 LEU A 17 82.039 2.706 -9.402 1.00 0.00 H new ATOM 0 HD13 LEU A 17 83.118 1.294 -9.492 1.00 0.00 H new ATOM 0 HD21 LEU A 17 81.834 -0.257 -7.176 1.00 0.00 H new ATOM 0 HD22 LEU A 17 83.588 -0.052 -7.398 1.00 0.00 H new ATOM 0 HD23 LEU A 17 82.824 0.424 -5.863 1.00 0.00 H new ATOM 285 N THR A 18 85.322 3.810 -9.515 1.00 0.00 N ATOM 286 CA THR A 18 85.441 4.330 -10.874 1.00 0.00 C ATOM 287 C THR A 18 86.571 3.626 -11.628 1.00 0.00 C ATOM 288 O THR A 18 86.600 3.629 -12.860 1.00 0.00 O ATOM 289 CB THR A 18 85.702 5.838 -10.828 1.00 0.00 C ATOM 290 OG1 THR A 18 86.942 6.081 -10.178 1.00 0.00 O ATOM 291 CG2 THR A 18 84.573 6.533 -10.058 1.00 0.00 C ATOM 0 H THR A 18 85.479 4.503 -8.783 1.00 0.00 H new ATOM 0 HA THR A 18 84.507 4.140 -11.402 1.00 0.00 H new ATOM 0 HB THR A 18 85.739 6.232 -11.844 1.00 0.00 H new ATOM 0 HG1 THR A 18 87.112 7.046 -10.149 1.00 0.00 H new ATOM 0 HG21 THR A 18 84.761 7.606 -10.027 1.00 0.00 H new ATOM 0 HG22 THR A 18 83.623 6.346 -10.558 1.00 0.00 H new ATOM 0 HG23 THR A 18 84.532 6.142 -9.041 1.00 0.00 H new ATOM 299 N GLY A 19 87.489 3.015 -10.880 1.00 0.00 N ATOM 300 CA GLY A 19 88.610 2.294 -11.483 1.00 0.00 C ATOM 301 C GLY A 19 89.882 3.141 -11.510 1.00 0.00 C ATOM 302 O GLY A 19 90.565 3.212 -12.533 1.00 0.00 O ATOM 0 H GLY A 19 87.479 3.004 -9.860 1.00 0.00 H new ATOM 0 HA2 GLY A 19 88.796 1.377 -10.923 1.00 0.00 H new ATOM 0 HA3 GLY A 19 88.348 1.999 -12.499 1.00 0.00 H new ATOM 306 N LYS A 20 90.199 3.768 -10.380 1.00 0.00 N ATOM 307 CA LYS A 20 91.401 4.597 -10.280 1.00 0.00 C ATOM 308 C LYS A 20 92.471 3.880 -9.459 1.00 0.00 C ATOM 309 O LYS A 20 92.195 3.391 -8.364 1.00 0.00 O ATOM 310 CB LYS A 20 91.060 5.943 -9.626 1.00 0.00 C ATOM 311 CG LYS A 20 91.861 7.065 -10.296 1.00 0.00 C ATOM 312 CD LYS A 20 93.301 7.058 -9.772 1.00 0.00 C ATOM 313 CE LYS A 20 93.955 8.417 -10.036 1.00 0.00 C ATOM 314 NZ LYS A 20 95.374 8.216 -10.441 1.00 0.00 N ATOM 0 H LYS A 20 89.645 3.720 -9.525 1.00 0.00 H new ATOM 0 HA LYS A 20 91.786 4.775 -11.284 1.00 0.00 H new ATOM 0 HB2 LYS A 20 89.992 6.142 -9.718 1.00 0.00 H new ATOM 0 HB3 LYS A 20 91.288 5.908 -8.561 1.00 0.00 H new ATOM 0 HG2 LYS A 20 91.857 6.931 -11.378 1.00 0.00 H new ATOM 0 HG3 LYS A 20 91.395 8.029 -10.092 1.00 0.00 H new ATOM 0 HD2 LYS A 20 93.308 6.842 -8.704 1.00 0.00 H new ATOM 0 HD3 LYS A 20 93.872 6.268 -10.261 1.00 0.00 H new ATOM 0 HE2 LYS A 20 93.414 8.947 -10.820 1.00 0.00 H new ATOM 0 HE3 LYS A 20 93.906 9.036 -9.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 95.818 9.139 -10.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 95.887 7.727 -9.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 95.410 7.641 -11.307 1.00 0.00 H new ATOM 328 N THR A 21 93.691 3.823 -9.992 1.00 0.00 N ATOM 329 CA THR A 21 94.793 3.163 -9.297 1.00 0.00 C ATOM 330 C THR A 21 95.572 4.165 -8.446 1.00 0.00 C ATOM 331 O THR A 21 96.031 5.193 -8.947 1.00 0.00 O ATOM 332 CB THR A 21 95.736 2.510 -10.315 1.00 0.00 C ATOM 333 OG1 THR A 21 94.973 1.788 -11.271 1.00 0.00 O ATOM 334 CG2 THR A 21 96.691 1.555 -9.594 1.00 0.00 C ATOM 0 H THR A 21 93.939 4.223 -10.897 1.00 0.00 H new ATOM 0 HA THR A 21 94.377 2.397 -8.642 1.00 0.00 H new ATOM 0 HB THR A 21 96.314 3.283 -10.820 1.00 0.00 H new ATOM 0 HG1 THR A 21 95.575 1.372 -11.923 1.00 0.00 H new ATOM 0 HG21 THR A 21 97.360 1.092 -10.320 1.00 0.00 H new ATOM 0 HG22 THR A 21 97.278 2.111 -8.863 1.00 0.00 H new ATOM 0 HG23 THR A 21 96.116 0.781 -9.086 1.00 0.00 H new ATOM 342 N ILE A 22 95.711 3.856 -7.158 1.00 0.00 N ATOM 343 CA ILE A 22 96.432 4.732 -6.234 1.00 0.00 C ATOM 344 C ILE A 22 97.417 3.927 -5.387 1.00 0.00 C ATOM 345 O ILE A 22 97.070 2.875 -4.851 1.00 0.00 O ATOM 346 CB ILE A 22 95.441 5.454 -5.314 1.00 0.00 C ATOM 347 CG1 ILE A 22 94.419 6.228 -6.160 1.00 0.00 C ATOM 348 CG2 ILE A 22 96.196 6.433 -4.407 1.00 0.00 C ATOM 349 CD1 ILE A 22 93.164 6.503 -5.328 1.00 0.00 C ATOM 0 H ILE A 22 95.336 3.009 -6.731 1.00 0.00 H new ATOM 0 HA ILE A 22 96.986 5.465 -6.820 1.00 0.00 H new ATOM 0 HB ILE A 22 94.922 4.718 -4.701 1.00 0.00 H new ATOM 0 HG12 ILE A 22 94.853 7.167 -6.503 1.00 0.00 H new ATOM 0 HG13 ILE A 22 94.159 5.654 -7.049 1.00 0.00 H new ATOM 0 HG21 ILE A 22 95.488 6.944 -3.755 1.00 0.00 H new ATOM 0 HG22 ILE A 22 96.918 5.885 -3.801 1.00 0.00 H new ATOM 0 HG23 ILE A 22 96.720 7.167 -5.020 1.00 0.00 H new ATOM 0 HD11 ILE A 22 92.441 7.052 -5.931 1.00 0.00 H new ATOM 0 HD12 ILE A 22 92.726 5.558 -5.007 1.00 0.00 H new ATOM 0 HD13 ILE A 22 93.430 7.095 -4.452 1.00 0.00 H new ATOM 361 N THR A 23 98.645 4.433 -5.268 1.00 0.00 N ATOM 362 CA THR A 23 99.673 3.755 -4.477 1.00 0.00 C ATOM 363 C THR A 23 99.985 4.549 -3.208 1.00 0.00 C ATOM 364 O THR A 23 100.265 5.747 -3.269 1.00 0.00 O ATOM 365 CB THR A 23 100.953 3.587 -5.305 1.00 0.00 C ATOM 366 OG1 THR A 23 100.619 3.093 -6.596 1.00 0.00 O ATOM 367 CG2 THR A 23 101.890 2.599 -4.604 1.00 0.00 C ATOM 0 H THR A 23 98.951 5.302 -5.705 1.00 0.00 H new ATOM 0 HA THR A 23 99.295 2.772 -4.195 1.00 0.00 H new ATOM 0 HB THR A 23 101.453 4.551 -5.403 1.00 0.00 H new ATOM 0 HG1 THR A 23 101.436 2.987 -7.127 1.00 0.00 H new ATOM 0 HG21 THR A 23 102.800 2.480 -5.193 1.00 0.00 H new ATOM 0 HG22 THR A 23 102.145 2.979 -3.615 1.00 0.00 H new ATOM 0 HG23 THR A 23 101.393 1.634 -4.505 1.00 0.00 H new ATOM 375 N LEU A 24 99.939 3.868 -2.063 1.00 0.00 N ATOM 376 CA LEU A 24 100.226 4.510 -0.780 1.00 0.00 C ATOM 377 C LEU A 24 101.174 3.647 0.049 1.00 0.00 C ATOM 378 O LEU A 24 101.069 2.419 0.048 1.00 0.00 O ATOM 379 CB LEU A 24 98.930 4.766 0.007 1.00 0.00 C ATOM 380 CG LEU A 24 97.826 3.802 -0.446 1.00 0.00 C ATOM 381 CD1 LEU A 24 96.814 3.612 0.688 1.00 0.00 C ATOM 382 CD2 LEU A 24 97.108 4.377 -1.673 1.00 0.00 C ATOM 0 H LEU A 24 99.707 2.877 -1.997 1.00 0.00 H new ATOM 0 HA LEU A 24 100.704 5.468 -0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 24 99.115 4.641 1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 24 98.605 5.796 -0.141 1.00 0.00 H new ATOM 0 HG LEU A 24 98.273 2.842 -0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 24 96.030 2.927 0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 24 97.319 3.200 1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 24 96.371 4.574 0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 24 96.325 3.689 -1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 24 96.664 5.339 -1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 24 97.824 4.512 -2.484 1.00 0.00 H new ATOM 394 N GLU A 25 102.099 4.297 0.756 1.00 0.00 N ATOM 395 CA GLU A 25 103.063 3.577 1.586 1.00 0.00 C ATOM 396 C GLU A 25 102.481 3.288 2.966 1.00 0.00 C ATOM 397 O GLU A 25 102.549 4.123 3.869 1.00 0.00 O ATOM 398 CB GLU A 25 104.352 4.394 1.732 1.00 0.00 C ATOM 399 CG GLU A 25 105.304 4.070 0.574 1.00 0.00 C ATOM 400 CD GLU A 25 106.743 3.991 1.082 1.00 0.00 C ATOM 401 OE1 GLU A 25 107.107 2.955 1.616 1.00 0.00 O ATOM 402 OE2 GLU A 25 107.460 4.967 0.928 1.00 0.00 O ATOM 0 H GLU A 25 102.200 5.312 0.771 1.00 0.00 H new ATOM 0 HA GLU A 25 103.290 2.630 1.096 1.00 0.00 H new ATOM 0 HB2 GLU A 25 104.120 5.459 1.738 1.00 0.00 H new ATOM 0 HB3 GLU A 25 104.832 4.167 2.684 1.00 0.00 H new ATOM 0 HG2 GLU A 25 105.020 3.123 0.114 1.00 0.00 H new ATOM 0 HG3 GLU A 25 105.224 4.836 -0.197 1.00 0.00 H new ATOM 409 N VAL A 26 101.910 2.096 3.117 1.00 0.00 N ATOM 410 CA VAL A 26 101.318 1.696 4.392 1.00 0.00 C ATOM 411 C VAL A 26 101.842 0.328 4.823 1.00 0.00 C ATOM 412 O VAL A 26 102.346 -0.441 4.005 1.00 0.00 O ATOM 413 CB VAL A 26 99.785 1.663 4.286 1.00 0.00 C ATOM 414 CG1 VAL A 26 99.297 2.864 3.468 1.00 0.00 C ATOM 415 CG2 VAL A 26 99.337 0.368 3.601 1.00 0.00 C ATOM 0 H VAL A 26 101.844 1.395 2.379 1.00 0.00 H new ATOM 0 HA VAL A 26 101.603 2.431 5.145 1.00 0.00 H new ATOM 0 HB VAL A 26 99.360 1.707 5.289 1.00 0.00 H new ATOM 0 HG11 VAL A 26 98.210 2.837 3.395 1.00 0.00 H new ATOM 0 HG12 VAL A 26 99.605 3.787 3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 26 99.729 2.823 2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 26 98.249 0.352 3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 26 99.767 0.318 2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 26 99.675 -0.488 4.185 1.00 0.00 H new ATOM 425 N GLU A 27 101.715 0.040 6.115 1.00 0.00 N ATOM 426 CA GLU A 27 102.176 -1.236 6.660 1.00 0.00 C ATOM 427 C GLU A 27 101.237 -2.360 6.238 1.00 0.00 C ATOM 428 O GLU A 27 100.046 -2.136 6.035 1.00 0.00 O ATOM 429 CB GLU A 27 102.233 -1.163 8.190 1.00 0.00 C ATOM 430 CG GLU A 27 103.068 0.047 8.620 1.00 0.00 C ATOM 431 CD GLU A 27 102.814 0.358 10.092 1.00 0.00 C ATOM 432 OE1 GLU A 27 103.315 -0.376 10.928 1.00 0.00 O ATOM 433 OE2 GLU A 27 102.119 1.325 10.362 1.00 0.00 O ATOM 0 H GLU A 27 101.299 0.668 6.802 1.00 0.00 H new ATOM 0 HA GLU A 27 103.174 -1.440 6.271 1.00 0.00 H new ATOM 0 HB2 GLU A 27 101.225 -1.084 8.597 1.00 0.00 H new ATOM 0 HB3 GLU A 27 102.668 -2.078 8.591 1.00 0.00 H new ATOM 0 HG2 GLU A 27 104.127 -0.156 8.460 1.00 0.00 H new ATOM 0 HG3 GLU A 27 102.813 0.912 8.008 1.00 0.00 H new ATOM 440 N SER A 28 101.776 -3.569 6.108 1.00 0.00 N ATOM 441 CA SER A 28 100.966 -4.718 5.708 1.00 0.00 C ATOM 442 C SER A 28 99.939 -5.056 6.784 1.00 0.00 C ATOM 443 O SER A 28 99.021 -5.841 6.549 1.00 0.00 O ATOM 444 CB SER A 28 101.864 -5.928 5.452 1.00 0.00 C ATOM 445 OG SER A 28 102.846 -5.587 4.482 1.00 0.00 O ATOM 0 H SER A 28 102.761 -3.779 6.272 1.00 0.00 H new ATOM 0 HA SER A 28 100.436 -4.461 4.791 1.00 0.00 H new ATOM 0 HB2 SER A 28 102.345 -6.241 6.379 1.00 0.00 H new ATOM 0 HB3 SER A 28 101.268 -6.771 5.102 1.00 0.00 H new ATOM 0 HG SER A 28 103.425 -6.360 4.317 1.00 0.00 H new ATOM 451 N SER A 29 100.113 -4.475 7.967 1.00 0.00 N ATOM 452 CA SER A 29 99.212 -4.722 9.087 1.00 0.00 C ATOM 453 C SER A 29 98.550 -3.424 9.546 1.00 0.00 C ATOM 454 O SER A 29 97.805 -3.413 10.527 1.00 0.00 O ATOM 455 CB SER A 29 99.991 -5.339 10.253 1.00 0.00 C ATOM 456 OG SER A 29 100.870 -4.364 10.803 1.00 0.00 O ATOM 0 H SER A 29 100.873 -3.827 8.175 1.00 0.00 H new ATOM 0 HA SER A 29 98.436 -5.413 8.758 1.00 0.00 H new ATOM 0 HB2 SER A 29 99.301 -5.695 11.018 1.00 0.00 H new ATOM 0 HB3 SER A 29 100.559 -6.203 9.909 1.00 0.00 H new ATOM 0 HG SER A 29 101.368 -4.757 11.550 1.00 0.00 H new ATOM 462 N ASP A 30 98.833 -2.332 8.833 1.00 0.00 N ATOM 463 CA ASP A 30 98.265 -1.028 9.174 1.00 0.00 C ATOM 464 C ASP A 30 96.743 -1.107 9.275 1.00 0.00 C ATOM 465 O ASP A 30 96.140 -2.122 8.930 1.00 0.00 O ATOM 466 CB ASP A 30 98.652 0.006 8.107 1.00 0.00 C ATOM 467 CG ASP A 30 99.340 1.212 8.746 1.00 0.00 C ATOM 468 OD1 ASP A 30 98.924 1.612 9.822 1.00 0.00 O ATOM 469 OD2 ASP A 30 100.272 1.722 8.146 1.00 0.00 O ATOM 0 H ASP A 30 99.449 -2.325 8.020 1.00 0.00 H new ATOM 0 HA ASP A 30 98.665 -0.725 10.142 1.00 0.00 H new ATOM 0 HB2 ASP A 30 99.317 -0.452 7.374 1.00 0.00 H new ATOM 0 HB3 ASP A 30 97.761 0.332 7.570 1.00 0.00 H new ATOM 474 N THR A 31 96.130 -0.022 9.738 1.00 0.00 N ATOM 475 CA THR A 31 94.677 0.027 9.870 1.00 0.00 C ATOM 476 C THR A 31 94.065 0.759 8.682 1.00 0.00 C ATOM 477 O THR A 31 94.757 1.490 7.972 1.00 0.00 O ATOM 478 CB THR A 31 94.288 0.748 11.166 1.00 0.00 C ATOM 479 OG1 THR A 31 94.604 2.129 11.053 1.00 0.00 O ATOM 480 CG2 THR A 31 95.053 0.143 12.347 1.00 0.00 C ATOM 0 H THR A 31 96.612 0.829 10.026 1.00 0.00 H new ATOM 0 HA THR A 31 94.298 -0.995 9.898 1.00 0.00 H new ATOM 0 HB THR A 31 93.217 0.631 11.335 1.00 0.00 H new ATOM 0 HG1 THR A 31 94.354 2.590 11.881 1.00 0.00 H new ATOM 0 HG21 THR A 31 94.773 0.659 13.265 1.00 0.00 H new ATOM 0 HG22 THR A 31 94.807 -0.915 12.436 1.00 0.00 H new ATOM 0 HG23 THR A 31 96.125 0.254 12.181 1.00 0.00 H new ATOM 488 N ILE A 32 92.765 0.567 8.474 1.00 0.00 N ATOM 489 CA ILE A 32 92.080 1.230 7.372 1.00 0.00 C ATOM 490 C ILE A 32 92.246 2.742 7.493 1.00 0.00 C ATOM 491 O ILE A 32 92.408 3.436 6.492 1.00 0.00 O ATOM 492 CB ILE A 32 90.593 0.860 7.368 1.00 0.00 C ATOM 493 CG1 ILE A 32 90.442 -0.654 7.156 1.00 0.00 C ATOM 494 CG2 ILE A 32 89.873 1.607 6.241 1.00 0.00 C ATOM 495 CD1 ILE A 32 91.115 -1.073 5.843 1.00 0.00 C ATOM 0 H ILE A 32 92.173 -0.034 9.047 1.00 0.00 H new ATOM 0 HA ILE A 32 92.522 0.898 6.432 1.00 0.00 H new ATOM 0 HB ILE A 32 90.152 1.141 8.324 1.00 0.00 H new ATOM 0 HG12 ILE A 32 90.890 -1.192 7.991 1.00 0.00 H new ATOM 0 HG13 ILE A 32 89.386 -0.922 7.134 1.00 0.00 H new ATOM 0 HG21 ILE A 32 88.816 1.339 6.244 1.00 0.00 H new ATOM 0 HG22 ILE A 32 89.976 2.681 6.393 1.00 0.00 H new ATOM 0 HG23 ILE A 32 90.314 1.333 5.283 1.00 0.00 H new ATOM 0 HD11 ILE A 32 91.002 -2.148 5.703 1.00 0.00 H new ATOM 0 HD12 ILE A 32 90.647 -0.547 5.010 1.00 0.00 H new ATOM 0 HD13 ILE A 32 92.175 -0.822 5.881 1.00 0.00 H new ATOM 507 N ASP A 33 92.213 3.243 8.728 1.00 0.00 N ATOM 508 CA ASP A 33 92.374 4.674 8.970 1.00 0.00 C ATOM 509 C ASP A 33 93.631 5.187 8.272 1.00 0.00 C ATOM 510 O ASP A 33 93.600 6.208 7.585 1.00 0.00 O ATOM 511 CB ASP A 33 92.475 4.943 10.474 1.00 0.00 C ATOM 512 CG ASP A 33 91.810 6.275 10.813 1.00 0.00 C ATOM 513 OD1 ASP A 33 92.434 7.299 10.592 1.00 0.00 O ATOM 514 OD2 ASP A 33 90.686 6.249 11.287 1.00 0.00 O ATOM 0 H ASP A 33 92.077 2.683 9.570 1.00 0.00 H new ATOM 0 HA ASP A 33 91.505 5.196 8.569 1.00 0.00 H new ATOM 0 HB2 ASP A 33 91.996 4.136 11.029 1.00 0.00 H new ATOM 0 HB3 ASP A 33 93.521 4.962 10.779 1.00 0.00 H new ATOM 519 N ASN A 34 94.733 4.456 8.445 1.00 0.00 N ATOM 520 CA ASN A 34 95.997 4.825 7.816 1.00 0.00 C ATOM 521 C ASN A 34 95.848 4.780 6.301 1.00 0.00 C ATOM 522 O ASN A 34 96.284 5.686 5.592 1.00 0.00 O ATOM 523 CB ASN A 34 97.098 3.856 8.263 1.00 0.00 C ATOM 524 CG ASN A 34 97.525 4.184 9.689 1.00 0.00 C ATOM 525 OD1 ASN A 34 98.642 4.653 9.912 1.00 0.00 O ATOM 526 ND2 ASN A 34 96.699 3.962 10.674 1.00 0.00 N ATOM 0 H ASN A 34 94.774 3.610 9.013 1.00 0.00 H new ATOM 0 HA ASN A 34 96.269 5.837 8.117 1.00 0.00 H new ATOM 0 HB2 ASN A 34 96.736 2.829 8.209 1.00 0.00 H new ATOM 0 HB3 ASN A 34 97.954 3.928 7.591 1.00 0.00 H new ATOM 0 HD21 ASN A 34 96.978 4.177 11.631 1.00 0.00 H new ATOM 0 HD22 ASN A 34 95.775 3.574 10.487 1.00 0.00 H new ATOM 533 N VAL A 35 95.204 3.720 5.823 1.00 0.00 N ATOM 534 CA VAL A 35 94.968 3.555 4.393 1.00 0.00 C ATOM 535 C VAL A 35 94.154 4.735 3.871 1.00 0.00 C ATOM 536 O VAL A 35 94.478 5.325 2.837 1.00 0.00 O ATOM 537 CB VAL A 35 94.215 2.244 4.134 1.00 0.00 C ATOM 538 CG1 VAL A 35 93.889 2.120 2.643 1.00 0.00 C ATOM 539 CG2 VAL A 35 95.087 1.060 4.564 1.00 0.00 C ATOM 0 H VAL A 35 94.837 2.965 6.402 1.00 0.00 H new ATOM 0 HA VAL A 35 95.925 3.520 3.872 1.00 0.00 H new ATOM 0 HB VAL A 35 93.288 2.243 4.708 1.00 0.00 H new ATOM 0 HG11 VAL A 35 93.354 1.187 2.464 1.00 0.00 H new ATOM 0 HG12 VAL A 35 93.266 2.960 2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 35 94.814 2.124 2.067 1.00 0.00 H new ATOM 0 HG21 VAL A 35 94.552 0.128 4.380 1.00 0.00 H new ATOM 0 HG22 VAL A 35 96.015 1.065 3.992 1.00 0.00 H new ATOM 0 HG23 VAL A 35 95.316 1.143 5.627 1.00 0.00 H new ATOM 549 N LYS A 36 93.102 5.083 4.610 1.00 0.00 N ATOM 550 CA LYS A 36 92.245 6.199 4.235 1.00 0.00 C ATOM 551 C LYS A 36 93.045 7.499 4.241 1.00 0.00 C ATOM 552 O LYS A 36 93.143 8.176 3.222 1.00 0.00 O ATOM 553 CB LYS A 36 91.067 6.303 5.207 1.00 0.00 C ATOM 554 CG LYS A 36 89.968 5.322 4.790 1.00 0.00 C ATOM 555 CD LYS A 36 88.852 5.328 5.839 1.00 0.00 C ATOM 556 CE LYS A 36 87.682 4.467 5.352 1.00 0.00 C ATOM 557 NZ LYS A 36 86.405 5.024 5.878 1.00 0.00 N ATOM 0 H LYS A 36 92.826 4.608 5.469 1.00 0.00 H new ATOM 0 HA LYS A 36 91.860 6.027 3.230 1.00 0.00 H new ATOM 0 HB2 LYS A 36 91.399 6.083 6.221 1.00 0.00 H new ATOM 0 HB3 LYS A 36 90.677 7.321 5.213 1.00 0.00 H new ATOM 0 HG2 LYS A 36 89.567 5.601 3.816 1.00 0.00 H new ATOM 0 HG3 LYS A 36 90.381 4.318 4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 36 89.229 4.944 6.787 1.00 0.00 H new ATOM 0 HD3 LYS A 36 88.515 6.349 6.020 1.00 0.00 H new ATOM 0 HE2 LYS A 36 87.661 4.446 4.262 1.00 0.00 H new ATOM 0 HE3 LYS A 36 87.809 3.438 5.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 85.773 4.245 6.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 86.601 5.618 6.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 85.948 5.599 5.142 1.00 0.00 H new ATOM 571 N SER A 37 93.614 7.844 5.394 1.00 0.00 N ATOM 572 CA SER A 37 94.404 9.069 5.505 1.00 0.00 C ATOM 573 C SER A 37 95.405 9.153 4.355 1.00 0.00 C ATOM 574 O SER A 37 95.553 10.198 3.719 1.00 0.00 O ATOM 575 CB SER A 37 95.139 9.105 6.847 1.00 0.00 C ATOM 576 OG SER A 37 95.946 7.941 6.976 1.00 0.00 O ATOM 0 H SER A 37 93.545 7.301 6.255 1.00 0.00 H new ATOM 0 HA SER A 37 93.732 9.926 5.451 1.00 0.00 H new ATOM 0 HB2 SER A 37 95.759 9.999 6.911 1.00 0.00 H new ATOM 0 HB3 SER A 37 94.421 9.156 7.666 1.00 0.00 H new ATOM 0 HG SER A 37 95.640 7.259 6.342 1.00 0.00 H new ATOM 582 N LYS A 38 96.081 8.038 4.085 1.00 0.00 N ATOM 583 CA LYS A 38 97.053 7.993 2.997 1.00 0.00 C ATOM 584 C LYS A 38 96.378 8.376 1.683 1.00 0.00 C ATOM 585 O LYS A 38 97.011 8.938 0.789 1.00 0.00 O ATOM 586 CB LYS A 38 97.665 6.591 2.879 1.00 0.00 C ATOM 587 CG LYS A 38 99.128 6.618 3.347 1.00 0.00 C ATOM 588 CD LYS A 38 99.230 6.108 4.791 1.00 0.00 C ATOM 589 CE LYS A 38 98.852 7.226 5.767 1.00 0.00 C ATOM 590 NZ LYS A 38 98.563 6.639 7.107 1.00 0.00 N ATOM 0 H LYS A 38 95.975 7.163 4.599 1.00 0.00 H new ATOM 0 HA LYS A 38 97.851 8.704 3.214 1.00 0.00 H new ATOM 0 HB2 LYS A 38 97.094 5.884 3.481 1.00 0.00 H new ATOM 0 HB3 LYS A 38 97.611 6.247 1.846 1.00 0.00 H new ATOM 0 HG2 LYS A 38 99.739 5.999 2.691 1.00 0.00 H new ATOM 0 HG3 LYS A 38 99.520 7.633 3.283 1.00 0.00 H new ATOM 0 HD2 LYS A 38 98.569 5.252 4.931 1.00 0.00 H new ATOM 0 HD3 LYS A 38 100.244 5.764 4.994 1.00 0.00 H new ATOM 0 HE2 LYS A 38 99.665 7.948 5.842 1.00 0.00 H new ATOM 0 HE3 LYS A 38 97.979 7.765 5.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 97.686 7.051 7.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 98.452 5.609 7.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 99.350 6.847 7.754 1.00 0.00 H new ATOM 604 N ILE A 39 95.083 8.074 1.582 1.00 0.00 N ATOM 605 CA ILE A 39 94.320 8.397 0.380 1.00 0.00 C ATOM 606 C ILE A 39 94.209 9.915 0.207 1.00 0.00 C ATOM 607 O ILE A 39 94.450 10.436 -0.881 1.00 0.00 O ATOM 608 CB ILE A 39 92.920 7.744 0.450 1.00 0.00 C ATOM 609 CG1 ILE A 39 92.615 7.037 -0.879 1.00 0.00 C ATOM 610 CG2 ILE A 39 91.831 8.793 0.729 1.00 0.00 C ATOM 611 CD1 ILE A 39 92.445 8.069 -1.998 1.00 0.00 C ATOM 0 H ILE A 39 94.545 7.609 2.314 1.00 0.00 H new ATOM 0 HA ILE A 39 94.843 7.998 -0.489 1.00 0.00 H new ATOM 0 HB ILE A 39 92.922 7.022 1.267 1.00 0.00 H new ATOM 0 HG12 ILE A 39 93.423 6.349 -1.128 1.00 0.00 H new ATOM 0 HG13 ILE A 39 91.708 6.441 -0.783 1.00 0.00 H new ATOM 0 HG21 ILE A 39 90.858 8.304 0.773 1.00 0.00 H new ATOM 0 HG22 ILE A 39 92.034 9.284 1.681 1.00 0.00 H new ATOM 0 HG23 ILE A 39 91.829 9.536 -0.069 1.00 0.00 H new ATOM 0 HD11 ILE A 39 92.229 7.557 -2.936 1.00 0.00 H new ATOM 0 HD12 ILE A 39 91.621 8.739 -1.753 1.00 0.00 H new ATOM 0 HD13 ILE A 39 93.364 8.646 -2.103 1.00 0.00 H new ATOM 623 N GLN A 40 93.838 10.621 1.280 1.00 0.00 N ATOM 624 CA GLN A 40 93.697 12.075 1.211 1.00 0.00 C ATOM 625 C GLN A 40 95.050 12.754 1.002 1.00 0.00 C ATOM 626 O GLN A 40 95.111 13.901 0.572 1.00 0.00 O ATOM 627 CB GLN A 40 93.027 12.608 2.483 1.00 0.00 C ATOM 628 CG GLN A 40 94.067 12.839 3.586 1.00 0.00 C ATOM 629 CD GLN A 40 94.389 14.326 3.701 1.00 0.00 C ATOM 630 OE1 GLN A 40 95.468 14.761 3.298 1.00 0.00 O ATOM 631 NE2 GLN A 40 93.511 15.135 4.228 1.00 0.00 N ATOM 0 H GLN A 40 93.633 10.215 2.193 1.00 0.00 H new ATOM 0 HA GLN A 40 93.066 12.309 0.354 1.00 0.00 H new ATOM 0 HB2 GLN A 40 92.509 13.541 2.263 1.00 0.00 H new ATOM 0 HB3 GLN A 40 92.274 11.899 2.828 1.00 0.00 H new ATOM 0 HG2 GLN A 40 93.688 12.467 4.538 1.00 0.00 H new ATOM 0 HG3 GLN A 40 94.975 12.279 3.363 1.00 0.00 H new ATOM 0 HE21 GLN A 40 92.618 14.772 4.561 1.00 0.00 H new ATOM 0 HE22 GLN A 40 93.718 16.131 4.307 1.00 0.00 H new ATOM 640 N ASP A 41 96.132 12.040 1.288 1.00 0.00 N ATOM 641 CA ASP A 41 97.462 12.609 1.092 1.00 0.00 C ATOM 642 C ASP A 41 97.803 12.580 -0.393 1.00 0.00 C ATOM 643 O ASP A 41 98.434 13.496 -0.921 1.00 0.00 O ATOM 644 CB ASP A 41 98.503 11.807 1.883 1.00 0.00 C ATOM 645 CG ASP A 41 99.914 12.189 1.438 1.00 0.00 C ATOM 646 OD1 ASP A 41 100.432 13.167 1.951 1.00 0.00 O ATOM 647 OD2 ASP A 41 100.454 11.498 0.589 1.00 0.00 O ATOM 0 H ASP A 41 96.119 11.086 1.649 1.00 0.00 H new ATOM 0 HA ASP A 41 97.472 13.638 1.450 1.00 0.00 H new ATOM 0 HB2 ASP A 41 98.386 11.998 2.950 1.00 0.00 H new ATOM 0 HB3 ASP A 41 98.342 10.740 1.731 1.00 0.00 H new ATOM 652 N LYS A 42 97.390 11.500 -1.045 1.00 0.00 N ATOM 653 CA LYS A 42 97.657 11.313 -2.466 1.00 0.00 C ATOM 654 C LYS A 42 96.564 11.933 -3.342 1.00 0.00 C ATOM 655 O LYS A 42 96.859 12.449 -4.422 1.00 0.00 O ATOM 656 CB LYS A 42 97.776 9.816 -2.772 1.00 0.00 C ATOM 657 CG LYS A 42 98.967 9.227 -2.007 1.00 0.00 C ATOM 658 CD LYS A 42 100.260 9.463 -2.795 1.00 0.00 C ATOM 659 CE LYS A 42 101.460 9.057 -1.936 1.00 0.00 C ATOM 660 NZ LYS A 42 102.705 9.127 -2.756 1.00 0.00 N ATOM 0 H LYS A 42 96.868 10.739 -0.611 1.00 0.00 H new ATOM 0 HA LYS A 42 98.593 11.820 -2.698 1.00 0.00 H new ATOM 0 HB2 LYS A 42 96.858 9.302 -2.487 1.00 0.00 H new ATOM 0 HB3 LYS A 42 97.907 9.663 -3.843 1.00 0.00 H new ATOM 0 HG2 LYS A 42 99.042 9.688 -1.022 1.00 0.00 H new ATOM 0 HG3 LYS A 42 98.817 8.159 -1.849 1.00 0.00 H new ATOM 0 HD2 LYS A 42 100.247 8.884 -3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 42 100.340 10.513 -3.078 1.00 0.00 H new ATOM 0 HE2 LYS A 42 101.543 9.717 -1.073 1.00 0.00 H new ATOM 0 HE3 LYS A 42 101.321 8.046 -1.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 103.521 8.851 -2.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 102.624 8.480 -3.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 102.839 10.099 -3.101 1.00 0.00 H new ATOM 674 N GLU A 43 95.305 11.862 -2.899 1.00 0.00 N ATOM 675 CA GLU A 43 94.197 12.406 -3.694 1.00 0.00 C ATOM 676 C GLU A 43 93.502 13.584 -3.004 1.00 0.00 C ATOM 677 O GLU A 43 92.481 14.067 -3.495 1.00 0.00 O ATOM 678 CB GLU A 43 93.165 11.306 -3.971 1.00 0.00 C ATOM 679 CG GLU A 43 93.599 10.485 -5.191 1.00 0.00 C ATOM 680 CD GLU A 43 94.926 9.788 -4.911 1.00 0.00 C ATOM 681 OE1 GLU A 43 95.009 9.099 -3.909 1.00 0.00 O ATOM 682 OE2 GLU A 43 95.842 9.955 -5.700 1.00 0.00 O ATOM 0 H GLU A 43 95.029 11.442 -2.011 1.00 0.00 H new ATOM 0 HA GLU A 43 94.625 12.773 -4.627 1.00 0.00 H new ATOM 0 HB2 GLU A 43 93.068 10.658 -3.100 1.00 0.00 H new ATOM 0 HB3 GLU A 43 92.185 11.750 -4.149 1.00 0.00 H new ATOM 0 HG2 GLU A 43 92.835 9.746 -5.431 1.00 0.00 H new ATOM 0 HG3 GLU A 43 93.698 11.136 -6.060 1.00 0.00 H new ATOM 689 N GLY A 44 94.069 14.067 -1.898 1.00 0.00 N ATOM 690 CA GLY A 44 93.489 15.214 -1.191 1.00 0.00 C ATOM 691 C GLY A 44 92.130 14.878 -0.574 1.00 0.00 C ATOM 692 O GLY A 44 91.897 15.135 0.608 1.00 0.00 O ATOM 0 H GLY A 44 94.917 13.690 -1.475 1.00 0.00 H new ATOM 0 HA2 GLY A 44 94.173 15.540 -0.407 1.00 0.00 H new ATOM 0 HA3 GLY A 44 93.377 16.048 -1.884 1.00 0.00 H new ATOM 696 N ILE A 45 91.236 14.322 -1.391 1.00 0.00 N ATOM 697 CA ILE A 45 89.889 13.960 -0.948 1.00 0.00 C ATOM 698 C ILE A 45 89.907 13.399 0.478 1.00 0.00 C ATOM 699 O ILE A 45 90.665 12.476 0.774 1.00 0.00 O ATOM 700 CB ILE A 45 89.296 12.920 -1.905 1.00 0.00 C ATOM 701 CG1 ILE A 45 89.149 13.535 -3.303 1.00 0.00 C ATOM 702 CG2 ILE A 45 87.920 12.478 -1.397 1.00 0.00 C ATOM 703 CD1 ILE A 45 88.916 12.427 -4.333 1.00 0.00 C ATOM 0 H ILE A 45 91.422 14.111 -2.371 1.00 0.00 H new ATOM 0 HA ILE A 45 89.274 14.860 -0.952 1.00 0.00 H new ATOM 0 HB ILE A 45 89.959 12.056 -1.954 1.00 0.00 H new ATOM 0 HG12 ILE A 45 88.316 14.238 -3.316 1.00 0.00 H new ATOM 0 HG13 ILE A 45 90.046 14.099 -3.559 1.00 0.00 H new ATOM 0 HG21 ILE A 45 87.501 11.739 -2.079 1.00 0.00 H new ATOM 0 HG22 ILE A 45 88.022 12.039 -0.405 1.00 0.00 H new ATOM 0 HG23 ILE A 45 87.257 13.341 -1.345 1.00 0.00 H new ATOM 0 HD11 ILE A 45 88.812 12.868 -5.324 1.00 0.00 H new ATOM 0 HD12 ILE A 45 89.763 11.741 -4.328 1.00 0.00 H new ATOM 0 HD13 ILE A 45 88.006 11.882 -4.081 1.00 0.00 H new ATOM 715 N PRO A 46 89.094 13.943 1.357 1.00 0.00 N ATOM 716 CA PRO A 46 89.016 13.497 2.778 1.00 0.00 C ATOM 717 C PRO A 46 88.990 11.973 2.914 1.00 0.00 C ATOM 718 O PRO A 46 88.370 11.281 2.106 1.00 0.00 O ATOM 719 CB PRO A 46 87.706 14.106 3.305 1.00 0.00 C ATOM 720 CG PRO A 46 87.087 14.862 2.168 1.00 0.00 C ATOM 721 CD PRO A 46 88.159 15.043 1.097 1.00 0.00 C ATOM 0 HA PRO A 46 89.893 13.820 3.338 1.00 0.00 H new ATOM 0 HB2 PRO A 46 87.033 13.326 3.661 1.00 0.00 H new ATOM 0 HB3 PRO A 46 87.900 14.768 4.148 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.232 14.318 1.766 1.00 0.00 H new ATOM 0 HG3 PRO A 46 86.718 15.830 2.508 1.00 0.00 H new ATOM 0 HD2 PRO A 46 87.738 14.983 0.094 1.00 0.00 H new ATOM 0 HD3 PRO A 46 88.648 16.013 1.179 1.00 0.00 H new ATOM 729 N PRO A 47 89.643 11.448 3.923 1.00 0.00 N ATOM 730 CA PRO A 47 89.691 9.980 4.173 1.00 0.00 C ATOM 731 C PRO A 47 88.338 9.434 4.627 1.00 0.00 C ATOM 732 O PRO A 47 87.929 8.344 4.223 1.00 0.00 O ATOM 733 CB PRO A 47 90.742 9.800 5.277 1.00 0.00 C ATOM 734 CG PRO A 47 91.267 11.158 5.626 1.00 0.00 C ATOM 735 CD PRO A 47 90.400 12.201 4.928 1.00 0.00 C ATOM 0 HA PRO A 47 89.941 9.433 3.264 1.00 0.00 H new ATOM 0 HB2 PRO A 47 90.301 9.323 6.152 1.00 0.00 H new ATOM 0 HB3 PRO A 47 91.550 9.153 4.935 1.00 0.00 H new ATOM 0 HG2 PRO A 47 91.246 11.307 6.705 1.00 0.00 H new ATOM 0 HG3 PRO A 47 92.306 11.256 5.311 1.00 0.00 H new ATOM 0 HD2 PRO A 47 89.734 12.698 5.634 1.00 0.00 H new ATOM 0 HD3 PRO A 47 91.010 12.976 4.465 1.00 0.00 H new ATOM 743 N ASP A 48 87.654 10.202 5.470 1.00 0.00 N ATOM 744 CA ASP A 48 86.348 9.798 5.983 1.00 0.00 C ATOM 745 C ASP A 48 85.311 9.777 4.863 1.00 0.00 C ATOM 746 O ASP A 48 84.399 8.950 4.866 1.00 0.00 O ATOM 747 CB ASP A 48 85.901 10.765 7.083 1.00 0.00 C ATOM 748 CG ASP A 48 84.539 10.347 7.632 1.00 0.00 C ATOM 749 OD1 ASP A 48 84.474 9.315 8.279 1.00 0.00 O ATOM 750 OD2 ASP A 48 83.582 11.065 7.395 1.00 0.00 O ATOM 0 H ASP A 48 87.981 11.106 5.812 1.00 0.00 H new ATOM 0 HA ASP A 48 86.434 8.793 6.395 1.00 0.00 H new ATOM 0 HB2 ASP A 48 86.637 10.778 7.887 1.00 0.00 H new ATOM 0 HB3 ASP A 48 85.845 11.778 6.686 1.00 0.00 H new ATOM 755 N GLN A 49 85.462 10.693 3.910 1.00 0.00 N ATOM 756 CA GLN A 49 84.534 10.775 2.786 1.00 0.00 C ATOM 757 C GLN A 49 84.618 9.519 1.919 1.00 0.00 C ATOM 758 O GLN A 49 83.781 9.305 1.043 1.00 0.00 O ATOM 759 CB GLN A 49 84.844 12.012 1.938 1.00 0.00 C ATOM 760 CG GLN A 49 83.656 12.321 1.019 1.00 0.00 C ATOM 761 CD GLN A 49 84.107 12.331 -0.438 1.00 0.00 C ATOM 762 OE1 GLN A 49 83.617 11.452 -1.269 1.00 0.00 O flip ATOM 763 NE2 GLN A 49 84.924 13.163 -0.832 1.00 0.00 N flip ATOM 0 H GLN A 49 86.212 11.384 3.893 1.00 0.00 H new ATOM 0 HA GLN A 49 83.522 10.854 3.184 1.00 0.00 H new ATOM 0 HB2 GLN A 49 85.048 12.866 2.584 1.00 0.00 H new ATOM 0 HB3 GLN A 49 85.741 11.841 1.343 1.00 0.00 H new ATOM 0 HG2 GLN A 49 82.874 11.575 1.160 1.00 0.00 H new ATOM 0 HG3 GLN A 49 83.226 13.288 1.281 1.00 0.00 H new ATOM 0 HE21 GLN A 49 85.307 13.850 -0.182 1.00 0.00 H new ATOM 0 HE22 GLN A 49 85.219 13.166 -1.809 1.00 0.00 H new ATOM 772 N GLN A 50 85.630 8.692 2.173 1.00 0.00 N ATOM 773 CA GLN A 50 85.808 7.458 1.412 1.00 0.00 C ATOM 774 C GLN A 50 85.661 6.240 2.318 1.00 0.00 C ATOM 775 O GLN A 50 85.764 6.345 3.542 1.00 0.00 O ATOM 776 CB GLN A 50 87.193 7.438 0.755 1.00 0.00 C ATOM 777 CG GLN A 50 87.430 8.754 0.007 1.00 0.00 C ATOM 778 CD GLN A 50 88.607 8.613 -0.958 1.00 0.00 C ATOM 779 OE1 GLN A 50 89.355 7.543 -0.920 1.00 0.00 O flip ATOM 780 NE2 GLN A 50 88.853 9.506 -1.770 1.00 0.00 N flip ATOM 0 H GLN A 50 86.334 8.852 2.894 1.00 0.00 H new ATOM 0 HA GLN A 50 85.038 7.421 0.641 1.00 0.00 H new ATOM 0 HB2 GLN A 50 87.963 7.296 1.513 1.00 0.00 H new ATOM 0 HB3 GLN A 50 87.266 6.598 0.064 1.00 0.00 H new ATOM 0 HG2 GLN A 50 86.532 9.034 -0.543 1.00 0.00 H new ATOM 0 HG3 GLN A 50 87.630 9.554 0.720 1.00 0.00 H new ATOM 0 HE21 GLN A 50 88.270 10.342 -1.801 1.00 0.00 H new ATOM 0 HE22 GLN A 50 89.640 9.409 -2.412 1.00 0.00 H new ATOM 789 N ARG A 51 85.429 5.084 1.700 1.00 0.00 N ATOM 790 CA ARG A 51 85.278 3.831 2.439 1.00 0.00 C ATOM 791 C ARG A 51 86.032 2.721 1.719 1.00 0.00 C ATOM 792 O ARG A 51 86.361 2.857 0.543 1.00 0.00 O ATOM 793 CB ARG A 51 83.796 3.452 2.556 1.00 0.00 C ATOM 794 CG ARG A 51 82.962 4.709 2.822 1.00 0.00 C ATOM 795 CD ARG A 51 81.582 4.315 3.356 1.00 0.00 C ATOM 796 NE ARG A 51 81.105 5.308 4.313 1.00 0.00 N ATOM 797 CZ ARG A 51 81.534 5.315 5.571 1.00 0.00 C ATOM 798 NH1 ARG A 51 80.973 4.538 6.456 1.00 0.00 N ATOM 799 NH2 ARG A 51 82.514 6.102 5.922 1.00 0.00 N ATOM 0 H ARG A 51 85.341 4.988 0.688 1.00 0.00 H new ATOM 0 HA ARG A 51 85.686 3.963 3.441 1.00 0.00 H new ATOM 0 HB2 ARG A 51 83.461 2.969 1.638 1.00 0.00 H new ATOM 0 HB3 ARG A 51 83.657 2.734 3.364 1.00 0.00 H new ATOM 0 HG2 ARG A 51 83.472 5.348 3.543 1.00 0.00 H new ATOM 0 HG3 ARG A 51 82.855 5.286 1.904 1.00 0.00 H new ATOM 0 HD2 ARG A 51 80.876 4.228 2.530 1.00 0.00 H new ATOM 0 HD3 ARG A 51 81.635 3.337 3.833 1.00 0.00 H new ATOM 0 HE ARG A 51 80.430 6.010 4.011 1.00 0.00 H new ATOM 0 HH11 ARG A 51 80.205 3.925 6.183 1.00 0.00 H new ATOM 0 HH12 ARG A 51 81.302 4.543 7.421 1.00 0.00 H new ATOM 0 HH21 ARG A 51 82.951 6.712 5.231 1.00 0.00 H new ATOM 0 HH22 ARG A 51 82.843 6.107 6.887 1.00 0.00 H new ATOM 813 N LEU A 52 86.303 1.624 2.421 1.00 0.00 N ATOM 814 CA LEU A 52 87.022 0.506 1.818 1.00 0.00 C ATOM 815 C LEU A 52 86.186 -0.766 1.899 1.00 0.00 C ATOM 816 O LEU A 52 85.954 -1.303 2.981 1.00 0.00 O ATOM 817 CB LEU A 52 88.364 0.301 2.532 1.00 0.00 C ATOM 818 CG LEU A 52 89.516 0.531 1.544 1.00 0.00 C ATOM 819 CD1 LEU A 52 90.694 1.187 2.268 1.00 0.00 C ATOM 820 CD2 LEU A 52 89.964 -0.812 0.958 1.00 0.00 C ATOM 0 H LEU A 52 86.039 1.486 3.397 1.00 0.00 H new ATOM 0 HA LEU A 52 87.209 0.734 0.769 1.00 0.00 H new ATOM 0 HB2 LEU A 52 88.449 0.991 3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 52 88.419 -0.708 2.941 1.00 0.00 H new ATOM 0 HG LEU A 52 89.175 1.185 0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 52 91.510 1.349 1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 52 90.378 2.144 2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 52 91.034 0.536 3.074 1.00 0.00 H new ATOM 0 HD21 LEU A 52 90.782 -0.648 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 52 90.301 -1.466 1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 52 89.128 -1.279 0.438 1.00 0.00 H new ATOM 832 N ILE A 53 85.740 -1.238 0.739 1.00 0.00 N ATOM 833 CA ILE A 53 84.928 -2.449 0.664 1.00 0.00 C ATOM 834 C ILE A 53 85.699 -3.526 -0.088 1.00 0.00 C ATOM 835 O ILE A 53 86.129 -3.309 -1.220 1.00 0.00 O ATOM 836 CB ILE A 53 83.600 -2.143 -0.052 1.00 0.00 C ATOM 837 CG1 ILE A 53 82.556 -1.676 0.972 1.00 0.00 C ATOM 838 CG2 ILE A 53 83.076 -3.400 -0.760 1.00 0.00 C ATOM 839 CD1 ILE A 53 83.074 -0.455 1.741 1.00 0.00 C ATOM 0 H ILE A 53 85.927 -0.800 -0.163 1.00 0.00 H new ATOM 0 HA ILE A 53 84.707 -2.805 1.670 1.00 0.00 H new ATOM 0 HB ILE A 53 83.774 -1.359 -0.789 1.00 0.00 H new ATOM 0 HG12 ILE A 53 81.625 -1.426 0.464 1.00 0.00 H new ATOM 0 HG13 ILE A 53 82.332 -2.485 1.668 1.00 0.00 H new ATOM 0 HG21 ILE A 53 82.136 -3.170 -1.262 1.00 0.00 H new ATOM 0 HG22 ILE A 53 83.808 -3.735 -1.495 1.00 0.00 H new ATOM 0 HG23 ILE A 53 82.911 -4.189 -0.026 1.00 0.00 H new ATOM 0 HD11 ILE A 53 82.323 -0.135 2.464 1.00 0.00 H new ATOM 0 HD12 ILE A 53 83.993 -0.718 2.265 1.00 0.00 H new ATOM 0 HD13 ILE A 53 83.274 0.357 1.042 1.00 0.00 H new ATOM 851 N TRP A 54 85.884 -4.679 0.549 1.00 0.00 N ATOM 852 CA TRP A 54 86.622 -5.769 -0.078 1.00 0.00 C ATOM 853 C TRP A 54 86.138 -7.123 0.437 1.00 0.00 C ATOM 854 O TRP A 54 85.884 -7.289 1.630 1.00 0.00 O ATOM 855 CB TRP A 54 88.117 -5.604 0.215 1.00 0.00 C ATOM 856 CG TRP A 54 88.893 -6.693 -0.454 1.00 0.00 C ATOM 857 CD1 TRP A 54 89.167 -6.755 -1.778 1.00 0.00 C ATOM 858 CD2 TRP A 54 89.501 -7.872 0.146 1.00 0.00 C ATOM 859 NE1 TRP A 54 89.906 -7.897 -2.027 1.00 0.00 N ATOM 860 CE2 TRP A 54 90.137 -8.620 -0.873 1.00 0.00 C ATOM 861 CE3 TRP A 54 89.561 -8.361 1.464 1.00 0.00 C ATOM 862 CZ2 TRP A 54 90.809 -9.810 -0.594 1.00 0.00 C ATOM 863 CZ3 TRP A 54 90.236 -9.558 1.747 1.00 0.00 C ATOM 864 CH2 TRP A 54 90.859 -10.281 0.720 1.00 0.00 C ATOM 0 H TRP A 54 85.538 -4.881 1.487 1.00 0.00 H new ATOM 0 HA TRP A 54 86.451 -5.734 -1.154 1.00 0.00 H new ATOM 0 HB2 TRP A 54 88.460 -4.632 -0.139 1.00 0.00 H new ATOM 0 HB3 TRP A 54 88.290 -5.631 1.291 1.00 0.00 H new ATOM 0 HD1 TRP A 54 88.859 -6.031 -2.518 1.00 0.00 H new ATOM 0 HE1 TRP A 54 90.240 -8.172 -2.951 1.00 0.00 H new ATOM 0 HE3 TRP A 54 89.085 -7.812 2.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 91.287 -10.363 -1.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 90.276 -9.925 2.762 1.00 0.00 H new ATOM 0 HH2 TRP A 54 91.377 -11.202 0.945 1.00 0.00 H new ATOM 875 N ALA A 55 86.021 -8.080 -0.479 1.00 0.00 N ATOM 876 CA ALA A 55 85.576 -9.431 -0.137 1.00 0.00 C ATOM 877 C ALA A 55 84.157 -9.425 0.439 1.00 0.00 C ATOM 878 O ALA A 55 83.845 -10.184 1.359 1.00 0.00 O ATOM 879 CB ALA A 55 86.543 -10.066 0.869 1.00 0.00 C ATOM 0 H ALA A 55 86.229 -7.946 -1.469 1.00 0.00 H new ATOM 0 HA ALA A 55 85.566 -10.020 -1.054 1.00 0.00 H new ATOM 0 HB1 ALA A 55 86.202 -11.071 1.117 1.00 0.00 H new ATOM 0 HB2 ALA A 55 87.540 -10.118 0.432 1.00 0.00 H new ATOM 0 HB3 ALA A 55 86.575 -9.461 1.775 1.00 0.00 H new ATOM 885 N GLY A 56 83.299 -8.584 -0.130 1.00 0.00 N ATOM 886 CA GLY A 56 81.903 -8.498 0.301 1.00 0.00 C ATOM 887 C GLY A 56 81.767 -7.948 1.717 1.00 0.00 C ATOM 888 O GLY A 56 80.653 -7.749 2.203 1.00 0.00 O ATOM 0 H GLY A 56 83.544 -7.951 -0.891 1.00 0.00 H new ATOM 0 HA2 GLY A 56 81.351 -7.860 -0.389 1.00 0.00 H new ATOM 0 HA3 GLY A 56 81.449 -9.488 0.253 1.00 0.00 H new ATOM 892 N LYS A 57 82.895 -7.708 2.380 1.00 0.00 N ATOM 893 CA LYS A 57 82.869 -7.189 3.742 1.00 0.00 C ATOM 894 C LYS A 57 83.414 -5.766 3.787 1.00 0.00 C ATOM 895 O LYS A 57 84.532 -5.502 3.341 1.00 0.00 O ATOM 896 CB LYS A 57 83.704 -8.085 4.662 1.00 0.00 C ATOM 897 CG LYS A 57 83.142 -9.512 4.655 1.00 0.00 C ATOM 898 CD LYS A 57 81.847 -9.563 5.476 1.00 0.00 C ATOM 899 CE LYS A 57 81.446 -11.021 5.721 1.00 0.00 C ATOM 900 NZ LYS A 57 81.141 -11.679 4.419 1.00 0.00 N ATOM 0 H LYS A 57 83.829 -7.863 2.000 1.00 0.00 H new ATOM 0 HA LYS A 57 81.834 -7.181 4.084 1.00 0.00 H new ATOM 0 HB2 LYS A 57 84.743 -8.093 4.331 1.00 0.00 H new ATOM 0 HB3 LYS A 57 83.696 -7.687 5.677 1.00 0.00 H new ATOM 0 HG2 LYS A 57 82.947 -9.831 3.631 1.00 0.00 H new ATOM 0 HG3 LYS A 57 83.875 -10.204 5.071 1.00 0.00 H new ATOM 0 HD2 LYS A 57 81.988 -9.050 6.427 1.00 0.00 H new ATOM 0 HD3 LYS A 57 81.050 -9.041 4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 57 82.253 -11.551 6.228 1.00 0.00 H new ATOM 0 HE3 LYS A 57 80.575 -11.065 6.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 80.693 -12.602 4.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 80.494 -11.078 3.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 82.023 -11.817 3.885 1.00 0.00 H new ATOM 914 N GLN A 58 82.615 -4.856 4.339 1.00 0.00 N ATOM 915 CA GLN A 58 83.025 -3.462 4.453 1.00 0.00 C ATOM 916 C GLN A 58 84.118 -3.334 5.507 1.00 0.00 C ATOM 917 O GLN A 58 83.981 -3.851 6.617 1.00 0.00 O ATOM 918 CB GLN A 58 81.830 -2.585 4.844 1.00 0.00 C ATOM 919 CG GLN A 58 80.606 -2.969 4.005 1.00 0.00 C ATOM 920 CD GLN A 58 79.527 -1.896 4.128 1.00 0.00 C ATOM 921 OE1 GLN A 58 79.810 -0.707 3.974 1.00 0.00 O ATOM 922 NE2 GLN A 58 78.298 -2.247 4.395 1.00 0.00 N ATOM 0 H GLN A 58 81.687 -5.058 4.711 1.00 0.00 H new ATOM 0 HA GLN A 58 83.407 -3.128 3.488 1.00 0.00 H new ATOM 0 HB2 GLN A 58 81.609 -2.708 5.904 1.00 0.00 H new ATOM 0 HB3 GLN A 58 82.073 -1.534 4.689 1.00 0.00 H new ATOM 0 HG2 GLN A 58 80.894 -3.088 2.961 1.00 0.00 H new ATOM 0 HG3 GLN A 58 80.214 -3.930 4.339 1.00 0.00 H new ATOM 0 HE21 GLN A 58 78.065 -3.232 4.522 1.00 0.00 H new ATOM 0 HE22 GLN A 58 77.571 -1.536 4.476 1.00 0.00 H new ATOM 931 N LEU A 59 85.203 -2.651 5.157 1.00 0.00 N ATOM 932 CA LEU A 59 86.315 -2.474 6.086 1.00 0.00 C ATOM 933 C LEU A 59 86.115 -1.217 6.928 1.00 0.00 C ATOM 934 O LEU A 59 85.494 -0.252 6.479 1.00 0.00 O ATOM 935 CB LEU A 59 87.633 -2.378 5.311 1.00 0.00 C ATOM 936 CG LEU A 59 87.725 -3.527 4.296 1.00 0.00 C ATOM 937 CD1 LEU A 59 88.875 -3.264 3.319 1.00 0.00 C ATOM 938 CD2 LEU A 59 87.977 -4.844 5.035 1.00 0.00 C ATOM 0 H LEU A 59 85.337 -2.214 4.245 1.00 0.00 H new ATOM 0 HA LEU A 59 86.352 -3.336 6.752 1.00 0.00 H new ATOM 0 HB2 LEU A 59 87.693 -1.420 4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 59 88.475 -2.422 6.001 1.00 0.00 H new ATOM 0 HG LEU A 59 86.788 -3.592 3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 59 88.936 -4.082 2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 59 88.696 -2.328 2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 59 89.812 -3.194 3.871 1.00 0.00 H new ATOM 0 HD21 LEU A 59 88.042 -5.659 4.314 1.00 0.00 H new ATOM 0 HD22 LEU A 59 88.912 -4.776 5.591 1.00 0.00 H new ATOM 0 HD23 LEU A 59 87.157 -5.036 5.726 1.00 0.00 H new ATOM 950 N GLU A 60 86.638 -1.240 8.153 1.00 0.00 N ATOM 951 CA GLU A 60 86.507 -0.101 9.059 1.00 0.00 C ATOM 952 C GLU A 60 87.864 0.296 9.638 1.00 0.00 C ATOM 953 O GLU A 60 88.848 -0.431 9.501 1.00 0.00 O ATOM 954 CB GLU A 60 85.549 -0.454 10.202 1.00 0.00 C ATOM 955 CG GLU A 60 85.979 -1.774 10.848 1.00 0.00 C ATOM 956 CD GLU A 60 85.499 -1.829 12.294 1.00 0.00 C ATOM 957 OE1 GLU A 60 86.087 -1.150 13.120 1.00 0.00 O ATOM 958 OE2 GLU A 60 84.549 -2.550 12.557 1.00 0.00 O ATOM 0 H GLU A 60 87.154 -2.031 8.539 1.00 0.00 H new ATOM 0 HA GLU A 60 86.111 0.741 8.492 1.00 0.00 H new ATOM 0 HB2 GLU A 60 85.547 0.342 10.946 1.00 0.00 H new ATOM 0 HB3 GLU A 60 84.531 -0.539 9.823 1.00 0.00 H new ATOM 0 HG2 GLU A 60 85.567 -2.613 10.288 1.00 0.00 H new ATOM 0 HG3 GLU A 60 87.064 -1.869 10.813 1.00 0.00 H new ATOM 965 N ASP A 61 87.899 1.456 10.290 1.00 0.00 N ATOM 966 CA ASP A 61 89.130 1.959 10.897 1.00 0.00 C ATOM 967 C ASP A 61 89.704 0.942 11.882 1.00 0.00 C ATOM 968 O ASP A 61 90.920 0.843 12.044 1.00 0.00 O ATOM 969 CB ASP A 61 88.853 3.278 11.625 1.00 0.00 C ATOM 970 CG ASP A 61 87.930 3.037 12.817 1.00 0.00 C ATOM 971 OD1 ASP A 61 86.762 2.758 12.593 1.00 0.00 O ATOM 972 OD2 ASP A 61 88.404 3.130 13.937 1.00 0.00 O ATOM 0 H ASP A 61 87.090 2.065 10.412 1.00 0.00 H new ATOM 0 HA ASP A 61 89.859 2.126 10.104 1.00 0.00 H new ATOM 0 HB2 ASP A 61 89.790 3.719 11.965 1.00 0.00 H new ATOM 0 HB3 ASP A 61 88.395 3.991 10.940 1.00 0.00 H new ATOM 977 N GLY A 62 88.820 0.193 12.537 1.00 0.00 N ATOM 978 CA GLY A 62 89.250 -0.812 13.507 1.00 0.00 C ATOM 979 C GLY A 62 89.875 -2.017 12.810 1.00 0.00 C ATOM 980 O GLY A 62 90.626 -2.778 13.422 1.00 0.00 O ATOM 0 H GLY A 62 87.810 0.261 12.416 1.00 0.00 H new ATOM 0 HA2 GLY A 62 89.971 -0.372 14.196 1.00 0.00 H new ATOM 0 HA3 GLY A 62 88.396 -1.135 14.103 1.00 0.00 H new ATOM 984 N ARG A 63 89.560 -2.187 11.527 1.00 0.00 N ATOM 985 CA ARG A 63 90.094 -3.305 10.755 1.00 0.00 C ATOM 986 C ARG A 63 91.572 -3.085 10.444 1.00 0.00 C ATOM 987 O ARG A 63 92.026 -1.948 10.311 1.00 0.00 O ATOM 988 CB ARG A 63 89.311 -3.456 9.446 1.00 0.00 C ATOM 989 CG ARG A 63 89.590 -4.831 8.825 1.00 0.00 C ATOM 990 CD ARG A 63 88.666 -5.878 9.451 1.00 0.00 C ATOM 991 NE ARG A 63 87.273 -5.565 9.151 1.00 0.00 N ATOM 992 CZ ARG A 63 86.319 -5.727 10.062 1.00 0.00 C ATOM 993 NH1 ARG A 63 86.241 -4.912 11.078 1.00 0.00 N ATOM 994 NH2 ARG A 63 85.462 -6.704 9.942 1.00 0.00 N ATOM 0 H ARG A 63 88.941 -1.568 11.003 1.00 0.00 H new ATOM 0 HA ARG A 63 89.991 -4.214 11.348 1.00 0.00 H new ATOM 0 HB2 ARG A 63 88.244 -3.343 9.636 1.00 0.00 H new ATOM 0 HB3 ARG A 63 89.596 -2.668 8.749 1.00 0.00 H new ATOM 0 HG2 ARG A 63 89.433 -4.792 7.747 1.00 0.00 H new ATOM 0 HG3 ARG A 63 90.632 -5.109 8.986 1.00 0.00 H new ATOM 0 HD2 ARG A 63 88.914 -6.868 9.068 1.00 0.00 H new ATOM 0 HD3 ARG A 63 88.816 -5.907 10.530 1.00 0.00 H new ATOM 0 HE ARG A 63 87.027 -5.215 8.225 1.00 0.00 H new ATOM 0 HH11 ARG A 63 86.912 -4.150 11.173 1.00 0.00 H new ATOM 0 HH12 ARG A 63 85.509 -5.037 11.777 1.00 0.00 H new ATOM 0 HH21 ARG A 63 85.525 -7.343 9.149 1.00 0.00 H new ATOM 0 HH22 ARG A 63 84.730 -6.829 10.641 1.00 0.00 H new ATOM 1008 N THR A 64 92.314 -4.185 10.327 1.00 0.00 N ATOM 1009 CA THR A 64 93.742 -4.112 10.026 1.00 0.00 C ATOM 1010 C THR A 64 94.030 -4.694 8.647 1.00 0.00 C ATOM 1011 O THR A 64 93.212 -5.422 8.083 1.00 0.00 O ATOM 1012 CB THR A 64 94.548 -4.880 11.081 1.00 0.00 C ATOM 1013 OG1 THR A 64 93.797 -5.997 11.535 1.00 0.00 O ATOM 1014 CG2 THR A 64 94.856 -3.959 12.263 1.00 0.00 C ATOM 0 H THR A 64 91.952 -5.132 10.435 1.00 0.00 H new ATOM 0 HA THR A 64 94.038 -3.063 10.038 1.00 0.00 H new ATOM 0 HB THR A 64 95.482 -5.226 10.638 1.00 0.00 H new ATOM 0 HG1 THR A 64 94.314 -6.487 12.208 1.00 0.00 H new ATOM 0 HG21 THR A 64 95.429 -4.507 13.011 1.00 0.00 H new ATOM 0 HG22 THR A 64 95.436 -3.104 11.916 1.00 0.00 H new ATOM 0 HG23 THR A 64 93.923 -3.609 12.705 1.00 0.00 H new ATOM 1022 N LEU A 65 95.199 -4.363 8.114 1.00 0.00 N ATOM 1023 CA LEU A 65 95.605 -4.846 6.802 1.00 0.00 C ATOM 1024 C LEU A 65 95.954 -6.332 6.867 1.00 0.00 C ATOM 1025 O LEU A 65 95.533 -7.120 6.020 1.00 0.00 O ATOM 1026 CB LEU A 65 96.820 -4.036 6.317 1.00 0.00 C ATOM 1027 CG LEU A 65 96.354 -2.814 5.512 1.00 0.00 C ATOM 1028 CD1 LEU A 65 97.559 -2.151 4.843 1.00 0.00 C ATOM 1029 CD2 LEU A 65 95.354 -3.240 4.432 1.00 0.00 C ATOM 0 H LEU A 65 95.883 -3.761 8.572 1.00 0.00 H new ATOM 0 HA LEU A 65 94.780 -4.718 6.101 1.00 0.00 H new ATOM 0 HB2 LEU A 65 97.415 -3.713 7.171 1.00 0.00 H new ATOM 0 HB3 LEU A 65 97.462 -4.664 5.700 1.00 0.00 H new ATOM 0 HG LEU A 65 95.872 -2.111 6.191 1.00 0.00 H new ATOM 0 HD11 LEU A 65 97.227 -1.284 4.272 1.00 0.00 H new ATOM 0 HD12 LEU A 65 98.269 -1.833 5.606 1.00 0.00 H new ATOM 0 HD13 LEU A 65 98.041 -2.863 4.173 1.00 0.00 H new ATOM 0 HD21 LEU A 65 95.032 -2.364 3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 65 95.829 -3.951 3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 65 94.489 -3.708 4.902 1.00 0.00 H new ATOM 1041 N SER A 66 96.723 -6.701 7.885 1.00 0.00 N ATOM 1042 CA SER A 66 97.136 -8.090 8.074 1.00 0.00 C ATOM 1043 C SER A 66 95.941 -8.972 8.441 1.00 0.00 C ATOM 1044 O SER A 66 96.046 -10.199 8.448 1.00 0.00 O ATOM 1045 CB SER A 66 98.198 -8.172 9.173 1.00 0.00 C ATOM 1046 OG SER A 66 98.564 -9.531 9.380 1.00 0.00 O ATOM 0 H SER A 66 97.075 -6.058 8.594 1.00 0.00 H new ATOM 0 HA SER A 66 97.555 -8.453 7.135 1.00 0.00 H new ATOM 0 HB2 SER A 66 99.074 -7.588 8.891 1.00 0.00 H new ATOM 0 HB3 SER A 66 97.813 -7.743 10.098 1.00 0.00 H new ATOM 0 HG SER A 66 97.872 -10.117 9.007 1.00 0.00 H new ATOM 1052 N ASP A 67 94.806 -8.338 8.733 1.00 0.00 N ATOM 1053 CA ASP A 67 93.592 -9.074 9.088 1.00 0.00 C ATOM 1054 C ASP A 67 93.211 -10.042 7.970 1.00 0.00 C ATOM 1055 O ASP A 67 92.485 -11.012 8.191 1.00 0.00 O ATOM 1056 CB ASP A 67 92.442 -8.092 9.327 1.00 0.00 C ATOM 1057 CG ASP A 67 91.227 -8.829 9.885 1.00 0.00 C ATOM 1058 OD1 ASP A 67 91.167 -9.005 11.091 1.00 0.00 O ATOM 1059 OD2 ASP A 67 90.373 -9.205 9.099 1.00 0.00 O ATOM 0 H ASP A 67 94.701 -7.323 8.731 1.00 0.00 H new ATOM 0 HA ASP A 67 93.782 -9.642 9.999 1.00 0.00 H new ATOM 0 HB2 ASP A 67 92.757 -7.315 10.024 1.00 0.00 H new ATOM 0 HB3 ASP A 67 92.178 -7.595 8.393 1.00 0.00 H new ATOM 1064 N TYR A 68 93.721 -9.766 6.775 1.00 0.00 N ATOM 1065 CA TYR A 68 93.451 -10.608 5.615 1.00 0.00 C ATOM 1066 C TYR A 68 94.758 -11.049 4.962 1.00 0.00 C ATOM 1067 O TYR A 68 94.747 -11.724 3.932 1.00 0.00 O ATOM 1068 CB TYR A 68 92.593 -9.842 4.604 1.00 0.00 C ATOM 1069 CG TYR A 68 91.313 -9.391 5.270 1.00 0.00 C ATOM 1070 CD1 TYR A 68 90.310 -10.325 5.567 1.00 0.00 C ATOM 1071 CD2 TYR A 68 91.127 -8.041 5.594 1.00 0.00 C ATOM 1072 CE1 TYR A 68 89.125 -9.908 6.185 1.00 0.00 C ATOM 1073 CE2 TYR A 68 89.941 -7.625 6.211 1.00 0.00 C ATOM 1074 CZ TYR A 68 88.941 -8.558 6.506 1.00 0.00 C ATOM 1075 OH TYR A 68 87.772 -8.147 7.115 1.00 0.00 O ATOM 0 H TYR A 68 94.324 -8.966 6.584 1.00 0.00 H new ATOM 0 HA TYR A 68 92.910 -11.495 5.944 1.00 0.00 H new ATOM 0 HB2 TYR A 68 93.142 -8.980 4.224 1.00 0.00 H new ATOM 0 HB3 TYR A 68 92.366 -10.477 3.748 1.00 0.00 H new ATOM 0 HD1 TYR A 68 90.452 -11.367 5.319 1.00 0.00 H new ATOM 0 HD2 TYR A 68 91.899 -7.320 5.368 1.00 0.00 H new ATOM 0 HE1 TYR A 68 88.353 -10.628 6.414 1.00 0.00 H new ATOM 0 HE2 TYR A 68 89.798 -6.584 6.459 1.00 0.00 H new ATOM 0 HH TYR A 68 87.416 -8.876 7.665 1.00 0.00 H new ATOM 1085 N ASN A 69 95.878 -10.640 5.562 1.00 0.00 N ATOM 1086 CA ASN A 69 97.204 -10.967 5.038 1.00 0.00 C ATOM 1087 C ASN A 69 97.515 -10.081 3.837 1.00 0.00 C ATOM 1088 O ASN A 69 98.129 -10.518 2.861 1.00 0.00 O ATOM 1089 CB ASN A 69 97.292 -12.449 4.646 1.00 0.00 C ATOM 1090 CG ASN A 69 96.679 -13.319 5.740 1.00 0.00 C ATOM 1091 OD1 ASN A 69 97.161 -13.323 6.873 1.00 0.00 O ATOM 1092 ND2 ASN A 69 95.642 -14.062 5.469 1.00 0.00 N ATOM 0 H ASN A 69 95.892 -10.080 6.414 1.00 0.00 H new ATOM 0 HA ASN A 69 97.941 -10.784 5.820 1.00 0.00 H new ATOM 0 HB2 ASN A 69 96.770 -12.615 3.703 1.00 0.00 H new ATOM 0 HB3 ASN A 69 98.333 -12.730 4.488 1.00 0.00 H new ATOM 0 HD21 ASN A 69 95.230 -14.647 6.196 1.00 0.00 H new ATOM 0 HD22 ASN A 69 95.243 -14.058 4.530 1.00 0.00 H new ATOM 1099 N ILE A 70 97.083 -8.826 3.931 1.00 0.00 N ATOM 1100 CA ILE A 70 97.305 -7.855 2.866 1.00 0.00 C ATOM 1101 C ILE A 70 98.744 -7.349 2.907 1.00 0.00 C ATOM 1102 O ILE A 70 99.065 -6.418 3.647 1.00 0.00 O ATOM 1103 CB ILE A 70 96.326 -6.682 3.019 1.00 0.00 C ATOM 1104 CG1 ILE A 70 94.900 -7.173 2.732 1.00 0.00 C ATOM 1105 CG2 ILE A 70 96.690 -5.561 2.036 1.00 0.00 C ATOM 1106 CD1 ILE A 70 93.882 -6.164 3.270 1.00 0.00 C ATOM 0 H ILE A 70 96.576 -8.458 4.736 1.00 0.00 H new ATOM 0 HA ILE A 70 97.133 -8.337 1.904 1.00 0.00 H new ATOM 0 HB ILE A 70 96.385 -6.294 4.036 1.00 0.00 H new ATOM 0 HG12 ILE A 70 94.761 -7.306 1.659 1.00 0.00 H new ATOM 0 HG13 ILE A 70 94.741 -8.146 3.197 1.00 0.00 H new ATOM 0 HG21 ILE A 70 95.990 -4.734 2.152 1.00 0.00 H new ATOM 0 HG22 ILE A 70 97.702 -5.212 2.241 1.00 0.00 H new ATOM 0 HG23 ILE A 70 96.637 -5.940 1.016 1.00 0.00 H new ATOM 0 HD11 ILE A 70 92.873 -6.520 3.062 1.00 0.00 H new ATOM 0 HD12 ILE A 70 94.014 -6.053 4.346 1.00 0.00 H new ATOM 0 HD13 ILE A 70 94.034 -5.200 2.785 1.00 0.00 H new ATOM 1118 N GLN A 71 99.604 -7.970 2.102 1.00 0.00 N ATOM 1119 CA GLN A 71 101.008 -7.576 2.045 1.00 0.00 C ATOM 1120 C GLN A 71 101.150 -6.247 1.302 1.00 0.00 C ATOM 1121 O GLN A 71 100.450 -5.281 1.610 1.00 0.00 O ATOM 1122 CB GLN A 71 101.832 -8.669 1.347 1.00 0.00 C ATOM 1123 CG GLN A 71 101.289 -8.917 -0.067 1.00 0.00 C ATOM 1124 CD GLN A 71 100.432 -10.178 -0.084 1.00 0.00 C ATOM 1125 OE1 GLN A 71 99.213 -10.103 0.074 1.00 0.00 O ATOM 1126 NE2 GLN A 71 100.999 -11.339 -0.268 1.00 0.00 N ATOM 0 H GLN A 71 99.355 -8.743 1.485 1.00 0.00 H new ATOM 0 HA GLN A 71 101.383 -7.449 3.061 1.00 0.00 H new ATOM 0 HB2 GLN A 71 102.879 -8.369 1.296 1.00 0.00 H new ATOM 0 HB3 GLN A 71 101.793 -9.591 1.927 1.00 0.00 H new ATOM 0 HG2 GLN A 71 100.698 -8.061 -0.393 1.00 0.00 H new ATOM 0 HG3 GLN A 71 102.116 -9.020 -0.770 1.00 0.00 H new ATOM 0 HE21 GLN A 71 102.009 -11.398 -0.399 1.00 0.00 H new ATOM 0 HE22 GLN A 71 100.432 -12.187 -0.281 1.00 0.00 H new ATOM 1135 N ARG A 72 102.044 -6.206 0.318 1.00 0.00 N ATOM 1136 CA ARG A 72 102.248 -4.992 -0.462 1.00 0.00 C ATOM 1137 C ARG A 72 101.544 -5.110 -1.812 1.00 0.00 C ATOM 1138 O ARG A 72 100.844 -4.192 -2.239 1.00 0.00 O ATOM 1139 CB ARG A 72 103.745 -4.720 -0.672 1.00 0.00 C ATOM 1140 CG ARG A 72 104.560 -5.988 -0.401 1.00 0.00 C ATOM 1141 CD ARG A 72 106.053 -5.661 -0.486 1.00 0.00 C ATOM 1142 NE ARG A 72 106.459 -5.505 -1.879 1.00 0.00 N ATOM 1143 CZ ARG A 72 106.677 -6.562 -2.656 1.00 0.00 C ATOM 1144 NH1 ARG A 72 107.328 -7.592 -2.188 1.00 0.00 N ATOM 1145 NH2 ARG A 72 106.245 -6.569 -3.886 1.00 0.00 N ATOM 0 H ARG A 72 102.633 -6.992 0.044 1.00 0.00 H new ATOM 0 HA ARG A 72 101.822 -4.156 0.092 1.00 0.00 H new ATOM 0 HB2 ARG A 72 103.920 -4.379 -1.692 1.00 0.00 H new ATOM 0 HB3 ARG A 72 104.073 -3.920 -0.008 1.00 0.00 H new ATOM 0 HG2 ARG A 72 104.319 -6.385 0.585 1.00 0.00 H new ATOM 0 HG3 ARG A 72 104.304 -6.760 -1.126 1.00 0.00 H new ATOM 0 HD2 ARG A 72 106.264 -4.745 0.066 1.00 0.00 H new ATOM 0 HD3 ARG A 72 106.634 -6.456 -0.018 1.00 0.00 H new ATOM 0 HE ARG A 72 106.578 -4.568 -2.264 1.00 0.00 H new ATOM 0 HH11 ARG A 72 107.669 -7.586 -1.227 1.00 0.00 H new ATOM 0 HH12 ARG A 72 107.495 -8.403 -2.783 1.00 0.00 H new ATOM 0 HH21 ARG A 72 105.739 -5.763 -4.253 1.00 0.00 H new ATOM 0 HH22 ARG A 72 106.413 -7.380 -4.481 1.00 0.00 H new ATOM 1159 N GLU A 73 101.740 -6.245 -2.477 1.00 0.00 N ATOM 1160 CA GLU A 73 101.125 -6.482 -3.782 1.00 0.00 C ATOM 1161 C GLU A 73 99.650 -6.857 -3.626 1.00 0.00 C ATOM 1162 O GLU A 73 99.181 -7.832 -4.217 1.00 0.00 O ATOM 1163 CB GLU A 73 101.867 -7.611 -4.508 1.00 0.00 C ATOM 1164 CG GLU A 73 103.378 -7.368 -4.437 1.00 0.00 C ATOM 1165 CD GLU A 73 104.096 -8.225 -5.475 1.00 0.00 C ATOM 1166 OE1 GLU A 73 104.139 -7.818 -6.625 1.00 0.00 O ATOM 1167 OE2 GLU A 73 104.593 -9.277 -5.105 1.00 0.00 O ATOM 0 H GLU A 73 102.318 -7.014 -2.136 1.00 0.00 H new ATOM 0 HA GLU A 73 101.192 -5.564 -4.366 1.00 0.00 H new ATOM 0 HB2 GLU A 73 101.622 -8.571 -4.053 1.00 0.00 H new ATOM 0 HB3 GLU A 73 101.546 -7.660 -5.548 1.00 0.00 H new ATOM 0 HG2 GLU A 73 103.593 -6.314 -4.612 1.00 0.00 H new ATOM 0 HG3 GLU A 73 103.746 -7.607 -3.439 1.00 0.00 H new ATOM 1174 N SER A 74 98.928 -6.077 -2.824 1.00 0.00 N ATOM 1175 CA SER A 74 97.508 -6.332 -2.589 1.00 0.00 C ATOM 1176 C SER A 74 96.648 -5.256 -3.249 1.00 0.00 C ATOM 1177 O SER A 74 96.983 -4.071 -3.211 1.00 0.00 O ATOM 1178 CB SER A 74 97.229 -6.354 -1.086 1.00 0.00 C ATOM 1179 OG SER A 74 98.218 -7.145 -0.438 1.00 0.00 O ATOM 0 H SER A 74 99.300 -5.267 -2.328 1.00 0.00 H new ATOM 0 HA SER A 74 97.255 -7.298 -3.025 1.00 0.00 H new ATOM 0 HB2 SER A 74 97.239 -5.340 -0.687 1.00 0.00 H new ATOM 0 HB3 SER A 74 96.237 -6.762 -0.894 1.00 0.00 H new ATOM 0 HG SER A 74 98.048 -8.093 -0.618 1.00 0.00 H new ATOM 1185 N THR A 75 95.539 -5.682 -3.852 1.00 0.00 N ATOM 1186 CA THR A 75 94.631 -4.752 -4.520 1.00 0.00 C ATOM 1187 C THR A 75 93.506 -4.335 -3.577 1.00 0.00 C ATOM 1188 O THR A 75 92.535 -5.069 -3.383 1.00 0.00 O ATOM 1189 CB THR A 75 94.043 -5.406 -5.776 1.00 0.00 C ATOM 1190 OG1 THR A 75 95.092 -5.991 -6.537 1.00 0.00 O ATOM 1191 CG2 THR A 75 93.326 -4.351 -6.623 1.00 0.00 C ATOM 0 H THR A 75 95.249 -6.659 -3.892 1.00 0.00 H new ATOM 0 HA THR A 75 95.193 -3.863 -4.808 1.00 0.00 H new ATOM 0 HB THR A 75 93.329 -6.176 -5.482 1.00 0.00 H new ATOM 0 HG1 THR A 75 94.719 -6.411 -7.340 1.00 0.00 H new ATOM 0 HG21 THR A 75 92.910 -4.821 -7.514 1.00 0.00 H new ATOM 0 HG22 THR A 75 92.521 -3.902 -6.041 1.00 0.00 H new ATOM 0 HG23 THR A 75 94.035 -3.578 -6.918 1.00 0.00 H new ATOM 1199 N LEU A 76 93.649 -3.149 -2.995 1.00 0.00 N ATOM 1200 CA LEU A 76 92.652 -2.624 -2.067 1.00 0.00 C ATOM 1201 C LEU A 76 91.486 -1.998 -2.825 1.00 0.00 C ATOM 1202 O LEU A 76 91.673 -1.071 -3.609 1.00 0.00 O ATOM 1203 CB LEU A 76 93.297 -1.568 -1.163 1.00 0.00 C ATOM 1204 CG LEU A 76 93.752 -2.213 0.150 1.00 0.00 C ATOM 1205 CD1 LEU A 76 95.086 -2.934 -0.069 1.00 0.00 C ATOM 1206 CD2 LEU A 76 93.927 -1.128 1.215 1.00 0.00 C ATOM 0 H LEU A 76 94.446 -2.532 -3.149 1.00 0.00 H new ATOM 0 HA LEU A 76 92.274 -3.448 -1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 76 94.149 -1.114 -1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 76 92.585 -0.768 -0.958 1.00 0.00 H new ATOM 0 HG LEU A 76 93.002 -2.931 0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 76 95.409 -3.393 0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 76 94.962 -3.706 -0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 76 95.837 -2.217 -0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 76 94.251 -1.585 2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 76 94.677 -0.410 0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 76 92.978 -0.615 1.371 1.00 0.00 H new ATOM 1218 N HIS A 77 90.282 -2.506 -2.580 1.00 0.00 N ATOM 1219 CA HIS A 77 89.089 -1.982 -3.238 1.00 0.00 C ATOM 1220 C HIS A 77 88.467 -0.874 -2.389 1.00 0.00 C ATOM 1221 O HIS A 77 87.943 -1.132 -1.303 1.00 0.00 O ATOM 1222 CB HIS A 77 88.074 -3.108 -3.448 1.00 0.00 C ATOM 1223 CG HIS A 77 88.575 -4.045 -4.512 1.00 0.00 C ATOM 1224 ND1 HIS A 77 89.823 -4.645 -4.441 1.00 0.00 N ATOM 1225 CD2 HIS A 77 88.006 -4.499 -5.676 1.00 0.00 C ATOM 1226 CE1 HIS A 77 89.963 -5.419 -5.532 1.00 0.00 C ATOM 1227 NE2 HIS A 77 88.885 -5.366 -6.319 1.00 0.00 N ATOM 0 H HIS A 77 90.107 -3.276 -1.934 1.00 0.00 H new ATOM 0 HA HIS A 77 89.371 -1.570 -4.207 1.00 0.00 H new ATOM 0 HB2 HIS A 77 87.919 -3.650 -2.515 1.00 0.00 H new ATOM 0 HB3 HIS A 77 87.109 -2.692 -3.740 1.00 0.00 H new ATOM 0 HD1 HIS A 77 90.510 -4.522 -3.697 1.00 0.00 H new ATOM 0 HD2 HIS A 77 87.026 -4.225 -6.038 1.00 0.00 H new ATOM 0 HE1 HIS A 77 90.840 -6.011 -5.746 1.00 0.00 H new ATOM 1235 N LEU A 78 88.527 0.358 -2.892 1.00 0.00 N ATOM 1236 CA LEU A 78 87.974 1.506 -2.178 1.00 0.00 C ATOM 1237 C LEU A 78 86.814 2.111 -2.968 1.00 0.00 C ATOM 1238 O LEU A 78 86.808 2.076 -4.197 1.00 0.00 O ATOM 1239 CB LEU A 78 89.080 2.557 -1.989 1.00 0.00 C ATOM 1240 CG LEU A 78 88.499 3.855 -1.411 1.00 0.00 C ATOM 1241 CD1 LEU A 78 89.329 4.297 -0.201 1.00 0.00 C ATOM 1242 CD2 LEU A 78 88.534 4.953 -2.479 1.00 0.00 C ATOM 0 H LEU A 78 88.953 0.586 -3.790 1.00 0.00 H new ATOM 0 HA LEU A 78 87.601 1.183 -1.206 1.00 0.00 H new ATOM 0 HB2 LEU A 78 89.849 2.168 -1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 78 89.562 2.762 -2.945 1.00 0.00 H new ATOM 0 HG LEU A 78 87.469 3.681 -1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 78 88.915 5.219 0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 78 89.304 3.519 0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 78 90.360 4.469 -0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 78 88.121 5.874 -2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 78 89.564 5.125 -2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 78 87.941 4.643 -3.340 1.00 0.00 H new ATOM 1254 N VAL A 79 85.838 2.668 -2.255 1.00 0.00 N ATOM 1255 CA VAL A 79 84.683 3.287 -2.901 1.00 0.00 C ATOM 1256 C VAL A 79 84.574 4.753 -2.485 1.00 0.00 C ATOM 1257 O VAL A 79 84.590 5.073 -1.295 1.00 0.00 O ATOM 1258 CB VAL A 79 83.395 2.538 -2.528 1.00 0.00 C ATOM 1259 CG1 VAL A 79 83.424 1.132 -3.134 1.00 0.00 C ATOM 1260 CG2 VAL A 79 83.276 2.430 -1.005 1.00 0.00 C ATOM 0 H VAL A 79 85.823 2.704 -1.236 1.00 0.00 H new ATOM 0 HA VAL A 79 84.818 3.233 -3.981 1.00 0.00 H new ATOM 0 HB VAL A 79 82.539 3.088 -2.919 1.00 0.00 H new ATOM 0 HG11 VAL A 79 82.509 0.602 -2.868 1.00 0.00 H new ATOM 0 HG12 VAL A 79 83.499 1.205 -4.219 1.00 0.00 H new ATOM 0 HG13 VAL A 79 84.285 0.587 -2.747 1.00 0.00 H new ATOM 0 HG21 VAL A 79 82.360 1.898 -0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 79 84.134 1.886 -0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 79 83.249 3.429 -0.570 1.00 0.00 H new ATOM 1270 N LEU A 80 84.475 5.639 -3.473 1.00 0.00 N ATOM 1271 CA LEU A 80 84.374 7.071 -3.202 1.00 0.00 C ATOM 1272 C LEU A 80 82.915 7.506 -3.127 1.00 0.00 C ATOM 1273 O LEU A 80 82.090 7.081 -3.935 1.00 0.00 O ATOM 1274 CB LEU A 80 85.090 7.864 -4.303 1.00 0.00 C ATOM 1275 CG LEU A 80 86.265 8.639 -3.700 1.00 0.00 C ATOM 1276 CD1 LEU A 80 87.232 9.056 -4.814 1.00 0.00 C ATOM 1277 CD2 LEU A 80 85.740 9.889 -2.987 1.00 0.00 C ATOM 0 H LEU A 80 84.463 5.393 -4.463 1.00 0.00 H new ATOM 0 HA LEU A 80 84.848 7.271 -2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 80 85.448 7.187 -5.078 1.00 0.00 H new ATOM 0 HB3 LEU A 80 84.393 8.554 -4.780 1.00 0.00 H new ATOM 0 HG LEU A 80 86.788 8.004 -2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 80 88.068 9.607 -4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 80 87.607 8.167 -5.322 1.00 0.00 H new ATOM 0 HD13 LEU A 80 86.710 9.690 -5.531 1.00 0.00 H new ATOM 0 HD21 LEU A 80 86.576 10.441 -2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 80 85.216 10.523 -3.702 1.00 0.00 H new ATOM 0 HD23 LEU A 80 85.054 9.594 -2.193 1.00 0.00 H new ATOM 1289 N ARG A 81 82.608 8.362 -2.155 1.00 0.00 N ATOM 1290 CA ARG A 81 81.247 8.858 -1.985 1.00 0.00 C ATOM 1291 C ARG A 81 81.024 10.104 -2.840 1.00 0.00 C ATOM 1292 O ARG A 81 81.726 10.321 -3.828 1.00 0.00 O ATOM 1293 CB ARG A 81 80.987 9.184 -0.510 1.00 0.00 C ATOM 1294 CG ARG A 81 81.071 7.904 0.325 1.00 0.00 C ATOM 1295 CD ARG A 81 80.727 8.220 1.782 1.00 0.00 C ATOM 1296 NE ARG A 81 79.897 7.162 2.343 1.00 0.00 N ATOM 1297 CZ ARG A 81 78.572 7.257 2.354 1.00 0.00 C ATOM 1298 NH1 ARG A 81 77.973 7.919 3.305 1.00 0.00 N ATOM 1299 NH2 ARG A 81 77.870 6.690 1.412 1.00 0.00 N ATOM 0 H ARG A 81 83.279 8.724 -1.478 1.00 0.00 H new ATOM 0 HA ARG A 81 80.552 8.083 -2.307 1.00 0.00 H new ATOM 0 HB2 ARG A 81 81.718 9.910 -0.154 1.00 0.00 H new ATOM 0 HB3 ARG A 81 80.003 9.640 -0.396 1.00 0.00 H new ATOM 0 HG2 ARG A 81 80.383 7.155 -0.068 1.00 0.00 H new ATOM 0 HG3 ARG A 81 82.073 7.481 0.261 1.00 0.00 H new ATOM 0 HD2 ARG A 81 81.642 8.323 2.365 1.00 0.00 H new ATOM 0 HD3 ARG A 81 80.203 9.174 1.841 1.00 0.00 H new ATOM 0 HE ARG A 81 80.342 6.332 2.735 1.00 0.00 H new ATOM 0 HH11 ARG A 81 78.522 8.364 4.041 1.00 0.00 H new ATOM 0 HH12 ARG A 81 76.956 7.992 3.313 1.00 0.00 H new ATOM 0 HH21 ARG A 81 78.338 6.174 0.667 1.00 0.00 H new ATOM 0 HH22 ARG A 81 76.853 6.763 1.420 1.00 0.00 H new ATOM 1313 N LEU A 82 80.041 10.916 -2.455 1.00 0.00 N ATOM 1314 CA LEU A 82 79.725 12.137 -3.191 1.00 0.00 C ATOM 1315 C LEU A 82 79.723 13.339 -2.250 1.00 0.00 C ATOM 1316 O LEU A 82 78.793 13.523 -1.464 1.00 0.00 O ATOM 1317 CB LEU A 82 78.351 11.998 -3.858 1.00 0.00 C ATOM 1318 CG LEU A 82 78.412 12.529 -5.291 1.00 0.00 C ATOM 1319 CD1 LEU A 82 77.079 12.259 -5.996 1.00 0.00 C ATOM 1320 CD2 LEU A 82 78.684 14.038 -5.271 1.00 0.00 C ATOM 0 H LEU A 82 79.451 10.750 -1.639 1.00 0.00 H new ATOM 0 HA LEU A 82 80.485 12.293 -3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 82 78.043 10.953 -3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 82 77.603 12.549 -3.288 1.00 0.00 H new ATOM 0 HG LEU A 82 79.215 12.024 -5.828 1.00 0.00 H new ATOM 0 HD11 LEU A 82 77.124 12.638 -7.017 1.00 0.00 H new ATOM 0 HD12 LEU A 82 76.888 11.186 -6.015 1.00 0.00 H new ATOM 0 HD13 LEU A 82 76.275 12.761 -5.458 1.00 0.00 H new ATOM 0 HD21 LEU A 82 78.727 14.414 -6.293 1.00 0.00 H new ATOM 0 HD22 LEU A 82 77.884 14.545 -4.732 1.00 0.00 H new ATOM 0 HD23 LEU A 82 79.635 14.230 -4.774 1.00 0.00 H new ATOM 1332 N ARG A 83 80.772 14.154 -2.335 1.00 0.00 N ATOM 1333 CA ARG A 83 80.883 15.337 -1.486 1.00 0.00 C ATOM 1334 C ARG A 83 80.643 16.608 -2.298 1.00 0.00 C ATOM 1335 O ARG A 83 81.027 17.703 -1.883 1.00 0.00 O ATOM 1336 CB ARG A 83 82.271 15.386 -0.841 1.00 0.00 C ATOM 1337 CG ARG A 83 82.137 15.743 0.643 1.00 0.00 C ATOM 1338 CD ARG A 83 83.525 15.968 1.248 1.00 0.00 C ATOM 1339 NE ARG A 83 83.832 17.394 1.286 1.00 0.00 N ATOM 1340 CZ ARG A 83 84.487 17.982 0.292 1.00 0.00 C ATOM 1341 NH1 ARG A 83 83.829 18.494 -0.712 1.00 0.00 N ATOM 1342 NH2 ARG A 83 85.791 18.047 0.319 1.00 0.00 N ATOM 0 H ARG A 83 81.552 14.018 -2.978 1.00 0.00 H new ATOM 0 HA ARG A 83 80.124 15.276 -0.706 1.00 0.00 H new ATOM 0 HB2 ARG A 83 82.768 14.422 -0.950 1.00 0.00 H new ATOM 0 HB3 ARG A 83 82.893 16.124 -1.348 1.00 0.00 H new ATOM 0 HG2 ARG A 83 81.530 16.641 0.757 1.00 0.00 H new ATOM 0 HG3 ARG A 83 81.624 14.942 1.175 1.00 0.00 H new ATOM 0 HD2 ARG A 83 83.562 15.553 2.255 1.00 0.00 H new ATOM 0 HD3 ARG A 83 84.276 15.442 0.659 1.00 0.00 H new ATOM 0 HE ARG A 83 83.538 17.949 2.090 1.00 0.00 H new ATOM 0 HH11 ARG A 83 82.811 18.443 -0.734 1.00 0.00 H new ATOM 0 HH12 ARG A 83 84.333 18.946 -1.475 1.00 0.00 H new ATOM 0 HH21 ARG A 83 86.305 17.646 1.103 1.00 0.00 H new ATOM 0 HH22 ARG A 83 86.295 18.499 -0.444 1.00 0.00 H new ATOM 1356 N GLY A 84 80.000 16.454 -3.455 1.00 0.00 N ATOM 1357 CA GLY A 84 79.705 17.593 -4.320 1.00 0.00 C ATOM 1358 C GLY A 84 80.779 17.773 -5.388 1.00 0.00 C ATOM 1359 O GLY A 84 80.536 18.395 -6.423 1.00 0.00 O ATOM 0 H GLY A 84 79.675 15.556 -3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 84 78.736 17.448 -4.797 1.00 0.00 H new ATOM 0 HA3 GLY A 84 79.632 18.499 -3.719 1.00 0.00 H new ATOM 1363 N GLY A 85 81.967 17.226 -5.134 1.00 0.00 N ATOM 1364 CA GLY A 85 83.071 17.335 -6.084 1.00 0.00 C ATOM 1365 C GLY A 85 82.723 16.661 -7.407 1.00 0.00 C ATOM 1366 O GLY A 85 82.814 17.275 -8.472 1.00 0.00 O ATOM 0 H GLY A 85 82.188 16.707 -4.284 1.00 0.00 H new ATOM 0 HA2 GLY A 85 83.304 18.386 -6.257 1.00 0.00 H new ATOM 0 HA3 GLY A 85 83.965 16.876 -5.662 1.00 0.00 H new ATOM 1370 N SER A 86 82.322 15.394 -7.330 1.00 0.00 N ATOM 1371 CA SER A 86 81.956 14.636 -8.523 1.00 0.00 C ATOM 1372 C SER A 86 81.051 13.467 -8.148 1.00 0.00 C ATOM 1373 O SER A 86 81.144 12.930 -7.044 1.00 0.00 O ATOM 1374 CB SER A 86 83.214 14.111 -9.219 1.00 0.00 C ATOM 1375 OG SER A 86 83.946 13.291 -8.316 1.00 0.00 O ATOM 0 H SER A 86 82.243 14.873 -6.457 1.00 0.00 H new ATOM 0 HA SER A 86 81.420 15.297 -9.204 1.00 0.00 H new ATOM 0 HB2 SER A 86 82.941 13.540 -10.106 1.00 0.00 H new ATOM 0 HB3 SER A 86 83.832 14.944 -9.554 1.00 0.00 H new ATOM 0 HG SER A 86 84.751 12.953 -8.761 1.00 0.00 H new ATOM 1381 N MET A 87 80.175 13.081 -9.073 1.00 0.00 N ATOM 1382 CA MET A 87 79.254 11.976 -8.826 1.00 0.00 C ATOM 1383 C MET A 87 79.960 10.631 -8.977 1.00 0.00 C ATOM 1384 O MET A 87 79.577 9.648 -8.343 1.00 0.00 O ATOM 1385 CB MET A 87 78.068 12.053 -9.796 1.00 0.00 C ATOM 1386 CG MET A 87 78.557 11.887 -11.238 1.00 0.00 C ATOM 1387 SD MET A 87 77.847 13.195 -12.271 1.00 0.00 S ATOM 1388 CE MET A 87 77.150 12.127 -13.556 1.00 0.00 C ATOM 0 H MET A 87 80.084 13.513 -9.992 1.00 0.00 H new ATOM 0 HA MET A 87 78.890 12.060 -7.802 1.00 0.00 H new ATOM 0 HB2 MET A 87 77.342 11.275 -9.558 1.00 0.00 H new ATOM 0 HB3 MET A 87 77.558 13.010 -9.684 1.00 0.00 H new ATOM 0 HG2 MET A 87 79.646 11.933 -11.272 1.00 0.00 H new ATOM 0 HG3 MET A 87 78.267 10.909 -11.621 1.00 0.00 H new ATOM 0 HE1 MET A 87 76.656 12.740 -14.310 1.00 0.00 H new ATOM 0 HE2 MET A 87 77.949 11.551 -14.023 1.00 0.00 H new ATOM 0 HE3 MET A 87 76.425 11.446 -13.110 1.00 0.00 H new ATOM 1398 N GLY A 88 80.989 10.593 -9.820 1.00 0.00 N ATOM 1399 CA GLY A 88 81.737 9.359 -10.048 1.00 0.00 C ATOM 1400 C GLY A 88 80.921 8.367 -10.873 1.00 0.00 C ATOM 1401 O GLY A 88 81.400 7.281 -11.204 1.00 0.00 O ATOM 0 H GLY A 88 81.322 11.396 -10.353 1.00 0.00 H new ATOM 0 HA2 GLY A 88 82.670 9.586 -10.564 1.00 0.00 H new ATOM 0 HA3 GLY A 88 82.003 8.909 -9.091 1.00 0.00 H new ATOM 1405 N GLY A 89 79.687 8.749 -11.204 1.00 0.00 N ATOM 1406 CA GLY A 89 78.810 7.889 -11.994 1.00 0.00 C ATOM 1407 C GLY A 89 78.261 6.745 -11.148 1.00 0.00 C ATOM 1408 O GLY A 89 77.201 6.869 -10.532 1.00 0.00 O ATOM 0 H GLY A 89 79.275 9.644 -10.938 1.00 0.00 H new ATOM 0 HA2 GLY A 89 77.985 8.477 -12.397 1.00 0.00 H new ATOM 0 HA3 GLY A 89 79.360 7.486 -12.845 1.00 0.00 H new ATOM 1412 N ALA A 90 78.991 5.632 -11.129 1.00 0.00 N ATOM 1413 CA ALA A 90 78.578 4.460 -10.362 1.00 0.00 C ATOM 1414 C ALA A 90 78.218 4.848 -8.929 1.00 0.00 C ATOM 1415 O ALA A 90 77.049 4.823 -8.545 1.00 0.00 O ATOM 1416 CB ALA A 90 79.710 3.431 -10.345 1.00 0.00 C ATOM 0 H ALA A 90 79.869 5.517 -11.635 1.00 0.00 H new ATOM 0 HA ALA A 90 77.696 4.030 -10.837 1.00 0.00 H new ATOM 0 HB1 ALA A 90 79.399 2.557 -9.772 1.00 0.00 H new ATOM 0 HB2 ALA A 90 79.944 3.131 -11.366 1.00 0.00 H new ATOM 0 HB3 ALA A 90 80.595 3.871 -9.885 1.00 0.00 H new ATOM 1422 N ALA A 91 79.232 5.204 -8.146 1.00 0.00 N ATOM 1423 CA ALA A 91 79.016 5.596 -6.757 1.00 0.00 C ATOM 1424 C ALA A 91 78.152 6.851 -6.677 1.00 0.00 C ATOM 1425 O ALA A 91 78.154 7.674 -7.592 1.00 0.00 O ATOM 1426 CB ALA A 91 80.362 5.860 -6.079 1.00 0.00 C ATOM 0 H ALA A 91 80.206 5.229 -8.447 1.00 0.00 H new ATOM 0 HA ALA A 91 78.500 4.783 -6.246 1.00 0.00 H new ATOM 0 HB1 ALA A 91 80.196 6.152 -5.042 1.00 0.00 H new ATOM 0 HB2 ALA A 91 80.968 4.954 -6.108 1.00 0.00 H new ATOM 0 HB3 ALA A 91 80.882 6.662 -6.603 1.00 0.00 H new ATOM 1432 N ASP A 92 77.416 6.989 -5.575 1.00 0.00 N ATOM 1433 CA ASP A 92 76.548 8.150 -5.375 1.00 0.00 C ATOM 1434 C ASP A 92 76.331 8.396 -3.881 1.00 0.00 C ATOM 1435 O ASP A 92 75.236 8.768 -3.454 1.00 0.00 O ATOM 1436 CB ASP A 92 75.194 7.920 -6.062 1.00 0.00 C ATOM 1437 CG ASP A 92 75.366 7.918 -7.581 1.00 0.00 C ATOM 1438 OD1 ASP A 92 75.649 8.972 -8.127 1.00 0.00 O ATOM 1439 OD2 ASP A 92 75.208 6.864 -8.174 1.00 0.00 O ATOM 0 H ASP A 92 77.403 6.315 -4.810 1.00 0.00 H new ATOM 0 HA ASP A 92 77.029 9.024 -5.814 1.00 0.00 H new ATOM 0 HB2 ASP A 92 74.769 6.971 -5.736 1.00 0.00 H new ATOM 0 HB3 ASP A 92 74.492 8.701 -5.769 1.00 0.00 H new ATOM 1444 N GLU A 93 77.384 8.175 -3.093 1.00 0.00 N ATOM 1445 CA GLU A 93 77.314 8.363 -1.642 1.00 0.00 C ATOM 1446 C GLU A 93 76.200 7.504 -1.043 1.00 0.00 C ATOM 1447 O GLU A 93 75.288 8.013 -0.391 1.00 0.00 O ATOM 1448 CB GLU A 93 77.070 9.840 -1.305 1.00 0.00 C ATOM 1449 CG GLU A 93 77.287 10.068 0.197 1.00 0.00 C ATOM 1450 CD GLU A 93 77.861 11.460 0.441 1.00 0.00 C ATOM 1451 OE1 GLU A 93 77.101 12.413 0.379 1.00 0.00 O ATOM 1452 OE2 GLU A 93 79.054 11.555 0.686 1.00 0.00 O ATOM 0 H GLU A 93 78.294 7.866 -3.434 1.00 0.00 H new ATOM 0 HA GLU A 93 78.267 8.054 -1.212 1.00 0.00 H new ATOM 0 HB2 GLU A 93 77.747 10.471 -1.880 1.00 0.00 H new ATOM 0 HB3 GLU A 93 76.055 10.124 -1.583 1.00 0.00 H new ATOM 0 HG2 GLU A 93 76.342 9.958 0.729 1.00 0.00 H new ATOM 0 HG3 GLU A 93 77.966 9.312 0.593 1.00 0.00 H new ATOM 1459 N GLU A 94 76.298 6.197 -1.272 1.00 0.00 N ATOM 1460 CA GLU A 94 75.316 5.238 -0.764 1.00 0.00 C ATOM 1461 C GLU A 94 75.507 3.899 -1.472 1.00 0.00 C ATOM 1462 O GLU A 94 76.226 3.026 -0.986 1.00 0.00 O ATOM 1463 CB GLU A 94 73.882 5.746 -0.993 1.00 0.00 C ATOM 1464 CG GLU A 94 73.239 6.107 0.351 1.00 0.00 C ATOM 1465 CD GLU A 94 72.745 4.843 1.049 1.00 0.00 C ATOM 1466 OE1 GLU A 94 71.624 4.440 0.778 1.00 0.00 O ATOM 1467 OE2 GLU A 94 73.492 4.296 1.843 1.00 0.00 O ATOM 0 H GLU A 94 77.054 5.773 -1.811 1.00 0.00 H new ATOM 0 HA GLU A 94 75.468 5.117 0.309 1.00 0.00 H new ATOM 0 HB2 GLU A 94 73.895 6.618 -1.646 1.00 0.00 H new ATOM 0 HB3 GLU A 94 73.291 4.980 -1.496 1.00 0.00 H new ATOM 0 HG2 GLU A 94 73.962 6.622 0.983 1.00 0.00 H new ATOM 0 HG3 GLU A 94 72.407 6.794 0.193 1.00 0.00 H new ATOM 1474 N GLU A 95 74.849 3.748 -2.620 1.00 0.00 N ATOM 1475 CA GLU A 95 74.940 2.517 -3.398 1.00 0.00 C ATOM 1476 C GLU A 95 76.395 2.082 -3.566 1.00 0.00 C ATOM 1477 O GLU A 95 76.682 0.890 -3.666 1.00 0.00 O ATOM 1478 CB GLU A 95 74.299 2.717 -4.777 1.00 0.00 C ATOM 1479 CG GLU A 95 74.867 3.978 -5.440 1.00 0.00 C ATOM 1480 CD GLU A 95 74.252 4.164 -6.824 1.00 0.00 C ATOM 1481 OE1 GLU A 95 74.716 3.518 -7.749 1.00 0.00 O ATOM 1482 OE2 GLU A 95 73.326 4.949 -6.938 1.00 0.00 O ATOM 0 H GLU A 95 74.248 4.463 -3.030 1.00 0.00 H new ATOM 0 HA GLU A 95 74.405 1.735 -2.859 1.00 0.00 H new ATOM 0 HB2 GLU A 95 74.490 1.848 -5.406 1.00 0.00 H new ATOM 0 HB3 GLU A 95 73.217 2.805 -4.675 1.00 0.00 H new ATOM 0 HG2 GLU A 95 74.658 4.850 -4.820 1.00 0.00 H new ATOM 0 HG3 GLU A 95 75.951 3.898 -5.523 1.00 0.00 H new ATOM 1489 N LEU A 96 77.304 3.060 -3.614 1.00 0.00 N ATOM 1490 CA LEU A 96 78.734 2.789 -3.788 1.00 0.00 C ATOM 1491 C LEU A 96 79.195 1.567 -2.988 1.00 0.00 C ATOM 1492 O LEU A 96 80.191 0.935 -3.340 1.00 0.00 O ATOM 1493 CB LEU A 96 79.546 4.038 -3.386 1.00 0.00 C ATOM 1494 CG LEU A 96 80.035 3.942 -1.932 1.00 0.00 C ATOM 1495 CD1 LEU A 96 81.051 5.054 -1.665 1.00 0.00 C ATOM 1496 CD2 LEU A 96 78.850 4.104 -0.977 1.00 0.00 C ATOM 0 H LEU A 96 77.074 4.050 -3.534 1.00 0.00 H new ATOM 0 HA LEU A 96 78.907 2.560 -4.840 1.00 0.00 H new ATOM 0 HB2 LEU A 96 80.401 4.149 -4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 96 78.930 4.929 -3.507 1.00 0.00 H new ATOM 0 HG LEU A 96 80.500 2.969 -1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 96 81.400 4.988 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 96 81.898 4.943 -2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 96 80.580 6.024 -1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 96 79.201 4.035 0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 96 78.384 5.076 -1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 96 78.121 3.316 -1.165 1.00 0.00 H new ATOM 1508 N ILE A 97 78.473 1.236 -1.920 1.00 0.00 N ATOM 1509 CA ILE A 97 78.830 0.087 -1.092 1.00 0.00 C ATOM 1510 C ILE A 97 78.191 -1.192 -1.633 1.00 0.00 C ATOM 1511 O ILE A 97 78.890 -2.123 -2.040 1.00 0.00 O ATOM 1512 CB ILE A 97 78.379 0.326 0.359 1.00 0.00 C ATOM 1513 CG1 ILE A 97 79.471 1.094 1.111 1.00 0.00 C ATOM 1514 CG2 ILE A 97 78.131 -1.011 1.067 1.00 0.00 C ATOM 1515 CD1 ILE A 97 78.827 2.100 2.067 1.00 0.00 C ATOM 0 H ILE A 97 77.644 1.742 -1.609 1.00 0.00 H new ATOM 0 HA ILE A 97 79.913 -0.032 -1.118 1.00 0.00 H new ATOM 0 HB ILE A 97 77.454 0.903 0.349 1.00 0.00 H new ATOM 0 HG12 ILE A 97 80.100 0.399 1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 97 80.118 1.613 0.403 1.00 0.00 H new ATOM 0 HG21 ILE A 97 77.812 -0.826 2.093 1.00 0.00 H new ATOM 0 HG22 ILE A 97 77.353 -1.563 0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 97 79.051 -1.596 1.073 1.00 0.00 H new ATOM 0 HD11 ILE A 97 79.606 2.645 2.601 1.00 0.00 H new ATOM 0 HD12 ILE A 97 78.217 2.802 1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 97 78.199 1.570 2.783 1.00 0.00 H new ATOM 1527 N ARG A 98 76.860 -1.233 -1.623 1.00 0.00 N ATOM 1528 CA ARG A 98 76.133 -2.408 -2.100 1.00 0.00 C ATOM 1529 C ARG A 98 76.387 -2.657 -3.583 1.00 0.00 C ATOM 1530 O ARG A 98 76.402 -3.803 -4.032 1.00 0.00 O ATOM 1531 CB ARG A 98 74.629 -2.232 -1.857 1.00 0.00 C ATOM 1532 CG ARG A 98 74.134 -0.956 -2.546 1.00 0.00 C ATOM 1533 CD ARG A 98 72.664 -0.717 -2.191 1.00 0.00 C ATOM 1534 NE ARG A 98 71.831 -1.778 -2.746 1.00 0.00 N ATOM 1535 CZ ARG A 98 70.554 -1.568 -3.056 1.00 0.00 C ATOM 1536 NH1 ARG A 98 69.856 -0.685 -2.395 1.00 0.00 N ATOM 1537 NH2 ARG A 98 69.998 -2.247 -4.021 1.00 0.00 N ATOM 0 H ARG A 98 76.266 -0.472 -1.292 1.00 0.00 H new ATOM 0 HA ARG A 98 76.495 -3.272 -1.542 1.00 0.00 H new ATOM 0 HB2 ARG A 98 74.087 -3.096 -2.240 1.00 0.00 H new ATOM 0 HB3 ARG A 98 74.429 -2.179 -0.787 1.00 0.00 H new ATOM 0 HG2 ARG A 98 74.737 -0.104 -2.232 1.00 0.00 H new ATOM 0 HG3 ARG A 98 74.247 -1.047 -3.626 1.00 0.00 H new ATOM 0 HD2 ARG A 98 72.545 -0.681 -1.108 1.00 0.00 H new ATOM 0 HD3 ARG A 98 72.341 0.249 -2.579 1.00 0.00 H new ATOM 0 HE ARG A 98 72.236 -2.701 -2.900 1.00 0.00 H new ATOM 0 HH11 ARG A 98 70.289 -0.154 -1.639 1.00 0.00 H new ATOM 0 HH12 ARG A 98 68.877 -0.526 -2.634 1.00 0.00 H new ATOM 0 HH21 ARG A 98 70.542 -2.938 -4.537 1.00 0.00 H new ATOM 0 HH22 ARG A 98 69.019 -2.087 -4.259 1.00 0.00 H new ATOM 1551 N LYS A 99 76.587 -1.583 -4.343 1.00 0.00 N ATOM 1552 CA LYS A 99 76.839 -1.716 -5.772 1.00 0.00 C ATOM 1553 C LYS A 99 78.263 -2.200 -6.020 1.00 0.00 C ATOM 1554 O LYS A 99 78.522 -2.879 -7.006 1.00 0.00 O ATOM 1555 CB LYS A 99 76.597 -0.379 -6.487 1.00 0.00 C ATOM 1556 CG LYS A 99 77.893 0.444 -6.537 1.00 0.00 C ATOM 1557 CD LYS A 99 77.624 1.790 -7.220 1.00 0.00 C ATOM 1558 CE LYS A 99 77.178 1.559 -8.668 1.00 0.00 C ATOM 1559 NZ LYS A 99 78.151 0.663 -9.356 1.00 0.00 N ATOM 0 H LYS A 99 76.579 -0.623 -3.997 1.00 0.00 H new ATOM 0 HA LYS A 99 76.147 -2.455 -6.176 1.00 0.00 H new ATOM 0 HB2 LYS A 99 76.235 -0.561 -7.499 1.00 0.00 H new ATOM 0 HB3 LYS A 99 75.821 0.183 -5.967 1.00 0.00 H new ATOM 0 HG2 LYS A 99 78.271 0.607 -5.528 1.00 0.00 H new ATOM 0 HG3 LYS A 99 78.662 -0.104 -7.081 1.00 0.00 H new ATOM 0 HD2 LYS A 99 76.854 2.337 -6.676 1.00 0.00 H new ATOM 0 HD3 LYS A 99 78.524 2.404 -7.201 1.00 0.00 H new ATOM 0 HE2 LYS A 99 76.183 1.114 -8.686 1.00 0.00 H new ATOM 0 HE3 LYS A 99 77.110 2.511 -9.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 78.240 0.947 -10.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 79.079 0.736 -8.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 77.814 -0.320 -9.305 1.00 0.00 H new ATOM 1573 N ALA A 100 79.170 -1.872 -5.099 1.00 0.00 N ATOM 1574 CA ALA A 100 80.560 -2.301 -5.209 1.00 0.00 C ATOM 1575 C ALA A 100 80.655 -3.782 -4.881 1.00 0.00 C ATOM 1576 O ALA A 100 81.551 -4.485 -5.350 1.00 0.00 O ATOM 1577 CB ALA A 100 81.438 -1.502 -4.243 1.00 0.00 C ATOM 0 H ALA A 100 78.965 -1.312 -4.271 1.00 0.00 H new ATOM 0 HA ALA A 100 80.909 -2.126 -6.227 1.00 0.00 H new ATOM 0 HB1 ALA A 100 82.473 -1.832 -4.335 1.00 0.00 H new ATOM 0 HB2 ALA A 100 81.372 -0.441 -4.484 1.00 0.00 H new ATOM 0 HB3 ALA A 100 81.095 -1.664 -3.221 1.00 0.00 H new ATOM 1583 N ILE A 101 79.690 -4.251 -4.095 1.00 0.00 N ATOM 1584 CA ILE A 101 79.626 -5.655 -3.726 1.00 0.00 C ATOM 1585 C ILE A 101 79.020 -6.431 -4.892 1.00 0.00 C ATOM 1586 O ILE A 101 79.340 -7.596 -5.126 1.00 0.00 O ATOM 1587 CB ILE A 101 78.766 -5.826 -2.464 1.00 0.00 C ATOM 1588 CG1 ILE A 101 79.518 -5.247 -1.255 1.00 0.00 C ATOM 1589 CG2 ILE A 101 78.483 -7.313 -2.224 1.00 0.00 C ATOM 1590 CD1 ILE A 101 78.520 -4.713 -0.222 1.00 0.00 C ATOM 0 H ILE A 101 78.944 -3.677 -3.703 1.00 0.00 H new ATOM 0 HA ILE A 101 80.625 -6.034 -3.511 1.00 0.00 H new ATOM 0 HB ILE A 101 77.821 -5.299 -2.597 1.00 0.00 H new ATOM 0 HG12 ILE A 101 80.144 -6.017 -0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 101 80.182 -4.446 -1.579 1.00 0.00 H new ATOM 0 HG21 ILE A 101 77.873 -7.427 -1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 101 77.950 -7.725 -3.081 1.00 0.00 H new ATOM 0 HG23 ILE A 101 79.425 -7.846 -2.092 1.00 0.00 H new ATOM 0 HD11 ILE A 101 79.062 -4.305 0.631 1.00 0.00 H new ATOM 0 HD12 ILE A 101 77.912 -3.929 -0.674 1.00 0.00 H new ATOM 0 HD13 ILE A 101 77.874 -5.525 0.113 1.00 0.00 H new ATOM 1602 N GLU A 102 78.131 -5.753 -5.611 1.00 0.00 N ATOM 1603 CA GLU A 102 77.448 -6.336 -6.759 1.00 0.00 C ATOM 1604 C GLU A 102 78.216 -6.078 -8.057 1.00 0.00 C ATOM 1605 O GLU A 102 77.869 -6.620 -9.107 1.00 0.00 O ATOM 1606 CB GLU A 102 76.044 -5.734 -6.876 1.00 0.00 C ATOM 1607 CG GLU A 102 75.017 -6.854 -7.040 1.00 0.00 C ATOM 1608 CD GLU A 102 73.613 -6.265 -7.132 1.00 0.00 C ATOM 1609 OE1 GLU A 102 73.059 -5.938 -6.094 1.00 0.00 O ATOM 1610 OE2 GLU A 102 73.112 -6.147 -8.239 1.00 0.00 O ATOM 0 H GLU A 102 77.865 -4.788 -5.415 1.00 0.00 H new ATOM 0 HA GLU A 102 77.387 -7.413 -6.605 1.00 0.00 H new ATOM 0 HB2 GLU A 102 75.815 -5.144 -5.988 1.00 0.00 H new ATOM 0 HB3 GLU A 102 75.998 -5.057 -7.729 1.00 0.00 H new ATOM 0 HG2 GLU A 102 75.237 -7.432 -7.937 1.00 0.00 H new ATOM 0 HG3 GLU A 102 75.078 -7.541 -6.196 1.00 0.00 H new ATOM 1617 N LEU A 103 79.231 -5.220 -7.995 1.00 0.00 N ATOM 1618 CA LEU A 103 79.998 -4.885 -9.194 1.00 0.00 C ATOM 1619 C LEU A 103 81.249 -5.754 -9.343 1.00 0.00 C ATOM 1620 O LEU A 103 81.311 -6.619 -10.217 1.00 0.00 O ATOM 1621 CB LEU A 103 80.414 -3.406 -9.134 1.00 0.00 C ATOM 1622 CG LEU A 103 79.624 -2.577 -10.159 1.00 0.00 C ATOM 1623 CD1 LEU A 103 80.173 -2.835 -11.566 1.00 0.00 C ATOM 1624 CD2 LEU A 103 78.134 -2.949 -10.115 1.00 0.00 C ATOM 0 H LEU A 103 79.539 -4.750 -7.143 1.00 0.00 H new ATOM 0 HA LEU A 103 79.359 -5.072 -10.057 1.00 0.00 H new ATOM 0 HB2 LEU A 103 80.241 -3.015 -8.131 1.00 0.00 H new ATOM 0 HB3 LEU A 103 81.482 -3.315 -9.331 1.00 0.00 H new ATOM 0 HG LEU A 103 79.732 -1.521 -9.911 1.00 0.00 H new ATOM 0 HD11 LEU A 103 79.610 -2.246 -12.290 1.00 0.00 H new ATOM 0 HD12 LEU A 103 81.224 -2.550 -11.604 1.00 0.00 H new ATOM 0 HD13 LEU A 103 80.075 -3.894 -11.806 1.00 0.00 H new ATOM 0 HD21 LEU A 103 77.588 -2.353 -10.847 1.00 0.00 H new ATOM 0 HD22 LEU A 103 78.016 -4.007 -10.348 1.00 0.00 H new ATOM 0 HD23 LEU A 103 77.739 -2.751 -9.119 1.00 0.00 H new ATOM 1636 N SER A 104 82.252 -5.488 -8.512 1.00 0.00 N ATOM 1637 CA SER A 104 83.522 -6.213 -8.581 1.00 0.00 C ATOM 1638 C SER A 104 83.632 -7.336 -7.548 1.00 0.00 C ATOM 1639 O SER A 104 84.586 -8.115 -7.585 1.00 0.00 O ATOM 1640 CB SER A 104 84.678 -5.232 -8.386 1.00 0.00 C ATOM 1641 OG SER A 104 84.625 -4.694 -7.071 1.00 0.00 O ATOM 0 H SER A 104 82.213 -4.776 -7.782 1.00 0.00 H new ATOM 0 HA SER A 104 83.568 -6.679 -9.565 1.00 0.00 H new ATOM 0 HB2 SER A 104 85.630 -5.739 -8.545 1.00 0.00 H new ATOM 0 HB3 SER A 104 84.617 -4.430 -9.122 1.00 0.00 H new ATOM 0 HG SER A 104 85.263 -3.954 -6.994 1.00 0.00 H new ATOM 1647 N LEU A 105 82.692 -7.407 -6.608 1.00 0.00 N ATOM 1648 CA LEU A 105 82.755 -8.431 -5.565 1.00 0.00 C ATOM 1649 C LEU A 105 81.974 -9.685 -5.948 1.00 0.00 C ATOM 1650 O LEU A 105 82.473 -10.802 -5.804 1.00 0.00 O ATOM 1651 CB LEU A 105 82.198 -7.860 -4.262 1.00 0.00 C ATOM 1652 CG LEU A 105 83.102 -8.240 -3.088 1.00 0.00 C ATOM 1653 CD1 LEU A 105 83.325 -9.757 -3.070 1.00 0.00 C ATOM 1654 CD2 LEU A 105 84.450 -7.520 -3.215 1.00 0.00 C ATOM 0 H LEU A 105 81.890 -6.780 -6.545 1.00 0.00 H new ATOM 0 HA LEU A 105 83.799 -8.717 -5.439 1.00 0.00 H new ATOM 0 HB2 LEU A 105 82.122 -6.775 -4.335 1.00 0.00 H new ATOM 0 HB3 LEU A 105 81.190 -8.239 -4.092 1.00 0.00 H new ATOM 0 HG LEU A 105 82.621 -7.939 -2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 105 83.970 -10.020 -2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 105 82.366 -10.264 -2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 105 83.798 -10.066 -4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 105 85.090 -7.794 -2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 105 84.931 -7.811 -4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 105 84.289 -6.442 -3.211 1.00 0.00 H new ATOM 1666 N LYS A 106 80.747 -9.500 -6.425 1.00 0.00 N ATOM 1667 CA LYS A 106 79.916 -10.636 -6.808 1.00 0.00 C ATOM 1668 C LYS A 106 80.557 -11.413 -7.953 1.00 0.00 C ATOM 1669 O LYS A 106 80.295 -12.602 -8.132 1.00 0.00 O ATOM 1670 CB LYS A 106 78.517 -10.158 -7.211 1.00 0.00 C ATOM 1671 CG LYS A 106 78.558 -9.474 -8.582 1.00 0.00 C ATOM 1672 CD LYS A 106 78.232 -10.490 -9.683 1.00 0.00 C ATOM 1673 CE LYS A 106 77.797 -9.751 -10.952 1.00 0.00 C ATOM 1674 NZ LYS A 106 76.513 -9.037 -10.699 1.00 0.00 N ATOM 0 H LYS A 106 80.311 -8.587 -6.554 1.00 0.00 H new ATOM 0 HA LYS A 106 79.828 -11.301 -5.949 1.00 0.00 H new ATOM 0 HB2 LYS A 106 77.831 -11.005 -7.241 1.00 0.00 H new ATOM 0 HB3 LYS A 106 78.134 -9.464 -6.463 1.00 0.00 H new ATOM 0 HG2 LYS A 106 77.842 -8.653 -8.610 1.00 0.00 H new ATOM 0 HG3 LYS A 106 79.544 -9.043 -8.754 1.00 0.00 H new ATOM 0 HD2 LYS A 106 79.105 -11.108 -9.891 1.00 0.00 H new ATOM 0 HD3 LYS A 106 77.439 -11.160 -9.350 1.00 0.00 H new ATOM 0 HE2 LYS A 106 78.567 -9.040 -11.253 1.00 0.00 H new ATOM 0 HE3 LYS A 106 77.676 -10.457 -11.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 76.000 -8.917 -11.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 75.932 -9.592 -10.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 76.711 -8.103 -10.286 1.00 0.00 H new ATOM 1688 N GLU A 107 81.409 -10.733 -8.719 1.00 0.00 N ATOM 1689 CA GLU A 107 82.094 -11.370 -9.837 1.00 0.00 C ATOM 1690 C GLU A 107 82.948 -12.529 -9.335 1.00 0.00 C ATOM 1691 O GLU A 107 83.086 -13.551 -10.008 1.00 0.00 O ATOM 1692 CB GLU A 107 82.979 -10.349 -10.558 1.00 0.00 C ATOM 1693 CG GLU A 107 82.202 -9.730 -11.724 1.00 0.00 C ATOM 1694 CD GLU A 107 83.065 -8.691 -12.437 1.00 0.00 C ATOM 1695 OE1 GLU A 107 84.085 -9.073 -12.987 1.00 0.00 O ATOM 1696 OE2 GLU A 107 82.691 -7.530 -12.424 1.00 0.00 O ATOM 0 H GLU A 107 81.639 -9.748 -8.586 1.00 0.00 H new ATOM 0 HA GLU A 107 81.349 -11.753 -10.534 1.00 0.00 H new ATOM 0 HB2 GLU A 107 83.294 -9.570 -9.863 1.00 0.00 H new ATOM 0 HB3 GLU A 107 83.884 -10.832 -10.926 1.00 0.00 H new ATOM 0 HG2 GLU A 107 81.902 -10.509 -12.426 1.00 0.00 H new ATOM 0 HG3 GLU A 107 81.288 -9.264 -11.356 1.00 0.00 H new ATOM 1703 N SER A 108 83.511 -12.359 -8.140 1.00 0.00 N ATOM 1704 CA SER A 108 84.346 -13.393 -7.539 1.00 0.00 C ATOM 1705 C SER A 108 83.482 -14.538 -7.020 1.00 0.00 C ATOM 1706 O SER A 108 83.832 -15.708 -7.171 1.00 0.00 O ATOM 1707 CB SER A 108 85.158 -12.798 -6.386 1.00 0.00 C ATOM 1708 OG SER A 108 86.066 -13.777 -5.895 1.00 0.00 O ATOM 0 H SER A 108 83.404 -11.518 -7.572 1.00 0.00 H new ATOM 0 HA SER A 108 85.025 -13.780 -8.299 1.00 0.00 H new ATOM 0 HB2 SER A 108 85.704 -11.918 -6.727 1.00 0.00 H new ATOM 0 HB3 SER A 108 84.492 -12.471 -5.588 1.00 0.00 H new ATOM 0 HG SER A 108 86.588 -13.398 -5.158 1.00 0.00 H new ATOM 1714 N ARG A 109 82.350 -14.190 -6.409 1.00 0.00 N ATOM 1715 CA ARG A 109 81.440 -15.198 -5.872 1.00 0.00 C ATOM 1716 C ARG A 109 80.786 -15.983 -7.005 1.00 0.00 C ATOM 1717 O ARG A 109 80.592 -17.195 -6.902 1.00 0.00 O ATOM 1718 CB ARG A 109 80.357 -14.532 -5.012 1.00 0.00 C ATOM 1719 CG ARG A 109 80.077 -15.396 -3.776 1.00 0.00 C ATOM 1720 CD ARG A 109 78.590 -15.319 -3.410 1.00 0.00 C ATOM 1721 NE ARG A 109 77.901 -16.534 -3.834 1.00 0.00 N ATOM 1722 CZ ARG A 109 77.250 -16.591 -4.991 1.00 0.00 C ATOM 1723 NH1 ARG A 109 77.916 -16.646 -6.112 1.00 0.00 N ATOM 1724 NH2 ARG A 109 75.945 -16.593 -5.006 1.00 0.00 N ATOM 0 H ARG A 109 82.044 -13.226 -6.275 1.00 0.00 H new ATOM 0 HA ARG A 109 82.016 -15.885 -5.252 1.00 0.00 H new ATOM 0 HB2 ARG A 109 80.682 -13.537 -4.707 1.00 0.00 H new ATOM 0 HB3 ARG A 109 79.444 -14.405 -5.594 1.00 0.00 H new ATOM 0 HG2 ARG A 109 80.359 -16.430 -3.973 1.00 0.00 H new ATOM 0 HG3 ARG A 109 80.685 -15.055 -2.938 1.00 0.00 H new ATOM 0 HD2 ARG A 109 78.480 -15.187 -2.334 1.00 0.00 H new ATOM 0 HD3 ARG A 109 78.136 -14.450 -3.886 1.00 0.00 H new ATOM 0 HE ARG A 109 77.920 -17.356 -3.230 1.00 0.00 H new ATOM 0 HH11 ARG A 109 78.936 -16.645 -6.100 1.00 0.00 H new ATOM 0 HH12 ARG A 109 77.417 -16.690 -7.000 1.00 0.00 H new ATOM 0 HH21 ARG A 109 75.425 -16.551 -4.130 1.00 0.00 H new ATOM 0 HH22 ARG A 109 75.445 -16.637 -5.894 1.00 0.00 H new ATOM 1738 N ASN A 110 80.451 -15.281 -8.087 1.00 0.00 N ATOM 1739 CA ASN A 110 79.824 -15.918 -9.239 1.00 0.00 C ATOM 1740 C ASN A 110 80.688 -17.071 -9.741 1.00 0.00 C ATOM 1741 O ASN A 110 80.204 -18.187 -9.931 1.00 0.00 O ATOM 1742 CB ASN A 110 79.630 -14.892 -10.361 1.00 0.00 C ATOM 1743 CG ASN A 110 78.909 -15.537 -11.542 1.00 0.00 C ATOM 1744 OD1 ASN A 110 77.689 -15.425 -11.662 1.00 0.00 O ATOM 1745 ND2 ASN A 110 79.595 -16.209 -12.426 1.00 0.00 N ATOM 0 H ASN A 110 80.603 -14.277 -8.188 1.00 0.00 H new ATOM 0 HA ASN A 110 78.853 -16.309 -8.936 1.00 0.00 H new ATOM 0 HB2 ASN A 110 79.054 -14.043 -9.993 1.00 0.00 H new ATOM 0 HB3 ASN A 110 80.597 -14.505 -10.682 1.00 0.00 H new ATOM 0 HD21 ASN A 110 79.120 -16.642 -13.218 1.00 0.00 H new ATOM 0 HD22 ASN A 110 80.606 -16.301 -12.325 1.00 0.00 H new ATOM 1752 N SER A 111 81.973 -16.789 -9.943 1.00 0.00 N ATOM 1753 CA SER A 111 82.908 -17.806 -10.410 1.00 0.00 C ATOM 1754 C SER A 111 83.319 -18.714 -9.256 1.00 0.00 C ATOM 1755 O SER A 111 83.877 -19.791 -9.468 1.00 0.00 O ATOM 1756 CB SER A 111 84.147 -17.140 -11.009 1.00 0.00 C ATOM 1757 OG SER A 111 84.696 -16.232 -10.062 1.00 0.00 O ATOM 0 H SER A 111 82.388 -15.870 -9.791 1.00 0.00 H new ATOM 0 HA SER A 111 82.418 -18.407 -11.176 1.00 0.00 H new ATOM 0 HB2 SER A 111 84.886 -17.895 -11.277 1.00 0.00 H new ATOM 0 HB3 SER A 111 83.883 -16.612 -11.926 1.00 0.00 H new ATOM 0 HG SER A 111 84.259 -15.360 -10.154 1.00 0.00 H new ATOM 1763 N GLY A 112 83.033 -18.267 -8.034 1.00 0.00 N ATOM 1764 CA GLY A 112 83.371 -19.039 -6.844 1.00 0.00 C ATOM 1765 C GLY A 112 82.560 -20.327 -6.784 1.00 0.00 C ATOM 1766 O GLY A 112 83.005 -21.323 -6.210 1.00 0.00 O ATOM 0 H GLY A 112 82.570 -17.378 -7.845 1.00 0.00 H new ATOM 0 HA2 GLY A 112 84.435 -19.274 -6.848 1.00 0.00 H new ATOM 0 HA3 GLY A 112 83.180 -18.442 -5.952 1.00 0.00 H new ATOM 1770 N GLY A 113 81.370 -20.304 -7.385 1.00 0.00 N ATOM 1771 CA GLY A 113 80.504 -21.479 -7.398 1.00 0.00 C ATOM 1772 C GLY A 113 81.273 -22.708 -7.871 1.00 0.00 C ATOM 1773 O GLY A 113 81.274 -23.746 -7.207 1.00 0.00 O ATOM 0 H GLY A 113 80.987 -19.490 -7.866 1.00 0.00 H new ATOM 0 HA2 GLY A 113 80.106 -21.655 -6.399 1.00 0.00 H new ATOM 0 HA3 GLY A 113 79.652 -21.302 -8.054 1.00 0.00 H new ATOM 1777 N TYR A 114 81.934 -22.579 -9.018 1.00 0.00 N ATOM 1778 CA TYR A 114 82.717 -23.679 -9.572 1.00 0.00 C ATOM 1779 C TYR A 114 84.070 -23.771 -8.863 1.00 0.00 C ATOM 1780 O TYR A 114 84.692 -22.737 -8.680 1.00 0.00 O ATOM 1781 CB TYR A 114 82.920 -23.464 -11.081 1.00 0.00 C ATOM 1782 CG TYR A 114 84.228 -24.084 -11.527 1.00 0.00 C ATOM 1783 CD1 TYR A 114 84.354 -25.477 -11.611 1.00 0.00 C ATOM 1784 CD2 TYR A 114 85.316 -23.262 -11.851 1.00 0.00 C ATOM 1785 CE1 TYR A 114 85.567 -26.046 -12.018 1.00 0.00 C ATOM 1786 CE2 TYR A 114 86.527 -23.833 -12.258 1.00 0.00 C ATOM 1787 CZ TYR A 114 86.652 -25.225 -12.341 1.00 0.00 C ATOM 1788 OH TYR A 114 87.847 -25.787 -12.743 1.00 0.00 O ATOM 1789 OXT TYR A 114 84.461 -24.873 -8.514 1.00 0.00 O ATOM 0 H TYR A 114 81.943 -21.728 -9.580 1.00 0.00 H new ATOM 0 HA TYR A 114 82.179 -24.614 -9.417 1.00 0.00 H new ATOM 0 HB2 TYR A 114 82.092 -23.908 -11.633 1.00 0.00 H new ATOM 0 HB3 TYR A 114 82.919 -22.398 -11.307 1.00 0.00 H new ATOM 0 HD1 TYR A 114 83.516 -26.111 -11.362 1.00 0.00 H new ATOM 0 HD2 TYR A 114 85.220 -22.188 -11.787 1.00 0.00 H new ATOM 0 HE1 TYR A 114 85.665 -27.120 -12.083 1.00 0.00 H new ATOM 0 HE2 TYR A 114 87.365 -23.200 -12.508 1.00 0.00 H new ATOM 0 HH TYR A 114 88.496 -25.077 -12.930 1.00 0.00 H new TER 1799 TYR A 114