USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 653 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 38 SER OG : rot 12:sc= -1.38! USER MOD Set 1.2: A 69 GLN : amide:sc= -0.55 K(o=-1.9,f=-3.8!) USER MOD Single : A 19 LYS NZ :NH3+ -166:sc= 0.00681 (180deg=2.84e-06) USER MOD Single : A 25 LYS NZ :NH3+ -175:sc= -2.79! (180deg=-2.88!) USER MOD Single : A 26 GLN : amide:sc= -0.0712 X(o=-0.071,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 41:sc= -3.34! USER MOD Single : A 51 ASN : amide:sc= -4.16! C(o=-4.2!,f=-1.6!) USER MOD Single : A 52 MET CE :methyl 150:sc= -4.28! (180deg=-8.57!) USER MOD Single : A 53 MET CE :methyl 152:sc= -0.562 (180deg=-1.76!) USER MOD Single : A 54 HIS : no HE2:sc= 0.604 K(o=0.6,f=-2.3!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -58:sc= 0.234 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.566 X(o=-0.57,f=-0.084) USER MOD Single : A 71 MET CE :methyl 176:sc= -2.3 (180deg=-2.52) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -9.87! C(o=-9.9!,f=-7.8!) USER MOD Single : A 76 THR OG1 : rot 80:sc= 0.145 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0.0283 USER MOD Single : A 85 THR OG1 : rot -160:sc=0.000974 USER MOD Single : A 86 CYS SG : rot 70:sc= 0.492 USER MOD Single : A 87 GLN : amide:sc= -3.37! K(o=-3.4!,f=-1.7) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.17) USER MOD Single : A 96 GLN : amide:sc= -3.4 K(o=-3.4,f=-2) USER MOD Single : A 97 SER OG : rot 1:sc= 2.1 USER MOD Single : A 100 LYS NZ :NH3+ 134:sc= 0.82 (180deg=-0.525!) USER MOD Single : A 102 ASN : amide:sc= 0.302 K(o=0.3,f=0.84) USER MOD ----------------------------------------------------------------- ATOM 16 N PHE A 18 -1.356 -4.896 -10.751 1.00 0.00 N ATOM 17 CA PHE A 18 -0.187 -4.085 -10.429 1.00 0.00 C ATOM 18 C PHE A 18 -0.541 -2.605 -10.532 1.00 0.00 C ATOM 19 O PHE A 18 -1.395 -2.224 -11.333 1.00 0.00 O ATOM 20 CB PHE A 18 0.969 -4.424 -11.373 1.00 0.00 C ATOM 21 CG PHE A 18 2.005 -5.316 -10.753 1.00 0.00 C ATOM 22 CD1 PHE A 18 3.025 -4.781 -9.984 1.00 0.00 C ATOM 23 CD2 PHE A 18 1.959 -6.690 -10.939 1.00 0.00 C ATOM 24 CE1 PHE A 18 3.982 -5.595 -9.411 1.00 0.00 C ATOM 25 CE2 PHE A 18 2.915 -7.510 -10.367 1.00 0.00 C ATOM 26 CZ PHE A 18 3.927 -6.962 -9.603 1.00 0.00 C ATOM 0 HA PHE A 18 0.127 -4.303 -9.408 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.570 -4.908 -12.264 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.445 -3.499 -11.699 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.073 -3.713 -9.830 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.170 -7.123 -11.536 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.772 -5.164 -8.814 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.870 -8.578 -10.518 1.00 0.00 H new ATOM 0 HZ PHE A 18 4.674 -7.601 -9.156 1.00 0.00 H new ATOM 36 N LYS A 19 0.093 -1.771 -9.713 1.00 0.00 N ATOM 37 CA LYS A 19 -0.203 -0.344 -9.730 1.00 0.00 C ATOM 38 C LYS A 19 1.018 0.516 -9.400 1.00 0.00 C ATOM 39 O LYS A 19 1.499 0.516 -8.267 1.00 0.00 O ATOM 40 CB LYS A 19 -1.326 -0.042 -8.733 1.00 0.00 C ATOM 41 CG LYS A 19 -2.626 0.384 -9.392 1.00 0.00 C ATOM 42 CD LYS A 19 -3.834 -0.153 -8.642 1.00 0.00 C ATOM 43 CE LYS A 19 -5.080 0.667 -8.933 1.00 0.00 C ATOM 44 NZ LYS A 19 -6.056 0.611 -7.810 1.00 0.00 N ATOM 0 H LYS A 19 0.805 -2.054 -9.039 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.513 -0.090 -10.744 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.510 -0.929 -8.126 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.997 0.746 -8.055 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.675 1.472 -9.431 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.647 0.026 -10.421 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.007 -1.192 -8.924 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.633 -0.143 -7.571 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.798 1.704 -9.117 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.553 0.299 -9.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.976 0.975 -8.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.165 -0.374 -7.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.710 1.192 -7.020 1.00 0.00 H new ATOM 58 N ASP A 20 1.478 1.285 -10.385 1.00 0.00 N ATOM 59 CA ASP A 20 2.606 2.191 -10.185 1.00 0.00 C ATOM 60 C ASP A 20 2.120 3.406 -9.408 1.00 0.00 C ATOM 61 O ASP A 20 1.937 4.486 -9.967 1.00 0.00 O ATOM 62 CB ASP A 20 3.198 2.626 -11.528 1.00 0.00 C ATOM 63 CG ASP A 20 3.350 1.471 -12.498 1.00 0.00 C ATOM 64 OD1 ASP A 20 4.369 0.754 -12.412 1.00 0.00 O ATOM 65 OD2 ASP A 20 2.449 1.280 -13.342 1.00 0.00 O ATOM 0 H ASP A 20 1.088 1.299 -11.327 1.00 0.00 H new ATOM 0 HA ASP A 20 3.388 1.678 -9.626 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.558 3.388 -11.973 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.172 3.086 -11.360 1.00 0.00 H new ATOM 70 N VAL A 21 1.880 3.205 -8.118 1.00 0.00 N ATOM 71 CA VAL A 21 1.378 4.265 -7.260 1.00 0.00 C ATOM 72 C VAL A 21 2.350 5.429 -7.174 1.00 0.00 C ATOM 73 O VAL A 21 3.519 5.259 -6.825 1.00 0.00 O ATOM 74 CB VAL A 21 1.083 3.748 -5.839 1.00 0.00 C ATOM 75 CG1 VAL A 21 0.486 4.853 -4.976 1.00 0.00 C ATOM 76 CG2 VAL A 21 0.149 2.549 -5.893 1.00 0.00 C ATOM 0 H VAL A 21 2.026 2.314 -7.644 1.00 0.00 H new ATOM 0 HA VAL A 21 0.450 4.614 -7.714 1.00 0.00 H new ATOM 0 HB VAL A 21 2.024 3.434 -5.387 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.285 4.466 -3.977 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.190 5.683 -4.909 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.445 5.202 -5.424 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.049 2.196 -4.881 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.789 2.840 -6.366 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.615 1.751 -6.471 1.00 0.00 H new ATOM 86 N PHE A 22 1.844 6.617 -7.471 1.00 0.00 N ATOM 87 CA PHE A 22 2.647 7.824 -7.406 1.00 0.00 C ATOM 88 C PHE A 22 2.064 8.772 -6.371 1.00 0.00 C ATOM 89 O PHE A 22 1.047 9.422 -6.616 1.00 0.00 O ATOM 90 CB PHE A 22 2.698 8.514 -8.773 1.00 0.00 C ATOM 91 CG PHE A 22 4.034 9.119 -9.109 1.00 0.00 C ATOM 92 CD1 PHE A 22 5.022 9.266 -8.144 1.00 0.00 C ATOM 93 CD2 PHE A 22 4.306 9.537 -10.403 1.00 0.00 C ATOM 94 CE1 PHE A 22 6.246 9.810 -8.465 1.00 0.00 C ATOM 95 CE2 PHE A 22 5.530 10.085 -10.726 1.00 0.00 C ATOM 96 CZ PHE A 22 6.500 10.220 -9.754 1.00 0.00 C ATOM 0 H PHE A 22 0.878 6.769 -7.760 1.00 0.00 H new ATOM 0 HA PHE A 22 3.662 7.552 -7.118 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.436 7.789 -9.543 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.940 9.297 -8.801 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.828 8.950 -7.130 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.550 9.432 -11.167 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.006 9.915 -7.705 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.729 10.408 -11.737 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.459 10.648 -10.005 1.00 0.00 H new ATOM 106 N ILE A 23 2.701 8.846 -5.212 1.00 0.00 N ATOM 107 CA ILE A 23 2.225 9.713 -4.148 1.00 0.00 C ATOM 108 C ILE A 23 3.019 11.006 -4.104 1.00 0.00 C ATOM 109 O ILE A 23 4.149 11.039 -3.619 1.00 0.00 O ATOM 110 CB ILE A 23 2.310 9.018 -2.779 1.00 0.00 C ATOM 111 CG1 ILE A 23 1.695 7.620 -2.868 1.00 0.00 C ATOM 112 CG2 ILE A 23 1.618 9.852 -1.712 1.00 0.00 C ATOM 113 CD1 ILE A 23 0.195 7.623 -3.067 1.00 0.00 C ATOM 0 H ILE A 23 3.544 8.319 -4.986 1.00 0.00 H new ATOM 0 HA ILE A 23 1.181 9.940 -4.363 1.00 0.00 H new ATOM 0 HB ILE A 23 3.358 8.919 -2.495 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.160 7.081 -3.693 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.930 7.071 -1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.689 9.344 -0.750 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.100 10.827 -1.643 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.569 9.983 -1.977 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.167 6.596 -3.120 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.282 8.133 -2.230 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.048 8.142 -3.994 1.00 0.00 H new ATOM 125 N GLU A 24 2.409 12.068 -4.609 1.00 0.00 N ATOM 126 CA GLU A 24 3.040 13.381 -4.634 1.00 0.00 C ATOM 127 C GLU A 24 2.603 14.199 -3.425 1.00 0.00 C ATOM 128 O GLU A 24 1.449 14.612 -3.329 1.00 0.00 O ATOM 129 CB GLU A 24 2.670 14.117 -5.925 1.00 0.00 C ATOM 130 CG GLU A 24 3.823 14.901 -6.535 1.00 0.00 C ATOM 131 CD GLU A 24 3.623 16.401 -6.444 1.00 0.00 C ATOM 132 OE1 GLU A 24 2.864 16.950 -7.270 1.00 0.00 O ATOM 133 OE2 GLU A 24 4.224 17.026 -5.545 1.00 0.00 O ATOM 0 H GLU A 24 1.471 12.046 -5.010 1.00 0.00 H new ATOM 0 HA GLU A 24 4.122 13.250 -4.598 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.309 13.393 -6.655 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.846 14.800 -5.720 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.749 14.631 -6.028 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.937 14.617 -7.581 1.00 0.00 H new ATOM 140 N LYS A 25 3.527 14.422 -2.497 1.00 0.00 N ATOM 141 CA LYS A 25 3.222 15.185 -1.292 1.00 0.00 C ATOM 142 C LYS A 25 4.225 16.314 -1.088 1.00 0.00 C ATOM 143 O LYS A 25 5.034 16.606 -1.969 1.00 0.00 O ATOM 144 CB LYS A 25 3.205 14.259 -0.070 1.00 0.00 C ATOM 145 CG LYS A 25 4.521 13.535 0.173 1.00 0.00 C ATOM 146 CD LYS A 25 4.296 12.084 0.569 1.00 0.00 C ATOM 147 CE LYS A 25 5.507 11.224 0.249 1.00 0.00 C ATOM 148 NZ LYS A 25 5.430 9.888 0.901 1.00 0.00 N ATOM 0 H LYS A 25 4.489 14.087 -2.555 1.00 0.00 H new ATOM 0 HA LYS A 25 2.235 15.630 -1.413 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.955 14.845 0.814 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.413 13.521 -0.197 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.132 13.576 -0.729 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.078 14.045 0.959 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.080 12.027 1.636 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.423 11.694 0.045 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.586 11.097 -0.831 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.412 11.736 0.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.312 9.365 0.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.295 10.009 1.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.629 9.355 0.507 1.00 0.00 H new ATOM 162 N GLN A 26 4.166 16.947 0.077 1.00 0.00 N ATOM 163 CA GLN A 26 5.072 18.043 0.397 1.00 0.00 C ATOM 164 C GLN A 26 6.163 17.574 1.352 1.00 0.00 C ATOM 165 O GLN A 26 5.896 16.829 2.294 1.00 0.00 O ATOM 166 CB GLN A 26 4.299 19.209 1.018 1.00 0.00 C ATOM 167 CG GLN A 26 3.731 20.176 -0.007 1.00 0.00 C ATOM 168 CD GLN A 26 2.296 19.860 -0.376 1.00 0.00 C ATOM 169 OE1 GLN A 26 1.359 20.439 0.175 1.00 0.00 O ATOM 170 NE2 GLN A 26 2.115 18.937 -1.314 1.00 0.00 N ATOM 0 H GLN A 26 3.500 16.720 0.816 1.00 0.00 H new ATOM 0 HA GLN A 26 5.539 18.382 -0.528 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.483 18.812 1.622 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.960 19.754 1.692 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.785 21.191 0.387 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.347 20.150 -0.906 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.920 18.482 -1.744 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.171 18.683 -1.604 1.00 0.00 H new ATOM 179 N LYS A 27 7.393 18.014 1.102 1.00 0.00 N ATOM 180 CA LYS A 27 8.527 17.637 1.941 1.00 0.00 C ATOM 181 C LYS A 27 8.188 17.810 3.418 1.00 0.00 C ATOM 182 O LYS A 27 7.777 18.886 3.853 1.00 0.00 O ATOM 183 CB LYS A 27 9.759 18.465 1.572 1.00 0.00 C ATOM 184 CG LYS A 27 10.903 17.633 1.018 1.00 0.00 C ATOM 185 CD LYS A 27 10.835 17.532 -0.497 1.00 0.00 C ATOM 186 CE LYS A 27 12.118 16.963 -1.080 1.00 0.00 C ATOM 187 NZ LYS A 27 12.810 17.940 -1.963 1.00 0.00 N ATOM 0 H LYS A 27 7.630 18.632 0.326 1.00 0.00 H new ATOM 0 HA LYS A 27 8.750 16.585 1.765 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.475 19.215 0.834 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.105 19.001 2.456 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.854 18.078 1.312 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.871 16.634 1.452 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.994 16.900 -0.782 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.650 18.519 -0.920 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.786 16.670 -0.270 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.890 16.060 -1.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.680 17.512 -2.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.183 18.201 -2.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.051 18.791 -1.417 1.00 0.00 H new ATOM 201 N GLY A 28 8.345 16.734 4.175 1.00 0.00 N ATOM 202 CA GLY A 28 8.033 16.763 5.587 1.00 0.00 C ATOM 203 C GLY A 28 6.716 16.070 5.880 1.00 0.00 C ATOM 204 O GLY A 28 6.167 16.198 6.975 1.00 0.00 O ATOM 0 H GLY A 28 8.686 15.836 3.832 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.833 16.279 6.147 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.985 17.797 5.929 1.00 0.00 H new ATOM 208 N GLU A 29 6.209 15.335 4.891 1.00 0.00 N ATOM 209 CA GLU A 29 4.944 14.619 5.040 1.00 0.00 C ATOM 210 C GLU A 29 5.085 13.155 4.633 1.00 0.00 C ATOM 211 O GLU A 29 5.541 12.848 3.530 1.00 0.00 O ATOM 212 CB GLU A 29 3.856 15.289 4.200 1.00 0.00 C ATOM 213 CG GLU A 29 3.786 16.796 4.383 1.00 0.00 C ATOM 214 CD GLU A 29 2.900 17.202 5.547 1.00 0.00 C ATOM 215 OE1 GLU A 29 2.677 16.362 6.443 1.00 0.00 O ATOM 216 OE2 GLU A 29 2.431 18.359 5.559 1.00 0.00 O ATOM 0 H GLU A 29 6.654 15.220 3.980 1.00 0.00 H new ATOM 0 HA GLU A 29 4.661 14.655 6.092 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.033 15.067 3.148 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.890 14.855 4.459 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.791 17.186 4.543 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.409 17.252 3.468 1.00 0.00 H new ATOM 223 N ILE A 30 4.687 12.253 5.528 1.00 0.00 N ATOM 224 CA ILE A 30 4.765 10.827 5.261 1.00 0.00 C ATOM 225 C ILE A 30 3.596 10.366 4.395 1.00 0.00 C ATOM 226 O ILE A 30 2.527 10.973 4.407 1.00 0.00 O ATOM 227 CB ILE A 30 4.788 10.017 6.572 1.00 0.00 C ATOM 228 CG1 ILE A 30 3.442 10.121 7.285 1.00 0.00 C ATOM 229 CG2 ILE A 30 5.915 10.498 7.473 1.00 0.00 C ATOM 230 CD1 ILE A 30 2.823 8.778 7.614 1.00 0.00 C ATOM 0 H ILE A 30 4.307 12.490 6.445 1.00 0.00 H new ATOM 0 HA ILE A 30 5.695 10.649 4.721 1.00 0.00 H new ATOM 0 HB ILE A 30 4.967 8.969 6.332 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.572 10.687 8.207 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.752 10.686 6.659 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.918 9.916 8.395 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.869 10.372 6.961 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.767 11.552 7.710 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.869 8.931 8.119 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.660 8.217 6.694 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.493 8.218 8.266 1.00 0.00 H new ATOM 242 N LEU A 31 3.807 9.286 3.650 1.00 0.00 N ATOM 243 CA LEU A 31 2.772 8.737 2.776 1.00 0.00 C ATOM 244 C LEU A 31 1.440 8.615 3.512 1.00 0.00 C ATOM 245 O LEU A 31 0.411 9.100 3.042 1.00 0.00 O ATOM 246 CB LEU A 31 3.206 7.368 2.248 1.00 0.00 C ATOM 247 CG LEU A 31 2.948 7.135 0.758 1.00 0.00 C ATOM 248 CD1 LEU A 31 4.185 6.558 0.086 1.00 0.00 C ATOM 249 CD2 LEU A 31 1.753 6.212 0.560 1.00 0.00 C ATOM 0 H LEU A 31 4.687 8.771 3.633 1.00 0.00 H new ATOM 0 HA LEU A 31 2.636 9.420 1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.272 7.243 2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.687 6.596 2.816 1.00 0.00 H new ATOM 0 HG LEU A 31 2.721 8.095 0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.983 6.399 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.017 7.254 0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.443 5.607 0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.585 6.058 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.951 5.253 1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.867 6.664 1.006 1.00 0.00 H new ATOM 261 N GLY A 32 1.469 7.967 4.673 1.00 0.00 N ATOM 262 CA GLY A 32 0.260 7.800 5.456 1.00 0.00 C ATOM 263 C GLY A 32 -0.306 6.393 5.387 1.00 0.00 C ATOM 264 O GLY A 32 -1.341 6.110 5.987 1.00 0.00 O ATOM 0 H GLY A 32 2.307 7.556 5.084 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.471 8.050 6.496 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.493 8.506 5.105 1.00 0.00 H new ATOM 268 N VAL A 33 0.367 5.505 4.661 1.00 0.00 N ATOM 269 CA VAL A 33 -0.098 4.128 4.535 1.00 0.00 C ATOM 270 C VAL A 33 0.570 3.226 5.562 1.00 0.00 C ATOM 271 O VAL A 33 1.796 3.137 5.627 1.00 0.00 O ATOM 272 CB VAL A 33 0.159 3.553 3.130 1.00 0.00 C ATOM 273 CG1 VAL A 33 -0.779 4.179 2.112 1.00 0.00 C ATOM 274 CG2 VAL A 33 1.613 3.745 2.726 1.00 0.00 C ATOM 0 H VAL A 33 1.228 5.712 4.155 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.173 4.154 4.711 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.042 2.482 3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.580 3.758 1.127 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.812 3.972 2.393 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.620 5.257 2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.772 3.331 1.730 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.851 4.809 2.719 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.259 3.233 3.439 1.00 0.00 H new ATOM 284 N VAL A 34 -0.249 2.552 6.359 1.00 0.00 N ATOM 285 CA VAL A 34 0.251 1.647 7.381 1.00 0.00 C ATOM 286 C VAL A 34 0.177 0.204 6.897 1.00 0.00 C ATOM 287 O VAL A 34 -0.886 -0.417 6.929 1.00 0.00 O ATOM 288 CB VAL A 34 -0.546 1.791 8.691 1.00 0.00 C ATOM 289 CG1 VAL A 34 -0.019 0.836 9.751 1.00 0.00 C ATOM 290 CG2 VAL A 34 -0.495 3.228 9.184 1.00 0.00 C ATOM 0 H VAL A 34 -1.266 2.617 6.315 1.00 0.00 H new ATOM 0 HA VAL A 34 1.291 1.911 7.575 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.586 1.531 8.493 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.597 0.955 10.668 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.111 -0.190 9.395 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.029 1.058 9.951 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.062 3.315 10.111 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.541 3.514 9.365 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.927 3.887 8.431 1.00 0.00 H new ATOM 300 N ILE A 35 1.309 -0.324 6.444 1.00 0.00 N ATOM 301 CA ILE A 35 1.348 -1.694 5.953 1.00 0.00 C ATOM 302 C ILE A 35 1.804 -2.666 7.033 1.00 0.00 C ATOM 303 O ILE A 35 2.688 -2.360 7.831 1.00 0.00 O ATOM 304 CB ILE A 35 2.263 -1.860 4.718 1.00 0.00 C ATOM 305 CG1 ILE A 35 3.528 -1.004 4.826 1.00 0.00 C ATOM 306 CG2 ILE A 35 1.502 -1.515 3.448 1.00 0.00 C ATOM 307 CD1 ILE A 35 4.436 -1.377 5.977 1.00 0.00 C ATOM 0 H ILE A 35 2.201 0.170 6.407 1.00 0.00 H new ATOM 0 HA ILE A 35 0.324 -1.925 5.660 1.00 0.00 H new ATOM 0 HB ILE A 35 2.574 -2.904 4.678 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.089 -1.086 3.895 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.237 0.041 4.932 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.158 -1.636 2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.644 -2.179 3.347 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.158 -0.482 3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.307 -0.722 5.980 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.896 -1.267 6.917 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.760 -2.412 5.864 1.00 0.00 H new ATOM 319 N VAL A 36 1.200 -3.848 7.036 1.00 0.00 N ATOM 320 CA VAL A 36 1.548 -4.884 7.998 1.00 0.00 C ATOM 321 C VAL A 36 2.081 -6.114 7.275 1.00 0.00 C ATOM 322 O VAL A 36 1.969 -6.216 6.056 1.00 0.00 O ATOM 323 CB VAL A 36 0.346 -5.290 8.876 1.00 0.00 C ATOM 324 CG1 VAL A 36 0.227 -4.367 10.079 1.00 0.00 C ATOM 325 CG2 VAL A 36 -0.942 -5.289 8.068 1.00 0.00 C ATOM 0 H VAL A 36 0.465 -4.113 6.380 1.00 0.00 H new ATOM 0 HA VAL A 36 2.317 -4.470 8.650 1.00 0.00 H new ATOM 0 HB VAL A 36 0.516 -6.304 9.237 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.626 -4.669 10.686 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.137 -4.428 10.676 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.085 -3.341 9.738 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.774 -5.579 8.710 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.121 -4.290 7.670 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.855 -5.998 7.244 1.00 0.00 H new ATOM 335 N GLU A 37 2.667 -7.039 8.021 1.00 0.00 N ATOM 336 CA GLU A 37 3.222 -8.247 7.427 1.00 0.00 C ATOM 337 C GLU A 37 2.118 -9.157 6.889 1.00 0.00 C ATOM 338 O GLU A 37 1.423 -9.825 7.655 1.00 0.00 O ATOM 339 CB GLU A 37 4.071 -9.002 8.455 1.00 0.00 C ATOM 340 CG GLU A 37 5.531 -9.135 8.058 1.00 0.00 C ATOM 341 CD GLU A 37 6.208 -10.325 8.709 1.00 0.00 C ATOM 342 OE1 GLU A 37 5.765 -10.731 9.805 1.00 0.00 O ATOM 343 OE2 GLU A 37 7.177 -10.851 8.124 1.00 0.00 O ATOM 0 H GLU A 37 2.770 -6.977 9.034 1.00 0.00 H new ATOM 0 HA GLU A 37 3.854 -7.950 6.590 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.009 -8.487 9.413 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.651 -9.997 8.600 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.601 -9.230 6.974 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.063 -8.224 8.333 1.00 0.00 H new ATOM 350 N SER A 38 1.969 -9.186 5.565 1.00 0.00 N ATOM 351 CA SER A 38 0.956 -10.023 4.926 1.00 0.00 C ATOM 352 C SER A 38 1.259 -11.500 5.161 1.00 0.00 C ATOM 353 O SER A 38 2.344 -11.979 4.833 1.00 0.00 O ATOM 354 CB SER A 38 0.897 -9.730 3.426 1.00 0.00 C ATOM 355 OG SER A 38 1.894 -10.449 2.726 1.00 0.00 O ATOM 0 H SER A 38 2.536 -8.641 4.916 1.00 0.00 H new ATOM 0 HA SER A 38 -0.013 -9.792 5.368 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.087 -9.996 3.039 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.028 -8.661 3.256 1.00 0.00 H new ATOM 0 HG SER A 38 2.292 -11.119 3.320 1.00 0.00 H new ATOM 448 N PRO A 45 4.311 -12.639 0.066 1.00 0.00 N ATOM 449 CA PRO A 45 4.283 -11.876 1.319 1.00 0.00 C ATOM 450 C PRO A 45 5.254 -10.701 1.324 1.00 0.00 C ATOM 451 O PRO A 45 6.340 -10.776 0.750 1.00 0.00 O ATOM 452 CB PRO A 45 4.692 -12.907 2.371 1.00 0.00 C ATOM 453 CG PRO A 45 5.515 -13.901 1.627 1.00 0.00 C ATOM 454 CD PRO A 45 4.935 -13.966 0.242 1.00 0.00 C ATOM 0 HA PRO A 45 3.305 -11.427 1.491 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.262 -12.445 3.177 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.820 -13.376 2.826 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.561 -13.597 1.598 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.480 -14.877 2.111 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.705 -14.150 -0.507 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.203 -14.769 0.151 1.00 0.00 H new ATOM 462 N THR A 46 4.857 -9.616 1.988 1.00 0.00 N ATOM 463 CA THR A 46 5.696 -8.427 2.081 1.00 0.00 C ATOM 464 C THR A 46 5.067 -7.372 2.992 1.00 0.00 C ATOM 465 O THR A 46 5.621 -7.040 4.040 1.00 0.00 O ATOM 466 CB THR A 46 5.960 -7.832 0.692 1.00 0.00 C ATOM 467 OG1 THR A 46 6.421 -6.495 0.795 1.00 0.00 O ATOM 468 CG2 THR A 46 4.745 -7.822 -0.211 1.00 0.00 C ATOM 0 H THR A 46 3.960 -9.538 2.468 1.00 0.00 H new ATOM 0 HA THR A 46 6.647 -8.733 2.517 1.00 0.00 H new ATOM 0 HB THR A 46 6.713 -8.483 0.249 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.058 -6.425 1.537 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.011 -7.387 -1.174 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.393 -8.843 -0.359 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.955 -7.229 0.249 1.00 0.00 H new ATOM 476 N VAL A 47 3.917 -6.837 2.588 1.00 0.00 N ATOM 477 CA VAL A 47 3.238 -5.813 3.379 1.00 0.00 C ATOM 478 C VAL A 47 1.763 -5.687 2.997 1.00 0.00 C ATOM 479 O VAL A 47 1.349 -6.112 1.919 1.00 0.00 O ATOM 480 CB VAL A 47 3.918 -4.435 3.225 1.00 0.00 C ATOM 481 CG1 VAL A 47 4.726 -4.105 4.470 1.00 0.00 C ATOM 482 CG2 VAL A 47 4.801 -4.392 1.984 1.00 0.00 C ATOM 0 H VAL A 47 3.439 -7.093 1.724 1.00 0.00 H new ATOM 0 HA VAL A 47 3.308 -6.133 4.419 1.00 0.00 H new ATOM 0 HB VAL A 47 3.138 -3.683 3.104 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.200 -3.131 4.348 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.065 -4.081 5.337 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.492 -4.866 4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.266 -3.410 1.902 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.576 -5.155 2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.194 -4.581 1.099 1.00 0.00 H new ATOM 492 N ILE A 48 0.977 -5.086 3.892 1.00 0.00 N ATOM 493 CA ILE A 48 -0.453 -4.886 3.655 1.00 0.00 C ATOM 494 C ILE A 48 -0.912 -3.544 4.203 1.00 0.00 C ATOM 495 O ILE A 48 -0.910 -3.346 5.414 1.00 0.00 O ATOM 496 CB ILE A 48 -1.343 -5.961 4.327 1.00 0.00 C ATOM 497 CG1 ILE A 48 -0.562 -7.216 4.717 1.00 0.00 C ATOM 498 CG2 ILE A 48 -2.505 -6.321 3.423 1.00 0.00 C ATOM 499 CD1 ILE A 48 -0.907 -7.698 6.111 1.00 0.00 C ATOM 0 H ILE A 48 1.307 -4.729 4.789 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.567 -4.945 2.573 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.723 -5.526 5.251 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.771 -8.009 3.999 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.507 -7.008 4.661 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.122 -7.077 3.908 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.105 -5.432 3.230 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.124 -6.713 2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.326 -8.591 6.341 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.673 -6.917 6.834 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.970 -7.933 6.162 1.00 0.00 H new ATOM 511 N ILE A 49 -1.338 -2.640 3.323 1.00 0.00 N ATOM 512 CA ILE A 49 -1.835 -1.339 3.761 1.00 0.00 C ATOM 513 C ILE A 49 -3.054 -1.538 4.653 1.00 0.00 C ATOM 514 O ILE A 49 -4.188 -1.278 4.253 1.00 0.00 O ATOM 515 CB ILE A 49 -2.216 -0.436 2.569 1.00 0.00 C ATOM 516 CG1 ILE A 49 -0.998 -0.192 1.677 1.00 0.00 C ATOM 517 CG2 ILE A 49 -2.794 0.889 3.059 1.00 0.00 C ATOM 518 CD1 ILE A 49 -1.359 0.228 0.270 1.00 0.00 C ATOM 0 H ILE A 49 -1.349 -2.783 2.313 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.035 -0.845 4.312 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.981 -0.945 1.982 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.374 0.579 2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.400 -1.102 1.634 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.056 1.511 2.203 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.686 0.698 3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.053 1.406 3.669 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.448 0.384 -0.308 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.958 -0.552 -0.200 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.932 1.155 0.303 1.00 0.00 H new ATOM 530 N ALA A 50 -2.806 -2.022 5.864 1.00 0.00 N ATOM 531 CA ALA A 50 -3.868 -2.280 6.817 1.00 0.00 C ATOM 532 C ALA A 50 -4.728 -1.038 7.019 1.00 0.00 C ATOM 533 O ALA A 50 -5.925 -1.133 7.290 1.00 0.00 O ATOM 534 CB ALA A 50 -3.278 -2.751 8.136 1.00 0.00 C ATOM 0 H ALA A 50 -1.871 -2.244 6.207 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.509 -3.067 6.421 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.082 -2.943 8.846 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.711 -3.668 7.974 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.617 -1.981 8.535 1.00 0.00 H new ATOM 540 N ASN A 51 -4.102 0.124 6.880 1.00 0.00 N ATOM 541 CA ASN A 51 -4.793 1.392 7.038 1.00 0.00 C ATOM 542 C ASN A 51 -4.086 2.474 6.225 1.00 0.00 C ATOM 543 O ASN A 51 -2.972 2.272 5.739 1.00 0.00 O ATOM 544 CB ASN A 51 -4.871 1.762 8.531 1.00 0.00 C ATOM 545 CG ASN A 51 -4.710 3.247 8.804 1.00 0.00 C ATOM 546 OD1 ASN A 51 -5.665 3.931 9.172 1.00 0.00 O ATOM 547 ND2 ASN A 51 -3.495 3.749 8.624 1.00 0.00 N ATOM 0 H ASN A 51 -3.111 0.211 6.657 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.812 1.305 6.661 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.831 1.431 8.928 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.097 1.217 9.072 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.323 4.740 8.792 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.733 3.144 8.318 1.00 0.00 H new ATOM 554 N MET A 52 -4.744 3.614 6.072 1.00 0.00 N ATOM 555 CA MET A 52 -4.188 4.720 5.310 1.00 0.00 C ATOM 556 C MET A 52 -4.783 6.050 5.772 1.00 0.00 C ATOM 557 O MET A 52 -6.001 6.196 5.867 1.00 0.00 O ATOM 558 CB MET A 52 -4.453 4.499 3.826 1.00 0.00 C ATOM 559 CG MET A 52 -4.121 5.697 2.955 1.00 0.00 C ATOM 560 SD MET A 52 -4.462 5.401 1.208 1.00 0.00 S ATOM 561 CE MET A 52 -5.848 4.274 1.325 1.00 0.00 C ATOM 0 H MET A 52 -5.666 3.796 6.467 1.00 0.00 H new ATOM 0 HA MET A 52 -3.112 4.761 5.478 1.00 0.00 H new ATOM 0 HB2 MET A 52 -3.870 3.643 3.487 1.00 0.00 H new ATOM 0 HB3 MET A 52 -5.504 4.243 3.689 1.00 0.00 H new ATOM 0 HG2 MET A 52 -4.697 6.558 3.293 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.068 5.950 3.078 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.495 4.401 0.457 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.481 3.248 1.357 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.414 4.486 2.232 1.00 0.00 H new ATOM 571 N MET A 53 -3.913 7.013 6.062 1.00 0.00 N ATOM 572 CA MET A 53 -4.347 8.330 6.519 1.00 0.00 C ATOM 573 C MET A 53 -5.349 8.945 5.547 1.00 0.00 C ATOM 574 O MET A 53 -4.966 9.513 4.524 1.00 0.00 O ATOM 575 CB MET A 53 -3.141 9.258 6.682 1.00 0.00 C ATOM 576 CG MET A 53 -3.192 10.106 7.943 1.00 0.00 C ATOM 577 SD MET A 53 -2.760 9.172 9.424 1.00 0.00 S ATOM 578 CE MET A 53 -1.167 8.503 8.949 1.00 0.00 C ATOM 0 H MET A 53 -2.901 6.906 5.989 1.00 0.00 H new ATOM 0 HA MET A 53 -4.837 8.207 7.485 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.231 8.659 6.694 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.079 9.915 5.815 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.509 10.949 7.837 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.194 10.520 8.058 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.559 8.344 9.840 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.310 7.554 8.433 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.661 9.204 8.285 1.00 0.00 H new ATOM 588 N HIS A 54 -6.632 8.829 5.875 1.00 0.00 N ATOM 589 CA HIS A 54 -7.692 9.374 5.033 1.00 0.00 C ATOM 590 C HIS A 54 -7.433 10.843 4.711 1.00 0.00 C ATOM 591 O HIS A 54 -7.286 11.670 5.610 1.00 0.00 O ATOM 592 CB HIS A 54 -9.048 9.224 5.723 1.00 0.00 C ATOM 593 CG HIS A 54 -9.340 7.823 6.167 1.00 0.00 C ATOM 594 ND1 HIS A 54 -9.097 6.718 5.379 1.00 0.00 N ATOM 595 CD2 HIS A 54 -9.857 7.350 7.327 1.00 0.00 C ATOM 596 CE1 HIS A 54 -9.452 5.626 6.033 1.00 0.00 C ATOM 597 NE2 HIS A 54 -9.916 5.983 7.217 1.00 0.00 N ATOM 0 H HIS A 54 -6.963 8.362 6.719 1.00 0.00 H new ATOM 0 HA HIS A 54 -7.702 8.813 4.099 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.082 9.886 6.589 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -9.832 9.552 5.041 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -8.704 6.740 4.438 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -10.165 7.938 8.179 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -9.376 4.614 5.663 1.00 0.00 H new ATOM 606 N GLY A 55 -7.374 11.159 3.421 1.00 0.00 N ATOM 607 CA GLY A 55 -7.129 12.526 3.003 1.00 0.00 C ATOM 608 C GLY A 55 -5.653 12.876 3.011 1.00 0.00 C ATOM 609 O GLY A 55 -5.286 14.049 3.075 1.00 0.00 O ATOM 0 H GLY A 55 -7.492 10.492 2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.530 12.674 2.000 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.665 13.207 3.664 1.00 0.00 H new ATOM 613 N GLY A 56 -4.804 11.854 2.944 1.00 0.00 N ATOM 614 CA GLY A 56 -3.371 12.078 2.945 1.00 0.00 C ATOM 615 C GLY A 56 -2.737 11.772 1.600 1.00 0.00 C ATOM 616 O GLY A 56 -3.444 11.556 0.617 1.00 0.00 O ATOM 0 H GLY A 56 -5.084 10.875 2.889 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.168 13.115 3.212 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.909 11.456 3.711 1.00 0.00 H new ATOM 620 N PRO A 57 -1.396 11.748 1.525 1.00 0.00 N ATOM 621 CA PRO A 57 -0.678 11.466 0.277 1.00 0.00 C ATOM 622 C PRO A 57 -1.133 10.167 -0.382 1.00 0.00 C ATOM 623 O PRO A 57 -1.391 10.130 -1.585 1.00 0.00 O ATOM 624 CB PRO A 57 0.781 11.359 0.725 1.00 0.00 C ATOM 625 CG PRO A 57 0.853 12.173 1.969 1.00 0.00 C ATOM 626 CD PRO A 57 -0.475 11.999 2.649 1.00 0.00 C ATOM 0 HA PRO A 57 -0.853 12.236 -0.474 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.063 10.323 0.912 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.459 11.741 -0.038 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.668 11.836 2.610 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.041 13.222 1.740 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.462 11.167 3.353 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.759 12.888 3.212 1.00 0.00 H new ATOM 634 N ALA A 58 -1.224 9.103 0.408 1.00 0.00 N ATOM 635 CA ALA A 58 -1.640 7.806 -0.102 1.00 0.00 C ATOM 636 C ALA A 58 -3.027 7.874 -0.733 1.00 0.00 C ATOM 637 O ALA A 58 -3.232 7.405 -1.853 1.00 0.00 O ATOM 638 CB ALA A 58 -1.624 6.772 1.009 1.00 0.00 C ATOM 0 H ALA A 58 -1.014 9.116 1.406 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.931 7.511 -0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.938 5.807 0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.615 6.688 1.413 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.308 7.078 1.801 1.00 0.00 H new ATOM 644 N GLU A 59 -3.976 8.462 -0.012 1.00 0.00 N ATOM 645 CA GLU A 59 -5.340 8.589 -0.511 1.00 0.00 C ATOM 646 C GLU A 59 -5.407 9.642 -1.605 1.00 0.00 C ATOM 647 O GLU A 59 -6.235 9.568 -2.512 1.00 0.00 O ATOM 648 CB GLU A 59 -6.307 8.965 0.615 1.00 0.00 C ATOM 649 CG GLU A 59 -6.025 8.270 1.936 1.00 0.00 C ATOM 650 CD GLU A 59 -6.956 7.101 2.190 1.00 0.00 C ATOM 651 OE1 GLU A 59 -7.544 6.588 1.216 1.00 0.00 O ATOM 652 OE2 GLU A 59 -7.096 6.699 3.363 1.00 0.00 O ATOM 0 H GLU A 59 -3.826 8.857 0.917 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.635 7.622 -0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.266 10.043 0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.323 8.726 0.301 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.994 7.917 1.944 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.121 8.990 2.749 1.00 0.00 H new ATOM 659 N LYS A 60 -4.531 10.628 -1.495 1.00 0.00 N ATOM 660 CA LYS A 60 -4.474 11.720 -2.454 1.00 0.00 C ATOM 661 C LYS A 60 -4.288 11.195 -3.874 1.00 0.00 C ATOM 662 O LYS A 60 -5.004 11.592 -4.794 1.00 0.00 O ATOM 663 CB LYS A 60 -3.335 12.680 -2.099 1.00 0.00 C ATOM 664 CG LYS A 60 -3.797 13.923 -1.356 1.00 0.00 C ATOM 665 CD LYS A 60 -3.080 15.171 -1.851 1.00 0.00 C ATOM 666 CE LYS A 60 -2.370 15.896 -0.719 1.00 0.00 C ATOM 667 NZ LYS A 60 -3.128 17.094 -0.264 1.00 0.00 N ATOM 0 H LYS A 60 -3.844 10.694 -0.744 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.422 12.257 -2.408 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.603 12.152 -1.487 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.827 12.982 -3.015 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.872 14.046 -1.484 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.616 13.798 -0.288 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.356 14.895 -2.618 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.799 15.843 -2.319 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.233 15.213 0.120 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.376 16.199 -1.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.610 17.560 0.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.237 17.758 -1.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.067 16.803 0.075 1.00 0.00 H new ATOM 681 N SER A 61 -3.324 10.295 -4.043 1.00 0.00 N ATOM 682 CA SER A 61 -3.042 9.711 -5.346 1.00 0.00 C ATOM 683 C SER A 61 -4.290 9.057 -5.929 1.00 0.00 C ATOM 684 O SER A 61 -4.546 9.143 -7.130 1.00 0.00 O ATOM 685 CB SER A 61 -1.922 8.678 -5.230 1.00 0.00 C ATOM 686 OG SER A 61 -2.317 7.584 -4.421 1.00 0.00 O ATOM 0 H SER A 61 -2.725 9.955 -3.291 1.00 0.00 H new ATOM 0 HA SER A 61 -2.725 10.511 -6.015 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.649 8.320 -6.223 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.034 9.146 -4.805 1.00 0.00 H new ATOM 0 HG SER A 61 -2.575 7.910 -3.533 1.00 0.00 H new ATOM 692 N GLY A 62 -5.057 8.400 -5.069 1.00 0.00 N ATOM 693 CA GLY A 62 -6.266 7.733 -5.513 1.00 0.00 C ATOM 694 C GLY A 62 -5.991 6.350 -6.066 1.00 0.00 C ATOM 695 O GLY A 62 -6.816 5.784 -6.784 1.00 0.00 O ATOM 0 H GLY A 62 -4.864 8.317 -4.071 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.963 7.656 -4.678 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.751 8.338 -6.279 1.00 0.00 H new ATOM 699 N LYS A 63 -4.826 5.803 -5.733 1.00 0.00 N ATOM 700 CA LYS A 63 -4.441 4.476 -6.199 1.00 0.00 C ATOM 701 C LYS A 63 -4.437 3.482 -5.048 1.00 0.00 C ATOM 702 O LYS A 63 -5.075 2.430 -5.117 1.00 0.00 O ATOM 703 CB LYS A 63 -3.050 4.505 -6.840 1.00 0.00 C ATOM 704 CG LYS A 63 -2.711 5.811 -7.546 1.00 0.00 C ATOM 705 CD LYS A 63 -3.254 5.834 -8.965 1.00 0.00 C ATOM 706 CE LYS A 63 -4.609 6.516 -9.030 1.00 0.00 C ATOM 707 NZ LYS A 63 -4.765 7.322 -10.273 1.00 0.00 N ATOM 0 H LYS A 63 -4.132 6.259 -5.141 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.173 4.164 -6.944 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.303 4.319 -6.068 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.977 3.688 -7.558 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.125 6.648 -6.983 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.629 5.944 -7.567 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.552 6.354 -9.616 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.340 4.814 -9.340 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.397 5.764 -8.983 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.733 7.162 -8.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.703 7.772 -10.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.029 8.056 -10.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.672 6.702 -11.103 1.00 0.00 H new ATOM 721 N LEU A 64 -3.702 3.818 -3.994 1.00 0.00 N ATOM 722 CA LEU A 64 -3.598 2.951 -2.832 1.00 0.00 C ATOM 723 C LEU A 64 -4.883 2.941 -2.021 1.00 0.00 C ATOM 724 O LEU A 64 -5.405 3.987 -1.637 1.00 0.00 O ATOM 725 CB LEU A 64 -2.431 3.380 -1.942 1.00 0.00 C ATOM 726 CG LEU A 64 -1.045 3.014 -2.470 1.00 0.00 C ATOM 727 CD1 LEU A 64 0.010 3.234 -1.397 1.00 0.00 C ATOM 728 CD2 LEU A 64 -1.015 1.573 -2.957 1.00 0.00 C ATOM 0 H LEU A 64 -3.170 4.685 -3.923 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.419 1.940 -3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.477 4.460 -1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.559 2.928 -0.958 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.821 3.665 -3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.991 2.968 -1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.011 4.282 -1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.215 2.610 -0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.018 1.335 -3.328 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.264 0.905 -2.132 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.741 1.445 -3.760 1.00 0.00 H new ATOM 740 N ASN A 65 -5.372 1.740 -1.760 1.00 0.00 N ATOM 741 CA ASN A 65 -6.588 1.554 -0.980 1.00 0.00 C ATOM 742 C ASN A 65 -6.350 0.521 0.114 1.00 0.00 C ATOM 743 O ASN A 65 -5.889 -0.587 -0.165 1.00 0.00 O ATOM 744 CB ASN A 65 -7.744 1.106 -1.881 1.00 0.00 C ATOM 745 CG ASN A 65 -7.751 1.819 -3.221 1.00 0.00 C ATOM 746 OD1 ASN A 65 -8.153 2.977 -3.318 1.00 0.00 O ATOM 747 ND2 ASN A 65 -7.303 1.125 -4.261 1.00 0.00 N ATOM 0 H ASN A 65 -4.943 0.872 -2.079 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.856 2.506 -0.522 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.675 0.031 -2.046 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.690 1.290 -1.371 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.283 1.551 -5.188 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.979 0.166 -4.133 1.00 0.00 H new ATOM 754 N ILE A 66 -6.655 0.891 1.360 1.00 0.00 N ATOM 755 CA ILE A 66 -6.469 0.003 2.507 1.00 0.00 C ATOM 756 C ILE A 66 -6.639 -1.468 2.120 1.00 0.00 C ATOM 757 O ILE A 66 -7.730 -1.907 1.756 1.00 0.00 O ATOM 758 CB ILE A 66 -7.443 0.366 3.642 1.00 0.00 C ATOM 759 CG1 ILE A 66 -6.945 1.622 4.353 1.00 0.00 C ATOM 760 CG2 ILE A 66 -7.587 -0.784 4.631 1.00 0.00 C ATOM 761 CD1 ILE A 66 -7.766 1.997 5.558 1.00 0.00 C ATOM 0 H ILE A 66 -7.035 1.807 1.600 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.447 0.142 2.859 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.427 0.557 3.213 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.911 1.469 4.661 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.948 2.454 3.648 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.281 -0.499 5.422 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.969 -1.664 4.113 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.615 -1.013 5.067 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.354 2.898 6.013 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -8.796 2.182 5.253 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -7.743 1.182 6.282 1.00 0.00 H new ATOM 773 N GLY A 67 -5.542 -2.214 2.192 1.00 0.00 N ATOM 774 CA GLY A 67 -5.568 -3.621 1.836 1.00 0.00 C ATOM 775 C GLY A 67 -4.740 -3.912 0.597 1.00 0.00 C ATOM 776 O GLY A 67 -4.732 -5.037 0.097 1.00 0.00 O ATOM 0 H GLY A 67 -4.631 -1.867 2.492 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.191 -4.213 2.670 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.598 -3.932 1.664 1.00 0.00 H new ATOM 780 N ASP A 68 -4.043 -2.892 0.099 1.00 0.00 N ATOM 781 CA ASP A 68 -3.207 -3.034 -1.086 1.00 0.00 C ATOM 782 C ASP A 68 -1.876 -3.691 -0.736 1.00 0.00 C ATOM 783 O ASP A 68 -1.119 -3.183 0.091 1.00 0.00 O ATOM 784 CB ASP A 68 -2.983 -1.666 -1.727 1.00 0.00 C ATOM 785 CG ASP A 68 -4.025 -1.350 -2.783 1.00 0.00 C ATOM 786 OD1 ASP A 68 -4.688 -2.292 -3.266 1.00 0.00 O ATOM 787 OD2 ASP A 68 -4.177 -0.159 -3.128 1.00 0.00 O ATOM 0 H ASP A 68 -4.043 -1.955 0.502 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.718 -3.679 -1.801 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.006 -0.897 -0.955 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.991 -1.636 -2.178 1.00 0.00 H new ATOM 792 N GLN A 69 -1.602 -4.832 -1.367 1.00 0.00 N ATOM 793 CA GLN A 69 -0.367 -5.567 -1.117 1.00 0.00 C ATOM 794 C GLN A 69 0.815 -4.903 -1.819 1.00 0.00 C ATOM 795 O GLN A 69 1.230 -5.329 -2.897 1.00 0.00 O ATOM 796 CB GLN A 69 -0.513 -7.018 -1.586 1.00 0.00 C ATOM 797 CG GLN A 69 -0.139 -8.041 -0.526 1.00 0.00 C ATOM 798 CD GLN A 69 1.288 -8.534 -0.667 1.00 0.00 C ATOM 799 OE1 GLN A 69 2.051 -8.036 -1.493 1.00 0.00 O ATOM 800 NE2 GLN A 69 1.654 -9.523 0.141 1.00 0.00 N ATOM 0 H GLN A 69 -2.219 -5.265 -2.054 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.175 -5.557 -0.044 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.544 -7.189 -1.896 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.114 -7.172 -2.464 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.271 -7.599 0.462 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.820 -8.890 -0.589 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.988 -9.906 0.812 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.601 -9.899 0.091 1.00 0.00 H new ATOM 809 N ILE A 70 1.352 -3.857 -1.200 1.00 0.00 N ATOM 810 CA ILE A 70 2.484 -3.128 -1.763 1.00 0.00 C ATOM 811 C ILE A 70 3.658 -4.063 -2.040 1.00 0.00 C ATOM 812 O ILE A 70 3.898 -5.010 -1.292 1.00 0.00 O ATOM 813 CB ILE A 70 2.934 -1.990 -0.825 1.00 0.00 C ATOM 814 CG1 ILE A 70 1.705 -1.221 -0.315 1.00 0.00 C ATOM 815 CG2 ILE A 70 3.910 -1.061 -1.541 1.00 0.00 C ATOM 816 CD1 ILE A 70 2.017 0.173 0.191 1.00 0.00 C ATOM 0 H ILE A 70 1.021 -3.494 -0.306 1.00 0.00 H new ATOM 0 HA ILE A 70 2.153 -2.694 -2.706 1.00 0.00 H new ATOM 0 HB ILE A 70 3.454 -2.417 0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.974 -1.149 -1.120 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.239 -1.792 0.488 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.217 -0.264 -0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.787 -1.627 -1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.425 -0.627 -2.415 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.099 0.650 0.533 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.723 0.110 1.019 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.454 0.763 -0.615 1.00 0.00 H new ATOM 828 N MET A 71 4.377 -3.803 -3.131 1.00 0.00 N ATOM 829 CA MET A 71 5.511 -4.638 -3.514 1.00 0.00 C ATOM 830 C MET A 71 6.840 -3.906 -3.347 1.00 0.00 C ATOM 831 O MET A 71 7.822 -4.491 -2.888 1.00 0.00 O ATOM 832 CB MET A 71 5.359 -5.100 -4.963 1.00 0.00 C ATOM 833 CG MET A 71 6.206 -6.314 -5.309 1.00 0.00 C ATOM 834 SD MET A 71 5.219 -7.798 -5.586 1.00 0.00 S ATOM 835 CE MET A 71 4.338 -7.913 -4.032 1.00 0.00 C ATOM 0 H MET A 71 4.194 -3.023 -3.762 1.00 0.00 H new ATOM 0 HA MET A 71 5.518 -5.502 -2.850 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.311 -5.333 -5.153 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.628 -4.279 -5.627 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.791 -6.100 -6.203 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.914 -6.500 -4.501 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.632 -8.742 -4.075 1.00 0.00 H new ATOM 0 HE2 MET A 71 5.048 -8.082 -3.223 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.797 -6.984 -3.851 1.00 0.00 H new ATOM 845 N SER A 72 6.877 -2.632 -3.726 1.00 0.00 N ATOM 846 CA SER A 72 8.106 -1.851 -3.618 1.00 0.00 C ATOM 847 C SER A 72 7.814 -0.356 -3.589 1.00 0.00 C ATOM 848 O SER A 72 6.770 0.091 -4.063 1.00 0.00 O ATOM 849 CB SER A 72 9.041 -2.174 -4.785 1.00 0.00 C ATOM 850 OG SER A 72 8.533 -1.657 -6.003 1.00 0.00 O ATOM 0 H SER A 72 6.080 -2.122 -4.107 1.00 0.00 H new ATOM 0 HA SER A 72 8.590 -2.121 -2.680 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.028 -1.754 -4.591 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.165 -3.254 -4.868 1.00 0.00 H new ATOM 0 HG SER A 72 9.149 -1.875 -6.733 1.00 0.00 H new ATOM 856 N ILE A 73 8.746 0.411 -3.031 1.00 0.00 N ATOM 857 CA ILE A 73 8.594 1.859 -2.936 1.00 0.00 C ATOM 858 C ILE A 73 9.756 2.585 -3.614 1.00 0.00 C ATOM 859 O ILE A 73 10.917 2.387 -3.258 1.00 0.00 O ATOM 860 CB ILE A 73 8.491 2.308 -1.472 1.00 0.00 C ATOM 861 CG1 ILE A 73 7.344 1.572 -0.783 1.00 0.00 C ATOM 862 CG2 ILE A 73 8.289 3.814 -1.383 1.00 0.00 C ATOM 863 CD1 ILE A 73 7.652 1.184 0.640 1.00 0.00 C ATOM 0 H ILE A 73 9.616 0.053 -2.637 1.00 0.00 H new ATOM 0 HA ILE A 73 7.670 2.120 -3.452 1.00 0.00 H new ATOM 0 HB ILE A 73 9.424 2.063 -0.965 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.456 2.205 -0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.104 0.674 -1.353 1.00 0.00 H new ATOM 0 HG21 ILE A 73 8.219 4.110 -0.336 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.133 4.322 -1.848 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.370 4.089 -1.901 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.795 0.665 1.069 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.521 0.526 0.658 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.864 2.080 1.224 1.00 0.00 H new ATOM 875 N ASN A 74 9.426 3.425 -4.595 1.00 0.00 N ATOM 876 CA ASN A 74 10.424 4.195 -5.346 1.00 0.00 C ATOM 877 C ASN A 74 11.668 3.365 -5.655 1.00 0.00 C ATOM 878 O ASN A 74 12.781 3.891 -5.692 1.00 0.00 O ATOM 879 CB ASN A 74 10.819 5.466 -4.590 1.00 0.00 C ATOM 880 CG ASN A 74 11.003 5.231 -3.108 1.00 0.00 C ATOM 881 OD1 ASN A 74 11.945 4.563 -2.682 1.00 0.00 O ATOM 882 ND2 ASN A 74 10.101 5.786 -2.312 1.00 0.00 N ATOM 0 H ASN A 74 8.465 3.592 -4.892 1.00 0.00 H new ATOM 0 HA ASN A 74 9.962 4.475 -6.292 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.745 5.860 -5.009 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.053 6.226 -4.741 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.171 5.668 -1.301 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.337 6.332 -2.710 1.00 0.00 H new ATOM 889 N GLY A 75 11.473 2.071 -5.879 1.00 0.00 N ATOM 890 CA GLY A 75 12.590 1.197 -6.185 1.00 0.00 C ATOM 891 C GLY A 75 13.080 0.424 -4.976 1.00 0.00 C ATOM 892 O GLY A 75 14.224 -0.032 -4.946 1.00 0.00 O ATOM 0 H GLY A 75 10.563 1.612 -5.854 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.293 0.494 -6.964 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.410 1.791 -6.588 1.00 0.00 H new ATOM 896 N THR A 76 12.215 0.274 -3.980 1.00 0.00 N ATOM 897 CA THR A 76 12.568 -0.453 -2.766 1.00 0.00 C ATOM 898 C THR A 76 11.595 -1.602 -2.523 1.00 0.00 C ATOM 899 O THR A 76 10.526 -1.409 -1.946 1.00 0.00 O ATOM 900 CB THR A 76 12.573 0.490 -1.567 1.00 0.00 C ATOM 901 OG1 THR A 76 13.401 1.613 -1.813 1.00 0.00 O ATOM 902 CG2 THR A 76 13.054 -0.166 -0.290 1.00 0.00 C ATOM 0 H THR A 76 11.265 0.646 -3.989 1.00 0.00 H new ATOM 0 HA THR A 76 13.568 -0.867 -2.895 1.00 0.00 H new ATOM 0 HB THR A 76 11.534 0.789 -1.433 1.00 0.00 H new ATOM 0 HG1 THR A 76 12.915 2.264 -2.361 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.032 0.560 0.523 1.00 0.00 H new ATOM 0 HG22 THR A 76 12.403 -1.005 -0.044 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.073 -0.526 -0.428 1.00 0.00 H new ATOM 910 N SER A 77 11.975 -2.794 -2.969 1.00 0.00 N ATOM 911 CA SER A 77 11.136 -3.975 -2.806 1.00 0.00 C ATOM 912 C SER A 77 10.940 -4.306 -1.330 1.00 0.00 C ATOM 913 O SER A 77 11.903 -4.379 -0.566 1.00 0.00 O ATOM 914 CB SER A 77 11.757 -5.171 -3.531 1.00 0.00 C ATOM 915 OG SER A 77 10.776 -5.892 -4.257 1.00 0.00 O ATOM 0 H SER A 77 12.859 -2.968 -3.447 1.00 0.00 H new ATOM 0 HA SER A 77 10.161 -3.760 -3.243 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.535 -4.824 -4.211 1.00 0.00 H new ATOM 0 HB3 SER A 77 12.236 -5.830 -2.807 1.00 0.00 H new ATOM 0 HG SER A 77 11.198 -6.650 -4.713 1.00 0.00 H new ATOM 921 N LEU A 78 9.687 -4.508 -0.936 1.00 0.00 N ATOM 922 CA LEU A 78 9.362 -4.836 0.446 1.00 0.00 C ATOM 923 C LEU A 78 9.218 -6.343 0.635 1.00 0.00 C ATOM 924 O LEU A 78 8.723 -6.805 1.663 1.00 0.00 O ATOM 925 CB LEU A 78 8.073 -4.132 0.869 1.00 0.00 C ATOM 926 CG LEU A 78 8.141 -2.605 0.877 1.00 0.00 C ATOM 927 CD1 LEU A 78 6.858 -2.017 1.436 1.00 0.00 C ATOM 928 CD2 LEU A 78 9.341 -2.132 1.683 1.00 0.00 C ATOM 0 H LEU A 78 8.879 -4.450 -1.556 1.00 0.00 H new ATOM 0 HA LEU A 78 10.182 -4.489 1.075 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.272 -4.441 0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.802 -4.473 1.868 1.00 0.00 H new ATOM 0 HG LEU A 78 8.257 -2.259 -0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.925 -0.929 1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.015 -2.330 0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.711 -2.369 2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.375 -1.043 1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.253 -2.489 2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.255 -2.525 1.239 1.00 0.00 H new ATOM 940 N VAL A 79 9.651 -7.108 -0.363 1.00 0.00 N ATOM 941 CA VAL A 79 9.567 -8.561 -0.305 1.00 0.00 C ATOM 942 C VAL A 79 10.818 -9.158 0.331 1.00 0.00 C ATOM 943 O VAL A 79 11.934 -8.923 -0.135 1.00 0.00 O ATOM 944 CB VAL A 79 9.386 -9.171 -1.706 1.00 0.00 C ATOM 945 CG1 VAL A 79 8.972 -10.630 -1.606 1.00 0.00 C ATOM 946 CG2 VAL A 79 8.370 -8.375 -2.513 1.00 0.00 C ATOM 0 H VAL A 79 10.064 -6.744 -1.222 1.00 0.00 H new ATOM 0 HA VAL A 79 8.697 -8.801 0.306 1.00 0.00 H new ATOM 0 HB VAL A 79 10.343 -9.124 -2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 79 8.849 -11.043 -2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.741 -11.191 -1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 79 8.029 -10.704 -1.065 1.00 0.00 H new ATOM 0 HG21 VAL A 79 8.257 -8.824 -3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 79 7.409 -8.384 -1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 79 8.715 -7.346 -2.619 1.00 0.00 H new ATOM 956 N GLY A 80 10.626 -9.935 1.390 1.00 0.00 N ATOM 957 CA GLY A 80 11.752 -10.556 2.062 1.00 0.00 C ATOM 958 C GLY A 80 12.190 -9.797 3.299 1.00 0.00 C ATOM 959 O GLY A 80 12.774 -10.378 4.214 1.00 0.00 O ATOM 0 H GLY A 80 9.714 -10.146 1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.485 -11.575 2.342 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.590 -10.625 1.368 1.00 0.00 H new ATOM 963 N LEU A 81 11.911 -8.496 3.334 1.00 0.00 N ATOM 964 CA LEU A 81 12.290 -7.674 4.478 1.00 0.00 C ATOM 965 C LEU A 81 11.164 -7.624 5.509 1.00 0.00 C ATOM 966 O LEU A 81 10.000 -7.426 5.157 1.00 0.00 O ATOM 967 CB LEU A 81 12.658 -6.253 4.032 1.00 0.00 C ATOM 968 CG LEU A 81 11.821 -5.685 2.885 1.00 0.00 C ATOM 969 CD1 LEU A 81 11.690 -4.175 3.022 1.00 0.00 C ATOM 970 CD2 LEU A 81 12.443 -6.048 1.544 1.00 0.00 C ATOM 0 H LEU A 81 11.428 -7.993 2.590 1.00 0.00 H new ATOM 0 HA LEU A 81 13.165 -8.131 4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.567 -5.587 4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.706 -6.245 3.732 1.00 0.00 H new ATOM 0 HG LEU A 81 10.824 -6.123 2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.092 -3.785 2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.204 -3.936 3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.680 -3.720 2.998 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.836 -5.637 0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.450 -5.635 1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.489 -7.133 1.446 1.00 0.00 H new ATOM 982 N PRO A 82 11.493 -7.802 6.803 1.00 0.00 N ATOM 983 CA PRO A 82 10.498 -7.778 7.879 1.00 0.00 C ATOM 984 C PRO A 82 9.627 -6.527 7.834 1.00 0.00 C ATOM 985 O PRO A 82 9.748 -5.708 6.924 1.00 0.00 O ATOM 986 CB PRO A 82 11.349 -7.791 9.152 1.00 0.00 C ATOM 987 CG PRO A 82 12.624 -8.442 8.746 1.00 0.00 C ATOM 988 CD PRO A 82 12.855 -8.045 7.315 1.00 0.00 C ATOM 0 HA PRO A 82 9.801 -8.613 7.808 1.00 0.00 H new ATOM 0 HB2 PRO A 82 11.521 -6.781 9.524 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.858 -8.346 9.951 1.00 0.00 H new ATOM 0 HG2 PRO A 82 13.448 -8.114 9.380 1.00 0.00 H new ATOM 0 HG3 PRO A 82 12.557 -9.526 8.844 1.00 0.00 H new ATOM 0 HD2 PRO A 82 13.477 -7.153 7.241 1.00 0.00 H new ATOM 0 HD3 PRO A 82 13.360 -8.833 6.756 1.00 0.00 H new ATOM 996 N LEU A 83 8.751 -6.385 8.823 1.00 0.00 N ATOM 997 CA LEU A 83 7.860 -5.234 8.890 1.00 0.00 C ATOM 998 C LEU A 83 8.610 -3.990 9.351 1.00 0.00 C ATOM 999 O LEU A 83 8.352 -2.885 8.870 1.00 0.00 O ATOM 1000 CB LEU A 83 6.694 -5.512 9.836 1.00 0.00 C ATOM 1001 CG LEU A 83 5.672 -4.381 9.944 1.00 0.00 C ATOM 1002 CD1 LEU A 83 4.264 -4.941 10.052 1.00 0.00 C ATOM 1003 CD2 LEU A 83 5.988 -3.489 11.136 1.00 0.00 C ATOM 0 H LEU A 83 8.640 -7.051 9.587 1.00 0.00 H new ATOM 0 HA LEU A 83 7.471 -5.056 7.888 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.182 -6.415 9.503 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.092 -5.719 10.829 1.00 0.00 H new ATOM 0 HG LEU A 83 5.730 -3.777 9.038 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.551 -4.120 10.128 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.040 -5.536 9.166 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.190 -5.570 10.939 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.250 -2.689 11.198 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.959 -4.081 12.051 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.982 -3.058 11.014 1.00 0.00 H new ATOM 1015 N SER A 84 9.539 -4.170 10.284 1.00 0.00 N ATOM 1016 CA SER A 84 10.325 -3.057 10.804 1.00 0.00 C ATOM 1017 C SER A 84 10.982 -2.290 9.663 1.00 0.00 C ATOM 1018 O SER A 84 11.089 -1.063 9.700 1.00 0.00 O ATOM 1019 CB SER A 84 11.390 -3.562 11.777 1.00 0.00 C ATOM 1020 OG SER A 84 10.871 -4.576 12.622 1.00 0.00 O ATOM 0 H SER A 84 9.766 -5.075 10.695 1.00 0.00 H new ATOM 0 HA SER A 84 9.654 -2.384 11.338 1.00 0.00 H new ATOM 0 HB2 SER A 84 12.242 -3.950 11.219 1.00 0.00 H new ATOM 0 HB3 SER A 84 11.757 -2.733 12.382 1.00 0.00 H new ATOM 0 HG SER A 84 11.573 -4.883 13.234 1.00 0.00 H new ATOM 1026 N THR A 85 11.411 -3.024 8.642 1.00 0.00 N ATOM 1027 CA THR A 85 12.048 -2.421 7.482 1.00 0.00 C ATOM 1028 C THR A 85 11.038 -1.608 6.681 1.00 0.00 C ATOM 1029 O THR A 85 11.277 -0.444 6.365 1.00 0.00 O ATOM 1030 CB THR A 85 12.672 -3.497 6.600 1.00 0.00 C ATOM 1031 OG1 THR A 85 13.296 -4.494 7.388 1.00 0.00 O ATOM 1032 CG2 THR A 85 13.706 -2.957 5.636 1.00 0.00 C ATOM 0 H THR A 85 11.328 -4.040 8.596 1.00 0.00 H new ATOM 0 HA THR A 85 12.835 -1.753 7.831 1.00 0.00 H new ATOM 0 HB THR A 85 11.845 -3.912 6.024 1.00 0.00 H new ATOM 0 HG1 THR A 85 13.944 -4.985 6.841 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.110 -3.775 5.039 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.241 -2.223 4.978 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.513 -2.484 6.195 1.00 0.00 H new ATOM 1040 N CYS A 86 9.902 -2.227 6.363 1.00 0.00 N ATOM 1041 CA CYS A 86 8.851 -1.558 5.602 1.00 0.00 C ATOM 1042 C CYS A 86 8.404 -0.281 6.303 1.00 0.00 C ATOM 1043 O CYS A 86 8.321 0.778 5.685 1.00 0.00 O ATOM 1044 CB CYS A 86 7.659 -2.497 5.406 1.00 0.00 C ATOM 1045 SG CYS A 86 8.105 -4.151 4.821 1.00 0.00 S ATOM 0 H CYS A 86 9.687 -3.190 6.621 1.00 0.00 H new ATOM 0 HA CYS A 86 9.254 -1.290 4.625 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.125 -2.590 6.352 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.969 -2.046 4.693 1.00 0.00 H new ATOM 0 HG CYS A 86 8.721 -4.795 5.768 1.00 0.00 H new ATOM 1051 N GLN A 87 8.129 -0.385 7.600 1.00 0.00 N ATOM 1052 CA GLN A 87 7.701 0.771 8.382 1.00 0.00 C ATOM 1053 C GLN A 87 8.700 1.915 8.241 1.00 0.00 C ATOM 1054 O GLN A 87 8.322 3.060 7.996 1.00 0.00 O ATOM 1055 CB GLN A 87 7.556 0.391 9.857 1.00 0.00 C ATOM 1056 CG GLN A 87 6.396 -0.550 10.134 1.00 0.00 C ATOM 1057 CD GLN A 87 5.058 0.051 9.757 1.00 0.00 C ATOM 1058 OE1 GLN A 87 4.774 1.208 10.066 1.00 0.00 O ATOM 1059 NE2 GLN A 87 4.225 -0.735 9.086 1.00 0.00 N ATOM 0 H GLN A 87 8.194 -1.254 8.130 1.00 0.00 H new ATOM 0 HA GLN A 87 6.734 1.100 8.001 1.00 0.00 H new ATOM 0 HB2 GLN A 87 8.481 -0.077 10.195 1.00 0.00 H new ATOM 0 HB3 GLN A 87 7.424 1.299 10.446 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.544 -1.476 9.579 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.388 -0.810 11.192 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.501 -1.688 8.850 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.308 -0.386 8.806 1.00 0.00 H new ATOM 1068 N SER A 88 9.977 1.590 8.405 1.00 0.00 N ATOM 1069 CA SER A 88 11.039 2.578 8.305 1.00 0.00 C ATOM 1070 C SER A 88 11.086 3.212 6.916 1.00 0.00 C ATOM 1071 O SER A 88 11.408 4.393 6.777 1.00 0.00 O ATOM 1072 CB SER A 88 12.390 1.940 8.634 1.00 0.00 C ATOM 1073 OG SER A 88 13.462 2.732 8.153 1.00 0.00 O ATOM 0 H SER A 88 10.301 0.644 8.609 1.00 0.00 H new ATOM 0 HA SER A 88 10.827 3.366 9.028 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.483 1.815 9.713 1.00 0.00 H new ATOM 0 HB3 SER A 88 12.443 0.945 8.192 1.00 0.00 H new ATOM 0 HG SER A 88 14.313 2.302 8.378 1.00 0.00 H new ATOM 1079 N ILE A 89 10.760 2.431 5.888 1.00 0.00 N ATOM 1080 CA ILE A 89 10.764 2.933 4.527 1.00 0.00 C ATOM 1081 C ILE A 89 9.707 4.011 4.374 1.00 0.00 C ATOM 1082 O ILE A 89 9.968 5.078 3.827 1.00 0.00 O ATOM 1083 CB ILE A 89 10.507 1.796 3.515 1.00 0.00 C ATOM 1084 CG1 ILE A 89 11.658 0.792 3.567 1.00 0.00 C ATOM 1085 CG2 ILE A 89 10.339 2.351 2.107 1.00 0.00 C ATOM 1086 CD1 ILE A 89 11.565 -0.307 2.530 1.00 0.00 C ATOM 0 H ILE A 89 10.491 1.451 5.977 1.00 0.00 H new ATOM 0 HA ILE A 89 11.747 3.356 4.321 1.00 0.00 H new ATOM 0 HB ILE A 89 9.581 1.288 3.784 1.00 0.00 H new ATOM 0 HG12 ILE A 89 12.599 1.326 3.432 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.688 0.340 4.558 1.00 0.00 H new ATOM 0 HG21 ILE A 89 10.159 1.531 1.412 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.493 3.038 2.085 1.00 0.00 H new ATOM 0 HG23 ILE A 89 11.245 2.882 1.815 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.418 -0.978 2.633 1.00 0.00 H new ATOM 0 HD12 ILE A 89 10.642 -0.869 2.677 1.00 0.00 H new ATOM 0 HD13 ILE A 89 11.567 0.133 1.533 1.00 0.00 H new ATOM 1098 N ILE A 90 8.516 3.730 4.882 1.00 0.00 N ATOM 1099 CA ILE A 90 7.418 4.679 4.823 1.00 0.00 C ATOM 1100 C ILE A 90 7.736 5.911 5.654 1.00 0.00 C ATOM 1101 O ILE A 90 7.426 7.038 5.268 1.00 0.00 O ATOM 1102 CB ILE A 90 6.115 4.055 5.335 1.00 0.00 C ATOM 1103 CG1 ILE A 90 5.919 2.679 4.693 1.00 0.00 C ATOM 1104 CG2 ILE A 90 4.946 4.985 5.045 1.00 0.00 C ATOM 1105 CD1 ILE A 90 4.506 2.138 4.787 1.00 0.00 C ATOM 0 H ILE A 90 8.287 2.849 5.341 1.00 0.00 H new ATOM 0 HA ILE A 90 7.288 4.962 3.779 1.00 0.00 H new ATOM 0 HB ILE A 90 6.168 3.918 6.415 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.203 2.738 3.642 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.598 1.971 5.167 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.023 4.535 5.412 1.00 0.00 H new ATOM 0 HG22 ILE A 90 5.108 5.940 5.545 1.00 0.00 H new ATOM 0 HG23 ILE A 90 4.868 5.147 3.970 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.458 1.160 4.307 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.222 2.042 5.835 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.821 2.822 4.286 1.00 0.00 H new ATOM 1117 N LYS A 91 8.364 5.681 6.801 1.00 0.00 N ATOM 1118 CA LYS A 91 8.738 6.759 7.700 1.00 0.00 C ATOM 1119 C LYS A 91 9.852 7.605 7.097 1.00 0.00 C ATOM 1120 O LYS A 91 9.923 8.813 7.322 1.00 0.00 O ATOM 1121 CB LYS A 91 9.171 6.186 9.040 1.00 0.00 C ATOM 1122 CG LYS A 91 8.044 6.166 10.051 1.00 0.00 C ATOM 1123 CD LYS A 91 8.491 5.554 11.357 1.00 0.00 C ATOM 1124 CE LYS A 91 9.662 6.316 11.946 1.00 0.00 C ATOM 1125 NZ LYS A 91 9.849 6.022 13.395 1.00 0.00 N ATOM 0 H LYS A 91 8.625 4.751 7.129 1.00 0.00 H new ATOM 0 HA LYS A 91 7.872 7.403 7.852 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.543 5.172 8.895 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.998 6.776 9.434 1.00 0.00 H new ATOM 0 HG2 LYS A 91 7.690 7.182 10.225 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.203 5.600 9.650 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.662 5.553 12.064 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.774 4.514 11.196 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.572 6.058 11.404 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.503 7.386 11.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.660 6.563 13.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.991 6.292 13.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.027 5.005 13.523 1.00 0.00 H new ATOM 1139 N GLY A 92 10.716 6.959 6.320 1.00 0.00 N ATOM 1140 CA GLY A 92 11.812 7.664 5.684 1.00 0.00 C ATOM 1141 C GLY A 92 11.360 8.479 4.486 1.00 0.00 C ATOM 1142 O GLY A 92 12.117 9.299 3.968 1.00 0.00 O ATOM 0 H GLY A 92 10.676 5.960 6.120 1.00 0.00 H new ATOM 0 HA2 GLY A 92 12.286 8.324 6.411 1.00 0.00 H new ATOM 0 HA3 GLY A 92 12.567 6.945 5.366 1.00 0.00 H new ATOM 1146 N LEU A 93 10.122 8.256 4.047 1.00 0.00 N ATOM 1147 CA LEU A 93 9.572 8.981 2.907 1.00 0.00 C ATOM 1148 C LEU A 93 8.808 10.216 3.365 1.00 0.00 C ATOM 1149 O LEU A 93 7.750 10.541 2.827 1.00 0.00 O ATOM 1150 CB LEU A 93 8.643 8.072 2.098 1.00 0.00 C ATOM 1151 CG LEU A 93 9.303 6.833 1.495 1.00 0.00 C ATOM 1152 CD1 LEU A 93 8.264 5.960 0.806 1.00 0.00 C ATOM 1153 CD2 LEU A 93 10.400 7.234 0.522 1.00 0.00 C ATOM 0 H LEU A 93 9.483 7.579 4.464 1.00 0.00 H new ATOM 0 HA LEU A 93 10.403 9.299 2.278 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.825 7.750 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.202 8.657 1.291 1.00 0.00 H new ATOM 0 HG LEU A 93 9.756 6.255 2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.750 5.082 0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.515 5.645 1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.782 6.528 0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.859 6.339 0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.972 7.833 -0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.156 7.818 1.047 1.00 0.00 H new ATOM 1165 N LYS A 94 9.347 10.902 4.365 1.00 0.00 N ATOM 1166 CA LYS A 94 8.721 12.090 4.900 1.00 0.00 C ATOM 1167 C LYS A 94 9.021 13.306 4.035 1.00 0.00 C ATOM 1168 O LYS A 94 8.169 14.173 3.852 1.00 0.00 O ATOM 1169 CB LYS A 94 9.196 12.339 6.330 1.00 0.00 C ATOM 1170 CG LYS A 94 8.174 13.057 7.191 1.00 0.00 C ATOM 1171 CD LYS A 94 8.425 12.819 8.670 1.00 0.00 C ATOM 1172 CE LYS A 94 7.123 12.719 9.448 1.00 0.00 C ATOM 1173 NZ LYS A 94 7.178 13.482 10.727 1.00 0.00 N ATOM 0 H LYS A 94 10.224 10.648 4.821 1.00 0.00 H new ATOM 0 HA LYS A 94 7.643 11.930 4.902 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.443 11.384 6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.113 12.927 6.302 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.208 14.126 6.983 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.173 12.714 6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.999 11.901 8.799 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.029 13.632 9.073 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.304 13.097 8.835 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.906 11.672 9.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.271 13.388 11.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.942 13.106 11.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.359 14.486 10.525 1.00 0.00 H new ATOM 1187 N ASN A 95 10.240 13.373 3.513 1.00 0.00 N ATOM 1188 CA ASN A 95 10.643 14.499 2.685 1.00 0.00 C ATOM 1189 C ASN A 95 11.064 14.053 1.284 1.00 0.00 C ATOM 1190 O ASN A 95 12.216 14.226 0.887 1.00 0.00 O ATOM 1191 CB ASN A 95 11.786 15.257 3.358 1.00 0.00 C ATOM 1192 CG ASN A 95 12.900 14.337 3.818 1.00 0.00 C ATOM 1193 OD1 ASN A 95 13.868 14.106 3.093 1.00 0.00 O ATOM 1194 ND2 ASN A 95 12.766 13.805 5.027 1.00 0.00 N ATOM 0 H ASN A 95 10.961 12.665 3.648 1.00 0.00 H new ATOM 0 HA ASN A 95 9.781 15.157 2.577 1.00 0.00 H new ATOM 0 HB2 ASN A 95 12.190 15.992 2.662 1.00 0.00 H new ATOM 0 HB3 ASN A 95 11.398 15.809 4.214 1.00 0.00 H new ATOM 0 HD21 ASN A 95 13.483 13.176 5.390 1.00 0.00 H new ATOM 0 HD22 ASN A 95 11.946 14.025 5.593 1.00 0.00 H new ATOM 1201 N GLN A 96 10.119 13.491 0.538 1.00 0.00 N ATOM 1202 CA GLN A 96 10.390 13.037 -0.824 1.00 0.00 C ATOM 1203 C GLN A 96 9.544 13.814 -1.824 1.00 0.00 C ATOM 1204 O GLN A 96 10.008 14.167 -2.907 1.00 0.00 O ATOM 1205 CB GLN A 96 10.099 11.541 -0.975 1.00 0.00 C ATOM 1206 CG GLN A 96 10.296 10.742 0.297 1.00 0.00 C ATOM 1207 CD GLN A 96 11.759 10.563 0.653 1.00 0.00 C ATOM 1208 OE1 GLN A 96 12.569 10.166 -0.185 1.00 0.00 O ATOM 1209 NE2 GLN A 96 12.105 10.856 1.901 1.00 0.00 N ATOM 0 H GLN A 96 9.160 13.339 0.851 1.00 0.00 H new ATOM 0 HA GLN A 96 11.447 13.214 -1.025 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.071 11.414 -1.316 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.745 11.133 -1.752 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.785 11.243 1.119 1.00 0.00 H new ATOM 0 HG3 GLN A 96 9.831 9.763 0.182 1.00 0.00 H new ATOM 0 HE21 GLN A 96 11.400 11.182 2.562 1.00 0.00 H new ATOM 0 HE22 GLN A 96 13.076 10.755 2.198 1.00 0.00 H new ATOM 1218 N SER A 97 8.294 14.071 -1.447 1.00 0.00 N ATOM 1219 CA SER A 97 7.359 14.802 -2.300 1.00 0.00 C ATOM 1220 C SER A 97 6.813 13.921 -3.426 1.00 0.00 C ATOM 1221 O SER A 97 5.978 14.364 -4.213 1.00 0.00 O ATOM 1222 CB SER A 97 8.025 16.048 -2.891 1.00 0.00 C ATOM 1223 OG SER A 97 7.057 16.968 -3.364 1.00 0.00 O ATOM 0 H SER A 97 7.903 13.782 -0.550 1.00 0.00 H new ATOM 0 HA SER A 97 6.522 15.108 -1.673 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.646 16.526 -2.133 1.00 0.00 H new ATOM 0 HB3 SER A 97 8.686 15.758 -3.708 1.00 0.00 H new ATOM 0 HG SER A 97 6.159 16.609 -3.204 1.00 0.00 H new ATOM 1229 N ARG A 98 7.280 12.674 -3.498 1.00 0.00 N ATOM 1230 CA ARG A 98 6.825 11.747 -4.532 1.00 0.00 C ATOM 1231 C ARG A 98 7.166 10.309 -4.147 1.00 0.00 C ATOM 1232 O ARG A 98 8.243 10.043 -3.615 1.00 0.00 O ATOM 1233 CB ARG A 98 7.462 12.099 -5.882 1.00 0.00 C ATOM 1234 CG ARG A 98 6.479 12.668 -6.894 1.00 0.00 C ATOM 1235 CD ARG A 98 7.006 13.941 -7.535 1.00 0.00 C ATOM 1236 NE ARG A 98 7.066 15.050 -6.586 1.00 0.00 N ATOM 1237 CZ ARG A 98 7.621 16.230 -6.859 1.00 0.00 C ATOM 1238 NH1 ARG A 98 8.169 16.455 -8.048 1.00 0.00 N ATOM 1239 NH2 ARG A 98 7.629 17.187 -5.942 1.00 0.00 N ATOM 0 H ARG A 98 7.970 12.285 -2.855 1.00 0.00 H new ATOM 0 HA ARG A 98 5.742 11.836 -4.623 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.261 12.822 -5.719 1.00 0.00 H new ATOM 0 HB3 ARG A 98 7.923 11.204 -6.300 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.282 11.926 -7.667 1.00 0.00 H new ATOM 0 HG3 ARG A 98 5.529 12.875 -6.402 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.001 13.757 -7.940 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.366 14.216 -8.373 1.00 0.00 H new ATOM 0 HE ARG A 98 6.659 14.913 -5.661 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.166 15.722 -8.758 1.00 0.00 H new ATOM 0 HH12 ARG A 98 8.592 17.360 -8.251 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.210 17.020 -5.027 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.054 18.090 -6.151 1.00 0.00 H new ATOM 1253 N VAL A 99 6.242 9.386 -4.405 1.00 0.00 N ATOM 1254 CA VAL A 99 6.459 7.982 -4.066 1.00 0.00 C ATOM 1255 C VAL A 99 6.018 7.045 -5.186 1.00 0.00 C ATOM 1256 O VAL A 99 4.828 6.797 -5.371 1.00 0.00 O ATOM 1257 CB VAL A 99 5.717 7.595 -2.773 1.00 0.00 C ATOM 1258 CG1 VAL A 99 6.190 6.239 -2.270 1.00 0.00 C ATOM 1259 CG2 VAL A 99 5.911 8.663 -1.706 1.00 0.00 C ATOM 0 H VAL A 99 5.343 9.583 -4.844 1.00 0.00 H new ATOM 0 HA VAL A 99 7.533 7.870 -3.918 1.00 0.00 H new ATOM 0 HB VAL A 99 4.652 7.523 -2.995 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.654 5.983 -1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 99 5.995 5.481 -3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.260 6.280 -2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 99 5.380 8.373 -0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.973 8.769 -1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.519 9.614 -2.067 1.00 0.00 H new ATOM 1269 N LYS A 100 6.994 6.503 -5.911 1.00 0.00 N ATOM 1270 CA LYS A 100 6.717 5.565 -6.995 1.00 0.00 C ATOM 1271 C LYS A 100 6.775 4.144 -6.463 1.00 0.00 C ATOM 1272 O LYS A 100 7.781 3.452 -6.614 1.00 0.00 O ATOM 1273 CB LYS A 100 7.730 5.728 -8.133 1.00 0.00 C ATOM 1274 CG LYS A 100 8.112 7.170 -8.415 1.00 0.00 C ATOM 1275 CD LYS A 100 8.102 7.469 -9.906 1.00 0.00 C ATOM 1276 CE LYS A 100 6.719 7.274 -10.508 1.00 0.00 C ATOM 1277 NZ LYS A 100 6.645 7.783 -11.906 1.00 0.00 N ATOM 0 H LYS A 100 7.985 6.698 -5.767 1.00 0.00 H new ATOM 0 HA LYS A 100 5.722 5.774 -7.387 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.631 5.165 -7.888 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.316 5.288 -9.040 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.418 7.838 -7.905 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.104 7.371 -8.009 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.431 8.494 -10.074 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.815 6.818 -10.413 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.463 6.215 -10.493 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.980 7.789 -9.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.168 7.080 -12.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.109 8.674 -11.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.606 7.951 -12.266 1.00 0.00 H new ATOM 1291 N LEU A 101 5.698 3.721 -5.822 1.00 0.00 N ATOM 1292 CA LEU A 101 5.635 2.386 -5.245 1.00 0.00 C ATOM 1293 C LEU A 101 4.664 1.493 -6.011 1.00 0.00 C ATOM 1294 O LEU A 101 3.471 1.785 -6.112 1.00 0.00 O ATOM 1295 CB LEU A 101 5.257 2.468 -3.764 1.00 0.00 C ATOM 1296 CG LEU A 101 3.865 3.005 -3.476 1.00 0.00 C ATOM 1297 CD1 LEU A 101 3.463 2.703 -2.040 1.00 0.00 C ATOM 1298 CD2 LEU A 101 3.800 4.504 -3.747 1.00 0.00 C ATOM 0 H LEU A 101 4.856 4.281 -5.688 1.00 0.00 H new ATOM 0 HA LEU A 101 6.623 1.933 -5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.341 1.472 -3.329 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.985 3.100 -3.255 1.00 0.00 H new ATOM 0 HG LEU A 101 3.161 2.507 -4.142 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.463 3.095 -1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.466 1.625 -1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.171 3.173 -1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.795 4.869 -3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.516 5.021 -3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.042 4.696 -4.792 1.00 0.00 H new ATOM 1310 N ASN A 102 5.192 0.397 -6.548 1.00 0.00 N ATOM 1311 CA ASN A 102 4.386 -0.552 -7.302 1.00 0.00 C ATOM 1312 C ASN A 102 3.750 -1.562 -6.358 1.00 0.00 C ATOM 1313 O ASN A 102 4.434 -2.418 -5.797 1.00 0.00 O ATOM 1314 CB ASN A 102 5.243 -1.274 -8.345 1.00 0.00 C ATOM 1315 CG ASN A 102 5.033 -0.729 -9.744 1.00 0.00 C ATOM 1316 OD1 ASN A 102 5.917 -0.085 -10.311 1.00 0.00 O ATOM 1317 ND2 ASN A 102 3.859 -0.984 -10.310 1.00 0.00 N ATOM 0 H ASN A 102 6.178 0.145 -6.473 1.00 0.00 H new ATOM 0 HA ASN A 102 3.598 -0.005 -7.820 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.295 -1.179 -8.075 1.00 0.00 H new ATOM 0 HB3 ASN A 102 5.005 -2.338 -8.333 1.00 0.00 H new ATOM 0 HD21 ASN A 102 3.661 -0.642 -11.251 1.00 0.00 H new ATOM 0 HD22 ASN A 102 3.155 -1.522 -9.804 1.00 0.00 H new ATOM 1324 N ILE A 103 2.442 -1.450 -6.172 1.00 0.00 N ATOM 1325 CA ILE A 103 1.731 -2.349 -5.277 1.00 0.00 C ATOM 1326 C ILE A 103 0.995 -3.442 -6.041 1.00 0.00 C ATOM 1327 O ILE A 103 0.854 -3.379 -7.263 1.00 0.00 O ATOM 1328 CB ILE A 103 0.742 -1.581 -4.384 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -0.389 -0.971 -5.208 1.00 0.00 C ATOM 1330 CG2 ILE A 103 1.473 -0.498 -3.614 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -1.750 -1.214 -4.609 1.00 0.00 C ATOM 0 H ILE A 103 1.856 -0.750 -6.626 1.00 0.00 H new ATOM 0 HA ILE A 103 2.483 -2.821 -4.644 1.00 0.00 H new ATOM 0 HB ILE A 103 0.301 -2.287 -3.680 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.225 0.103 -5.301 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.362 -1.386 -6.216 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.766 0.041 -2.984 1.00 0.00 H new ATOM 0 HG22 ILE A 103 2.242 -0.952 -2.989 1.00 0.00 H new ATOM 0 HG23 ILE A 103 1.937 0.196 -4.314 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.512 -0.756 -5.240 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.931 -2.287 -4.541 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.793 -0.775 -3.612 1.00 0.00 H new ATOM 1343 N VAL A 104 0.539 -4.451 -5.307 1.00 0.00 N ATOM 1344 CA VAL A 104 -0.169 -5.574 -5.899 1.00 0.00 C ATOM 1345 C VAL A 104 -1.609 -5.653 -5.405 1.00 0.00 C ATOM 1346 O VAL A 104 -1.882 -5.480 -4.213 1.00 0.00 O ATOM 1347 CB VAL A 104 0.544 -6.902 -5.581 1.00 0.00 C ATOM 1348 CG1 VAL A 104 -0.119 -8.059 -6.310 1.00 0.00 C ATOM 1349 CG2 VAL A 104 2.019 -6.815 -5.939 1.00 0.00 C ATOM 0 H VAL A 104 0.649 -4.512 -4.295 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.175 -5.412 -6.977 1.00 0.00 H new ATOM 0 HB VAL A 104 0.461 -7.086 -4.510 1.00 0.00 H new ATOM 0 HG11 VAL A 104 0.401 -8.986 -6.070 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.161 -8.136 -5.998 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -0.074 -7.885 -7.385 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.506 -7.762 -5.707 1.00 0.00 H new ATOM 0 HG22 VAL A 104 2.123 -6.604 -7.003 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.487 -6.016 -5.363 1.00 0.00 H new