USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 759 hydrogens (29 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 72 HIS : no HD1:sc= 0.0524 K(o=0.32,f=-0.89) USER MOD Set 1.2: A 91 SER OG : rot 170:sc= 0.271 USER MOD Set 2.1: A 73 MET CE :methyl -149:sc= 0 (180deg=-0.375) USER MOD Set 2.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 64 GLN : amide:sc= 0.185 X(o=0.36,f=0.25) USER MOD Set 3.2: A 66 TYR OH : rot 180:sc= 0.173 USER MOD Set 4.1: A 35 LYS NZ :NH3+ 151:sc= 0.555 (180deg=0) USER MOD Set 4.2: A 38 HIS : no HD1:sc= 0.739 K(o=1.3,f=-4.4!) USER MOD Single : A 23 GLN : amide:sc=-0.00334 X(o=-0.0033,f=-0.46) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0.757 K(o=0.76,f=-1.1) USER MOD Single : A 30 LYS NZ :NH3+ 162:sc= 0.909 (180deg=0.673) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 170:sc= -0.213 (180deg=-0.318) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0918 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 128:sc= -0.0541 (180deg=-0.243) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 59 TYR OH : rot -20:sc= 1.2 USER MOD Single : A 61 MET CE :methyl 177:sc= -2.04 (180deg=-2.16) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 69 GLN : amide:sc= 0.416 X(o=0.42,f=0) USER MOD Single : A 71 GLN : amide:sc= 0.893 K(o=0.89,f=-0.35) USER MOD Single : A 76 CYS SG : rot 180:sc= 0.175 USER MOD Single : A 88 GLN : amide:sc= 0.346 K(o=0.35,f=-0.17) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 166:sc= 1.23 (180deg=1.12) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 150:sc= 0 (180deg=-0.225) USER MOD Single : A 104 LYS NZ :NH3+ -166:sc= 1.14 (180deg=0.995) USER MOD Single : A 105 ASN : amide:sc= 1.23 K(o=1.2,f=-1.5!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot -150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 5.408 14.575 10.874 1.00 0.00 N ATOM 2 CA GLN A 23 4.465 13.470 10.661 1.00 0.00 C ATOM 3 C GLN A 23 4.985 12.405 9.670 1.00 0.00 C ATOM 4 O GLN A 23 4.220 11.642 9.072 1.00 0.00 O ATOM 5 CB GLN A 23 3.078 14.025 10.272 1.00 0.00 C ATOM 6 CG GLN A 23 2.432 14.927 11.344 1.00 0.00 C ATOM 7 CD GLN A 23 2.062 14.212 12.649 1.00 0.00 C ATOM 8 OE1 GLN A 23 2.058 12.991 12.773 1.00 0.00 O ATOM 9 NE2 GLN A 23 1.712 14.948 13.685 1.00 0.00 N ATOM 0 HA GLN A 23 4.363 12.936 11.606 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.173 14.592 9.346 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.410 13.189 10.066 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.118 15.742 11.575 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.532 15.377 10.925 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.707 15.965 13.609 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.447 14.500 14.562 1.00 0.00 H new ATOM 18 N ILE A 24 6.306 12.364 9.486 1.00 0.00 N ATOM 19 CA ILE A 24 7.018 11.533 8.506 1.00 0.00 C ATOM 20 C ILE A 24 7.419 10.186 9.130 1.00 0.00 C ATOM 21 O ILE A 24 7.874 10.133 10.277 1.00 0.00 O ATOM 22 CB ILE A 24 8.224 12.326 7.946 1.00 0.00 C ATOM 23 CG1 ILE A 24 7.798 13.704 7.377 1.00 0.00 C ATOM 24 CG2 ILE A 24 9.016 11.526 6.896 1.00 0.00 C ATOM 25 CD1 ILE A 24 6.860 13.664 6.160 1.00 0.00 C ATOM 0 H ILE A 24 6.942 12.936 10.042 1.00 0.00 H new ATOM 0 HA ILE A 24 6.364 11.295 7.667 1.00 0.00 H new ATOM 0 HB ILE A 24 8.888 12.502 8.792 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.309 14.268 8.171 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.697 14.256 7.101 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.851 12.126 6.535 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.396 10.610 7.348 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.362 11.274 6.061 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.627 14.682 5.846 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.348 13.135 5.342 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.938 13.147 6.428 1.00 0.00 H new ATOM 37 N ASN A 25 7.255 9.099 8.366 1.00 0.00 N ATOM 38 CA ASN A 25 7.659 7.740 8.751 1.00 0.00 C ATOM 39 C ASN A 25 9.057 7.415 8.173 1.00 0.00 C ATOM 40 O ASN A 25 9.982 8.214 8.337 1.00 0.00 O ATOM 41 CB ASN A 25 6.519 6.749 8.419 1.00 0.00 C ATOM 42 CG ASN A 25 5.340 6.890 9.374 1.00 0.00 C ATOM 43 OD1 ASN A 25 5.235 6.188 10.370 1.00 0.00 O ATOM 44 ND2 ASN A 25 4.423 7.799 9.125 1.00 0.00 N ATOM 0 H ASN A 25 6.828 9.140 7.441 1.00 0.00 H new ATOM 0 HA ASN A 25 7.797 7.646 9.828 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.179 6.917 7.397 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.901 5.729 8.464 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.633 7.914 9.760 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.502 8.389 8.297 1.00 0.00 H new ATOM 51 N GLN A 26 9.251 6.265 7.515 1.00 0.00 N ATOM 52 CA GLN A 26 10.547 5.842 6.995 1.00 0.00 C ATOM 53 C GLN A 26 10.784 6.391 5.585 1.00 0.00 C ATOM 54 O GLN A 26 9.913 6.360 4.713 1.00 0.00 O ATOM 55 CB GLN A 26 10.669 4.307 7.086 1.00 0.00 C ATOM 56 CG GLN A 26 9.779 3.521 6.097 1.00 0.00 C ATOM 57 CD GLN A 26 10.401 3.269 4.717 1.00 0.00 C ATOM 58 OE1 GLN A 26 11.565 3.534 4.441 1.00 0.00 O ATOM 59 NE2 GLN A 26 9.644 2.714 3.795 1.00 0.00 N ATOM 0 H GLN A 26 8.501 5.599 7.329 1.00 0.00 H new ATOM 0 HA GLN A 26 11.343 6.264 7.609 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.709 4.030 6.915 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.419 3.997 8.101 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.527 2.560 6.545 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.844 4.065 5.963 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.672 2.485 4.003 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.029 2.513 2.872 1.00 0.00 H new ATOM 68 N VAL A 27 11.992 6.903 5.392 1.00 0.00 N ATOM 69 CA VAL A 27 12.505 7.464 4.130 1.00 0.00 C ATOM 70 C VAL A 27 14.031 7.595 4.131 1.00 0.00 C ATOM 71 O VAL A 27 14.634 7.847 5.175 1.00 0.00 O ATOM 72 CB VAL A 27 11.854 8.841 3.822 1.00 0.00 C ATOM 73 CG1 VAL A 27 11.703 9.741 5.056 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.628 9.642 2.757 1.00 0.00 C ATOM 0 H VAL A 27 12.682 6.945 6.142 1.00 0.00 H new ATOM 0 HA VAL A 27 12.232 6.760 3.344 1.00 0.00 H new ATOM 0 HB VAL A 27 10.865 8.576 3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.242 10.684 4.764 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.075 9.243 5.795 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.685 9.936 5.487 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.127 10.594 2.583 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.644 9.825 3.107 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.661 9.074 1.827 1.00 0.00 H new ATOM 84 N ARG A 28 14.645 7.483 2.940 1.00 0.00 N ATOM 85 CA ARG A 28 16.047 7.845 2.691 1.00 0.00 C ATOM 86 C ARG A 28 16.321 7.979 1.169 1.00 0.00 C ATOM 87 O ARG A 28 16.213 6.975 0.466 1.00 0.00 O ATOM 88 CB ARG A 28 16.958 6.759 3.317 1.00 0.00 C ATOM 89 CG ARG A 28 18.451 7.106 3.340 1.00 0.00 C ATOM 90 CD ARG A 28 18.746 8.468 3.974 1.00 0.00 C ATOM 91 NE ARG A 28 18.163 8.605 5.330 1.00 0.00 N ATOM 92 CZ ARG A 28 18.692 9.264 6.346 1.00 0.00 C ATOM 93 NH1 ARG A 28 19.690 10.083 6.188 1.00 0.00 N ATOM 94 NH2 ARG A 28 18.221 9.110 7.551 1.00 0.00 N ATOM 0 H ARG A 28 14.169 7.131 2.109 1.00 0.00 H new ATOM 0 HA ARG A 28 16.260 8.811 3.148 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.627 6.572 4.339 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.824 5.829 2.764 1.00 0.00 H new ATOM 0 HG2 ARG A 28 18.988 6.333 3.890 1.00 0.00 H new ATOM 0 HG3 ARG A 28 18.835 7.097 2.320 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.825 8.612 4.030 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.352 9.256 3.332 1.00 0.00 H new ATOM 0 HE ARG A 28 17.267 8.146 5.495 1.00 0.00 H new ATOM 0 HH11 ARG A 28 20.086 10.231 5.260 1.00 0.00 H new ATOM 0 HH12 ARG A 28 20.076 10.577 6.992 1.00 0.00 H new ATOM 0 HH21 ARG A 28 17.438 8.477 7.716 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.635 9.622 8.330 1.00 0.00 H new ATOM 108 N PRO A 29 16.630 9.174 0.629 1.00 0.00 N ATOM 109 CA PRO A 29 16.910 9.397 -0.797 1.00 0.00 C ATOM 110 C PRO A 29 18.411 9.294 -1.144 1.00 0.00 C ATOM 111 O PRO A 29 19.258 9.077 -0.275 1.00 0.00 O ATOM 112 CB PRO A 29 16.347 10.799 -1.075 1.00 0.00 C ATOM 113 CG PRO A 29 16.707 11.523 0.213 1.00 0.00 C ATOM 114 CD PRO A 29 16.447 10.460 1.279 1.00 0.00 C ATOM 0 HA PRO A 29 16.451 8.630 -1.421 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.806 11.261 -1.949 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.271 10.783 -1.251 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.746 11.853 0.215 1.00 0.00 H new ATOM 0 HG3 PRO A 29 16.091 12.409 0.366 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.135 10.573 2.116 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.438 10.552 1.681 1.00 0.00 H new ATOM 122 N LYS A 30 18.731 9.504 -2.430 1.00 0.00 N ATOM 123 CA LYS A 30 20.098 9.676 -2.965 1.00 0.00 C ATOM 124 C LYS A 30 20.347 11.156 -3.262 1.00 0.00 C ATOM 125 O LYS A 30 19.414 11.863 -3.637 1.00 0.00 O ATOM 126 CB LYS A 30 20.261 8.743 -4.179 1.00 0.00 C ATOM 127 CG LYS A 30 21.701 8.607 -4.697 1.00 0.00 C ATOM 128 CD LYS A 30 21.948 7.336 -5.527 1.00 0.00 C ATOM 129 CE LYS A 30 22.022 6.099 -4.614 1.00 0.00 C ATOM 130 NZ LYS A 30 22.221 4.839 -5.386 1.00 0.00 N ATOM 0 H LYS A 30 18.019 9.562 -3.158 1.00 0.00 H new ATOM 0 HA LYS A 30 20.862 9.391 -2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.891 7.753 -3.911 1.00 0.00 H new ATOM 0 HB3 LYS A 30 19.631 9.110 -4.989 1.00 0.00 H new ATOM 0 HG2 LYS A 30 21.942 9.479 -5.306 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.384 8.613 -3.848 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.147 7.210 -6.256 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.877 7.436 -6.088 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.841 6.222 -3.905 1.00 0.00 H new ATOM 0 HE3 LYS A 30 21.104 6.025 -4.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 22.565 4.092 -4.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 21.318 4.544 -5.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.919 5.000 -6.140 1.00 0.00 H new ATOM 144 N LEU A 31 21.582 11.635 -3.117 1.00 0.00 N ATOM 145 CA LEU A 31 21.919 13.076 -3.151 1.00 0.00 C ATOM 146 C LEU A 31 21.419 13.843 -4.400 1.00 0.00 C ATOM 147 O LEU A 31 20.709 14.835 -4.223 1.00 0.00 O ATOM 148 CB LEU A 31 23.431 13.243 -2.887 1.00 0.00 C ATOM 149 CG LEU A 31 23.939 14.701 -2.878 1.00 0.00 C ATOM 150 CD1 LEU A 31 23.249 15.562 -1.816 1.00 0.00 C ATOM 151 CD2 LEU A 31 25.441 14.715 -2.600 1.00 0.00 C ATOM 0 H LEU A 31 22.393 11.034 -2.970 1.00 0.00 H new ATOM 0 HA LEU A 31 21.359 13.559 -2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.669 12.786 -1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.980 12.688 -3.648 1.00 0.00 H new ATOM 0 HG LEU A 31 23.710 15.121 -3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 31 23.646 16.576 -1.856 1.00 0.00 H new ATOM 0 HD12 LEU A 31 22.176 15.584 -2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 31 23.433 15.139 -0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 31 25.800 15.744 -2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 31 25.636 14.257 -1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 31 25.960 14.154 -3.377 1.00 0.00 H new ATOM 163 N PRO A 32 21.671 13.395 -5.647 1.00 0.00 N ATOM 164 CA PRO A 32 21.132 14.039 -6.853 1.00 0.00 C ATOM 165 C PRO A 32 19.596 14.061 -6.962 1.00 0.00 C ATOM 166 O PRO A 32 19.076 14.824 -7.772 1.00 0.00 O ATOM 167 CB PRO A 32 21.761 13.291 -8.036 1.00 0.00 C ATOM 168 CG PRO A 32 22.190 11.949 -7.449 1.00 0.00 C ATOM 169 CD PRO A 32 22.609 12.352 -6.041 1.00 0.00 C ATOM 0 HA PRO A 32 21.388 15.098 -6.828 1.00 0.00 H new ATOM 0 HB2 PRO A 32 21.047 13.159 -8.849 1.00 0.00 H new ATOM 0 HB3 PRO A 32 22.612 13.837 -8.445 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.375 11.225 -7.443 1.00 0.00 H new ATOM 0 HG3 PRO A 32 23.011 11.500 -8.008 1.00 0.00 H new ATOM 0 HD2 PRO A 32 22.564 11.503 -5.359 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.635 12.719 -6.025 1.00 0.00 H new ATOM 177 N LEU A 33 18.863 13.277 -6.155 1.00 0.00 N ATOM 178 CA LEU A 33 17.394 13.272 -6.093 1.00 0.00 C ATOM 179 C LEU A 33 16.882 14.101 -4.903 1.00 0.00 C ATOM 180 O LEU A 33 15.951 14.883 -5.064 1.00 0.00 O ATOM 181 CB LEU A 33 16.873 11.813 -6.152 1.00 0.00 C ATOM 182 CG LEU A 33 15.726 11.565 -7.158 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.492 12.406 -6.826 1.00 0.00 C ATOM 184 CD2 LEU A 33 16.159 11.846 -8.601 1.00 0.00 C ATOM 0 H LEU A 33 19.289 12.611 -5.510 1.00 0.00 H new ATOM 0 HA LEU A 33 16.978 13.774 -6.967 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.706 11.157 -6.405 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.531 11.525 -5.158 1.00 0.00 H new ATOM 0 HG LEU A 33 15.469 10.509 -7.071 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.707 12.204 -7.555 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.135 12.150 -5.828 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.753 13.464 -6.857 1.00 0.00 H new ATOM 0 HD21 LEU A 33 15.323 11.659 -9.275 1.00 0.00 H new ATOM 0 HD22 LEU A 33 16.472 12.886 -8.691 1.00 0.00 H new ATOM 0 HD23 LEU A 33 16.991 11.193 -8.865 1.00 0.00 H new ATOM 196 N LEU A 34 17.555 14.042 -3.746 1.00 0.00 N ATOM 197 CA LEU A 34 17.344 14.949 -2.602 1.00 0.00 C ATOM 198 C LEU A 34 17.423 16.413 -3.077 1.00 0.00 C ATOM 199 O LEU A 34 16.576 17.224 -2.723 1.00 0.00 O ATOM 200 CB LEU A 34 18.429 14.632 -1.563 1.00 0.00 C ATOM 201 CG LEU A 34 18.455 15.424 -0.234 1.00 0.00 C ATOM 202 CD1 LEU A 34 19.700 14.891 0.493 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.712 16.925 -0.356 1.00 0.00 C ATOM 0 H LEU A 34 18.280 13.346 -3.572 1.00 0.00 H new ATOM 0 HA LEU A 34 16.359 14.808 -2.157 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.345 13.574 -1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.396 14.770 -2.046 1.00 0.00 H new ATOM 0 HG LEU A 34 17.481 15.298 0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 34 19.805 15.396 1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 34 19.595 13.819 0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.585 15.080 -0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.708 17.377 0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.681 17.091 -0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 34 17.930 17.380 -0.964 1.00 0.00 H new ATOM 215 N LYS A 35 18.389 16.748 -3.946 1.00 0.00 N ATOM 216 CA LYS A 35 18.518 18.093 -4.540 1.00 0.00 C ATOM 217 C LYS A 35 17.310 18.508 -5.391 1.00 0.00 C ATOM 218 O LYS A 35 16.916 19.669 -5.323 1.00 0.00 O ATOM 219 CB LYS A 35 19.837 18.187 -5.326 1.00 0.00 C ATOM 220 CG LYS A 35 21.100 18.261 -4.443 1.00 0.00 C ATOM 221 CD LYS A 35 21.315 19.614 -3.733 1.00 0.00 C ATOM 222 CE LYS A 35 20.696 19.694 -2.325 1.00 0.00 C ATOM 223 NZ LYS A 35 20.897 21.038 -1.712 1.00 0.00 N ATOM 0 H LYS A 35 19.106 16.094 -4.259 1.00 0.00 H new ATOM 0 HA LYS A 35 18.539 18.810 -3.720 1.00 0.00 H new ATOM 0 HB2 LYS A 35 19.917 17.321 -5.982 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.803 19.069 -5.965 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.046 17.476 -3.689 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.972 18.049 -5.062 1.00 0.00 H new ATOM 0 HD2 LYS A 35 22.385 19.806 -3.658 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.891 20.406 -4.350 1.00 0.00 H new ATOM 0 HE2 LYS A 35 19.630 19.476 -2.383 1.00 0.00 H new ATOM 0 HE3 LYS A 35 21.143 18.932 -1.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 20.117 21.240 -1.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 21.799 21.052 -1.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 20.916 21.761 -2.459 1.00 0.00 H new ATOM 237 N ILE A 36 16.653 17.579 -6.095 1.00 0.00 N ATOM 238 CA ILE A 36 15.359 17.847 -6.757 1.00 0.00 C ATOM 239 C ILE A 36 14.286 18.126 -5.699 1.00 0.00 C ATOM 240 O ILE A 36 13.488 19.047 -5.850 1.00 0.00 O ATOM 241 CB ILE A 36 14.915 16.686 -7.672 1.00 0.00 C ATOM 242 CG1 ILE A 36 16.020 16.203 -8.629 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.673 17.083 -8.487 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.805 17.281 -9.382 1.00 0.00 C ATOM 0 H ILE A 36 16.995 16.627 -6.225 1.00 0.00 H new ATOM 0 HA ILE A 36 15.490 18.723 -7.393 1.00 0.00 H new ATOM 0 HB ILE A 36 14.679 15.856 -7.006 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.729 15.606 -8.055 1.00 0.00 H new ATOM 0 HG13 ILE A 36 15.566 15.539 -9.364 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.376 16.251 -9.126 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.856 17.330 -7.809 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.905 17.950 -9.105 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.551 16.808 -10.021 1.00 0.00 H new ATOM 0 HD12 ILE A 36 16.121 17.867 -9.996 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.302 17.936 -8.666 1.00 0.00 H new ATOM 256 N LEU A 37 14.307 17.369 -4.596 1.00 0.00 N ATOM 257 CA LEU A 37 13.349 17.491 -3.495 1.00 0.00 C ATOM 258 C LEU A 37 13.451 18.859 -2.801 1.00 0.00 C ATOM 259 O LEU A 37 12.443 19.554 -2.668 1.00 0.00 O ATOM 260 CB LEU A 37 13.392 16.233 -2.599 1.00 0.00 C ATOM 261 CG LEU A 37 12.981 14.968 -3.393 1.00 0.00 C ATOM 262 CD1 LEU A 37 13.341 13.655 -2.704 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.482 14.924 -3.675 1.00 0.00 C ATOM 0 H LEU A 37 15.005 16.641 -4.442 1.00 0.00 H new ATOM 0 HA LEU A 37 12.328 17.501 -3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.397 16.103 -2.197 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.723 16.366 -1.749 1.00 0.00 H new ATOM 0 HG LEU A 37 13.552 15.054 -4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.020 12.818 -3.324 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.420 13.605 -2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.841 13.603 -1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.243 14.019 -4.234 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.934 14.924 -2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.196 15.798 -4.261 1.00 0.00 H new ATOM 275 N HIS A 38 14.666 19.325 -2.492 1.00 0.00 N ATOM 276 CA HIS A 38 14.908 20.707 -2.033 1.00 0.00 C ATOM 277 C HIS A 38 14.439 21.740 -3.076 1.00 0.00 C ATOM 278 O HIS A 38 13.710 22.670 -2.736 1.00 0.00 O ATOM 279 CB HIS A 38 16.414 20.960 -1.821 1.00 0.00 C ATOM 280 CG HIS A 38 17.002 20.466 -0.532 1.00 0.00 C ATOM 281 ND1 HIS A 38 18.264 20.822 -0.045 1.00 0.00 N ATOM 282 CD2 HIS A 38 16.414 19.602 0.339 1.00 0.00 C ATOM 283 CE1 HIS A 38 18.406 20.162 1.117 1.00 0.00 C ATOM 284 NE2 HIS A 38 17.314 19.421 1.360 1.00 0.00 N ATOM 0 H HIS A 38 15.512 18.759 -2.551 1.00 0.00 H new ATOM 0 HA HIS A 38 14.351 20.818 -1.102 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.957 20.495 -2.644 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.592 22.033 -1.888 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.437 19.150 0.246 1.00 0.00 H new ATOM 0 HE1 HIS A 38 19.271 20.220 1.760 1.00 0.00 H new ATOM 0 HE2 HIS A 38 17.175 18.820 2.172 1.00 0.00 H new ATOM 292 N ALA A 39 14.834 21.582 -4.349 1.00 0.00 N ATOM 293 CA ALA A 39 14.563 22.559 -5.413 1.00 0.00 C ATOM 294 C ALA A 39 13.061 22.713 -5.727 1.00 0.00 C ATOM 295 O ALA A 39 12.604 23.808 -6.064 1.00 0.00 O ATOM 296 CB ALA A 39 15.353 22.150 -6.661 1.00 0.00 C ATOM 0 H ALA A 39 15.355 20.766 -4.670 1.00 0.00 H new ATOM 0 HA ALA A 39 14.886 23.540 -5.066 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.164 22.865 -7.462 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.418 22.138 -6.430 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.040 21.156 -6.980 1.00 0.00 H new ATOM 302 N ALA A 40 12.281 21.642 -5.557 1.00 0.00 N ATOM 303 CA ALA A 40 10.820 21.656 -5.642 1.00 0.00 C ATOM 304 C ALA A 40 10.122 22.403 -4.481 1.00 0.00 C ATOM 305 O ALA A 40 8.924 22.683 -4.568 1.00 0.00 O ATOM 306 CB ALA A 40 10.350 20.202 -5.698 1.00 0.00 C ATOM 0 H ALA A 40 12.659 20.717 -5.351 1.00 0.00 H new ATOM 0 HA ALA A 40 10.542 22.210 -6.538 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.262 20.173 -5.762 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.778 19.715 -6.574 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.674 19.680 -4.798 1.00 0.00 H new ATOM 312 N GLY A 41 10.853 22.721 -3.404 1.00 0.00 N ATOM 313 CA GLY A 41 10.381 23.506 -2.256 1.00 0.00 C ATOM 314 C GLY A 41 10.766 22.949 -0.876 1.00 0.00 C ATOM 315 O GLY A 41 10.474 23.600 0.130 1.00 0.00 O ATOM 0 H GLY A 41 11.825 22.428 -3.305 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.774 24.519 -2.343 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.295 23.580 -2.309 1.00 0.00 H new ATOM 319 N ALA A 42 11.395 21.768 -0.798 1.00 0.00 N ATOM 320 CA ALA A 42 11.714 21.110 0.470 1.00 0.00 C ATOM 321 C ALA A 42 13.036 21.586 1.124 1.00 0.00 C ATOM 322 O ALA A 42 13.667 22.573 0.742 1.00 0.00 O ATOM 323 CB ALA A 42 11.658 19.584 0.272 1.00 0.00 C ATOM 0 H ALA A 42 11.697 21.242 -1.618 1.00 0.00 H new ATOM 0 HA ALA A 42 10.956 21.407 1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.895 19.086 1.212 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.657 19.295 -0.050 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.382 19.289 -0.487 1.00 0.00 H new ATOM 329 N GLN A 43 13.415 20.835 2.153 1.00 0.00 N ATOM 330 CA GLN A 43 14.509 20.964 3.101 1.00 0.00 C ATOM 331 C GLN A 43 14.708 19.603 3.809 1.00 0.00 C ATOM 332 O GLN A 43 13.756 18.827 3.930 1.00 0.00 O ATOM 333 CB GLN A 43 14.160 22.062 4.110 1.00 0.00 C ATOM 334 CG GLN A 43 12.830 21.898 4.870 1.00 0.00 C ATOM 335 CD GLN A 43 12.623 23.023 5.883 1.00 0.00 C ATOM 336 OE1 GLN A 43 12.877 22.882 7.074 1.00 0.00 O ATOM 337 NE2 GLN A 43 12.169 24.187 5.462 1.00 0.00 N ATOM 0 H GLN A 43 12.876 19.996 2.369 1.00 0.00 H new ATOM 0 HA GLN A 43 15.436 21.238 2.596 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.966 22.122 4.841 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.136 23.016 3.582 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.003 21.889 4.160 1.00 0.00 H new ATOM 0 HG3 GLN A 43 12.819 20.937 5.384 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.952 24.323 4.475 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.035 24.952 6.124 1.00 0.00 H new ATOM 346 N GLY A 44 15.925 19.298 4.274 1.00 0.00 N ATOM 347 CA GLY A 44 16.299 17.965 4.764 1.00 0.00 C ATOM 348 C GLY A 44 16.248 16.903 3.658 1.00 0.00 C ATOM 349 O GLY A 44 16.068 17.214 2.485 1.00 0.00 O ATOM 0 H GLY A 44 16.686 19.976 4.321 1.00 0.00 H new ATOM 0 HA2 GLY A 44 17.305 18.003 5.182 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.628 17.676 5.573 1.00 0.00 H new ATOM 353 N GLU A 45 16.413 15.636 4.016 1.00 0.00 N ATOM 354 CA GLU A 45 16.268 14.491 3.107 1.00 0.00 C ATOM 355 C GLU A 45 15.124 13.551 3.490 1.00 0.00 C ATOM 356 O GLU A 45 15.026 12.451 2.955 1.00 0.00 O ATOM 357 CB GLU A 45 17.632 13.811 2.952 1.00 0.00 C ATOM 358 CG GLU A 45 18.054 12.949 4.150 1.00 0.00 C ATOM 359 CD GLU A 45 19.561 12.628 4.104 1.00 0.00 C ATOM 360 OE1 GLU A 45 20.386 13.515 4.436 1.00 0.00 O ATOM 361 OE2 GLU A 45 19.934 11.472 3.790 1.00 0.00 O ATOM 0 H GLU A 45 16.657 15.363 4.968 1.00 0.00 H new ATOM 0 HA GLU A 45 15.960 14.848 2.124 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.613 13.185 2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 45 18.389 14.578 2.788 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.819 13.471 5.077 1.00 0.00 H new ATOM 0 HG3 GLU A 45 17.482 12.021 4.153 1.00 0.00 H new ATOM 368 N MET A 46 14.251 13.971 4.408 1.00 0.00 N ATOM 369 CA MET A 46 13.261 13.064 5.003 1.00 0.00 C ATOM 370 C MET A 46 11.820 13.439 4.589 1.00 0.00 C ATOM 371 O MET A 46 11.164 14.265 5.227 1.00 0.00 O ATOM 372 CB MET A 46 13.413 13.048 6.537 1.00 0.00 C ATOM 373 CG MET A 46 14.812 12.644 7.021 1.00 0.00 C ATOM 374 SD MET A 46 15.343 10.964 6.590 1.00 0.00 S ATOM 375 CE MET A 46 14.314 10.015 7.746 1.00 0.00 C ATOM 0 H MET A 46 14.207 14.929 4.756 1.00 0.00 H new ATOM 0 HA MET A 46 13.450 12.060 4.623 1.00 0.00 H new ATOM 0 HB2 MET A 46 13.177 14.039 6.926 1.00 0.00 H new ATOM 0 HB3 MET A 46 12.681 12.358 6.957 1.00 0.00 H new ATOM 0 HG2 MET A 46 15.535 13.349 6.611 1.00 0.00 H new ATOM 0 HG3 MET A 46 14.844 12.748 8.106 1.00 0.00 H new ATOM 0 HE1 MET A 46 14.376 8.954 7.502 1.00 0.00 H new ATOM 0 HE2 MET A 46 14.669 10.175 8.764 1.00 0.00 H new ATOM 0 HE3 MET A 46 13.278 10.345 7.667 1.00 0.00 H new ATOM 385 N PHE A 47 11.322 12.809 3.522 1.00 0.00 N ATOM 386 CA PHE A 47 9.964 12.969 2.962 1.00 0.00 C ATOM 387 C PHE A 47 9.421 11.630 2.407 1.00 0.00 C ATOM 388 O PHE A 47 10.069 10.992 1.584 1.00 0.00 O ATOM 389 CB PHE A 47 9.959 14.073 1.874 1.00 0.00 C ATOM 390 CG PHE A 47 11.311 14.641 1.474 1.00 0.00 C ATOM 391 CD1 PHE A 47 12.251 13.816 0.831 1.00 0.00 C ATOM 392 CD2 PHE A 47 11.653 15.970 1.790 1.00 0.00 C ATOM 393 CE1 PHE A 47 13.527 14.311 0.519 1.00 0.00 C ATOM 394 CE2 PHE A 47 12.922 16.471 1.448 1.00 0.00 C ATOM 395 CZ PHE A 47 13.854 15.647 0.799 1.00 0.00 C ATOM 0 H PHE A 47 11.878 12.137 2.993 1.00 0.00 H new ATOM 0 HA PHE A 47 9.297 13.277 3.767 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.482 13.669 0.981 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.335 14.895 2.225 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.991 12.799 0.577 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.940 16.605 2.295 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.259 13.662 0.062 1.00 0.00 H new ATOM 0 HE2 PHE A 47 13.180 17.493 1.686 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.820 16.039 0.516 1.00 0.00 H new ATOM 405 N THR A 48 8.237 11.183 2.834 1.00 0.00 N ATOM 406 CA THR A 48 7.648 9.868 2.455 1.00 0.00 C ATOM 407 C THR A 48 7.103 9.875 1.016 1.00 0.00 C ATOM 408 O THR A 48 7.083 10.922 0.379 1.00 0.00 O ATOM 409 CB THR A 48 6.586 9.417 3.492 1.00 0.00 C ATOM 410 OG1 THR A 48 6.077 10.526 4.207 1.00 0.00 O ATOM 411 CG2 THR A 48 7.200 8.461 4.522 1.00 0.00 C ATOM 0 H THR A 48 7.641 11.722 3.462 1.00 0.00 H new ATOM 0 HA THR A 48 8.447 9.127 2.470 1.00 0.00 H new ATOM 0 HB THR A 48 5.791 8.922 2.934 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.408 10.219 4.854 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.436 8.159 5.238 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.590 7.579 4.013 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.011 8.965 5.048 1.00 0.00 H new ATOM 419 N VAL A 49 6.646 8.739 0.456 1.00 0.00 N ATOM 420 CA VAL A 49 6.225 8.654 -0.976 1.00 0.00 C ATOM 421 C VAL A 49 5.172 9.707 -1.356 1.00 0.00 C ATOM 422 O VAL A 49 5.239 10.305 -2.429 1.00 0.00 O ATOM 423 CB VAL A 49 5.749 7.229 -1.351 1.00 0.00 C ATOM 424 CG1 VAL A 49 4.473 6.772 -0.634 1.00 0.00 C ATOM 425 CG2 VAL A 49 5.559 7.062 -2.861 1.00 0.00 C ATOM 0 H VAL A 49 6.555 7.860 0.966 1.00 0.00 H new ATOM 0 HA VAL A 49 7.116 8.877 -1.563 1.00 0.00 H new ATOM 0 HB VAL A 49 6.560 6.588 -1.005 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.215 5.764 -0.958 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.640 6.776 0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.656 7.451 -0.877 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.225 6.047 -3.076 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.812 7.772 -3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.505 7.248 -3.369 1.00 0.00 H new ATOM 435 N LYS A 50 4.268 10.002 -0.417 1.00 0.00 N ATOM 436 CA LYS A 50 3.225 11.038 -0.519 1.00 0.00 C ATOM 437 C LYS A 50 3.806 12.442 -0.733 1.00 0.00 C ATOM 438 O LYS A 50 3.258 13.234 -1.497 1.00 0.00 O ATOM 439 CB LYS A 50 2.393 11.007 0.773 1.00 0.00 C ATOM 440 CG LYS A 50 1.565 9.717 0.918 1.00 0.00 C ATOM 441 CD LYS A 50 0.823 9.645 2.261 1.00 0.00 C ATOM 442 CE LYS A 50 1.781 9.434 3.447 1.00 0.00 C ATOM 443 NZ LYS A 50 1.026 9.201 4.710 1.00 0.00 N ATOM 0 H LYS A 50 4.238 9.507 0.474 1.00 0.00 H new ATOM 0 HA LYS A 50 2.608 10.821 -1.391 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.058 11.105 1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.723 11.867 0.789 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.843 9.659 0.104 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.223 8.853 0.823 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.259 10.565 2.412 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.100 8.830 2.231 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.432 8.583 3.246 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.424 10.307 3.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.695 9.062 5.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.424 10.024 4.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.431 8.354 4.608 1.00 0.00 H new ATOM 457 N GLU A 51 4.940 12.724 -0.094 1.00 0.00 N ATOM 458 CA GLU A 51 5.705 13.965 -0.231 1.00 0.00 C ATOM 459 C GLU A 51 6.574 13.947 -1.498 1.00 0.00 C ATOM 460 O GLU A 51 6.526 14.888 -2.284 1.00 0.00 O ATOM 461 CB GLU A 51 6.583 14.160 1.020 1.00 0.00 C ATOM 462 CG GLU A 51 5.811 14.293 2.339 1.00 0.00 C ATOM 463 CD GLU A 51 4.880 15.522 2.345 1.00 0.00 C ATOM 464 OE1 GLU A 51 5.366 16.655 2.581 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.654 15.365 2.125 1.00 0.00 O ATOM 0 H GLU A 51 5.369 12.069 0.560 1.00 0.00 H new ATOM 0 HA GLU A 51 5.008 14.798 -0.323 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.267 13.315 1.100 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.193 15.053 0.882 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.222 13.391 2.506 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.517 14.370 3.166 1.00 0.00 H new ATOM 472 N VAL A 52 7.327 12.864 -1.739 1.00 0.00 N ATOM 473 CA VAL A 52 8.240 12.721 -2.893 1.00 0.00 C ATOM 474 C VAL A 52 7.507 12.915 -4.216 1.00 0.00 C ATOM 475 O VAL A 52 7.923 13.738 -5.030 1.00 0.00 O ATOM 476 CB VAL A 52 8.947 11.348 -2.872 1.00 0.00 C ATOM 477 CG1 VAL A 52 9.718 11.011 -4.157 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.948 11.298 -1.717 1.00 0.00 C ATOM 0 H VAL A 52 7.322 12.046 -1.130 1.00 0.00 H new ATOM 0 HA VAL A 52 8.994 13.504 -2.807 1.00 0.00 H new ATOM 0 HB VAL A 52 8.145 10.617 -2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.183 10.030 -4.056 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.030 11.001 -5.002 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.489 11.762 -4.326 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.444 10.327 -1.707 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.692 12.084 -1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.423 11.447 -0.774 1.00 0.00 H new ATOM 488 N MET A 53 6.399 12.202 -4.435 1.00 0.00 N ATOM 489 CA MET A 53 5.684 12.286 -5.712 1.00 0.00 C ATOM 490 C MET A 53 5.012 13.652 -5.887 1.00 0.00 C ATOM 491 O MET A 53 5.041 14.205 -6.985 1.00 0.00 O ATOM 492 CB MET A 53 4.699 11.118 -5.866 1.00 0.00 C ATOM 493 CG MET A 53 5.392 9.747 -5.787 1.00 0.00 C ATOM 494 SD MET A 53 6.893 9.520 -6.789 1.00 0.00 S ATOM 495 CE MET A 53 6.209 9.602 -8.465 1.00 0.00 C ATOM 0 H MET A 53 5.981 11.568 -3.754 1.00 0.00 H new ATOM 0 HA MET A 53 6.412 12.196 -6.519 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.939 11.183 -5.087 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.183 11.206 -6.822 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.649 9.557 -4.745 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.670 8.985 -6.081 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.766 10.334 -9.050 1.00 0.00 H new ATOM 0 HE2 MET A 53 6.287 8.623 -8.938 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.161 9.898 -8.416 1.00 0.00 H new ATOM 505 N HIS A 54 4.519 14.261 -4.802 1.00 0.00 N ATOM 506 CA HIS A 54 4.021 15.643 -4.821 1.00 0.00 C ATOM 507 C HIS A 54 5.124 16.631 -5.215 1.00 0.00 C ATOM 508 O HIS A 54 4.928 17.464 -6.098 1.00 0.00 O ATOM 509 CB HIS A 54 3.421 15.996 -3.452 1.00 0.00 C ATOM 510 CG HIS A 54 2.717 17.333 -3.411 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.889 17.853 -4.411 1.00 0.00 N ATOM 512 CD2 HIS A 54 2.759 18.216 -2.371 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.454 19.039 -3.951 1.00 0.00 C ATOM 514 NE2 HIS A 54 1.962 19.282 -2.730 1.00 0.00 N ATOM 0 H HIS A 54 4.454 13.812 -3.888 1.00 0.00 H new ATOM 0 HA HIS A 54 3.240 15.720 -5.577 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.715 15.217 -3.166 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.217 15.994 -2.707 1.00 0.00 H new ATOM 0 HD2 HIS A 54 3.309 18.102 -1.448 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.791 19.702 -4.486 1.00 0.00 H new ATOM 0 HE2 HIS A 54 1.787 20.113 -2.166 1.00 0.00 H new ATOM 522 N TYR A 55 6.319 16.527 -4.628 1.00 0.00 N ATOM 523 CA TYR A 55 7.467 17.354 -5.014 1.00 0.00 C ATOM 524 C TYR A 55 7.896 17.134 -6.472 1.00 0.00 C ATOM 525 O TYR A 55 8.168 18.118 -7.154 1.00 0.00 O ATOM 526 CB TYR A 55 8.631 17.163 -4.029 1.00 0.00 C ATOM 527 CG TYR A 55 8.458 17.886 -2.700 1.00 0.00 C ATOM 528 CD1 TYR A 55 8.268 19.284 -2.673 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.504 17.168 -1.488 1.00 0.00 C ATOM 530 CE1 TYR A 55 8.096 19.955 -1.447 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.329 17.834 -0.258 1.00 0.00 C ATOM 532 CZ TYR A 55 8.119 19.231 -0.235 1.00 0.00 C ATOM 533 OH TYR A 55 7.955 19.891 0.946 1.00 0.00 O ATOM 0 H TYR A 55 6.519 15.870 -3.874 1.00 0.00 H new ATOM 0 HA TYR A 55 7.149 18.395 -4.957 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.755 16.098 -3.835 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.550 17.511 -4.500 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.254 19.842 -3.597 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.674 16.102 -1.502 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.946 21.024 -1.434 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.355 17.277 0.667 1.00 0.00 H new ATOM 0 HH TYR A 55 7.995 19.251 1.687 1.00 0.00 H new ATOM 543 N LEU A 56 7.877 15.905 -7.000 1.00 0.00 N ATOM 544 CA LEU A 56 8.235 15.640 -8.402 1.00 0.00 C ATOM 545 C LEU A 56 7.197 16.212 -9.381 1.00 0.00 C ATOM 546 O LEU A 56 7.579 16.854 -10.356 1.00 0.00 O ATOM 547 CB LEU A 56 8.460 14.131 -8.632 1.00 0.00 C ATOM 548 CG LEU A 56 9.933 13.692 -8.548 1.00 0.00 C ATOM 549 CD1 LEU A 56 10.540 13.887 -7.160 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.048 12.210 -8.904 1.00 0.00 C ATOM 0 H LEU A 56 7.616 15.071 -6.474 1.00 0.00 H new ATOM 0 HA LEU A 56 9.173 16.157 -8.605 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.884 13.573 -7.894 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.068 13.862 -9.613 1.00 0.00 H new ATOM 0 HG LEU A 56 10.480 14.321 -9.250 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.579 13.559 -7.168 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.495 14.942 -6.888 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.980 13.300 -6.432 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.092 11.901 -8.844 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.454 11.621 -8.205 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.680 12.050 -9.917 1.00 0.00 H new ATOM 562 N GLY A 57 5.899 16.048 -9.108 1.00 0.00 N ATOM 563 CA GLY A 57 4.829 16.610 -9.942 1.00 0.00 C ATOM 564 C GLY A 57 4.876 18.141 -9.986 1.00 0.00 C ATOM 565 O GLY A 57 4.890 18.742 -11.064 1.00 0.00 O ATOM 0 H GLY A 57 5.559 15.522 -8.303 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.915 16.216 -10.955 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.862 16.288 -9.555 1.00 0.00 H new ATOM 569 N GLN A 58 5.022 18.772 -8.813 1.00 0.00 N ATOM 570 CA GLN A 58 5.228 20.228 -8.703 1.00 0.00 C ATOM 571 C GLN A 58 6.456 20.670 -9.480 1.00 0.00 C ATOM 572 O GLN A 58 6.370 21.576 -10.296 1.00 0.00 O ATOM 573 CB GLN A 58 5.430 20.656 -7.245 1.00 0.00 C ATOM 574 CG GLN A 58 4.141 20.544 -6.445 1.00 0.00 C ATOM 575 CD GLN A 58 4.403 20.766 -4.959 1.00 0.00 C ATOM 576 OE1 GLN A 58 5.051 19.821 -4.314 1.00 0.00 O flip ATOM 577 NE2 GLN A 58 4.065 21.787 -4.373 1.00 0.00 N flip ATOM 0 H GLN A 58 5.001 18.291 -7.914 1.00 0.00 H new ATOM 0 HA GLN A 58 4.332 20.695 -9.112 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.199 20.035 -6.786 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.790 21.684 -7.214 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.420 21.278 -6.805 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.698 19.560 -6.597 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.562 22.520 -4.874 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.286 21.905 -3.384 1.00 0.00 H new ATOM 586 N TYR A 59 7.585 20.007 -9.256 1.00 0.00 N ATOM 587 CA TYR A 59 8.854 20.312 -9.931 1.00 0.00 C ATOM 588 C TYR A 59 8.736 20.252 -11.462 1.00 0.00 C ATOM 589 O TYR A 59 9.160 21.179 -12.148 1.00 0.00 O ATOM 590 CB TYR A 59 9.931 19.357 -9.423 1.00 0.00 C ATOM 591 CG TYR A 59 11.311 19.590 -10.005 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.672 18.959 -11.209 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.229 20.438 -9.352 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.944 19.180 -11.767 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.509 20.651 -9.903 1.00 0.00 C ATOM 596 CZ TYR A 59 13.869 20.023 -11.116 1.00 0.00 C ATOM 597 OH TYR A 59 15.100 20.229 -11.651 1.00 0.00 O ATOM 0 H TYR A 59 7.652 19.233 -8.595 1.00 0.00 H new ATOM 0 HA TYR A 59 9.130 21.339 -9.691 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.990 19.442 -8.338 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.625 18.335 -9.646 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.972 18.304 -11.706 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.951 20.925 -8.429 1.00 0.00 H new ATOM 0 HE1 TYR A 59 13.214 18.702 -12.697 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.214 21.294 -9.398 1.00 0.00 H new ATOM 0 HH TYR A 59 15.307 19.509 -12.282 1.00 0.00 H new ATOM 607 N ILE A 60 8.088 19.214 -12.001 1.00 0.00 N ATOM 608 CA ILE A 60 7.817 19.060 -13.440 1.00 0.00 C ATOM 609 C ILE A 60 6.942 20.221 -13.947 1.00 0.00 C ATOM 610 O ILE A 60 7.287 20.846 -14.955 1.00 0.00 O ATOM 611 CB ILE A 60 7.234 17.642 -13.691 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.357 16.593 -13.496 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.594 17.433 -15.078 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.852 15.149 -13.406 1.00 0.00 C ATOM 0 H ILE A 60 7.729 18.441 -11.441 1.00 0.00 H new ATOM 0 HA ILE A 60 8.733 19.125 -14.027 1.00 0.00 H new ATOM 0 HB ILE A 60 6.426 17.524 -12.969 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.060 16.670 -14.325 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.909 16.831 -12.587 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.217 16.413 -15.155 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.770 18.135 -15.208 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.341 17.603 -15.853 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.698 14.475 -13.270 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.172 15.053 -12.559 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.326 14.890 -14.325 1.00 0.00 H new ATOM 626 N MET A 61 5.882 20.593 -13.219 1.00 0.00 N ATOM 627 CA MET A 61 5.048 21.763 -13.552 1.00 0.00 C ATOM 628 C MET A 61 5.781 23.110 -13.412 1.00 0.00 C ATOM 629 O MET A 61 5.533 24.021 -14.201 1.00 0.00 O ATOM 630 CB MET A 61 3.770 21.769 -12.696 1.00 0.00 C ATOM 631 CG MET A 61 2.810 20.604 -12.972 1.00 0.00 C ATOM 632 SD MET A 61 2.147 20.497 -14.659 1.00 0.00 S ATOM 633 CE MET A 61 3.354 19.372 -15.409 1.00 0.00 C ATOM 0 H MET A 61 5.576 20.095 -12.383 1.00 0.00 H new ATOM 0 HA MET A 61 4.794 21.660 -14.607 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.053 21.747 -11.644 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.240 22.707 -12.864 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.328 19.672 -12.747 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.972 20.678 -12.278 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.062 19.158 -16.437 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.339 19.838 -15.401 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.388 18.443 -14.840 1.00 0.00 H new ATOM 643 N VAL A 62 6.696 23.251 -12.447 1.00 0.00 N ATOM 644 CA VAL A 62 7.421 24.490 -12.142 1.00 0.00 C ATOM 645 C VAL A 62 8.560 24.749 -13.125 1.00 0.00 C ATOM 646 O VAL A 62 8.715 25.871 -13.613 1.00 0.00 O ATOM 647 CB VAL A 62 7.892 24.414 -10.673 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.070 25.314 -10.320 1.00 0.00 C ATOM 649 CG2 VAL A 62 6.730 24.754 -9.735 1.00 0.00 C ATOM 0 H VAL A 62 6.962 22.479 -11.835 1.00 0.00 H new ATOM 0 HA VAL A 62 6.760 25.349 -12.260 1.00 0.00 H new ATOM 0 HB VAL A 62 8.238 23.388 -10.546 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.323 25.186 -9.267 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.929 25.046 -10.935 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.802 26.354 -10.505 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.069 24.698 -8.701 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.375 25.762 -9.947 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.918 24.043 -9.889 1.00 0.00 H new ATOM 659 N LYS A 63 9.329 23.706 -13.453 1.00 0.00 N ATOM 660 CA LYS A 63 10.421 23.752 -14.436 1.00 0.00 C ATOM 661 C LYS A 63 9.948 23.456 -15.874 1.00 0.00 C ATOM 662 O LYS A 63 10.704 23.696 -16.815 1.00 0.00 O ATOM 663 CB LYS A 63 11.575 22.848 -13.954 1.00 0.00 C ATOM 664 CG LYS A 63 12.219 23.253 -12.616 1.00 0.00 C ATOM 665 CD LYS A 63 12.870 24.644 -12.642 1.00 0.00 C ATOM 666 CE LYS A 63 13.638 24.891 -11.336 1.00 0.00 C ATOM 667 NZ LYS A 63 14.308 26.221 -11.335 1.00 0.00 N ATOM 0 H LYS A 63 9.208 22.784 -13.034 1.00 0.00 H new ATOM 0 HA LYS A 63 10.801 24.772 -14.497 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.201 21.828 -13.863 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.349 22.837 -14.721 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.459 23.232 -11.835 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.973 22.513 -12.347 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.548 24.721 -13.492 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.105 25.410 -12.774 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.951 24.829 -10.492 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.383 24.108 -11.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.817 26.353 -10.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.982 26.271 -12.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.594 26.970 -11.441 1.00 0.00 H new ATOM 681 N GLN A 64 8.694 23.013 -16.059 1.00 0.00 N ATOM 682 CA GLN A 64 8.028 22.813 -17.357 1.00 0.00 C ATOM 683 C GLN A 64 8.657 21.704 -18.205 1.00 0.00 C ATOM 684 O GLN A 64 9.077 21.887 -19.349 1.00 0.00 O ATOM 685 CB GLN A 64 7.746 24.134 -18.093 1.00 0.00 C ATOM 686 CG GLN A 64 6.957 25.081 -17.182 1.00 0.00 C ATOM 687 CD GLN A 64 6.349 26.252 -17.950 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.964 27.293 -18.146 1.00 0.00 O ATOM 689 NE2 GLN A 64 5.126 26.129 -18.429 1.00 0.00 N ATOM 0 H GLN A 64 8.089 22.774 -15.273 1.00 0.00 H new ATOM 0 HA GLN A 64 7.036 22.419 -17.137 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.684 24.601 -18.392 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.182 23.939 -19.005 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.163 24.525 -16.684 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.615 25.464 -16.402 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.602 25.268 -18.274 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.705 26.895 -18.955 1.00 0.00 H new ATOM 698 N LEU A 65 8.681 20.517 -17.597 1.00 0.00 N ATOM 699 CA LEU A 65 9.232 19.269 -18.131 1.00 0.00 C ATOM 700 C LEU A 65 8.166 18.462 -18.894 1.00 0.00 C ATOM 701 O LEU A 65 8.145 17.242 -18.807 1.00 0.00 O ATOM 702 CB LEU A 65 9.861 18.483 -16.958 1.00 0.00 C ATOM 703 CG LEU A 65 11.262 18.928 -16.516 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.403 20.414 -16.251 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.628 18.188 -15.228 1.00 0.00 C ATOM 0 H LEU A 65 8.293 20.393 -16.662 1.00 0.00 H new ATOM 0 HA LEU A 65 10.008 19.481 -18.867 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.192 18.555 -16.100 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.908 17.431 -17.238 1.00 0.00 H new ATOM 0 HG LEU A 65 11.925 18.692 -17.348 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.426 20.633 -15.944 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.169 20.969 -17.159 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.715 20.709 -15.458 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.622 18.495 -14.902 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.901 18.428 -14.452 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.622 17.114 -15.411 1.00 0.00 H new ATOM 717 N TYR A 66 7.233 19.106 -19.593 1.00 0.00 N ATOM 718 CA TYR A 66 6.104 18.429 -20.257 1.00 0.00 C ATOM 719 C TYR A 66 5.737 19.053 -21.621 1.00 0.00 C ATOM 720 O TYR A 66 6.159 20.169 -21.939 1.00 0.00 O ATOM 721 CB TYR A 66 4.894 18.452 -19.301 1.00 0.00 C ATOM 722 CG TYR A 66 4.377 19.847 -18.975 1.00 0.00 C ATOM 723 CD1 TYR A 66 4.960 20.598 -17.934 1.00 0.00 C ATOM 724 CD2 TYR A 66 3.319 20.401 -19.721 1.00 0.00 C ATOM 725 CE1 TYR A 66 4.492 21.897 -17.651 1.00 0.00 C ATOM 726 CE2 TYR A 66 2.867 21.710 -19.460 1.00 0.00 C ATOM 727 CZ TYR A 66 3.462 22.466 -18.427 1.00 0.00 C ATOM 728 OH TYR A 66 3.063 23.745 -18.175 1.00 0.00 O ATOM 0 H TYR A 66 7.233 20.118 -19.719 1.00 0.00 H new ATOM 0 HA TYR A 66 6.403 17.404 -20.475 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.085 17.872 -19.745 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.171 17.954 -18.372 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.767 20.177 -17.352 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.850 19.818 -20.500 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.924 22.459 -16.836 1.00 0.00 H new ATOM 0 HE2 TYR A 66 2.067 22.134 -20.049 1.00 0.00 H new ATOM 0 HH TYR A 66 2.346 23.992 -18.795 1.00 0.00 H new ATOM 738 N ASP A 67 4.931 18.349 -22.427 1.00 0.00 N ATOM 739 CA ASP A 67 4.356 18.873 -23.681 1.00 0.00 C ATOM 740 C ASP A 67 2.985 19.534 -23.453 1.00 0.00 C ATOM 741 O ASP A 67 2.147 19.002 -22.725 1.00 0.00 O ATOM 742 CB ASP A 67 4.221 17.752 -24.716 1.00 0.00 C ATOM 743 CG ASP A 67 3.756 18.306 -26.070 1.00 0.00 C ATOM 744 OD1 ASP A 67 2.527 18.393 -26.283 1.00 0.00 O ATOM 745 OD2 ASP A 67 4.617 18.699 -26.893 1.00 0.00 O ATOM 0 H ASP A 67 4.654 17.388 -22.227 1.00 0.00 H new ATOM 0 HA ASP A 67 5.039 19.635 -24.055 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.179 17.246 -24.836 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.509 17.007 -24.360 1.00 0.00 H new ATOM 750 N GLN A 68 2.716 20.673 -24.102 1.00 0.00 N ATOM 751 CA GLN A 68 1.489 21.442 -23.880 1.00 0.00 C ATOM 752 C GLN A 68 0.191 20.786 -24.391 1.00 0.00 C ATOM 753 O GLN A 68 -0.891 21.146 -23.920 1.00 0.00 O ATOM 754 CB GLN A 68 1.684 22.862 -24.437 1.00 0.00 C ATOM 755 CG GLN A 68 1.711 22.937 -25.977 1.00 0.00 C ATOM 756 CD GLN A 68 1.940 24.351 -26.523 1.00 0.00 C ATOM 757 OE1 GLN A 68 2.064 25.338 -25.806 1.00 0.00 O ATOM 758 NE2 GLN A 68 2.005 24.510 -27.830 1.00 0.00 N ATOM 0 H GLN A 68 3.342 21.085 -24.794 1.00 0.00 H new ATOM 0 HA GLN A 68 1.333 21.477 -22.802 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.881 23.499 -24.067 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.618 23.268 -24.048 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.498 22.282 -26.350 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.767 22.555 -26.367 1.00 0.00 H new ATOM 0 HE21 GLN A 68 1.905 23.704 -28.447 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.156 25.439 -28.224 1.00 0.00 H new ATOM 767 N GLN A 69 0.280 19.819 -25.309 1.00 0.00 N ATOM 768 CA GLN A 69 -0.848 19.018 -25.804 1.00 0.00 C ATOM 769 C GLN A 69 -0.836 17.598 -25.215 1.00 0.00 C ATOM 770 O GLN A 69 -1.896 17.035 -24.935 1.00 0.00 O ATOM 771 CB GLN A 69 -0.807 19.018 -27.343 1.00 0.00 C ATOM 772 CG GLN A 69 -2.059 18.406 -27.995 1.00 0.00 C ATOM 773 CD GLN A 69 -1.879 16.957 -28.455 1.00 0.00 C ATOM 774 OE1 GLN A 69 -1.489 16.678 -29.583 1.00 0.00 O ATOM 775 NE2 GLN A 69 -2.164 15.978 -27.622 1.00 0.00 N ATOM 0 H GLN A 69 1.167 19.562 -25.743 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.788 19.462 -25.476 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.689 20.043 -27.695 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.072 18.465 -27.674 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.884 18.450 -27.284 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.344 19.016 -28.853 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.490 16.189 -26.679 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.059 15.008 -27.920 1.00 0.00 H new ATOM 784 N GLU A 70 0.348 17.029 -24.983 1.00 0.00 N ATOM 785 CA GLU A 70 0.550 15.719 -24.341 1.00 0.00 C ATOM 786 C GLU A 70 0.976 15.905 -22.877 1.00 0.00 C ATOM 787 O GLU A 70 2.067 15.516 -22.469 1.00 0.00 O ATOM 788 CB GLU A 70 1.497 14.827 -25.169 1.00 0.00 C ATOM 789 CG GLU A 70 0.906 14.475 -26.540 1.00 0.00 C ATOM 790 CD GLU A 70 1.786 13.446 -27.273 1.00 0.00 C ATOM 791 OE1 GLU A 70 1.569 12.221 -27.096 1.00 0.00 O ATOM 792 OE2 GLU A 70 2.689 13.847 -28.048 1.00 0.00 O ATOM 0 H GLU A 70 1.226 17.479 -25.244 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.396 15.177 -24.316 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.449 15.339 -25.306 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.705 13.910 -24.618 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.100 14.074 -26.414 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.816 15.378 -27.144 1.00 0.00 H new ATOM 799 N GLN A 71 0.108 16.528 -22.071 1.00 0.00 N ATOM 800 CA GLN A 71 0.427 16.949 -20.695 1.00 0.00 C ATOM 801 C GLN A 71 0.643 15.766 -19.729 1.00 0.00 C ATOM 802 O GLN A 71 1.286 15.918 -18.692 1.00 0.00 O ATOM 803 CB GLN A 71 -0.670 17.898 -20.179 1.00 0.00 C ATOM 804 CG GLN A 71 -0.770 19.192 -21.012 1.00 0.00 C ATOM 805 CD GLN A 71 -1.867 20.152 -20.545 1.00 0.00 C ATOM 806 OE1 GLN A 71 -2.439 20.045 -19.467 1.00 0.00 O ATOM 807 NE2 GLN A 71 -2.205 21.140 -21.348 1.00 0.00 N ATOM 0 H GLN A 71 -0.844 16.758 -22.355 1.00 0.00 H new ATOM 0 HA GLN A 71 1.380 17.476 -20.729 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.630 17.383 -20.197 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.465 18.154 -19.139 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.189 19.709 -20.977 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.952 18.928 -22.054 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.740 21.246 -22.250 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.931 21.799 -21.068 1.00 0.00 H new ATOM 816 N HIS A 72 0.150 14.572 -20.078 1.00 0.00 N ATOM 817 CA HIS A 72 0.428 13.296 -19.402 1.00 0.00 C ATOM 818 C HIS A 72 1.836 12.739 -19.704 1.00 0.00 C ATOM 819 O HIS A 72 2.299 11.819 -19.026 1.00 0.00 O ATOM 820 CB HIS A 72 -0.651 12.301 -19.854 1.00 0.00 C ATOM 821 CG HIS A 72 -0.595 12.019 -21.339 1.00 0.00 C ATOM 822 ND1 HIS A 72 -1.158 12.817 -22.343 1.00 0.00 N ATOM 823 CD2 HIS A 72 0.105 11.005 -21.923 1.00 0.00 C ATOM 824 CE1 HIS A 72 -0.806 12.243 -23.507 1.00 0.00 C ATOM 825 NE2 HIS A 72 -0.043 11.158 -23.285 1.00 0.00 N ATOM 0 H HIS A 72 -0.480 14.462 -20.872 1.00 0.00 H new ATOM 0 HA HIS A 72 0.405 13.456 -18.324 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.531 11.367 -19.306 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.634 12.696 -19.600 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.666 10.233 -21.417 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -1.095 12.603 -24.483 1.00 0.00 H new ATOM 0 HE2 HIS A 72 0.357 10.552 -24.001 1.00 0.00 H new ATOM 833 N MET A 73 2.514 13.278 -20.720 1.00 0.00 N ATOM 834 CA MET A 73 3.849 12.885 -21.163 1.00 0.00 C ATOM 835 C MET A 73 4.900 13.883 -20.656 1.00 0.00 C ATOM 836 O MET A 73 4.745 15.102 -20.780 1.00 0.00 O ATOM 837 CB MET A 73 3.856 12.766 -22.696 1.00 0.00 C ATOM 838 CG MET A 73 5.088 12.046 -23.203 1.00 0.00 C ATOM 839 SD MET A 73 5.113 10.293 -22.781 1.00 0.00 S ATOM 840 CE MET A 73 6.823 10.072 -23.261 1.00 0.00 C ATOM 0 H MET A 73 2.126 14.036 -21.281 1.00 0.00 H new ATOM 0 HA MET A 73 4.109 11.913 -20.743 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.964 12.232 -23.022 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.811 13.762 -23.137 1.00 0.00 H new ATOM 0 HG2 MET A 73 5.143 12.153 -24.286 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.976 12.525 -22.790 1.00 0.00 H new ATOM 0 HE1 MET A 73 6.970 9.056 -23.627 1.00 0.00 H new ATOM 0 HE2 MET A 73 7.074 10.782 -24.049 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.468 10.244 -22.399 1.00 0.00 H new ATOM 850 N VAL A 74 5.989 13.365 -20.088 1.00 0.00 N ATOM 851 CA VAL A 74 7.083 14.145 -19.508 1.00 0.00 C ATOM 852 C VAL A 74 8.227 14.181 -20.519 1.00 0.00 C ATOM 853 O VAL A 74 8.557 13.165 -21.129 1.00 0.00 O ATOM 854 CB VAL A 74 7.498 13.579 -18.132 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.565 14.436 -17.440 1.00 0.00 C ATOM 856 CG2 VAL A 74 6.286 13.531 -17.186 1.00 0.00 C ATOM 0 H VAL A 74 6.139 12.359 -20.016 1.00 0.00 H new ATOM 0 HA VAL A 74 6.767 15.170 -19.312 1.00 0.00 H new ATOM 0 HB VAL A 74 7.899 12.585 -18.327 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.820 13.993 -16.477 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.456 14.482 -18.065 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.178 15.443 -17.285 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.594 13.130 -16.220 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.890 14.537 -17.051 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.515 12.892 -17.615 1.00 0.00 H new ATOM 866 N TYR A 75 8.818 15.360 -20.692 1.00 0.00 N ATOM 867 CA TYR A 75 9.903 15.689 -21.617 1.00 0.00 C ATOM 868 C TYR A 75 11.004 16.452 -20.874 1.00 0.00 C ATOM 869 O TYR A 75 11.270 17.637 -21.074 1.00 0.00 O ATOM 870 CB TYR A 75 9.340 16.417 -22.842 1.00 0.00 C ATOM 871 CG TYR A 75 8.680 15.439 -23.788 1.00 0.00 C ATOM 872 CD1 TYR A 75 9.474 14.444 -24.386 1.00 0.00 C ATOM 873 CD2 TYR A 75 7.293 15.473 -24.018 1.00 0.00 C ATOM 874 CE1 TYR A 75 8.889 13.491 -25.235 1.00 0.00 C ATOM 875 CE2 TYR A 75 6.705 14.532 -24.885 1.00 0.00 C ATOM 876 CZ TYR A 75 7.501 13.539 -25.499 1.00 0.00 C ATOM 877 OH TYR A 75 6.924 12.628 -26.332 1.00 0.00 O ATOM 0 H TYR A 75 8.530 16.174 -20.148 1.00 0.00 H new ATOM 0 HA TYR A 75 10.375 14.784 -22.001 1.00 0.00 H new ATOM 0 HB2 TYR A 75 8.617 17.168 -22.524 1.00 0.00 H new ATOM 0 HB3 TYR A 75 10.142 16.945 -23.358 1.00 0.00 H new ATOM 0 HD1 TYR A 75 10.536 14.413 -24.192 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.681 16.218 -23.531 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.499 12.722 -25.686 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.644 14.569 -25.081 1.00 0.00 H new ATOM 0 HH TYR A 75 5.963 12.808 -26.399 1.00 0.00 H new ATOM 887 N CYS A 76 11.620 15.713 -19.959 1.00 0.00 N ATOM 888 CA CYS A 76 12.684 16.136 -19.043 1.00 0.00 C ATOM 889 C CYS A 76 14.111 16.133 -19.629 1.00 0.00 C ATOM 890 O CYS A 76 15.071 16.282 -18.878 1.00 0.00 O ATOM 891 CB CYS A 76 12.551 15.349 -17.724 1.00 0.00 C ATOM 892 SG CYS A 76 12.279 13.565 -17.978 1.00 0.00 S ATOM 0 H CYS A 76 11.375 14.732 -19.824 1.00 0.00 H new ATOM 0 HA CYS A 76 12.534 17.197 -18.846 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.454 15.492 -17.131 1.00 0.00 H new ATOM 0 HB3 CYS A 76 11.722 15.758 -17.146 1.00 0.00 H new ATOM 0 HG CYS A 76 12.179 12.973 -16.825 1.00 0.00 H new ATOM 898 N GLY A 77 14.282 16.019 -20.950 1.00 0.00 N ATOM 899 CA GLY A 77 15.596 16.034 -21.618 1.00 0.00 C ATOM 900 C GLY A 77 16.388 17.344 -21.532 1.00 0.00 C ATOM 901 O GLY A 77 17.591 17.346 -21.800 1.00 0.00 O ATOM 0 H GLY A 77 13.502 15.912 -21.599 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.206 15.237 -21.191 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.447 15.793 -22.671 1.00 0.00 H new ATOM 905 N GLY A 78 15.748 18.442 -21.117 1.00 0.00 N ATOM 906 CA GLY A 78 16.404 19.709 -20.791 1.00 0.00 C ATOM 907 C GLY A 78 16.752 19.863 -19.305 1.00 0.00 C ATOM 908 O GLY A 78 17.275 20.914 -18.929 1.00 0.00 O ATOM 0 H GLY A 78 14.736 18.473 -20.996 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.318 19.796 -21.379 1.00 0.00 H new ATOM 0 HA3 GLY A 78 15.753 20.531 -21.089 1.00 0.00 H new ATOM 912 N ASP A 79 16.452 18.869 -18.452 1.00 0.00 N ATOM 913 CA ASP A 79 16.540 19.004 -16.994 1.00 0.00 C ATOM 914 C ASP A 79 17.452 17.988 -16.286 1.00 0.00 C ATOM 915 O ASP A 79 17.542 16.811 -16.658 1.00 0.00 O ATOM 916 CB ASP A 79 15.139 18.966 -16.375 1.00 0.00 C ATOM 917 CG ASP A 79 15.152 19.705 -15.030 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.061 20.954 -15.025 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.324 19.032 -13.989 1.00 0.00 O ATOM 0 H ASP A 79 16.141 17.947 -18.759 1.00 0.00 H new ATOM 0 HA ASP A 79 17.015 19.972 -16.833 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.419 19.430 -17.050 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.821 17.933 -16.231 1.00 0.00 H new ATOM 924 N LEU A 80 18.047 18.441 -15.175 1.00 0.00 N ATOM 925 CA LEU A 80 18.795 17.605 -14.236 1.00 0.00 C ATOM 926 C LEU A 80 17.971 16.407 -13.744 1.00 0.00 C ATOM 927 O LEU A 80 18.533 15.326 -13.616 1.00 0.00 O ATOM 928 CB LEU A 80 19.256 18.454 -13.035 1.00 0.00 C ATOM 929 CG LEU A 80 20.241 19.592 -13.369 1.00 0.00 C ATOM 930 CD1 LEU A 80 20.573 20.368 -12.094 1.00 0.00 C ATOM 931 CD2 LEU A 80 21.551 19.077 -13.970 1.00 0.00 C ATOM 0 H LEU A 80 18.019 19.423 -14.900 1.00 0.00 H new ATOM 0 HA LEU A 80 19.662 17.209 -14.766 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.376 18.886 -12.558 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.723 17.795 -12.304 1.00 0.00 H new ATOM 0 HG LEU A 80 19.754 20.229 -14.107 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.269 21.173 -12.329 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.659 20.790 -11.676 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.028 19.695 -11.367 1.00 0.00 H new ATOM 0 HD21 LEU A 80 22.208 19.919 -14.186 1.00 0.00 H new ATOM 0 HD22 LEU A 80 22.039 18.409 -13.260 1.00 0.00 H new ATOM 0 HD23 LEU A 80 21.340 18.535 -14.892 1.00 0.00 H new ATOM 943 N LEU A 81 16.654 16.544 -13.536 1.00 0.00 N ATOM 944 CA LEU A 81 15.794 15.411 -13.175 1.00 0.00 C ATOM 945 C LEU A 81 15.827 14.318 -14.256 1.00 0.00 C ATOM 946 O LEU A 81 16.072 13.165 -13.923 1.00 0.00 O ATOM 947 CB LEU A 81 14.366 15.910 -12.868 1.00 0.00 C ATOM 948 CG LEU A 81 13.324 14.803 -12.592 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.705 13.866 -11.442 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.975 15.434 -12.244 1.00 0.00 C ATOM 0 H LEU A 81 16.160 17.433 -13.612 1.00 0.00 H new ATOM 0 HA LEU A 81 16.178 14.946 -12.267 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.408 16.570 -12.002 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.020 16.510 -13.710 1.00 0.00 H new ATOM 0 HG LEU A 81 13.277 14.212 -13.506 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.925 13.117 -11.310 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.648 13.371 -11.673 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.814 14.443 -10.524 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.245 14.648 -12.051 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.083 16.056 -11.355 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.635 16.048 -13.078 1.00 0.00 H new ATOM 962 N GLY A 82 15.652 14.647 -15.541 1.00 0.00 N ATOM 963 CA GLY A 82 15.708 13.640 -16.615 1.00 0.00 C ATOM 964 C GLY A 82 17.101 13.016 -16.764 1.00 0.00 C ATOM 965 O GLY A 82 17.245 11.795 -16.896 1.00 0.00 O ATOM 0 H GLY A 82 15.471 15.597 -15.865 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.982 12.854 -16.410 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.418 14.103 -17.558 1.00 0.00 H new ATOM 969 N GLU A 83 18.142 13.847 -16.698 1.00 0.00 N ATOM 970 CA GLU A 83 19.544 13.408 -16.798 1.00 0.00 C ATOM 971 C GLU A 83 19.927 12.430 -15.681 1.00 0.00 C ATOM 972 O GLU A 83 20.449 11.345 -15.947 1.00 0.00 O ATOM 973 CB GLU A 83 20.469 14.626 -16.703 1.00 0.00 C ATOM 974 CG GLU A 83 20.294 15.605 -17.861 1.00 0.00 C ATOM 975 CD GLU A 83 21.278 15.314 -19.010 1.00 0.00 C ATOM 976 OE1 GLU A 83 21.062 14.336 -19.767 1.00 0.00 O ATOM 977 OE2 GLU A 83 22.280 16.055 -19.163 1.00 0.00 O ATOM 0 H GLU A 83 18.040 14.854 -16.573 1.00 0.00 H new ATOM 0 HA GLU A 83 19.654 12.900 -17.756 1.00 0.00 H new ATOM 0 HB2 GLU A 83 20.279 15.146 -15.764 1.00 0.00 H new ATOM 0 HB3 GLU A 83 21.504 14.287 -16.676 1.00 0.00 H new ATOM 0 HG2 GLU A 83 19.272 15.547 -18.235 1.00 0.00 H new ATOM 0 HG3 GLU A 83 20.445 16.623 -17.502 1.00 0.00 H new ATOM 984 N LEU A 84 19.644 12.810 -14.432 1.00 0.00 N ATOM 985 CA LEU A 84 19.994 12.026 -13.243 1.00 0.00 C ATOM 986 C LEU A 84 19.050 10.832 -13.001 1.00 0.00 C ATOM 987 O LEU A 84 19.503 9.820 -12.460 1.00 0.00 O ATOM 988 CB LEU A 84 20.097 12.942 -12.007 1.00 0.00 C ATOM 989 CG LEU A 84 21.424 13.708 -11.807 1.00 0.00 C ATOM 990 CD1 LEU A 84 22.595 12.756 -11.542 1.00 0.00 C ATOM 991 CD2 LEU A 84 21.826 14.626 -12.963 1.00 0.00 C ATOM 0 H LEU A 84 19.160 13.681 -14.215 1.00 0.00 H new ATOM 0 HA LEU A 84 20.973 11.584 -13.428 1.00 0.00 H new ATOM 0 HB2 LEU A 84 19.289 13.672 -12.059 1.00 0.00 H new ATOM 0 HB3 LEU A 84 19.920 12.334 -11.120 1.00 0.00 H new ATOM 0 HG LEU A 84 21.219 14.337 -10.941 1.00 0.00 H new ATOM 0 HD11 LEU A 84 23.510 13.333 -11.407 1.00 0.00 H new ATOM 0 HD12 LEU A 84 22.396 12.176 -10.641 1.00 0.00 H new ATOM 0 HD13 LEU A 84 22.714 12.081 -12.389 1.00 0.00 H new ATOM 0 HD21 LEU A 84 22.770 15.117 -12.726 1.00 0.00 H new ATOM 0 HD22 LEU A 84 21.942 14.036 -13.872 1.00 0.00 H new ATOM 0 HD23 LEU A 84 21.053 15.379 -13.115 1.00 0.00 H new ATOM 1003 N LEU A 85 17.778 10.890 -13.430 1.00 0.00 N ATOM 1004 CA LEU A 85 16.900 9.706 -13.431 1.00 0.00 C ATOM 1005 C LEU A 85 17.324 8.707 -14.515 1.00 0.00 C ATOM 1006 O LEU A 85 17.179 7.498 -14.329 1.00 0.00 O ATOM 1007 CB LEU A 85 15.406 10.104 -13.474 1.00 0.00 C ATOM 1008 CG LEU A 85 14.648 10.141 -14.815 1.00 0.00 C ATOM 1009 CD1 LEU A 85 14.076 8.770 -15.195 1.00 0.00 C ATOM 1010 CD2 LEU A 85 13.437 11.072 -14.721 1.00 0.00 C ATOM 0 H LEU A 85 17.336 11.740 -13.779 1.00 0.00 H new ATOM 0 HA LEU A 85 17.021 9.178 -12.485 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.870 9.416 -12.820 1.00 0.00 H new ATOM 0 HB3 LEU A 85 15.324 11.096 -13.030 1.00 0.00 H new ATOM 0 HG LEU A 85 15.375 10.476 -15.555 1.00 0.00 H new ATOM 0 HD11 LEU A 85 13.551 8.846 -16.147 1.00 0.00 H new ATOM 0 HD12 LEU A 85 14.889 8.049 -15.285 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.382 8.439 -14.423 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.914 11.086 -15.677 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.762 10.714 -13.943 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.771 12.080 -14.476 1.00 0.00 H new ATOM 1022 N GLY A 86 17.886 9.205 -15.625 1.00 0.00 N ATOM 1023 CA GLY A 86 18.459 8.373 -16.687 1.00 0.00 C ATOM 1024 C GLY A 86 17.485 8.081 -17.829 1.00 0.00 C ATOM 1025 O GLY A 86 17.844 7.366 -18.768 1.00 0.00 O ATOM 0 H GLY A 86 17.955 10.206 -15.811 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.341 8.871 -17.091 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.795 7.429 -16.257 1.00 0.00 H new ATOM 1029 N ARG A 87 16.273 8.656 -17.781 1.00 0.00 N ATOM 1030 CA ARG A 87 15.314 8.658 -18.897 1.00 0.00 C ATOM 1031 C ARG A 87 14.812 10.082 -19.112 1.00 0.00 C ATOM 1032 O ARG A 87 14.341 10.728 -18.181 1.00 0.00 O ATOM 1033 CB ARG A 87 14.173 7.643 -18.647 1.00 0.00 C ATOM 1034 CG ARG A 87 13.796 6.842 -19.905 1.00 0.00 C ATOM 1035 CD ARG A 87 14.832 5.752 -20.217 1.00 0.00 C ATOM 1036 NE ARG A 87 14.506 5.045 -21.472 1.00 0.00 N ATOM 1037 CZ ARG A 87 15.319 4.283 -22.185 1.00 0.00 C ATOM 1038 NH1 ARG A 87 16.553 4.056 -21.828 1.00 0.00 N ATOM 1039 NH2 ARG A 87 14.903 3.726 -23.287 1.00 0.00 N ATOM 0 H ARG A 87 15.926 9.140 -16.953 1.00 0.00 H new ATOM 0 HA ARG A 87 15.803 8.332 -19.815 1.00 0.00 H new ATOM 0 HB2 ARG A 87 14.475 6.952 -17.860 1.00 0.00 H new ATOM 0 HB3 ARG A 87 13.294 8.175 -18.284 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.817 6.384 -19.765 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.712 7.519 -20.756 1.00 0.00 H new ATOM 0 HD2 ARG A 87 15.822 6.201 -20.297 1.00 0.00 H new ATOM 0 HD3 ARG A 87 14.871 5.038 -19.394 1.00 0.00 H new ATOM 0 HE ARG A 87 13.556 5.156 -21.826 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.921 4.472 -20.973 1.00 0.00 H new ATOM 0 HH12 ARG A 87 17.150 3.462 -22.404 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.945 3.876 -23.605 1.00 0.00 H new ATOM 0 HH22 ARG A 87 15.535 3.140 -23.832 1.00 0.00 H new ATOM 1053 N GLN A 88 14.940 10.582 -20.337 1.00 0.00 N ATOM 1054 CA GLN A 88 14.630 11.976 -20.686 1.00 0.00 C ATOM 1055 C GLN A 88 13.167 12.176 -21.136 1.00 0.00 C ATOM 1056 O GLN A 88 12.744 13.301 -21.405 1.00 0.00 O ATOM 1057 CB GLN A 88 15.682 12.482 -21.686 1.00 0.00 C ATOM 1058 CG GLN A 88 17.055 12.735 -21.019 1.00 0.00 C ATOM 1059 CD GLN A 88 17.893 11.467 -20.834 1.00 0.00 C ATOM 1060 OE1 GLN A 88 18.341 10.848 -21.790 1.00 0.00 O ATOM 1061 NE2 GLN A 88 18.131 11.002 -19.623 1.00 0.00 N ATOM 0 H GLN A 88 15.266 10.029 -21.130 1.00 0.00 H new ATOM 0 HA GLN A 88 14.697 12.597 -19.792 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.799 11.752 -22.487 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.328 13.405 -22.145 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.617 13.446 -21.624 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.896 13.200 -20.046 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.771 11.496 -18.807 1.00 0.00 H new ATOM 0 HE22 GLN A 88 18.676 10.148 -19.503 1.00 0.00 H new ATOM 1070 N SER A 89 12.380 11.098 -21.158 1.00 0.00 N ATOM 1071 CA SER A 89 10.925 11.108 -21.346 1.00 0.00 C ATOM 1072 C SER A 89 10.272 9.862 -20.732 1.00 0.00 C ATOM 1073 O SER A 89 10.849 8.770 -20.737 1.00 0.00 O ATOM 1074 CB SER A 89 10.569 11.245 -22.835 1.00 0.00 C ATOM 1075 OG SER A 89 11.072 10.157 -23.601 1.00 0.00 O ATOM 0 H SER A 89 12.753 10.156 -21.041 1.00 0.00 H new ATOM 0 HA SER A 89 10.527 11.976 -20.822 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.486 11.298 -22.946 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.975 12.180 -23.221 1.00 0.00 H new ATOM 0 HG SER A 89 10.825 10.277 -24.542 1.00 0.00 H new ATOM 1081 N PHE A 90 9.076 10.037 -20.166 1.00 0.00 N ATOM 1082 CA PHE A 90 8.237 8.980 -19.581 1.00 0.00 C ATOM 1083 C PHE A 90 6.771 9.445 -19.498 1.00 0.00 C ATOM 1084 O PHE A 90 6.489 10.630 -19.676 1.00 0.00 O ATOM 1085 CB PHE A 90 8.781 8.563 -18.197 1.00 0.00 C ATOM 1086 CG PHE A 90 8.765 9.635 -17.119 1.00 0.00 C ATOM 1087 CD1 PHE A 90 7.633 9.779 -16.292 1.00 0.00 C ATOM 1088 CD2 PHE A 90 9.885 10.469 -16.919 1.00 0.00 C ATOM 1089 CE1 PHE A 90 7.611 10.764 -15.289 1.00 0.00 C ATOM 1090 CE2 PHE A 90 9.862 11.449 -15.911 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.723 11.603 -15.102 1.00 0.00 C ATOM 0 H PHE A 90 8.644 10.958 -20.098 1.00 0.00 H new ATOM 0 HA PHE A 90 8.271 8.103 -20.227 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.200 7.712 -17.843 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.807 8.218 -18.322 1.00 0.00 H new ATOM 0 HD1 PHE A 90 6.780 9.131 -16.429 1.00 0.00 H new ATOM 0 HD2 PHE A 90 10.761 10.355 -17.541 1.00 0.00 H new ATOM 0 HE1 PHE A 90 6.739 10.876 -14.662 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.721 12.085 -15.758 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.702 12.365 -14.337 1.00 0.00 H new ATOM 1101 N SER A 91 5.835 8.533 -19.225 1.00 0.00 N ATOM 1102 CA SER A 91 4.398 8.837 -19.114 1.00 0.00 C ATOM 1103 C SER A 91 3.854 8.557 -17.713 1.00 0.00 C ATOM 1104 O SER A 91 4.284 7.620 -17.042 1.00 0.00 O ATOM 1105 CB SER A 91 3.618 8.034 -20.156 1.00 0.00 C ATOM 1106 OG SER A 91 2.224 8.258 -20.016 1.00 0.00 O ATOM 0 H SER A 91 6.052 7.548 -19.072 1.00 0.00 H new ATOM 0 HA SER A 91 4.270 9.903 -19.300 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.939 8.319 -21.158 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.835 6.972 -20.042 1.00 0.00 H new ATOM 0 HG SER A 91 1.752 7.871 -20.782 1.00 0.00 H new ATOM 1112 N VAL A 92 2.842 9.321 -17.298 1.00 0.00 N ATOM 1113 CA VAL A 92 2.051 9.052 -16.079 1.00 0.00 C ATOM 1114 C VAL A 92 1.229 7.756 -16.184 1.00 0.00 C ATOM 1115 O VAL A 92 0.896 7.155 -15.161 1.00 0.00 O ATOM 1116 CB VAL A 92 1.126 10.239 -15.742 1.00 0.00 C ATOM 1117 CG1 VAL A 92 1.949 11.505 -15.476 1.00 0.00 C ATOM 1118 CG2 VAL A 92 0.082 10.485 -16.828 1.00 0.00 C ATOM 0 H VAL A 92 2.539 10.156 -17.800 1.00 0.00 H new ATOM 0 HA VAL A 92 2.769 8.921 -15.270 1.00 0.00 H new ATOM 0 HB VAL A 92 0.583 9.978 -14.834 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.279 12.332 -15.240 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.622 11.332 -14.636 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.532 11.753 -16.363 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.545 11.330 -16.545 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.583 10.704 -17.771 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.538 9.596 -16.945 1.00 0.00 H new ATOM 1128 N LYS A 93 0.930 7.300 -17.413 1.00 0.00 N ATOM 1129 CA LYS A 93 0.263 6.029 -17.719 1.00 0.00 C ATOM 1130 C LYS A 93 1.236 4.837 -17.721 1.00 0.00 C ATOM 1131 O LYS A 93 0.838 3.715 -17.408 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.436 6.208 -19.078 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.323 5.013 -19.432 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.149 5.218 -20.714 1.00 0.00 C ATOM 1135 CE LYS A 93 -1.324 5.453 -21.992 1.00 0.00 C ATOM 1136 NZ LYS A 93 -0.487 4.279 -22.365 1.00 0.00 N ATOM 0 H LYS A 93 1.157 7.832 -18.253 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.464 5.790 -16.942 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.041 7.114 -19.057 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.315 6.344 -19.856 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.697 4.129 -19.551 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.000 4.815 -18.601 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.781 4.343 -20.864 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.813 6.070 -20.567 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -1.998 5.689 -22.815 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.680 6.321 -21.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.142 4.394 -23.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.324 4.211 -21.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.057 3.411 -22.299 1.00 0.00 H new ATOM 1150 N ASP A 94 2.511 5.087 -18.030 1.00 0.00 N ATOM 1151 CA ASP A 94 3.581 4.083 -18.125 1.00 0.00 C ATOM 1152 C ASP A 94 4.850 4.532 -17.356 1.00 0.00 C ATOM 1153 O ASP A 94 5.886 4.816 -17.969 1.00 0.00 O ATOM 1154 CB ASP A 94 3.853 3.761 -19.606 1.00 0.00 C ATOM 1155 CG ASP A 94 2.658 3.063 -20.277 1.00 0.00 C ATOM 1156 OD1 ASP A 94 2.546 1.817 -20.168 1.00 0.00 O ATOM 1157 OD2 ASP A 94 1.835 3.749 -20.933 1.00 0.00 O ATOM 0 H ASP A 94 2.842 6.031 -18.229 1.00 0.00 H new ATOM 0 HA ASP A 94 3.258 3.161 -17.641 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.080 4.683 -20.141 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.734 3.123 -19.682 1.00 0.00 H new ATOM 1162 N PRO A 95 4.799 4.602 -16.006 1.00 0.00 N ATOM 1163 CA PRO A 95 5.901 5.044 -15.136 1.00 0.00 C ATOM 1164 C PRO A 95 7.020 3.992 -14.962 1.00 0.00 C ATOM 1165 O PRO A 95 7.676 3.930 -13.922 1.00 0.00 O ATOM 1166 CB PRO A 95 5.215 5.434 -13.819 1.00 0.00 C ATOM 1167 CG PRO A 95 4.053 4.448 -13.743 1.00 0.00 C ATOM 1168 CD PRO A 95 3.608 4.361 -15.198 1.00 0.00 C ATOM 0 HA PRO A 95 6.444 5.882 -15.573 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.887 5.334 -12.967 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.869 6.468 -13.833 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.366 3.479 -13.355 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.255 4.809 -13.094 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.182 3.382 -15.416 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.836 5.100 -15.413 1.00 0.00 H new ATOM 1176 N SER A 96 7.269 3.156 -15.971 1.00 0.00 N ATOM 1177 CA SER A 96 8.238 2.048 -15.928 1.00 0.00 C ATOM 1178 C SER A 96 9.682 2.493 -15.611 1.00 0.00 C ATOM 1179 O SER A 96 10.277 1.918 -14.694 1.00 0.00 O ATOM 1180 CB SER A 96 8.183 1.239 -17.233 1.00 0.00 C ATOM 1181 OG SER A 96 6.851 0.826 -17.520 1.00 0.00 O ATOM 0 H SER A 96 6.791 3.229 -16.869 1.00 0.00 H new ATOM 0 HA SER A 96 7.939 1.412 -15.095 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.566 1.843 -18.056 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.829 0.365 -17.151 1.00 0.00 H new ATOM 0 HG SER A 96 6.840 0.314 -18.356 1.00 0.00 H new ATOM 1187 N PRO A 97 10.255 3.537 -16.258 1.00 0.00 N ATOM 1188 CA PRO A 97 11.565 4.073 -15.867 1.00 0.00 C ATOM 1189 C PRO A 97 11.516 4.876 -14.554 1.00 0.00 C ATOM 1190 O PRO A 97 12.540 5.025 -13.892 1.00 0.00 O ATOM 1191 CB PRO A 97 12.009 4.951 -17.041 1.00 0.00 C ATOM 1192 CG PRO A 97 10.686 5.457 -17.608 1.00 0.00 C ATOM 1193 CD PRO A 97 9.771 4.248 -17.442 1.00 0.00 C ATOM 0 HA PRO A 97 12.268 3.264 -15.667 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.648 5.771 -16.713 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.574 4.382 -17.780 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.316 6.324 -17.061 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.780 5.755 -18.652 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.734 4.558 -17.314 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.806 3.608 -18.323 1.00 0.00 H new ATOM 1201 N LEU A 98 10.344 5.382 -14.150 1.00 0.00 N ATOM 1202 CA LEU A 98 10.175 6.213 -12.953 1.00 0.00 C ATOM 1203 C LEU A 98 10.302 5.374 -11.673 1.00 0.00 C ATOM 1204 O LEU A 98 11.119 5.689 -10.810 1.00 0.00 O ATOM 1205 CB LEU A 98 8.825 6.950 -13.057 1.00 0.00 C ATOM 1206 CG LEU A 98 8.553 7.995 -11.962 1.00 0.00 C ATOM 1207 CD1 LEU A 98 9.508 9.183 -12.067 1.00 0.00 C ATOM 1208 CD2 LEU A 98 7.118 8.500 -12.118 1.00 0.00 C ATOM 0 H LEU A 98 9.472 5.222 -14.655 1.00 0.00 H new ATOM 0 HA LEU A 98 10.969 6.957 -12.894 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.775 7.445 -14.027 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.025 6.210 -13.035 1.00 0.00 H new ATOM 0 HG LEU A 98 8.703 7.524 -10.991 1.00 0.00 H new ATOM 0 HD11 LEU A 98 9.285 9.900 -11.277 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.535 8.834 -11.961 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.386 9.663 -13.038 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.908 9.243 -11.348 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.997 8.953 -13.102 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.425 7.665 -12.015 1.00 0.00 H new ATOM 1220 N TYR A 99 9.579 4.255 -11.572 1.00 0.00 N ATOM 1221 CA TYR A 99 9.764 3.319 -10.454 1.00 0.00 C ATOM 1222 C TYR A 99 11.188 2.753 -10.411 1.00 0.00 C ATOM 1223 O TYR A 99 11.767 2.641 -9.332 1.00 0.00 O ATOM 1224 CB TYR A 99 8.734 2.187 -10.524 1.00 0.00 C ATOM 1225 CG TYR A 99 7.374 2.596 -9.988 1.00 0.00 C ATOM 1226 CD1 TYR A 99 7.189 2.718 -8.596 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.310 2.881 -10.865 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.943 3.125 -8.080 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.062 3.289 -10.352 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.875 3.412 -8.957 1.00 0.00 C ATOM 1231 OH TYR A 99 3.673 3.805 -8.449 1.00 0.00 O ATOM 0 H TYR A 99 8.865 3.975 -12.244 1.00 0.00 H new ATOM 0 HA TYR A 99 9.609 3.878 -9.531 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.629 1.861 -11.559 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.101 1.332 -9.956 1.00 0.00 H new ATOM 0 HD1 TYR A 99 8.005 2.499 -7.923 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.450 2.787 -11.932 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.805 3.217 -7.013 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.247 3.508 -11.026 1.00 0.00 H new ATOM 0 HH TYR A 99 3.044 3.965 -9.183 1.00 0.00 H new ATOM 1241 N ASP A 100 11.785 2.468 -11.572 1.00 0.00 N ATOM 1242 CA ASP A 100 13.159 1.969 -11.658 1.00 0.00 C ATOM 1243 C ASP A 100 14.185 2.993 -11.145 1.00 0.00 C ATOM 1244 O ASP A 100 15.080 2.638 -10.377 1.00 0.00 O ATOM 1245 CB ASP A 100 13.454 1.575 -13.110 1.00 0.00 C ATOM 1246 CG ASP A 100 14.752 0.763 -13.242 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.846 -0.339 -12.651 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.682 1.218 -13.950 1.00 0.00 O ATOM 0 H ASP A 100 11.329 2.577 -12.478 1.00 0.00 H new ATOM 0 HA ASP A 100 13.251 1.096 -11.012 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.621 0.991 -13.502 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.527 2.475 -13.721 1.00 0.00 H new ATOM 1253 N MET A 101 14.028 4.274 -11.507 1.00 0.00 N ATOM 1254 CA MET A 101 14.884 5.359 -10.998 1.00 0.00 C ATOM 1255 C MET A 101 14.723 5.541 -9.487 1.00 0.00 C ATOM 1256 O MET A 101 15.721 5.658 -8.779 1.00 0.00 O ATOM 1257 CB MET A 101 14.677 6.677 -11.777 1.00 0.00 C ATOM 1258 CG MET A 101 13.704 7.702 -11.167 1.00 0.00 C ATOM 1259 SD MET A 101 14.422 8.841 -9.960 1.00 0.00 S ATOM 1260 CE MET A 101 13.035 10.002 -9.910 1.00 0.00 C ATOM 0 H MET A 101 13.308 4.588 -12.158 1.00 0.00 H new ATOM 0 HA MET A 101 15.918 5.062 -11.171 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.648 7.158 -11.893 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.324 6.428 -12.777 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.267 8.287 -11.976 1.00 0.00 H new ATOM 0 HG3 MET A 101 12.888 7.161 -10.688 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.981 10.462 -8.923 1.00 0.00 H new ATOM 0 HE2 MET A 101 13.181 10.776 -10.663 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.106 9.469 -10.114 1.00 0.00 H new ATOM 1270 N LEU A 102 13.490 5.516 -8.972 1.00 0.00 N ATOM 1271 CA LEU A 102 13.207 5.724 -7.554 1.00 0.00 C ATOM 1272 C LEU A 102 13.861 4.594 -6.755 1.00 0.00 C ATOM 1273 O LEU A 102 14.731 4.873 -5.938 1.00 0.00 O ATOM 1274 CB LEU A 102 11.681 5.826 -7.328 1.00 0.00 C ATOM 1275 CG LEU A 102 11.023 7.102 -7.901 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.507 6.930 -7.979 1.00 0.00 C ATOM 1277 CD2 LEU A 102 11.298 8.345 -7.055 1.00 0.00 C ATOM 0 H LEU A 102 12.656 5.349 -9.534 1.00 0.00 H new ATOM 0 HA LEU A 102 13.630 6.666 -7.204 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.203 4.955 -7.777 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.483 5.782 -6.257 1.00 0.00 H new ATOM 0 HG LEU A 102 11.461 7.243 -8.889 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.058 7.837 -8.384 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.269 6.087 -8.627 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.110 6.744 -6.981 1.00 0.00 H new ATOM 0 HD21 LEU A 102 10.810 9.208 -7.508 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.907 8.194 -6.049 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.373 8.520 -7.005 1.00 0.00 H new ATOM 1289 N ARG A 103 13.578 3.330 -7.098 1.00 0.00 N ATOM 1290 CA ARG A 103 14.099 2.126 -6.419 1.00 0.00 C ATOM 1291 C ARG A 103 15.633 1.975 -6.449 1.00 0.00 C ATOM 1292 O ARG A 103 16.162 1.218 -5.632 1.00 0.00 O ATOM 1293 CB ARG A 103 13.421 0.882 -7.023 1.00 0.00 C ATOM 1294 CG ARG A 103 11.932 0.792 -6.643 1.00 0.00 C ATOM 1295 CD ARG A 103 11.241 -0.347 -7.401 1.00 0.00 C ATOM 1296 NE ARG A 103 9.810 -0.439 -7.046 1.00 0.00 N ATOM 1297 CZ ARG A 103 8.922 -1.275 -7.558 1.00 0.00 C ATOM 1298 NH1 ARG A 103 9.238 -2.145 -8.476 1.00 0.00 N ATOM 1299 NH2 ARG A 103 7.685 -1.255 -7.152 1.00 0.00 N ATOM 0 H ARG A 103 12.962 3.106 -7.879 1.00 0.00 H new ATOM 0 HA ARG A 103 13.854 2.236 -5.363 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.517 0.909 -8.108 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.937 -0.014 -6.679 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.836 0.630 -5.569 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.437 1.737 -6.869 1.00 0.00 H new ATOM 0 HD2 ARG A 103 11.342 -0.186 -8.474 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.736 -1.291 -7.173 1.00 0.00 H new ATOM 0 HE ARG A 103 9.472 0.208 -6.333 1.00 0.00 H new ATOM 0 HH11 ARG A 103 10.196 -2.196 -8.822 1.00 0.00 H new ATOM 0 HH12 ARG A 103 8.527 -2.775 -8.848 1.00 0.00 H new ATOM 0 HH21 ARG A 103 7.395 -0.591 -6.434 1.00 0.00 H new ATOM 0 HH22 ARG A 103 7.006 -1.903 -7.552 1.00 0.00 H new ATOM 1313 N LYS A 104 16.356 2.685 -7.337 1.00 0.00 N ATOM 1314 CA LYS A 104 17.838 2.723 -7.362 1.00 0.00 C ATOM 1315 C LYS A 104 18.446 3.992 -6.750 1.00 0.00 C ATOM 1316 O LYS A 104 19.656 4.046 -6.522 1.00 0.00 O ATOM 1317 CB LYS A 104 18.363 2.404 -8.775 1.00 0.00 C ATOM 1318 CG LYS A 104 18.403 3.604 -9.739 1.00 0.00 C ATOM 1319 CD LYS A 104 18.886 3.225 -11.148 1.00 0.00 C ATOM 1320 CE LYS A 104 17.837 2.380 -11.881 1.00 0.00 C ATOM 1321 NZ LYS A 104 18.248 2.034 -13.267 1.00 0.00 N ATOM 0 H LYS A 104 15.927 3.255 -8.066 1.00 0.00 H new ATOM 0 HA LYS A 104 18.187 1.934 -6.696 1.00 0.00 H new ATOM 0 HB2 LYS A 104 19.369 1.993 -8.689 1.00 0.00 H new ATOM 0 HB3 LYS A 104 17.737 1.626 -9.212 1.00 0.00 H new ATOM 0 HG2 LYS A 104 17.407 4.042 -9.808 1.00 0.00 H new ATOM 0 HG3 LYS A 104 19.061 4.371 -9.329 1.00 0.00 H new ATOM 0 HD2 LYS A 104 19.094 4.129 -11.720 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.821 2.670 -11.078 1.00 0.00 H new ATOM 0 HE2 LYS A 104 17.658 1.463 -11.320 1.00 0.00 H new ATOM 0 HE3 LYS A 104 16.893 2.925 -11.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.426 1.676 -13.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 18.620 2.882 -13.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 18.986 1.302 -13.238 1.00 0.00 H new ATOM 1335 N ASN A 105 17.626 5.008 -6.468 1.00 0.00 N ATOM 1336 CA ASN A 105 18.045 6.221 -5.758 1.00 0.00 C ATOM 1337 C ASN A 105 17.607 6.122 -4.289 1.00 0.00 C ATOM 1338 O ASN A 105 18.411 5.942 -3.377 1.00 0.00 O ATOM 1339 CB ASN A 105 17.444 7.440 -6.493 1.00 0.00 C ATOM 1340 CG ASN A 105 18.265 7.867 -7.697 1.00 0.00 C ATOM 1341 OD1 ASN A 105 19.181 8.668 -7.605 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.961 7.332 -8.851 1.00 0.00 N ATOM 0 H ASN A 105 16.640 5.012 -6.729 1.00 0.00 H new ATOM 0 HA ASN A 105 19.129 6.337 -5.754 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.431 7.200 -6.817 1.00 0.00 H new ATOM 0 HB3 ASN A 105 17.367 8.276 -5.797 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.491 7.583 -9.685 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.193 6.663 -8.917 1.00 0.00 H new ATOM 1349 N LEU A 106 16.301 6.218 -4.092 1.00 0.00 N ATOM 1350 CA LEU A 106 15.610 6.151 -2.810 1.00 0.00 C ATOM 1351 C LEU A 106 15.502 4.707 -2.294 1.00 0.00 C ATOM 1352 O LEU A 106 15.420 3.752 -3.073 1.00 0.00 O ATOM 1353 CB LEU A 106 14.183 6.722 -2.985 1.00 0.00 C ATOM 1354 CG LEU A 106 14.011 8.238 -3.203 1.00 0.00 C ATOM 1355 CD1 LEU A 106 14.793 8.848 -4.364 1.00 0.00 C ATOM 1356 CD2 LEU A 106 12.538 8.520 -3.455 1.00 0.00 C ATOM 0 H LEU A 106 15.655 6.353 -4.869 1.00 0.00 H new ATOM 0 HA LEU A 106 16.183 6.730 -2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.726 6.213 -3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.607 6.448 -2.101 1.00 0.00 H new ATOM 0 HG LEU A 106 14.409 8.698 -2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 106 14.591 9.918 -4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 106 15.860 8.687 -4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.487 8.375 -5.297 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.394 9.589 -3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.210 7.976 -4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.953 8.198 -2.593 1.00 0.00 H new ATOM 1368 N VAL A 107 15.457 4.552 -0.968 1.00 0.00 N ATOM 1369 CA VAL A 107 15.075 3.267 -0.351 1.00 0.00 C ATOM 1370 C VAL A 107 13.581 3.037 -0.613 1.00 0.00 C ATOM 1371 O VAL A 107 12.835 3.987 -0.861 1.00 0.00 O ATOM 1372 CB VAL A 107 15.384 3.177 1.157 1.00 0.00 C ATOM 1373 CG1 VAL A 107 16.889 3.311 1.411 1.00 0.00 C ATOM 1374 CG2 VAL A 107 14.600 4.186 2.001 1.00 0.00 C ATOM 0 H VAL A 107 15.678 5.291 -0.300 1.00 0.00 H new ATOM 0 HA VAL A 107 15.682 2.486 -0.810 1.00 0.00 H new ATOM 0 HB VAL A 107 15.053 2.189 1.477 1.00 0.00 H new ATOM 0 HG11 VAL A 107 17.085 3.245 2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 107 17.418 2.510 0.895 1.00 0.00 H new ATOM 0 HG13 VAL A 107 17.237 4.274 1.038 1.00 0.00 H new ATOM 0 HG21 VAL A 107 14.866 4.067 3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 107 14.844 5.198 1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 107 13.531 4.012 1.876 1.00 0.00 H new ATOM 1384 N THR A 108 13.124 1.789 -0.561 1.00 0.00 N ATOM 1385 CA THR A 108 11.733 1.425 -0.880 1.00 0.00 C ATOM 1386 C THR A 108 10.728 2.177 0.009 1.00 0.00 C ATOM 1387 O THR A 108 10.688 1.967 1.223 1.00 0.00 O ATOM 1388 CB THR A 108 11.552 -0.091 -0.722 1.00 0.00 C ATOM 1389 OG1 THR A 108 12.540 -0.773 -1.476 1.00 0.00 O ATOM 1390 CG2 THR A 108 10.190 -0.555 -1.245 1.00 0.00 C ATOM 0 H THR A 108 13.705 0.993 -0.296 1.00 0.00 H new ATOM 0 HA THR A 108 11.534 1.714 -1.912 1.00 0.00 H new ATOM 0 HB THR A 108 11.634 -0.313 0.342 1.00 0.00 H new ATOM 0 HG1 THR A 108 12.422 -1.740 -1.371 1.00 0.00 H new ATOM 0 HG21 THR A 108 10.099 -1.634 -1.116 1.00 0.00 H new ATOM 0 HG22 THR A 108 9.397 -0.055 -0.689 1.00 0.00 H new ATOM 0 HG23 THR A 108 10.103 -0.307 -2.303 1.00 0.00 H new ATOM 1398 N LEU A 109 9.901 3.044 -0.592 1.00 0.00 N ATOM 1399 CA LEU A 109 8.829 3.787 0.089 1.00 0.00 C ATOM 1400 C LEU A 109 7.454 3.145 -0.173 1.00 0.00 C ATOM 1401 O LEU A 109 7.232 2.542 -1.226 1.00 0.00 O ATOM 1402 CB LEU A 109 8.820 5.274 -0.328 1.00 0.00 C ATOM 1403 CG LEU A 109 10.138 6.058 -0.233 1.00 0.00 C ATOM 1404 CD1 LEU A 109 9.901 7.536 -0.544 1.00 0.00 C ATOM 1405 CD2 LEU A 109 10.783 5.979 1.149 1.00 0.00 C ATOM 0 H LEU A 109 9.960 3.254 -1.589 1.00 0.00 H new ATOM 0 HA LEU A 109 9.031 3.738 1.159 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.472 5.329 -1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.081 5.788 0.286 1.00 0.00 H new ATOM 0 HG LEU A 109 10.808 5.598 -0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 109 10.844 8.079 -0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.500 7.636 -1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.190 7.949 0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 109 11.710 6.553 1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 109 10.100 6.389 1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 109 11.000 4.938 1.390 1.00 0.00 H new ATOM 1417 N ALA A 110 6.524 3.304 0.773 1.00 0.00 N ATOM 1418 CA ALA A 110 5.162 2.765 0.698 1.00 0.00 C ATOM 1419 C ALA A 110 4.151 3.604 1.508 1.00 0.00 C ATOM 1420 O ALA A 110 4.533 4.441 2.331 1.00 0.00 O ATOM 1421 CB ALA A 110 5.205 1.308 1.183 1.00 0.00 C ATOM 0 H ALA A 110 6.701 3.823 1.633 1.00 0.00 H new ATOM 0 HA ALA A 110 4.813 2.808 -0.334 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.204 0.880 1.138 1.00 0.00 H new ATOM 0 HB2 ALA A 110 5.875 0.732 0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 110 5.567 1.277 2.211 1.00 0.00 H new ATOM 1427 N THR A 111 2.855 3.382 1.262 1.00 0.00 N ATOM 1428 CA THR A 111 1.738 4.074 1.936 1.00 0.00 C ATOM 1429 C THR A 111 0.474 3.210 2.030 1.00 0.00 C ATOM 1430 O THR A 111 0.291 2.248 1.269 1.00 0.00 O ATOM 1431 CB THR A 111 1.444 5.418 1.246 1.00 0.00 C ATOM 1432 OG1 THR A 111 0.507 6.160 2.001 1.00 0.00 O ATOM 1433 CG2 THR A 111 0.941 5.316 -0.197 1.00 0.00 C ATOM 0 H THR A 111 2.540 2.700 0.572 1.00 0.00 H new ATOM 0 HA THR A 111 2.053 4.267 2.962 1.00 0.00 H new ATOM 0 HB THR A 111 2.411 5.919 1.197 1.00 0.00 H new ATOM 0 HG1 THR A 111 -0.022 6.726 1.401 1.00 0.00 H new ATOM 0 HG21 THR A 111 0.764 6.316 -0.592 1.00 0.00 H new ATOM 0 HG22 THR A 111 1.689 4.812 -0.808 1.00 0.00 H new ATOM 0 HG23 THR A 111 0.011 4.747 -0.219 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 48L A 200 -0.393 12.434 -11.260 1.00 0.00 N HETATM 1443 CG1 48L A 200 2.872 13.415 -10.853 1.00 0.00 C HETATM 1444 CG2 48L A 200 1.337 11.191 -9.919 1.00 0.00 C HETATM 1445 CG3 48L A 200 -0.854 13.475 -13.384 1.00 0.00 C HETATM 1446 CD1 48L A 200 3.240 13.123 -12.171 1.00 0.00 C HETATM 1447 CD2 48L A 200 3.841 13.362 -9.849 1.00 0.00 C HETATM 1448 CD3 48L A 200 1.734 10.419 -11.017 1.00 0.00 C HETATM 1449 CD4 48L A 200 1.669 10.755 -8.632 1.00 0.00 C HETATM 1450 CD5 48L A 200 -1.926 12.605 -13.637 1.00 0.00 C HETATM 1451 CD6 48L A 200 -0.397 14.284 -14.439 1.00 0.00 C HETATM 1452 CE1 48L A 200 4.551 12.748 -12.468 1.00 0.00 C HETATM 1453 CE2 48L A 200 5.147 12.978 -10.141 1.00 0.00 C HETATM 1454 CE3 48L A 200 2.367 9.562 -8.441 1.00 0.00 C HETATM 1455 CE4 48L A 200 2.449 9.240 -10.823 1.00 0.00 C HETATM 1456 CE5 48L A 200 -2.582 12.608 -14.864 1.00 0.00 C HETATM 1457 CE6 48L A 200 -1.065 14.278 -15.669 1.00 0.00 C HETATM 1458 CZ1 48L A 200 5.498 12.663 -11.450 1.00 0.00 C HETATM 1459 CZ2 48L A 200 2.761 8.800 -9.540 1.00 0.00 C HETATM 1460 CZ3 48L A 200 -2.173 13.465 -15.872 1.00 0.00 C HETATM 1461 CL 48L A 200 7.113 12.159 -11.802 1.00 0.00 CL HETATM 1462 CM1 48L A 200 -3.059 14.644 -17.854 1.00 0.00 C HETATM 1463 CM2 48L A 200 3.000 15.681 -14.954 1.00 0.00 C HETATM 1464 CM3 48L A 200 0.929 16.999 -15.624 1.00 0.00 C HETATM 1465 C1 48L A 200 -1.341 18.695 -12.902 1.00 0.00 C HETATM 1466 N1 48L A 200 -2.413 17.979 -13.277 1.00 0.00 N HETATM 1467 O1 48L A 200 -1.299 19.871 -13.209 1.00 0.00 O HETATM 1468 C2 48L A 200 -2.660 16.583 -12.891 1.00 0.00 C HETATM 1469 N2 48L A 200 -0.369 16.525 -11.903 1.00 0.00 N HETATM 1470 C3 48L A 200 -1.785 16.144 -11.702 1.00 0.00 C HETATM 1471 N3 48L A 200 0.655 14.430 -11.506 1.00 0.00 N HETATM 1472 O3 48L A 200 -2.852 13.441 -17.072 1.00 0.00 O HETATM 1473 C4 48L A 200 -0.232 17.995 -12.115 1.00 0.00 C HETATM 1474 C5 48L A 200 0.725 15.781 -11.565 1.00 0.00 C HETATM 1475 O5 48L A 200 1.758 16.351 -11.261 1.00 0.00 O HETATM 1476 C6 48L A 200 -0.255 13.460 -12.010 1.00 0.00 C HETATM 1477 O6 48L A 200 0.798 14.966 -14.301 1.00 0.00 O HETATM 1478 C7 48L A 200 0.561 12.495 -10.124 1.00 0.00 C HETATM 1479 C8 48L A 200 1.429 13.743 -10.462 1.00 0.00 C HETATM 1480 C9 48L A 200 1.524 15.599 -15.378 1.00 0.00 C HETATM 1481 BR 48L A 200 3.002 8.228 -12.327 1.00 0.00 BR HETATM 1482 F 48L A 200 1.324 11.480 -7.552 1.00 0.00 F