USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 666 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 53 MET CE :methyl -138:sc= -0.0671 (180deg=-0.484) USER MOD Set 1.2: A 99 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 72 HIS : no HD1:sc= 1.27 K(o=1.3,f=-5.4!) USER MOD Set 2.2: A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 73 MET CE :methyl 160:sc= -0.137 (180deg=-0.933) USER MOD Set 3.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 68 GLN : amide:sc= 0.815 K(o=0.64,f=-0.12) USER MOD Set 4.2: A 69 GLN : amide:sc= -0.171 X(o=0.64,f=0.74) USER MOD Set 5.1: A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 66 TYR OH : rot 100:sc= 0 USER MOD Set 6.1: A 59 TYR OH : rot 79:sc= 0.147 USER MOD Set 6.2: A 63 LYS NZ :NH3+ 180:sc= 1.24 (180deg=1.24) USER MOD Single : A 26 GLN : amide:sc= -0.341 X(o=-0.34,f=-0.34) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0.517 K(o=0.52,f=-2.3!) USER MOD Single : A 43 GLN : amide:sc= -0.0561 X(o=-0.056,f=-0.43) USER MOD Single : A 46 MET CE :methyl -175:sc= 0 (180deg=-0.0357) USER MOD Single : A 48 THR OG1 : rot -170:sc= 0.027 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc=-0.00127 X(o=-0.0013,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 1.07 K(o=1.1,f=-0.57) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 71 GLN : amide:sc= 1.25 K(o=1.3,f=-0.05) USER MOD Single : A 76 CYS SG : rot -90:sc= -0.0629 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 41:sc= 0.326 USER MOD Single : A 96 SER OG : rot 180:sc=2.49e-06 USER MOD Single : A 101 MET CE :methyl -175:sc= -0.326 (180deg=-0.328) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.117 K(o=-0.12,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 51 N GLN A 26 9.670 8.349 8.300 1.00 0.00 N ATOM 52 CA GLN A 26 10.022 7.898 6.946 1.00 0.00 C ATOM 53 C GLN A 26 11.481 8.254 6.576 1.00 0.00 C ATOM 54 O GLN A 26 12.219 8.799 7.397 1.00 0.00 O ATOM 55 CB GLN A 26 8.975 8.371 5.932 1.00 0.00 C ATOM 56 CG GLN A 26 8.690 7.246 4.923 1.00 0.00 C ATOM 57 CD GLN A 26 8.013 6.022 5.552 1.00 0.00 C ATOM 58 OE1 GLN A 26 6.919 6.079 6.096 1.00 0.00 O ATOM 59 NE2 GLN A 26 8.650 4.871 5.510 1.00 0.00 N ATOM 0 HA GLN A 26 9.996 6.809 6.920 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.057 8.653 6.447 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.334 9.259 5.411 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.055 7.634 4.127 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.627 6.936 4.461 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.563 4.810 5.059 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.231 4.040 5.928 1.00 0.00 H new ATOM 68 N VAL A 27 11.916 7.908 5.360 1.00 0.00 N ATOM 69 CA VAL A 27 13.325 7.945 4.918 1.00 0.00 C ATOM 70 C VAL A 27 13.705 9.106 4.000 1.00 0.00 C ATOM 71 O VAL A 27 12.848 9.730 3.374 1.00 0.00 O ATOM 72 CB VAL A 27 13.732 6.603 4.265 1.00 0.00 C ATOM 73 CG1 VAL A 27 13.482 5.409 5.194 1.00 0.00 C ATOM 74 CG2 VAL A 27 13.020 6.344 2.930 1.00 0.00 C ATOM 0 H VAL A 27 11.282 7.584 4.629 1.00 0.00 H new ATOM 0 HA VAL A 27 13.886 8.114 5.837 1.00 0.00 H new ATOM 0 HB VAL A 27 14.801 6.699 4.075 1.00 0.00 H new ATOM 0 HG11 VAL A 27 13.783 4.489 4.693 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.063 5.531 6.108 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.422 5.357 5.443 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.348 5.388 2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.942 6.320 3.091 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.264 7.141 2.227 1.00 0.00 H new ATOM 84 N ARG A 28 15.016 9.361 3.891 1.00 0.00 N ATOM 85 CA ARG A 28 15.608 10.323 2.957 1.00 0.00 C ATOM 86 C ARG A 28 16.150 9.665 1.673 1.00 0.00 C ATOM 87 O ARG A 28 16.803 8.622 1.767 1.00 0.00 O ATOM 88 CB ARG A 28 16.671 11.167 3.689 1.00 0.00 C ATOM 89 CG ARG A 28 17.946 10.427 4.130 1.00 0.00 C ATOM 90 CD ARG A 28 18.891 11.385 4.865 1.00 0.00 C ATOM 91 NE ARG A 28 20.125 10.698 5.299 1.00 0.00 N ATOM 92 CZ ARG A 28 21.165 11.249 5.902 1.00 0.00 C ATOM 93 NH1 ARG A 28 21.212 12.522 6.185 1.00 0.00 N ATOM 94 NH2 ARG A 28 22.194 10.523 6.237 1.00 0.00 N ATOM 0 H ARG A 28 15.712 8.889 4.468 1.00 0.00 H new ATOM 0 HA ARG A 28 14.817 10.988 2.611 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.962 11.991 3.037 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.209 11.608 4.572 1.00 0.00 H new ATOM 0 HG2 ARG A 28 17.684 9.593 4.781 1.00 0.00 H new ATOM 0 HG3 ARG A 28 18.449 10.006 3.260 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.148 12.218 4.211 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.383 11.806 5.733 1.00 0.00 H new ATOM 0 HE ARG A 28 20.180 9.696 5.115 1.00 0.00 H new ATOM 0 HH11 ARG A 28 20.429 13.128 5.940 1.00 0.00 H new ATOM 0 HH12 ARG A 28 22.032 12.911 6.651 1.00 0.00 H new ATOM 0 HH21 ARG A 28 22.201 9.523 6.034 1.00 0.00 H new ATOM 0 HH22 ARG A 28 22.993 10.954 6.702 1.00 0.00 H new ATOM 108 N PRO A 29 15.911 10.247 0.481 1.00 0.00 N ATOM 109 CA PRO A 29 16.575 9.837 -0.756 1.00 0.00 C ATOM 110 C PRO A 29 18.038 10.326 -0.766 1.00 0.00 C ATOM 111 O PRO A 29 18.426 11.189 0.028 1.00 0.00 O ATOM 112 CB PRO A 29 15.734 10.449 -1.881 1.00 0.00 C ATOM 113 CG PRO A 29 15.141 11.708 -1.254 1.00 0.00 C ATOM 114 CD PRO A 29 15.001 11.354 0.226 1.00 0.00 C ATOM 0 HA PRO A 29 16.634 8.755 -0.870 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.345 10.686 -2.752 1.00 0.00 H new ATOM 0 HB3 PRO A 29 14.955 9.764 -2.215 1.00 0.00 H new ATOM 0 HG2 PRO A 29 15.792 12.570 -1.398 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.177 11.959 -1.697 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.248 12.210 0.853 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.974 11.073 0.461 1.00 0.00 H new ATOM 122 N LYS A 30 18.861 9.792 -1.676 1.00 0.00 N ATOM 123 CA LYS A 30 20.272 10.198 -1.845 1.00 0.00 C ATOM 124 C LYS A 30 20.358 11.598 -2.469 1.00 0.00 C ATOM 125 O LYS A 30 19.467 12.027 -3.194 1.00 0.00 O ATOM 126 CB LYS A 30 21.043 9.117 -2.640 1.00 0.00 C ATOM 127 CG LYS A 30 22.342 8.593 -1.999 1.00 0.00 C ATOM 128 CD LYS A 30 23.510 9.594 -1.989 1.00 0.00 C ATOM 129 CE LYS A 30 24.870 8.919 -1.741 1.00 0.00 C ATOM 130 NZ LYS A 30 24.993 8.336 -0.373 1.00 0.00 N ATOM 0 H LYS A 30 18.570 9.060 -2.324 1.00 0.00 H new ATOM 0 HA LYS A 30 20.756 10.272 -0.871 1.00 0.00 H new ATOM 0 HB2 LYS A 30 20.376 8.270 -2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 30 21.286 9.523 -3.622 1.00 0.00 H new ATOM 0 HG2 LYS A 30 22.129 8.296 -0.972 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.656 7.696 -2.532 1.00 0.00 H new ATOM 0 HD2 LYS A 30 23.539 10.121 -2.943 1.00 0.00 H new ATOM 0 HD3 LYS A 30 23.335 10.343 -1.216 1.00 0.00 H new ATOM 0 HE2 LYS A 30 25.018 8.131 -2.480 1.00 0.00 H new ATOM 0 HE3 LYS A 30 25.664 9.650 -1.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 25.929 7.896 -0.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 24.881 9.088 0.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 24.255 7.617 -0.234 1.00 0.00 H new ATOM 144 N LEU A 31 21.464 12.289 -2.220 1.00 0.00 N ATOM 145 CA LEU A 31 21.714 13.713 -2.512 1.00 0.00 C ATOM 146 C LEU A 31 21.370 14.160 -3.950 1.00 0.00 C ATOM 147 O LEU A 31 20.580 15.095 -4.078 1.00 0.00 O ATOM 148 CB LEU A 31 23.163 14.029 -2.073 1.00 0.00 C ATOM 149 CG LEU A 31 23.651 15.492 -2.107 1.00 0.00 C ATOM 150 CD1 LEU A 31 24.012 15.990 -3.508 1.00 0.00 C ATOM 151 CD2 LEU A 31 22.661 16.468 -1.469 1.00 0.00 C ATOM 0 H LEU A 31 22.271 11.848 -1.779 1.00 0.00 H new ATOM 0 HA LEU A 31 21.015 14.319 -1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.285 13.665 -1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.833 13.444 -2.703 1.00 0.00 H new ATOM 0 HG LEU A 31 24.563 15.473 -1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 31 24.346 17.026 -3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 31 24.811 15.373 -3.919 1.00 0.00 H new ATOM 0 HD13 LEU A 31 23.136 15.926 -4.154 1.00 0.00 H new ATOM 0 HD21 LEU A 31 23.061 17.480 -1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 31 21.711 16.424 -2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 31 22.504 16.196 -0.425 1.00 0.00 H new ATOM 163 N PRO A 32 21.858 13.512 -5.033 1.00 0.00 N ATOM 164 CA PRO A 32 21.494 13.888 -6.409 1.00 0.00 C ATOM 165 C PRO A 32 20.007 13.772 -6.724 1.00 0.00 C ATOM 166 O PRO A 32 19.509 14.463 -7.613 1.00 0.00 O ATOM 167 CB PRO A 32 22.315 12.978 -7.327 1.00 0.00 C ATOM 168 CG PRO A 32 22.697 11.794 -6.441 1.00 0.00 C ATOM 169 CD PRO A 32 22.842 12.437 -5.068 1.00 0.00 C ATOM 0 HA PRO A 32 21.713 14.946 -6.556 1.00 0.00 H new ATOM 0 HB2 PRO A 32 21.734 12.657 -8.192 1.00 0.00 H new ATOM 0 HB3 PRO A 32 23.198 13.490 -7.709 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.930 11.020 -6.447 1.00 0.00 H new ATOM 0 HG3 PRO A 32 23.625 11.326 -6.769 1.00 0.00 H new ATOM 0 HD2 PRO A 32 22.659 11.712 -4.274 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.850 12.824 -4.921 1.00 0.00 H new ATOM 177 N LEU A 33 19.294 12.931 -5.977 1.00 0.00 N ATOM 178 CA LEU A 33 17.853 12.799 -6.087 1.00 0.00 C ATOM 179 C LEU A 33 17.146 13.848 -5.215 1.00 0.00 C ATOM 180 O LEU A 33 16.344 14.623 -5.725 1.00 0.00 O ATOM 181 CB LEU A 33 17.497 11.329 -5.802 1.00 0.00 C ATOM 182 CG LEU A 33 16.313 10.893 -6.659 1.00 0.00 C ATOM 183 CD1 LEU A 33 16.099 9.389 -6.681 1.00 0.00 C ATOM 184 CD2 LEU A 33 14.987 11.510 -6.204 1.00 0.00 C ATOM 0 H LEU A 33 19.709 12.319 -5.274 1.00 0.00 H new ATOM 0 HA LEU A 33 17.488 13.019 -7.090 1.00 0.00 H new ATOM 0 HB2 LEU A 33 18.358 10.693 -6.009 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.255 11.205 -4.746 1.00 0.00 H new ATOM 0 HG LEU A 33 16.584 11.248 -7.653 1.00 0.00 H new ATOM 0 HD11 LEU A 33 15.241 9.153 -7.310 1.00 0.00 H new ATOM 0 HD12 LEU A 33 16.987 8.901 -7.082 1.00 0.00 H new ATOM 0 HD13 LEU A 33 15.915 9.033 -5.667 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.183 11.162 -6.852 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.780 11.211 -5.176 1.00 0.00 H new ATOM 0 HD23 LEU A 33 15.053 12.597 -6.259 1.00 0.00 H new ATOM 196 N LEU A 34 17.522 13.972 -3.938 1.00 0.00 N ATOM 197 CA LEU A 34 17.005 14.982 -3.002 1.00 0.00 C ATOM 198 C LEU A 34 17.115 16.417 -3.549 1.00 0.00 C ATOM 199 O LEU A 34 16.213 17.222 -3.325 1.00 0.00 O ATOM 200 CB LEU A 34 17.784 14.837 -1.678 1.00 0.00 C ATOM 201 CG LEU A 34 17.331 15.760 -0.528 1.00 0.00 C ATOM 202 CD1 LEU A 34 15.875 15.521 -0.119 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.211 15.503 0.694 1.00 0.00 C ATOM 0 H LEU A 34 18.214 13.356 -3.512 1.00 0.00 H new ATOM 0 HA LEU A 34 15.940 14.808 -2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.703 13.803 -1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.839 15.026 -1.876 1.00 0.00 H new ATOM 0 HG LEU A 34 17.421 16.786 -0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.610 16.197 0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.222 15.706 -0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.755 14.490 0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.897 16.152 1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.114 14.461 1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.251 15.712 0.444 1.00 0.00 H new ATOM 215 N LYS A 35 18.156 16.735 -4.331 1.00 0.00 N ATOM 216 CA LYS A 35 18.315 18.050 -4.964 1.00 0.00 C ATOM 217 C LYS A 35 17.167 18.426 -5.910 1.00 0.00 C ATOM 218 O LYS A 35 16.784 19.588 -5.950 1.00 0.00 O ATOM 219 CB LYS A 35 19.680 18.097 -5.678 1.00 0.00 C ATOM 220 CG LYS A 35 20.279 19.509 -5.641 1.00 0.00 C ATOM 221 CD LYS A 35 20.871 19.812 -4.250 1.00 0.00 C ATOM 222 CE LYS A 35 22.337 19.372 -4.094 1.00 0.00 C ATOM 223 NZ LYS A 35 23.285 20.279 -4.806 1.00 0.00 N ATOM 0 H LYS A 35 18.913 16.085 -4.542 1.00 0.00 H new ATOM 0 HA LYS A 35 18.280 18.803 -4.177 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.366 17.396 -5.203 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.563 17.776 -6.713 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.056 19.600 -6.400 1.00 0.00 H new ATOM 0 HG3 LYS A 35 19.510 20.243 -5.882 1.00 0.00 H new ATOM 0 HD2 LYS A 35 20.800 20.883 -4.060 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.268 19.313 -3.491 1.00 0.00 H new ATOM 0 HE2 LYS A 35 22.593 19.343 -3.035 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.452 18.358 -4.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 24.259 19.939 -4.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.060 20.288 -5.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.198 21.242 -4.423 1.00 0.00 H new ATOM 237 N ILE A 36 16.557 17.459 -6.601 1.00 0.00 N ATOM 238 CA ILE A 36 15.358 17.654 -7.444 1.00 0.00 C ATOM 239 C ILE A 36 14.158 18.053 -6.566 1.00 0.00 C ATOM 240 O ILE A 36 13.460 19.020 -6.860 1.00 0.00 O ATOM 241 CB ILE A 36 15.078 16.361 -8.238 1.00 0.00 C ATOM 242 CG1 ILE A 36 16.254 16.106 -9.205 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.753 16.439 -9.016 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.363 14.660 -9.671 1.00 0.00 C ATOM 0 H ILE A 36 16.885 16.493 -6.594 1.00 0.00 H new ATOM 0 HA ILE A 36 15.529 18.462 -8.155 1.00 0.00 H new ATOM 0 HB ILE A 36 14.984 15.535 -7.533 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.143 16.751 -10.076 1.00 0.00 H new ATOM 0 HG13 ILE A 36 17.184 16.391 -8.714 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.595 15.508 -9.561 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.930 16.595 -8.318 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.793 17.269 -9.721 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.212 14.559 -10.347 1.00 0.00 H new ATOM 0 HD12 ILE A 36 16.507 14.010 -8.808 1.00 0.00 H new ATOM 0 HD13 ILE A 36 15.449 14.376 -10.192 1.00 0.00 H new ATOM 256 N LEU A 37 13.953 17.352 -5.443 1.00 0.00 N ATOM 257 CA LEU A 37 12.864 17.610 -4.489 1.00 0.00 C ATOM 258 C LEU A 37 13.026 18.998 -3.847 1.00 0.00 C ATOM 259 O LEU A 37 12.066 19.752 -3.708 1.00 0.00 O ATOM 260 CB LEU A 37 12.864 16.512 -3.400 1.00 0.00 C ATOM 261 CG LEU A 37 12.348 15.112 -3.780 1.00 0.00 C ATOM 262 CD1 LEU A 37 13.031 14.437 -4.966 1.00 0.00 C ATOM 263 CD2 LEU A 37 12.538 14.199 -2.573 1.00 0.00 C ATOM 0 H LEU A 37 14.551 16.574 -5.166 1.00 0.00 H new ATOM 0 HA LEU A 37 11.913 17.591 -5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.886 16.403 -3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.265 16.872 -2.564 1.00 0.00 H new ATOM 0 HG LEU A 37 11.311 15.263 -4.078 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.582 13.459 -5.136 1.00 0.00 H new ATOM 0 HD12 LEU A 37 12.907 15.053 -5.856 1.00 0.00 H new ATOM 0 HD13 LEU A 37 14.093 14.316 -4.754 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.180 13.198 -2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.596 14.154 -2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.974 14.592 -1.727 1.00 0.00 H new ATOM 275 N HIS A 38 14.259 19.373 -3.502 1.00 0.00 N ATOM 276 CA HIS A 38 14.590 20.685 -2.934 1.00 0.00 C ATOM 277 C HIS A 38 14.475 21.807 -3.970 1.00 0.00 C ATOM 278 O HIS A 38 13.889 22.842 -3.657 1.00 0.00 O ATOM 279 CB HIS A 38 15.976 20.602 -2.274 1.00 0.00 C ATOM 280 CG HIS A 38 15.966 19.939 -0.909 1.00 0.00 C ATOM 281 ND1 HIS A 38 17.003 19.994 0.028 1.00 0.00 N ATOM 282 CD2 HIS A 38 14.910 19.278 -0.346 1.00 0.00 C ATOM 283 CE1 HIS A 38 16.542 19.372 1.130 1.00 0.00 C ATOM 284 NE2 HIS A 38 15.284 18.939 0.934 1.00 0.00 N ATOM 0 H HIS A 38 15.071 18.765 -3.610 1.00 0.00 H new ATOM 0 HA HIS A 38 13.862 20.946 -2.166 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.648 20.050 -2.931 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.382 21.609 -2.176 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.962 19.063 -0.817 1.00 0.00 H new ATOM 0 HE1 HIS A 38 17.104 19.240 2.043 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.708 18.445 1.615 1.00 0.00 H new ATOM 292 N ALA A 39 14.879 21.573 -5.224 1.00 0.00 N ATOM 293 CA ALA A 39 14.668 22.495 -6.343 1.00 0.00 C ATOM 294 C ALA A 39 13.176 22.759 -6.600 1.00 0.00 C ATOM 295 O ALA A 39 12.806 23.839 -7.068 1.00 0.00 O ATOM 296 CB ALA A 39 15.369 21.941 -7.588 1.00 0.00 C ATOM 0 H ALA A 39 15.371 20.721 -5.493 1.00 0.00 H new ATOM 0 HA ALA A 39 15.104 23.461 -6.088 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.216 22.622 -8.425 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.436 21.842 -7.391 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.954 20.964 -7.835 1.00 0.00 H new ATOM 302 N ALA A 40 12.315 21.804 -6.231 1.00 0.00 N ATOM 303 CA ALA A 40 10.874 21.988 -6.226 1.00 0.00 C ATOM 304 C ALA A 40 10.338 22.736 -4.988 1.00 0.00 C ATOM 305 O ALA A 40 9.266 23.335 -5.075 1.00 0.00 O ATOM 306 CB ALA A 40 10.211 20.615 -6.340 1.00 0.00 C ATOM 0 H ALA A 40 12.610 20.876 -5.926 1.00 0.00 H new ATOM 0 HA ALA A 40 10.626 22.622 -7.077 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.127 20.733 -6.338 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.522 20.137 -7.269 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.510 19.995 -5.495 1.00 0.00 H new ATOM 312 N GLY A 41 11.038 22.690 -3.845 1.00 0.00 N ATOM 313 CA GLY A 41 10.575 23.227 -2.558 1.00 0.00 C ATOM 314 C GLY A 41 9.878 22.185 -1.670 1.00 0.00 C ATOM 315 O GLY A 41 8.732 22.390 -1.262 1.00 0.00 O ATOM 0 H GLY A 41 11.965 22.268 -3.789 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.428 23.639 -2.018 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.887 24.051 -2.745 1.00 0.00 H new ATOM 319 N ALA A 42 10.547 21.060 -1.383 1.00 0.00 N ATOM 320 CA ALA A 42 10.066 20.039 -0.441 1.00 0.00 C ATOM 321 C ALA A 42 9.967 20.539 1.016 1.00 0.00 C ATOM 322 O ALA A 42 10.613 21.515 1.408 1.00 0.00 O ATOM 323 CB ALA A 42 10.949 18.792 -0.542 1.00 0.00 C ATOM 0 H ALA A 42 11.448 20.830 -1.803 1.00 0.00 H new ATOM 0 HA ALA A 42 9.045 19.791 -0.729 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.592 18.036 0.157 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.906 18.397 -1.557 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.978 19.054 -0.298 1.00 0.00 H new ATOM 329 N GLN A 43 9.183 19.826 1.835 1.00 0.00 N ATOM 330 CA GLN A 43 8.840 20.204 3.217 1.00 0.00 C ATOM 331 C GLN A 43 9.721 19.503 4.277 1.00 0.00 C ATOM 332 O GLN A 43 9.297 19.267 5.411 1.00 0.00 O ATOM 333 CB GLN A 43 7.321 20.014 3.414 1.00 0.00 C ATOM 334 CG GLN A 43 6.701 20.887 4.523 1.00 0.00 C ATOM 335 CD GLN A 43 6.695 22.394 4.241 1.00 0.00 C ATOM 336 OE1 GLN A 43 7.009 22.881 3.161 1.00 0.00 O ATOM 337 NE2 GLN A 43 6.325 23.205 5.212 1.00 0.00 N ATOM 0 H GLN A 43 8.756 18.945 1.549 1.00 0.00 H new ATOM 0 HA GLN A 43 9.070 21.258 3.375 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.816 20.233 2.473 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.126 18.966 3.644 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.674 20.561 4.689 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.246 20.709 5.450 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.059 22.825 6.120 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.305 24.213 5.055 1.00 0.00 H new ATOM 346 N GLY A 44 10.951 19.138 3.902 1.00 0.00 N ATOM 347 CA GLY A 44 11.892 18.396 4.749 1.00 0.00 C ATOM 348 C GLY A 44 12.942 17.604 3.967 1.00 0.00 C ATOM 349 O GLY A 44 13.285 17.931 2.830 1.00 0.00 O ATOM 0 H GLY A 44 11.329 19.355 2.980 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.400 19.097 5.411 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.331 17.709 5.382 1.00 0.00 H new ATOM 353 N GLU A 45 13.440 16.543 4.601 1.00 0.00 N ATOM 354 CA GLU A 45 14.373 15.558 4.025 1.00 0.00 C ATOM 355 C GLU A 45 13.878 14.102 4.159 1.00 0.00 C ATOM 356 O GLU A 45 14.421 13.222 3.501 1.00 0.00 O ATOM 357 CB GLU A 45 15.754 15.710 4.688 1.00 0.00 C ATOM 358 CG GLU A 45 16.424 17.058 4.391 1.00 0.00 C ATOM 359 CD GLU A 45 17.788 17.157 5.101 1.00 0.00 C ATOM 360 OE1 GLU A 45 18.812 16.698 4.538 1.00 0.00 O ATOM 361 OE2 GLU A 45 17.852 17.702 6.231 1.00 0.00 O ATOM 0 H GLU A 45 13.199 16.332 5.569 1.00 0.00 H new ATOM 0 HA GLU A 45 14.440 15.765 2.957 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.646 15.595 5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.405 14.905 4.345 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.559 17.173 3.316 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.777 17.871 4.720 1.00 0.00 H new ATOM 368 N MET A 46 12.859 13.837 4.987 1.00 0.00 N ATOM 369 CA MET A 46 12.290 12.505 5.272 1.00 0.00 C ATOM 370 C MET A 46 10.852 12.425 4.741 1.00 0.00 C ATOM 371 O MET A 46 9.997 13.193 5.184 1.00 0.00 O ATOM 372 CB MET A 46 12.301 12.264 6.790 1.00 0.00 C ATOM 373 CG MET A 46 13.715 11.973 7.301 1.00 0.00 C ATOM 374 SD MET A 46 13.858 11.746 9.098 1.00 0.00 S ATOM 375 CE MET A 46 13.601 13.448 9.676 1.00 0.00 C ATOM 0 H MET A 46 12.384 14.578 5.503 1.00 0.00 H new ATOM 0 HA MET A 46 12.890 11.741 4.778 1.00 0.00 H new ATOM 0 HB2 MET A 46 11.901 13.139 7.301 1.00 0.00 H new ATOM 0 HB3 MET A 46 11.646 11.427 7.031 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.085 11.074 6.807 1.00 0.00 H new ATOM 0 HG3 MET A 46 14.368 12.793 7.002 1.00 0.00 H new ATOM 0 HE1 MET A 46 13.747 13.492 10.755 1.00 0.00 H new ATOM 0 HE2 MET A 46 14.315 14.110 9.186 1.00 0.00 H new ATOM 0 HE3 MET A 46 12.587 13.765 9.434 1.00 0.00 H new ATOM 385 N PHE A 47 10.573 11.506 3.809 1.00 0.00 N ATOM 386 CA PHE A 47 9.243 11.336 3.186 1.00 0.00 C ATOM 387 C PHE A 47 8.998 9.917 2.628 1.00 0.00 C ATOM 388 O PHE A 47 9.919 9.121 2.448 1.00 0.00 O ATOM 389 CB PHE A 47 9.001 12.389 2.076 1.00 0.00 C ATOM 390 CG PHE A 47 10.105 13.397 1.821 1.00 0.00 C ATOM 391 CD1 PHE A 47 11.362 12.948 1.380 1.00 0.00 C ATOM 392 CD2 PHE A 47 9.889 14.771 2.036 1.00 0.00 C ATOM 393 CE1 PHE A 47 12.386 13.869 1.134 1.00 0.00 C ATOM 394 CE2 PHE A 47 10.903 15.698 1.742 1.00 0.00 C ATOM 395 CZ PHE A 47 12.152 15.247 1.279 1.00 0.00 C ATOM 0 H PHE A 47 11.269 10.848 3.458 1.00 0.00 H new ATOM 0 HA PHE A 47 8.525 11.488 3.992 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.807 11.858 1.144 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.093 12.939 2.325 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.537 11.893 1.231 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.942 15.113 2.428 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.362 13.519 0.831 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.724 16.755 1.871 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.928 15.957 1.036 1.00 0.00 H new ATOM 405 N THR A 48 7.731 9.601 2.344 1.00 0.00 N ATOM 406 CA THR A 48 7.260 8.377 1.653 1.00 0.00 C ATOM 407 C THR A 48 7.417 8.480 0.137 1.00 0.00 C ATOM 408 O THR A 48 7.551 9.577 -0.392 1.00 0.00 O ATOM 409 CB THR A 48 5.778 8.140 1.995 1.00 0.00 C ATOM 410 OG1 THR A 48 5.099 9.366 1.856 1.00 0.00 O ATOM 411 CG2 THR A 48 5.571 7.648 3.422 1.00 0.00 C ATOM 0 H THR A 48 6.960 10.218 2.599 1.00 0.00 H new ATOM 0 HA THR A 48 7.872 7.543 1.996 1.00 0.00 H new ATOM 0 HB THR A 48 5.400 7.372 1.321 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.192 9.281 2.218 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.507 7.499 3.605 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.099 6.705 3.562 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.959 8.388 4.122 1.00 0.00 H new ATOM 419 N VAL A 49 7.315 7.353 -0.584 1.00 0.00 N ATOM 420 CA VAL A 49 7.342 7.239 -2.061 1.00 0.00 C ATOM 421 C VAL A 49 6.343 8.227 -2.682 1.00 0.00 C ATOM 422 O VAL A 49 6.665 8.980 -3.606 1.00 0.00 O ATOM 423 CB VAL A 49 7.036 5.790 -2.506 1.00 0.00 C ATOM 424 CG1 VAL A 49 6.944 5.644 -4.032 1.00 0.00 C ATOM 425 CG2 VAL A 49 8.143 4.839 -2.029 1.00 0.00 C ATOM 0 H VAL A 49 7.205 6.444 -0.134 1.00 0.00 H new ATOM 0 HA VAL A 49 8.343 7.490 -2.413 1.00 0.00 H new ATOM 0 HB VAL A 49 6.072 5.540 -2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.728 4.606 -4.286 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.147 6.284 -4.411 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.892 5.938 -4.483 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.913 3.823 -2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.097 5.148 -2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.206 4.870 -0.941 1.00 0.00 H new ATOM 435 N LYS A 50 5.141 8.278 -2.093 1.00 0.00 N ATOM 436 CA LYS A 50 4.028 9.101 -2.544 1.00 0.00 C ATOM 437 C LYS A 50 4.250 10.603 -2.316 1.00 0.00 C ATOM 438 O LYS A 50 3.818 11.413 -3.133 1.00 0.00 O ATOM 439 CB LYS A 50 2.764 8.526 -1.890 1.00 0.00 C ATOM 440 CG LYS A 50 2.560 8.882 -0.410 1.00 0.00 C ATOM 441 CD LYS A 50 1.294 8.219 0.149 1.00 0.00 C ATOM 442 CE LYS A 50 1.128 8.562 1.636 1.00 0.00 C ATOM 443 NZ LYS A 50 -0.113 7.965 2.202 1.00 0.00 N ATOM 0 H LYS A 50 4.917 7.728 -1.264 1.00 0.00 H new ATOM 0 HA LYS A 50 3.923 9.054 -3.628 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.897 8.873 -2.451 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.790 7.440 -1.983 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.427 8.561 0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.486 9.964 -0.300 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.421 8.557 -0.409 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.355 7.138 0.022 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.993 8.200 2.192 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.100 9.645 1.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.192 8.217 3.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.940 8.330 1.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.075 6.930 2.107 1.00 0.00 H new ATOM 457 N GLU A 51 4.990 10.973 -1.267 1.00 0.00 N ATOM 458 CA GLU A 51 5.414 12.357 -1.021 1.00 0.00 C ATOM 459 C GLU A 51 6.636 12.742 -1.867 1.00 0.00 C ATOM 460 O GLU A 51 6.616 13.801 -2.492 1.00 0.00 O ATOM 461 CB GLU A 51 5.683 12.578 0.475 1.00 0.00 C ATOM 462 CG GLU A 51 4.419 12.523 1.344 1.00 0.00 C ATOM 463 CD GLU A 51 3.496 13.738 1.116 1.00 0.00 C ATOM 464 OE1 GLU A 51 2.598 13.674 0.241 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.643 14.761 1.830 1.00 0.00 O ATOM 0 H GLU A 51 5.315 10.316 -0.558 1.00 0.00 H new ATOM 0 HA GLU A 51 4.598 13.012 -1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.386 11.822 0.824 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.164 13.547 0.609 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.870 11.607 1.125 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.705 12.480 2.395 1.00 0.00 H new ATOM 472 N VAL A 52 7.665 11.886 -1.986 1.00 0.00 N ATOM 473 CA VAL A 52 8.840 12.177 -2.825 1.00 0.00 C ATOM 474 C VAL A 52 8.453 12.433 -4.277 1.00 0.00 C ATOM 475 O VAL A 52 8.879 13.421 -4.874 1.00 0.00 O ATOM 476 CB VAL A 52 9.951 11.116 -2.760 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.652 11.123 -1.401 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.616 9.681 -3.108 1.00 0.00 C ATOM 0 H VAL A 52 7.707 10.985 -1.510 1.00 0.00 H new ATOM 0 HA VAL A 52 9.256 13.087 -2.394 1.00 0.00 H new ATOM 0 HB VAL A 52 10.593 11.451 -3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.431 10.361 -1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.099 12.102 -1.227 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.926 10.911 -0.616 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.510 9.065 -3.011 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.846 9.312 -2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.250 9.631 -4.134 1.00 0.00 H new ATOM 488 N MET A 53 7.588 11.580 -4.824 1.00 0.00 N ATOM 489 CA MET A 53 7.057 11.779 -6.177 1.00 0.00 C ATOM 490 C MET A 53 6.098 12.978 -6.316 1.00 0.00 C ATOM 491 O MET A 53 6.016 13.548 -7.401 1.00 0.00 O ATOM 492 CB MET A 53 6.484 10.483 -6.764 1.00 0.00 C ATOM 493 CG MET A 53 5.057 10.160 -6.306 1.00 0.00 C ATOM 494 SD MET A 53 4.380 8.628 -7.001 1.00 0.00 S ATOM 495 CE MET A 53 4.365 9.056 -8.766 1.00 0.00 C ATOM 0 H MET A 53 7.239 10.745 -4.354 1.00 0.00 H new ATOM 0 HA MET A 53 7.917 12.054 -6.787 1.00 0.00 H new ATOM 0 HB2 MET A 53 6.497 10.554 -7.852 1.00 0.00 H new ATOM 0 HB3 MET A 53 7.137 9.654 -6.491 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.044 10.089 -5.218 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.404 10.989 -6.579 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.437 8.705 -9.218 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.437 10.138 -8.879 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.212 8.582 -9.263 1.00 0.00 H new ATOM 505 N HIS A 54 5.429 13.441 -5.251 1.00 0.00 N ATOM 506 CA HIS A 54 4.611 14.667 -5.312 1.00 0.00 C ATOM 507 C HIS A 54 5.472 15.900 -5.616 1.00 0.00 C ATOM 508 O HIS A 54 5.091 16.743 -6.432 1.00 0.00 O ATOM 509 CB HIS A 54 3.827 14.863 -4.008 1.00 0.00 C ATOM 510 CG HIS A 54 2.945 16.089 -4.035 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.691 16.177 -4.649 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.267 17.306 -3.507 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.286 17.448 -4.473 1.00 0.00 C ATOM 514 NE2 HIS A 54 2.212 18.146 -3.792 1.00 0.00 N ATOM 0 H HIS A 54 5.436 12.988 -4.337 1.00 0.00 H new ATOM 0 HA HIS A 54 3.899 14.549 -6.129 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.212 13.982 -3.823 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.527 14.943 -3.177 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.170 17.560 -2.972 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.349 17.851 -4.829 1.00 0.00 H new ATOM 0 HE2 HIS A 54 2.145 19.130 -3.531 1.00 0.00 H new ATOM 522 N TYR A 55 6.680 15.964 -5.045 1.00 0.00 N ATOM 523 CA TYR A 55 7.652 17.008 -5.380 1.00 0.00 C ATOM 524 C TYR A 55 8.142 16.923 -6.832 1.00 0.00 C ATOM 525 O TYR A 55 8.488 17.957 -7.389 1.00 0.00 O ATOM 526 CB TYR A 55 8.833 17.014 -4.404 1.00 0.00 C ATOM 527 CG TYR A 55 8.431 17.058 -2.944 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.636 18.110 -2.451 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.803 16.006 -2.092 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.155 18.075 -1.127 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.339 15.973 -0.767 1.00 0.00 C ATOM 532 CZ TYR A 55 7.504 17.000 -0.280 1.00 0.00 C ATOM 533 OH TYR A 55 7.056 16.957 1.006 1.00 0.00 O ATOM 0 H TYR A 55 7.008 15.300 -4.344 1.00 0.00 H new ATOM 0 HA TYR A 55 7.123 17.956 -5.280 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.437 16.123 -4.576 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.465 17.875 -4.621 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.394 18.947 -3.090 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.448 15.220 -2.457 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.521 18.869 -0.761 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.623 15.158 -0.118 1.00 0.00 H new ATOM 0 HH TYR A 55 7.392 16.147 1.443 1.00 0.00 H new ATOM 543 N LEU A 56 8.137 15.749 -7.481 1.00 0.00 N ATOM 544 CA LEU A 56 8.391 15.661 -8.929 1.00 0.00 C ATOM 545 C LEU A 56 7.261 16.325 -9.721 1.00 0.00 C ATOM 546 O LEU A 56 7.530 17.145 -10.593 1.00 0.00 O ATOM 547 CB LEU A 56 8.545 14.207 -9.403 1.00 0.00 C ATOM 548 CG LEU A 56 9.610 13.378 -8.683 1.00 0.00 C ATOM 549 CD1 LEU A 56 9.540 11.942 -9.194 1.00 0.00 C ATOM 550 CD2 LEU A 56 11.015 13.928 -8.906 1.00 0.00 C ATOM 0 H LEU A 56 7.961 14.851 -7.030 1.00 0.00 H new ATOM 0 HA LEU A 56 9.329 16.185 -9.112 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.584 13.705 -9.290 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.777 14.215 -10.468 1.00 0.00 H new ATOM 0 HG LEU A 56 9.409 13.421 -7.613 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.294 11.339 -8.689 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.551 11.531 -8.991 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.724 11.929 -10.268 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.737 13.307 -8.376 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.244 13.921 -9.972 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.070 14.950 -8.530 1.00 0.00 H new ATOM 562 N GLY A 57 6.003 16.037 -9.376 1.00 0.00 N ATOM 563 CA GLY A 57 4.845 16.683 -9.996 1.00 0.00 C ATOM 564 C GLY A 57 4.902 18.207 -9.869 1.00 0.00 C ATOM 565 O GLY A 57 4.826 18.921 -10.872 1.00 0.00 O ATOM 0 H GLY A 57 5.760 15.351 -8.661 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.798 16.409 -11.050 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.931 16.314 -9.530 1.00 0.00 H new ATOM 569 N GLN A 58 5.189 18.720 -8.665 1.00 0.00 N ATOM 570 CA GLN A 58 5.350 20.163 -8.464 1.00 0.00 C ATOM 571 C GLN A 58 6.619 20.718 -9.133 1.00 0.00 C ATOM 572 O GLN A 58 6.575 21.842 -9.624 1.00 0.00 O ATOM 573 CB GLN A 58 5.218 20.542 -6.976 1.00 0.00 C ATOM 574 CG GLN A 58 6.549 20.761 -6.235 1.00 0.00 C ATOM 575 CD GLN A 58 6.358 20.967 -4.726 1.00 0.00 C ATOM 576 OE1 GLN A 58 5.471 20.413 -4.091 1.00 0.00 O ATOM 577 NE2 GLN A 58 7.204 21.738 -4.081 1.00 0.00 N ATOM 0 H GLN A 58 5.313 18.160 -7.822 1.00 0.00 H new ATOM 0 HA GLN A 58 4.526 20.657 -8.979 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.625 21.453 -6.901 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.661 19.756 -6.465 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.199 19.902 -6.401 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.056 21.630 -6.655 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.952 22.211 -4.588 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.113 21.864 -3.073 1.00 0.00 H new ATOM 586 N TYR A 59 7.721 19.954 -9.210 1.00 0.00 N ATOM 587 CA TYR A 59 8.946 20.361 -9.905 1.00 0.00 C ATOM 588 C TYR A 59 8.639 20.592 -11.383 1.00 0.00 C ATOM 589 O TYR A 59 8.923 21.654 -11.918 1.00 0.00 O ATOM 590 CB TYR A 59 10.044 19.290 -9.772 1.00 0.00 C ATOM 591 CG TYR A 59 11.331 19.481 -10.564 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.384 19.071 -11.912 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.510 19.911 -9.922 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.619 18.963 -12.584 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.747 19.818 -10.593 1.00 0.00 C ATOM 596 CZ TYR A 59 13.809 19.306 -11.909 1.00 0.00 C ATOM 597 OH TYR A 59 15.013 19.139 -12.521 1.00 0.00 O ATOM 0 H TYR A 59 7.784 19.028 -8.786 1.00 0.00 H new ATOM 0 HA TYR A 59 9.308 21.282 -9.449 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.309 19.213 -8.718 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.613 18.332 -10.062 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.469 18.837 -12.436 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.466 20.310 -8.920 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.653 18.620 -13.608 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.652 20.140 -10.099 1.00 0.00 H new ATOM 0 HH TYR A 59 15.167 19.877 -13.147 1.00 0.00 H new ATOM 607 N ILE A 60 7.995 19.624 -12.039 1.00 0.00 N ATOM 608 CA ILE A 60 7.630 19.708 -13.459 1.00 0.00 C ATOM 609 C ILE A 60 6.658 20.875 -13.668 1.00 0.00 C ATOM 610 O ILE A 60 6.815 21.644 -14.614 1.00 0.00 O ATOM 611 CB ILE A 60 7.026 18.364 -13.917 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.007 17.180 -13.762 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.547 18.421 -15.378 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.245 15.865 -13.562 1.00 0.00 C ATOM 0 H ILE A 60 7.709 18.751 -11.597 1.00 0.00 H new ATOM 0 HA ILE A 60 8.515 19.898 -14.067 1.00 0.00 H new ATOM 0 HB ILE A 60 6.174 18.195 -13.259 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.640 17.108 -14.646 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.666 17.357 -12.912 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.129 17.455 -15.662 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.783 19.192 -15.481 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.390 18.656 -16.028 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.956 15.045 -13.455 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.632 15.933 -12.664 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.605 15.680 -14.425 1.00 0.00 H new ATOM 626 N MET A 61 5.696 21.059 -12.760 1.00 0.00 N ATOM 627 CA MET A 61 4.725 22.151 -12.834 1.00 0.00 C ATOM 628 C MET A 61 5.376 23.540 -12.696 1.00 0.00 C ATOM 629 O MET A 61 5.053 24.442 -13.469 1.00 0.00 O ATOM 630 CB MET A 61 3.635 21.912 -11.777 1.00 0.00 C ATOM 631 CG MET A 61 2.417 22.818 -11.979 1.00 0.00 C ATOM 632 SD MET A 61 1.549 22.562 -13.556 1.00 0.00 S ATOM 633 CE MET A 61 1.480 24.275 -14.147 1.00 0.00 C ATOM 0 H MET A 61 5.569 20.452 -11.950 1.00 0.00 H new ATOM 0 HA MET A 61 4.273 22.151 -13.826 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.319 20.869 -11.814 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.051 22.084 -10.784 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.716 22.653 -11.161 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.738 23.858 -11.919 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.975 24.307 -15.113 1.00 0.00 H new ATOM 0 HE2 MET A 61 0.931 24.885 -13.430 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.493 24.664 -14.254 1.00 0.00 H new ATOM 643 N VAL A 62 6.332 23.717 -11.772 1.00 0.00 N ATOM 644 CA VAL A 62 7.053 24.993 -11.583 1.00 0.00 C ATOM 645 C VAL A 62 8.085 25.248 -12.683 1.00 0.00 C ATOM 646 O VAL A 62 8.203 26.375 -13.164 1.00 0.00 O ATOM 647 CB VAL A 62 7.652 25.098 -10.166 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.882 24.233 -9.884 1.00 0.00 C ATOM 649 CG2 VAL A 62 8.073 26.529 -9.853 1.00 0.00 C ATOM 0 H VAL A 62 6.630 22.981 -11.132 1.00 0.00 H new ATOM 0 HA VAL A 62 6.320 25.794 -11.675 1.00 0.00 H new ATOM 0 HB VAL A 62 6.835 24.737 -9.541 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.211 24.393 -8.857 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.628 23.182 -10.024 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.684 24.507 -10.569 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.492 26.573 -8.848 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.824 26.853 -10.574 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.205 27.185 -9.914 1.00 0.00 H new ATOM 659 N LYS A 63 8.780 24.199 -13.139 1.00 0.00 N ATOM 660 CA LYS A 63 9.658 24.214 -14.313 1.00 0.00 C ATOM 661 C LYS A 63 8.929 24.228 -15.672 1.00 0.00 C ATOM 662 O LYS A 63 9.612 24.450 -16.669 1.00 0.00 O ATOM 663 CB LYS A 63 10.551 22.969 -14.230 1.00 0.00 C ATOM 664 CG LYS A 63 11.463 22.901 -12.989 1.00 0.00 C ATOM 665 CD LYS A 63 12.911 23.208 -13.348 1.00 0.00 C ATOM 666 CE LYS A 63 13.820 22.917 -12.150 1.00 0.00 C ATOM 667 NZ LYS A 63 15.247 22.817 -12.565 1.00 0.00 N ATOM 0 H LYS A 63 8.745 23.286 -12.685 1.00 0.00 H new ATOM 0 HA LYS A 63 10.220 25.147 -14.283 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.916 22.083 -14.244 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.175 22.928 -15.123 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.114 23.611 -12.239 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.399 21.909 -12.542 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.218 22.606 -14.203 1.00 0.00 H new ATOM 0 HD3 LYS A 63 13.008 24.253 -13.643 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.710 23.707 -11.407 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.511 21.986 -11.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.838 22.619 -11.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 15.354 22.047 -13.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.547 23.714 -12.997 1.00 0.00 H new ATOM 681 N GLN A 64 7.603 23.987 -15.725 1.00 0.00 N ATOM 682 CA GLN A 64 6.750 23.731 -16.902 1.00 0.00 C ATOM 683 C GLN A 64 7.509 22.844 -17.896 1.00 0.00 C ATOM 684 O GLN A 64 7.775 23.197 -19.046 1.00 0.00 O ATOM 685 CB GLN A 64 6.061 24.987 -17.460 1.00 0.00 C ATOM 686 CG GLN A 64 7.019 26.158 -17.661 1.00 0.00 C ATOM 687 CD GLN A 64 7.063 27.128 -16.479 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.056 27.645 -16.009 1.00 0.00 O ATOM 689 NE2 GLN A 64 8.233 27.429 -15.956 1.00 0.00 N ATOM 0 H GLN A 64 7.053 23.965 -14.866 1.00 0.00 H new ATOM 0 HA GLN A 64 5.875 23.154 -16.603 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.591 24.743 -18.413 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.265 25.290 -16.780 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.022 25.769 -17.838 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.727 26.705 -18.557 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.083 27.010 -16.333 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.289 28.082 -15.174 1.00 0.00 H new ATOM 698 N LEU A 65 7.893 21.672 -17.378 1.00 0.00 N ATOM 699 CA LEU A 65 8.836 20.730 -17.968 1.00 0.00 C ATOM 700 C LEU A 65 8.108 19.658 -18.787 1.00 0.00 C ATOM 701 O LEU A 65 8.528 18.508 -18.850 1.00 0.00 O ATOM 702 CB LEU A 65 9.766 20.253 -16.826 1.00 0.00 C ATOM 703 CG LEU A 65 11.194 19.757 -17.120 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.960 20.618 -18.125 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.970 19.783 -15.813 1.00 0.00 C ATOM 0 H LEU A 65 7.530 21.341 -16.484 1.00 0.00 H new ATOM 0 HA LEU A 65 9.483 21.178 -18.723 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.854 21.079 -16.120 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.248 19.445 -16.309 1.00 0.00 H new ATOM 0 HG LEU A 65 11.101 18.761 -17.554 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.956 20.201 -18.277 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.424 20.633 -19.074 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.047 21.635 -17.742 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.989 19.436 -15.988 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.995 20.801 -15.425 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.484 19.130 -15.088 1.00 0.00 H new ATOM 717 N TYR A 66 6.970 20.049 -19.364 1.00 0.00 N ATOM 718 CA TYR A 66 6.055 19.221 -20.148 1.00 0.00 C ATOM 719 C TYR A 66 5.885 19.717 -21.598 1.00 0.00 C ATOM 720 O TYR A 66 6.351 20.803 -21.954 1.00 0.00 O ATOM 721 CB TYR A 66 4.706 19.109 -19.422 1.00 0.00 C ATOM 722 CG TYR A 66 4.135 20.422 -18.916 1.00 0.00 C ATOM 723 CD1 TYR A 66 3.705 21.420 -19.809 1.00 0.00 C ATOM 724 CD2 TYR A 66 4.068 20.647 -17.533 1.00 0.00 C ATOM 725 CE1 TYR A 66 3.219 22.649 -19.320 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.597 21.877 -17.034 1.00 0.00 C ATOM 727 CZ TYR A 66 3.163 22.880 -17.928 1.00 0.00 C ATOM 728 OH TYR A 66 2.701 24.065 -17.442 1.00 0.00 O ATOM 0 H TYR A 66 6.644 21.013 -19.291 1.00 0.00 H new ATOM 0 HA TYR A 66 6.497 18.228 -20.231 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.983 18.654 -20.099 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.821 18.431 -18.576 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.747 21.244 -20.874 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.379 19.873 -16.847 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.890 23.413 -20.009 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.568 22.053 -15.969 1.00 0.00 H new ATOM 0 HH TYR A 66 1.770 23.960 -17.154 1.00 0.00 H new ATOM 738 N ASP A 67 5.193 18.944 -22.442 1.00 0.00 N ATOM 739 CA ASP A 67 4.812 19.380 -23.792 1.00 0.00 C ATOM 740 C ASP A 67 3.683 20.430 -23.762 1.00 0.00 C ATOM 741 O ASP A 67 2.741 20.353 -22.971 1.00 0.00 O ATOM 742 CB ASP A 67 4.419 18.176 -24.667 1.00 0.00 C ATOM 743 CG ASP A 67 4.519 18.439 -26.188 1.00 0.00 C ATOM 744 OD1 ASP A 67 4.456 19.615 -26.625 1.00 0.00 O ATOM 745 OD2 ASP A 67 4.641 17.454 -26.953 1.00 0.00 O ATOM 0 H ASP A 67 4.881 18.001 -22.210 1.00 0.00 H new ATOM 0 HA ASP A 67 5.685 19.858 -24.236 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.060 17.332 -24.413 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.397 17.884 -24.426 1.00 0.00 H new ATOM 750 N GLN A 68 3.749 21.378 -24.693 1.00 0.00 N ATOM 751 CA GLN A 68 2.734 22.387 -25.010 1.00 0.00 C ATOM 752 C GLN A 68 1.413 21.724 -25.443 1.00 0.00 C ATOM 753 O GLN A 68 0.325 22.172 -25.077 1.00 0.00 O ATOM 754 CB GLN A 68 3.235 23.262 -26.183 1.00 0.00 C ATOM 755 CG GLN A 68 4.736 23.622 -26.206 1.00 0.00 C ATOM 756 CD GLN A 68 5.420 23.251 -27.525 1.00 0.00 C ATOM 757 OE1 GLN A 68 5.896 24.103 -28.265 1.00 0.00 O ATOM 758 NE2 GLN A 68 5.515 21.983 -27.886 1.00 0.00 N ATOM 0 H GLN A 68 4.571 21.471 -25.290 1.00 0.00 H new ATOM 0 HA GLN A 68 2.562 22.987 -24.117 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.997 22.747 -27.114 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.665 24.191 -26.178 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.850 24.692 -26.032 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.239 23.110 -25.386 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.127 21.252 -27.289 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.976 21.735 -28.762 1.00 0.00 H new ATOM 767 N GLN A 69 1.523 20.629 -26.207 1.00 0.00 N ATOM 768 CA GLN A 69 0.380 19.857 -26.716 1.00 0.00 C ATOM 769 C GLN A 69 -0.197 18.868 -25.682 1.00 0.00 C ATOM 770 O GLN A 69 -1.388 18.558 -25.724 1.00 0.00 O ATOM 771 CB GLN A 69 0.790 19.100 -27.994 1.00 0.00 C ATOM 772 CG GLN A 69 0.703 19.943 -29.279 1.00 0.00 C ATOM 773 CD GLN A 69 1.643 21.146 -29.306 1.00 0.00 C ATOM 774 OE1 GLN A 69 1.232 22.298 -29.244 1.00 0.00 O ATOM 775 NE2 GLN A 69 2.939 20.935 -29.402 1.00 0.00 N ATOM 0 H GLN A 69 2.424 20.248 -26.494 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.411 20.574 -26.937 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.812 18.739 -27.878 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.153 18.223 -28.104 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.924 19.304 -30.134 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.322 20.294 -29.400 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.298 19.982 -29.455 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.584 21.725 -29.424 1.00 0.00 H new ATOM 784 N GLU A 70 0.633 18.364 -24.762 1.00 0.00 N ATOM 785 CA GLU A 70 0.299 17.284 -23.822 1.00 0.00 C ATOM 786 C GLU A 70 0.959 17.521 -22.453 1.00 0.00 C ATOM 787 O GLU A 70 2.085 17.098 -22.203 1.00 0.00 O ATOM 788 CB GLU A 70 0.736 15.927 -24.411 1.00 0.00 C ATOM 789 CG GLU A 70 -0.177 15.444 -25.545 1.00 0.00 C ATOM 790 CD GLU A 70 0.106 13.971 -25.894 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.460 13.073 -25.222 1.00 0.00 O ATOM 792 OE2 GLU A 70 0.881 13.700 -26.844 1.00 0.00 O ATOM 0 H GLU A 70 1.587 18.706 -24.646 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.780 17.274 -23.671 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.757 16.011 -24.784 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.747 15.180 -23.618 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.220 15.557 -25.250 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.026 16.066 -26.428 1.00 0.00 H new ATOM 799 N GLN A 71 0.252 18.186 -21.537 1.00 0.00 N ATOM 800 CA GLN A 71 0.778 18.574 -20.222 1.00 0.00 C ATOM 801 C GLN A 71 1.153 17.388 -19.314 1.00 0.00 C ATOM 802 O GLN A 71 2.022 17.512 -18.452 1.00 0.00 O ATOM 803 CB GLN A 71 -0.285 19.435 -19.536 1.00 0.00 C ATOM 804 CG GLN A 71 -0.224 20.913 -19.953 1.00 0.00 C ATOM 805 CD GLN A 71 -0.732 21.211 -21.364 1.00 0.00 C ATOM 806 OE1 GLN A 71 -1.896 21.524 -21.578 1.00 0.00 O ATOM 807 NE2 GLN A 71 0.097 21.139 -22.383 1.00 0.00 N ATOM 0 H GLN A 71 -0.715 18.475 -21.687 1.00 0.00 H new ATOM 0 HA GLN A 71 1.709 19.117 -20.386 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.273 19.038 -19.770 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.161 19.363 -18.456 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.807 21.499 -19.243 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.809 21.254 -19.876 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.072 20.880 -22.230 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.235 21.342 -23.326 1.00 0.00 H new ATOM 816 N HIS A 72 0.522 16.229 -19.510 1.00 0.00 N ATOM 817 CA HIS A 72 0.856 14.962 -18.850 1.00 0.00 C ATOM 818 C HIS A 72 2.120 14.285 -19.417 1.00 0.00 C ATOM 819 O HIS A 72 2.684 13.407 -18.765 1.00 0.00 O ATOM 820 CB HIS A 72 -0.354 14.023 -18.974 1.00 0.00 C ATOM 821 CG HIS A 72 -0.922 13.981 -20.367 1.00 0.00 C ATOM 822 ND1 HIS A 72 -1.804 14.921 -20.898 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.494 13.158 -21.362 1.00 0.00 C ATOM 824 CE1 HIS A 72 -1.892 14.649 -22.206 1.00 0.00 C ATOM 825 NE2 HIS A 72 -1.129 13.582 -22.512 1.00 0.00 N ATOM 0 H HIS A 72 -0.263 16.142 -20.155 1.00 0.00 H new ATOM 0 HA HIS A 72 1.083 15.179 -17.806 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.059 13.017 -18.677 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.130 14.345 -18.280 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.203 12.338 -21.271 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.489 15.205 -22.914 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -1.036 13.159 -23.436 1.00 0.00 H new ATOM 833 N MET A 73 2.570 14.678 -20.612 1.00 0.00 N ATOM 834 CA MET A 73 3.811 14.213 -21.236 1.00 0.00 C ATOM 835 C MET A 73 4.966 15.133 -20.824 1.00 0.00 C ATOM 836 O MET A 73 4.946 16.339 -21.076 1.00 0.00 O ATOM 837 CB MET A 73 3.635 14.141 -22.761 1.00 0.00 C ATOM 838 CG MET A 73 4.878 13.595 -23.466 1.00 0.00 C ATOM 839 SD MET A 73 5.338 11.906 -22.997 1.00 0.00 S ATOM 840 CE MET A 73 6.928 11.812 -23.854 1.00 0.00 C ATOM 0 H MET A 73 2.064 15.350 -21.190 1.00 0.00 H new ATOM 0 HA MET A 73 4.052 13.207 -20.892 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.780 13.507 -22.996 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.410 15.136 -23.145 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.710 13.625 -24.543 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.718 14.257 -23.256 1.00 0.00 H new ATOM 0 HE1 MET A 73 7.530 11.014 -23.418 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.760 11.604 -24.911 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.454 12.761 -23.750 1.00 0.00 H new ATOM 850 N VAL A 74 5.983 14.564 -20.183 1.00 0.00 N ATOM 851 CA VAL A 74 7.071 15.287 -19.514 1.00 0.00 C ATOM 852 C VAL A 74 8.357 15.192 -20.348 1.00 0.00 C ATOM 853 O VAL A 74 8.704 14.118 -20.840 1.00 0.00 O ATOM 854 CB VAL A 74 7.291 14.736 -18.090 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.212 15.667 -17.301 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.976 14.609 -17.301 1.00 0.00 C ATOM 0 H VAL A 74 6.080 13.551 -20.110 1.00 0.00 H new ATOM 0 HA VAL A 74 6.796 16.338 -19.427 1.00 0.00 H new ATOM 0 HB VAL A 74 7.733 13.747 -18.208 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.360 15.268 -16.298 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.174 15.742 -17.807 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.759 16.656 -17.235 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.185 14.217 -16.306 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.508 15.589 -17.214 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.302 13.930 -17.824 1.00 0.00 H new ATOM 866 N TYR A 75 9.085 16.303 -20.473 1.00 0.00 N ATOM 867 CA TYR A 75 10.329 16.450 -21.235 1.00 0.00 C ATOM 868 C TYR A 75 11.430 17.078 -20.358 1.00 0.00 C ATOM 869 O TYR A 75 11.552 18.297 -20.267 1.00 0.00 O ATOM 870 CB TYR A 75 10.048 17.269 -22.505 1.00 0.00 C ATOM 871 CG TYR A 75 9.454 16.418 -23.607 1.00 0.00 C ATOM 872 CD1 TYR A 75 10.272 15.453 -24.224 1.00 0.00 C ATOM 873 CD2 TYR A 75 8.102 16.543 -23.983 1.00 0.00 C ATOM 874 CE1 TYR A 75 9.740 14.600 -25.204 1.00 0.00 C ATOM 875 CE2 TYR A 75 7.574 15.706 -24.986 1.00 0.00 C ATOM 876 CZ TYR A 75 8.391 14.729 -25.599 1.00 0.00 C ATOM 877 OH TYR A 75 7.891 13.911 -26.568 1.00 0.00 O ATOM 0 H TYR A 75 8.808 17.174 -20.020 1.00 0.00 H new ATOM 0 HA TYR A 75 10.698 15.471 -21.541 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.364 18.084 -22.267 1.00 0.00 H new ATOM 0 HB3 TYR A 75 10.975 17.723 -22.857 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.311 15.369 -23.943 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.472 17.278 -23.504 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.364 13.844 -25.657 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.542 15.811 -25.287 1.00 0.00 H new ATOM 0 HH TYR A 75 6.948 14.127 -26.723 1.00 0.00 H new ATOM 887 N CYS A 76 12.241 16.232 -19.712 1.00 0.00 N ATOM 888 CA CYS A 76 13.319 16.601 -18.782 1.00 0.00 C ATOM 889 C CYS A 76 14.722 16.690 -19.413 1.00 0.00 C ATOM 890 O CYS A 76 15.705 16.814 -18.681 1.00 0.00 O ATOM 891 CB CYS A 76 13.315 15.633 -17.590 1.00 0.00 C ATOM 892 SG CYS A 76 11.803 15.838 -16.612 1.00 0.00 S ATOM 0 H CYS A 76 12.161 15.222 -19.828 1.00 0.00 H new ATOM 0 HA CYS A 76 13.103 17.618 -18.454 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.387 14.606 -17.948 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.188 15.815 -16.963 1.00 0.00 H new ATOM 0 HG CYS A 76 12.002 16.731 -15.688 1.00 0.00 H new ATOM 898 N GLY A 77 14.848 16.608 -20.742 1.00 0.00 N ATOM 899 CA GLY A 77 16.143 16.697 -21.430 1.00 0.00 C ATOM 900 C GLY A 77 16.901 17.987 -21.073 1.00 0.00 C ATOM 901 O GLY A 77 16.404 19.091 -21.309 1.00 0.00 O ATOM 0 H GLY A 77 14.056 16.478 -21.372 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.753 15.834 -21.166 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.984 16.657 -22.508 1.00 0.00 H new ATOM 905 N GLY A 78 18.093 17.844 -20.483 1.00 0.00 N ATOM 906 CA GLY A 78 18.933 18.954 -20.005 1.00 0.00 C ATOM 907 C GLY A 78 18.666 19.435 -18.565 1.00 0.00 C ATOM 908 O GLY A 78 19.334 20.369 -18.117 1.00 0.00 O ATOM 0 H GLY A 78 18.514 16.929 -20.319 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.977 18.650 -20.077 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.800 19.800 -20.679 1.00 0.00 H new ATOM 912 N ASP A 79 17.737 18.817 -17.824 1.00 0.00 N ATOM 913 CA ASP A 79 17.469 19.091 -16.400 1.00 0.00 C ATOM 914 C ASP A 79 17.969 17.966 -15.474 1.00 0.00 C ATOM 915 O ASP A 79 18.194 16.833 -15.915 1.00 0.00 O ATOM 916 CB ASP A 79 15.972 19.379 -16.184 1.00 0.00 C ATOM 917 CG ASP A 79 15.751 20.856 -15.823 1.00 0.00 C ATOM 918 OD1 ASP A 79 16.066 21.239 -14.671 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.296 21.642 -16.687 1.00 0.00 O ATOM 0 H ASP A 79 17.132 18.091 -18.207 1.00 0.00 H new ATOM 0 HA ASP A 79 18.037 19.980 -16.127 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.415 19.133 -17.088 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.585 18.743 -15.388 1.00 0.00 H new ATOM 924 N LEU A 80 18.110 18.254 -14.170 1.00 0.00 N ATOM 925 CA LEU A 80 18.648 17.299 -13.194 1.00 0.00 C ATOM 926 C LEU A 80 17.774 16.055 -13.110 1.00 0.00 C ATOM 927 O LEU A 80 18.290 14.941 -13.091 1.00 0.00 O ATOM 928 CB LEU A 80 18.714 17.946 -11.802 1.00 0.00 C ATOM 929 CG LEU A 80 19.605 17.199 -10.789 1.00 0.00 C ATOM 930 CD1 LEU A 80 21.053 17.022 -11.244 1.00 0.00 C ATOM 931 CD2 LEU A 80 19.648 17.995 -9.487 1.00 0.00 C ATOM 0 H LEU A 80 17.854 19.155 -13.765 1.00 0.00 H new ATOM 0 HA LEU A 80 19.647 17.015 -13.524 1.00 0.00 H new ATOM 0 HB2 LEU A 80 19.083 18.966 -11.907 1.00 0.00 H new ATOM 0 HB3 LEU A 80 17.704 18.012 -11.398 1.00 0.00 H new ATOM 0 HG LEU A 80 19.162 16.209 -10.676 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.613 16.488 -10.476 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.075 16.452 -12.173 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.505 18.000 -11.408 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.276 17.475 -8.763 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.060 18.986 -9.680 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.639 18.093 -9.087 1.00 0.00 H new ATOM 943 N LEU A 81 16.448 16.252 -13.102 1.00 0.00 N ATOM 944 CA LEU A 81 15.498 15.148 -13.114 1.00 0.00 C ATOM 945 C LEU A 81 15.725 14.189 -14.302 1.00 0.00 C ATOM 946 O LEU A 81 15.691 12.972 -14.127 1.00 0.00 O ATOM 947 CB LEU A 81 14.071 15.733 -13.058 1.00 0.00 C ATOM 948 CG LEU A 81 12.920 14.705 -13.133 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.044 13.562 -12.121 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.591 15.418 -12.874 1.00 0.00 C ATOM 0 H LEU A 81 16.014 17.175 -13.087 1.00 0.00 H new ATOM 0 HA LEU A 81 15.650 14.522 -12.234 1.00 0.00 H new ATOM 0 HB2 LEU A 81 13.967 16.300 -12.133 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.956 16.440 -13.880 1.00 0.00 H new ATOM 0 HG LEU A 81 12.968 14.268 -14.130 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.200 12.882 -12.235 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.973 13.020 -12.297 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.047 13.970 -11.110 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.775 14.697 -12.926 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.610 15.874 -11.884 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.440 16.191 -13.627 1.00 0.00 H new ATOM 962 N GLY A 82 16.034 14.724 -15.487 1.00 0.00 N ATOM 963 CA GLY A 82 16.338 13.927 -16.680 1.00 0.00 C ATOM 964 C GLY A 82 17.690 13.213 -16.602 1.00 0.00 C ATOM 965 O GLY A 82 17.789 12.030 -16.927 1.00 0.00 O ATOM 0 H GLY A 82 16.081 15.730 -15.647 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.551 13.186 -16.824 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.328 14.577 -17.555 1.00 0.00 H new ATOM 969 N GLU A 83 18.728 13.886 -16.100 1.00 0.00 N ATOM 970 CA GLU A 83 20.057 13.282 -15.915 1.00 0.00 C ATOM 971 C GLU A 83 20.040 12.160 -14.856 1.00 0.00 C ATOM 972 O GLU A 83 20.716 11.141 -15.014 1.00 0.00 O ATOM 973 CB GLU A 83 21.095 14.391 -15.637 1.00 0.00 C ATOM 974 CG GLU A 83 21.831 14.331 -14.291 1.00 0.00 C ATOM 975 CD GLU A 83 22.960 15.382 -14.221 1.00 0.00 C ATOM 976 OE1 GLU A 83 22.700 16.595 -14.411 1.00 0.00 O ATOM 977 OE2 GLU A 83 24.130 14.998 -13.976 1.00 0.00 O ATOM 0 H GLU A 83 18.675 14.862 -15.810 1.00 0.00 H new ATOM 0 HA GLU A 83 20.358 12.783 -16.836 1.00 0.00 H new ATOM 0 HB2 GLU A 83 21.840 14.366 -16.432 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.589 15.354 -15.704 1.00 0.00 H new ATOM 0 HG2 GLU A 83 21.123 14.500 -13.479 1.00 0.00 H new ATOM 0 HG3 GLU A 83 22.249 13.335 -14.147 1.00 0.00 H new ATOM 984 N LEU A 84 19.220 12.322 -13.813 1.00 0.00 N ATOM 985 CA LEU A 84 18.974 11.336 -12.761 1.00 0.00 C ATOM 986 C LEU A 84 18.250 10.104 -13.327 1.00 0.00 C ATOM 987 O LEU A 84 18.741 8.980 -13.207 1.00 0.00 O ATOM 988 CB LEU A 84 18.191 12.057 -11.648 1.00 0.00 C ATOM 989 CG LEU A 84 17.868 11.291 -10.359 1.00 0.00 C ATOM 990 CD1 LEU A 84 16.985 10.066 -10.557 1.00 0.00 C ATOM 991 CD2 LEU A 84 19.122 10.891 -9.585 1.00 0.00 C ATOM 0 H LEU A 84 18.688 13.181 -13.675 1.00 0.00 H new ATOM 0 HA LEU A 84 19.902 10.946 -12.344 1.00 0.00 H new ATOM 0 HB2 LEU A 84 18.755 12.947 -11.371 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.248 12.398 -12.075 1.00 0.00 H new ATOM 0 HG LEU A 84 17.295 12.009 -9.772 1.00 0.00 H new ATOM 0 HD11 LEU A 84 16.808 9.586 -9.595 1.00 0.00 H new ATOM 0 HD12 LEU A 84 16.033 10.370 -10.992 1.00 0.00 H new ATOM 0 HD13 LEU A 84 17.482 9.364 -11.227 1.00 0.00 H new ATOM 0 HD21 LEU A 84 18.836 10.352 -8.682 1.00 0.00 H new ATOM 0 HD22 LEU A 84 19.745 10.250 -10.208 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.682 11.786 -9.311 1.00 0.00 H new ATOM 1003 N LEU A 85 17.113 10.333 -13.995 1.00 0.00 N ATOM 1004 CA LEU A 85 16.392 9.318 -14.786 1.00 0.00 C ATOM 1005 C LEU A 85 17.298 8.614 -15.820 1.00 0.00 C ATOM 1006 O LEU A 85 17.070 7.445 -16.140 1.00 0.00 O ATOM 1007 CB LEU A 85 15.231 9.991 -15.558 1.00 0.00 C ATOM 1008 CG LEU A 85 13.903 10.060 -14.802 1.00 0.00 C ATOM 1009 CD1 LEU A 85 12.975 11.065 -15.470 1.00 0.00 C ATOM 1010 CD2 LEU A 85 13.187 8.707 -14.786 1.00 0.00 C ATOM 0 H LEU A 85 16.656 11.245 -14.004 1.00 0.00 H new ATOM 0 HA LEU A 85 16.028 8.572 -14.079 1.00 0.00 H new ATOM 0 HB2 LEU A 85 15.532 11.004 -15.825 1.00 0.00 H new ATOM 0 HB3 LEU A 85 15.073 9.449 -16.490 1.00 0.00 H new ATOM 0 HG LEU A 85 14.135 10.358 -13.779 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.032 11.108 -14.925 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.442 12.050 -15.465 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.786 10.758 -16.499 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.248 8.799 -14.240 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.982 8.392 -15.809 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.820 7.966 -14.298 1.00 0.00 H new ATOM 1022 N GLY A 86 18.297 9.323 -16.363 1.00 0.00 N ATOM 1023 CA GLY A 86 19.086 8.880 -17.520 1.00 0.00 C ATOM 1024 C GLY A 86 18.220 8.872 -18.789 1.00 0.00 C ATOM 1025 O GLY A 86 18.409 8.036 -19.677 1.00 0.00 O ATOM 0 H GLY A 86 18.584 10.234 -16.005 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.941 9.542 -17.660 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.483 7.881 -17.337 1.00 0.00 H new ATOM 1029 N ARG A 87 17.223 9.770 -18.830 1.00 0.00 N ATOM 1030 CA ARG A 87 16.121 9.817 -19.800 1.00 0.00 C ATOM 1031 C ARG A 87 15.636 11.253 -19.999 1.00 0.00 C ATOM 1032 O ARG A 87 15.487 11.990 -19.027 1.00 0.00 O ATOM 1033 CB ARG A 87 14.978 8.969 -19.205 1.00 0.00 C ATOM 1034 CG ARG A 87 14.105 8.256 -20.229 1.00 0.00 C ATOM 1035 CD ARG A 87 13.020 7.491 -19.459 1.00 0.00 C ATOM 1036 NE ARG A 87 12.061 6.871 -20.391 1.00 0.00 N ATOM 1037 CZ ARG A 87 12.084 5.645 -20.885 1.00 0.00 C ATOM 1038 NH1 ARG A 87 13.022 4.790 -20.587 1.00 0.00 N ATOM 1039 NH2 ARG A 87 11.150 5.247 -21.699 1.00 0.00 N ATOM 0 H ARG A 87 17.162 10.525 -18.147 1.00 0.00 H new ATOM 0 HA ARG A 87 16.447 9.439 -20.769 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.409 8.224 -18.536 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.345 9.615 -18.597 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.654 8.974 -20.915 1.00 0.00 H new ATOM 0 HG3 ARG A 87 14.702 7.571 -20.831 1.00 0.00 H new ATOM 0 HD2 ARG A 87 13.481 6.722 -18.838 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.495 8.171 -18.788 1.00 0.00 H new ATOM 0 HE ARG A 87 11.284 7.460 -20.692 1.00 0.00 H new ATOM 0 HH11 ARG A 87 13.774 5.058 -19.952 1.00 0.00 H new ATOM 0 HH12 ARG A 87 13.004 3.853 -20.989 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.395 5.882 -21.959 1.00 0.00 H new ATOM 0 HH22 ARG A 87 11.173 4.300 -22.077 1.00 0.00 H new ATOM 1053 N GLN A 88 15.298 11.634 -21.228 1.00 0.00 N ATOM 1054 CA GLN A 88 14.721 12.958 -21.511 1.00 0.00 C ATOM 1055 C GLN A 88 13.200 13.030 -21.397 1.00 0.00 C ATOM 1056 O GLN A 88 12.661 14.130 -21.402 1.00 0.00 O ATOM 1057 CB GLN A 88 15.182 13.443 -22.887 1.00 0.00 C ATOM 1058 CG GLN A 88 14.672 12.632 -24.091 1.00 0.00 C ATOM 1059 CD GLN A 88 15.143 13.237 -25.414 1.00 0.00 C ATOM 1060 OE1 GLN A 88 16.097 12.784 -26.034 1.00 0.00 O ATOM 1061 NE2 GLN A 88 14.507 14.288 -25.893 1.00 0.00 N ATOM 0 H GLN A 88 15.412 11.045 -22.053 1.00 0.00 H new ATOM 0 HA GLN A 88 15.095 13.620 -20.730 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.865 14.479 -23.011 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.272 13.439 -22.906 1.00 0.00 H new ATOM 0 HG2 GLN A 88 15.025 11.604 -24.014 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.583 12.598 -24.073 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.711 14.676 -25.388 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.811 14.713 -26.769 1.00 0.00 H new ATOM 1070 N SER A 89 12.496 11.902 -21.332 1.00 0.00 N ATOM 1071 CA SER A 89 11.021 11.908 -21.271 1.00 0.00 C ATOM 1072 C SER A 89 10.336 10.689 -20.640 1.00 0.00 C ATOM 1073 O SER A 89 10.863 9.575 -20.622 1.00 0.00 O ATOM 1074 CB SER A 89 10.441 12.139 -22.674 1.00 0.00 C ATOM 1075 OG SER A 89 10.681 11.043 -23.546 1.00 0.00 O ATOM 0 H SER A 89 12.913 10.971 -21.320 1.00 0.00 H new ATOM 0 HA SER A 89 10.800 12.726 -20.585 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.367 12.310 -22.597 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.878 13.042 -23.101 1.00 0.00 H new ATOM 0 HG SER A 89 10.293 11.234 -24.426 1.00 0.00 H new ATOM 1081 N PHE A 90 9.131 10.939 -20.122 1.00 0.00 N ATOM 1082 CA PHE A 90 8.171 9.991 -19.539 1.00 0.00 C ATOM 1083 C PHE A 90 6.775 10.654 -19.498 1.00 0.00 C ATOM 1084 O PHE A 90 6.635 11.828 -19.840 1.00 0.00 O ATOM 1085 CB PHE A 90 8.635 9.576 -18.129 1.00 0.00 C ATOM 1086 CG PHE A 90 8.772 10.719 -17.140 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.964 11.466 -17.092 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.711 11.045 -16.274 1.00 0.00 C ATOM 1089 CE1 PHE A 90 10.096 12.534 -16.190 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.846 12.110 -15.366 1.00 0.00 C ATOM 1091 CZ PHE A 90 9.042 12.850 -15.312 1.00 0.00 C ATOM 0 H PHE A 90 8.768 11.892 -20.096 1.00 0.00 H new ATOM 0 HA PHE A 90 8.114 9.090 -20.149 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.927 8.851 -17.728 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.597 9.070 -18.213 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.781 11.216 -17.752 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.793 10.477 -16.307 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.007 13.114 -16.170 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.028 12.361 -14.707 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.150 13.656 -14.601 1.00 0.00 H new ATOM 1101 N SER A 91 5.735 9.940 -19.061 1.00 0.00 N ATOM 1102 CA SER A 91 4.372 10.482 -18.907 1.00 0.00 C ATOM 1103 C SER A 91 3.765 10.077 -17.566 1.00 0.00 C ATOM 1104 O SER A 91 4.079 9.005 -17.054 1.00 0.00 O ATOM 1105 CB SER A 91 3.498 9.990 -20.065 1.00 0.00 C ATOM 1106 OG SER A 91 2.136 10.341 -19.868 1.00 0.00 O ATOM 0 H SER A 91 5.811 8.957 -18.800 1.00 0.00 H new ATOM 0 HA SER A 91 4.422 11.571 -18.928 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.855 10.420 -21.001 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.587 8.908 -20.157 1.00 0.00 H new ATOM 0 HG SER A 91 2.081 11.252 -19.511 1.00 0.00 H new ATOM 1112 N VAL A 92 2.829 10.859 -17.015 1.00 0.00 N ATOM 1113 CA VAL A 92 2.035 10.447 -15.848 1.00 0.00 C ATOM 1114 C VAL A 92 1.194 9.185 -16.135 1.00 0.00 C ATOM 1115 O VAL A 92 0.804 8.472 -15.209 1.00 0.00 O ATOM 1116 CB VAL A 92 1.158 11.611 -15.337 1.00 0.00 C ATOM 1117 CG1 VAL A 92 1.840 12.981 -15.416 1.00 0.00 C ATOM 1118 CG2 VAL A 92 -0.208 11.706 -16.022 1.00 0.00 C ATOM 0 H VAL A 92 2.600 11.790 -17.362 1.00 0.00 H new ATOM 0 HA VAL A 92 2.735 10.183 -15.055 1.00 0.00 H new ATOM 0 HB VAL A 92 1.005 11.355 -14.288 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.162 13.747 -15.040 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.747 12.971 -14.812 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.096 13.201 -16.452 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.764 12.547 -15.609 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.069 11.854 -17.093 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.765 10.785 -15.852 1.00 0.00 H new ATOM 1128 N LYS A 93 0.943 8.898 -17.426 1.00 0.00 N ATOM 1129 CA LYS A 93 0.227 7.717 -17.948 1.00 0.00 C ATOM 1130 C LYS A 93 1.162 6.532 -18.264 1.00 0.00 C ATOM 1131 O LYS A 93 0.687 5.422 -18.502 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.584 8.134 -19.194 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.613 9.244 -18.902 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.257 9.792 -20.184 1.00 0.00 C ATOM 1135 CE LYS A 93 -3.206 10.948 -19.829 1.00 0.00 C ATOM 1136 NZ LYS A 93 -3.733 11.631 -21.043 1.00 0.00 N ATOM 0 H LYS A 93 1.251 9.518 -18.175 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.444 7.359 -17.167 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.102 8.477 -19.968 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.103 7.261 -19.591 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.390 8.852 -18.246 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.124 10.058 -18.367 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.485 10.139 -20.871 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.806 9.001 -20.694 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.038 10.565 -19.238 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.679 11.671 -19.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.368 12.404 -20.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.941 12.019 -21.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.258 10.948 -21.625 1.00 0.00 H new ATOM 1150 N ASP A 94 2.480 6.756 -18.248 1.00 0.00 N ATOM 1151 CA ASP A 94 3.537 5.744 -18.409 1.00 0.00 C ATOM 1152 C ASP A 94 4.779 6.108 -17.548 1.00 0.00 C ATOM 1153 O ASP A 94 5.832 6.468 -18.088 1.00 0.00 O ATOM 1154 CB ASP A 94 3.862 5.603 -19.908 1.00 0.00 C ATOM 1155 CG ASP A 94 4.892 4.495 -20.199 1.00 0.00 C ATOM 1156 OD1 ASP A 94 4.862 3.436 -19.526 1.00 0.00 O ATOM 1157 OD2 ASP A 94 5.708 4.658 -21.139 1.00 0.00 O ATOM 0 H ASP A 94 2.861 7.693 -18.116 1.00 0.00 H new ATOM 0 HA ASP A 94 3.196 4.774 -18.047 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.943 5.390 -20.455 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.243 6.553 -20.282 1.00 0.00 H new ATOM 1162 N PRO A 95 4.662 6.075 -16.201 1.00 0.00 N ATOM 1163 CA PRO A 95 5.671 6.610 -15.279 1.00 0.00 C ATOM 1164 C PRO A 95 6.763 5.613 -14.852 1.00 0.00 C ATOM 1165 O PRO A 95 7.641 5.970 -14.066 1.00 0.00 O ATOM 1166 CB PRO A 95 4.849 7.085 -14.082 1.00 0.00 C ATOM 1167 CG PRO A 95 3.769 6.008 -13.983 1.00 0.00 C ATOM 1168 CD PRO A 95 3.458 5.724 -15.450 1.00 0.00 C ATOM 0 HA PRO A 95 6.249 7.396 -15.764 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.449 7.144 -13.174 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.423 8.075 -14.248 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.127 5.119 -13.464 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.891 6.361 -13.442 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.200 4.675 -15.597 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.604 6.312 -15.787 1.00 0.00 H new ATOM 1176 N SER A 96 6.727 4.371 -15.345 1.00 0.00 N ATOM 1177 CA SER A 96 7.597 3.250 -14.943 1.00 0.00 C ATOM 1178 C SER A 96 9.094 3.567 -14.731 1.00 0.00 C ATOM 1179 O SER A 96 9.626 3.125 -13.708 1.00 0.00 O ATOM 1180 CB SER A 96 7.460 2.106 -15.957 1.00 0.00 C ATOM 1181 OG SER A 96 6.097 1.717 -16.073 1.00 0.00 O ATOM 0 H SER A 96 6.061 4.102 -16.069 1.00 0.00 H new ATOM 0 HA SER A 96 7.236 2.976 -13.952 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.840 2.423 -16.928 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.064 1.255 -15.641 1.00 0.00 H new ATOM 0 HG SER A 96 6.019 0.988 -16.723 1.00 0.00 H new ATOM 1187 N PRO A 97 9.803 4.340 -15.590 1.00 0.00 N ATOM 1188 CA PRO A 97 11.222 4.640 -15.360 1.00 0.00 C ATOM 1189 C PRO A 97 11.484 5.478 -14.095 1.00 0.00 C ATOM 1190 O PRO A 97 12.560 5.365 -13.511 1.00 0.00 O ATOM 1191 CB PRO A 97 11.708 5.346 -16.632 1.00 0.00 C ATOM 1192 CG PRO A 97 10.436 5.971 -17.197 1.00 0.00 C ATOM 1193 CD PRO A 97 9.387 4.915 -16.869 1.00 0.00 C ATOM 0 HA PRO A 97 11.774 3.719 -15.171 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.462 6.101 -16.409 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.157 4.644 -17.335 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.210 6.929 -16.729 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.512 6.151 -18.269 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.393 5.357 -16.797 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.341 4.152 -17.646 1.00 0.00 H new ATOM 1201 N LEU A 98 10.509 6.263 -13.611 1.00 0.00 N ATOM 1202 CA LEU A 98 10.638 7.010 -12.352 1.00 0.00 C ATOM 1203 C LEU A 98 10.647 6.042 -11.159 1.00 0.00 C ATOM 1204 O LEU A 98 11.527 6.088 -10.302 1.00 0.00 O ATOM 1205 CB LEU A 98 9.566 8.136 -12.304 1.00 0.00 C ATOM 1206 CG LEU A 98 8.293 7.966 -11.444 1.00 0.00 C ATOM 1207 CD1 LEU A 98 8.523 8.157 -9.939 1.00 0.00 C ATOM 1208 CD2 LEU A 98 7.271 9.026 -11.854 1.00 0.00 C ATOM 0 H LEU A 98 9.613 6.397 -14.080 1.00 0.00 H new ATOM 0 HA LEU A 98 11.597 7.525 -12.291 1.00 0.00 H new ATOM 0 HB2 LEU A 98 10.066 9.043 -11.964 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.241 8.316 -13.329 1.00 0.00 H new ATOM 0 HG LEU A 98 7.957 6.943 -11.616 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.581 8.021 -9.407 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.248 7.424 -9.586 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.903 9.162 -9.754 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.369 8.914 -11.252 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.692 10.019 -11.695 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.022 8.903 -12.908 1.00 0.00 H new ATOM 1220 N TYR A 99 9.729 5.076 -11.129 1.00 0.00 N ATOM 1221 CA TYR A 99 9.687 4.108 -10.036 1.00 0.00 C ATOM 1222 C TYR A 99 10.992 3.306 -9.961 1.00 0.00 C ATOM 1223 O TYR A 99 11.479 3.041 -8.868 1.00 0.00 O ATOM 1224 CB TYR A 99 8.464 3.197 -10.197 1.00 0.00 C ATOM 1225 CG TYR A 99 7.142 3.879 -9.894 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.533 4.702 -10.860 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.529 3.703 -8.638 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.330 5.367 -10.566 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.299 4.330 -8.356 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.691 5.160 -9.325 1.00 0.00 C ATOM 1231 OH TYR A 99 3.485 5.743 -9.079 1.00 0.00 O ATOM 0 H TYR A 99 9.012 4.944 -11.842 1.00 0.00 H new ATOM 0 HA TYR A 99 9.590 4.642 -9.091 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.439 2.816 -11.218 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.576 2.336 -9.538 1.00 0.00 H new ATOM 0 HD1 TYR A 99 6.992 4.823 -11.830 1.00 0.00 H new ATOM 0 HD2 TYR A 99 7.003 3.086 -7.889 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.894 6.038 -11.291 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.821 4.176 -7.400 1.00 0.00 H new ATOM 0 HH TYR A 99 3.181 5.500 -8.180 1.00 0.00 H new ATOM 1241 N ASP A 100 11.633 3.039 -11.102 1.00 0.00 N ATOM 1242 CA ASP A 100 12.937 2.372 -11.182 1.00 0.00 C ATOM 1243 C ASP A 100 14.068 3.255 -10.643 1.00 0.00 C ATOM 1244 O ASP A 100 14.908 2.798 -9.868 1.00 0.00 O ATOM 1245 CB ASP A 100 13.214 1.996 -12.633 1.00 0.00 C ATOM 1246 CG ASP A 100 14.365 0.983 -12.744 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.154 -0.210 -12.419 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.480 1.373 -13.165 1.00 0.00 O ATOM 0 H ASP A 100 11.253 3.285 -12.016 1.00 0.00 H new ATOM 0 HA ASP A 100 12.902 1.478 -10.560 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.313 1.575 -13.079 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.461 2.893 -13.201 1.00 0.00 H new ATOM 1253 N MET A 101 14.035 4.549 -10.979 1.00 0.00 N ATOM 1254 CA MET A 101 14.961 5.553 -10.435 1.00 0.00 C ATOM 1255 C MET A 101 14.824 5.692 -8.906 1.00 0.00 C ATOM 1256 O MET A 101 15.803 6.024 -8.242 1.00 0.00 O ATOM 1257 CB MET A 101 14.832 6.904 -11.177 1.00 0.00 C ATOM 1258 CG MET A 101 14.071 7.962 -10.372 1.00 0.00 C ATOM 1259 SD MET A 101 13.434 9.374 -11.288 1.00 0.00 S ATOM 1260 CE MET A 101 12.111 9.812 -10.138 1.00 0.00 C ATOM 0 H MET A 101 13.361 4.934 -11.641 1.00 0.00 H new ATOM 0 HA MET A 101 15.976 5.198 -10.615 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.828 7.280 -11.410 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.322 6.743 -12.127 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.233 7.473 -9.875 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.732 8.335 -9.590 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.518 10.624 -10.558 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.472 8.945 -9.971 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.544 10.132 -9.190 1.00 0.00 H new ATOM 1270 N LEU A 102 13.635 5.444 -8.336 1.00 0.00 N ATOM 1271 CA LEU A 102 13.414 5.428 -6.899 1.00 0.00 C ATOM 1272 C LEU A 102 13.896 4.091 -6.340 1.00 0.00 C ATOM 1273 O LEU A 102 14.665 4.120 -5.393 1.00 0.00 O ATOM 1274 CB LEU A 102 11.936 5.713 -6.544 1.00 0.00 C ATOM 1275 CG LEU A 102 11.358 7.062 -7.021 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.923 7.217 -6.517 1.00 0.00 C ATOM 1277 CD2 LEU A 102 12.147 8.288 -6.560 1.00 0.00 C ATOM 0 H LEU A 102 12.793 5.247 -8.877 1.00 0.00 H new ATOM 0 HA LEU A 102 13.989 6.230 -6.436 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.325 4.913 -6.963 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.830 5.661 -5.460 1.00 0.00 H new ATOM 0 HG LEU A 102 11.414 7.028 -8.109 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.519 8.171 -6.856 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.310 6.404 -6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.915 7.186 -5.427 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.670 9.192 -6.940 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.167 8.319 -5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.167 8.228 -6.940 1.00 0.00 H new ATOM 1289 N ARG A 103 13.568 2.943 -6.955 1.00 0.00 N ATOM 1290 CA ARG A 103 13.817 1.596 -6.401 1.00 0.00 C ATOM 1291 C ARG A 103 15.247 1.391 -5.883 1.00 0.00 C ATOM 1292 O ARG A 103 15.435 0.874 -4.783 1.00 0.00 O ATOM 1293 CB ARG A 103 13.508 0.505 -7.455 1.00 0.00 C ATOM 1294 CG ARG A 103 12.040 0.130 -7.748 1.00 0.00 C ATOM 1295 CD ARG A 103 11.025 0.406 -6.633 1.00 0.00 C ATOM 1296 NE ARG A 103 11.300 -0.407 -5.428 1.00 0.00 N ATOM 1297 CZ ARG A 103 10.739 -0.281 -4.237 1.00 0.00 C ATOM 1298 NH1 ARG A 103 9.844 0.632 -3.985 1.00 0.00 N ATOM 1299 NH2 ARG A 103 11.072 -1.082 -3.267 1.00 0.00 N ATOM 0 H ARG A 103 13.114 2.921 -7.868 1.00 0.00 H new ATOM 0 HA ARG A 103 13.146 1.509 -5.546 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.959 0.822 -8.396 1.00 0.00 H new ATOM 0 HB3 ARG A 103 14.023 -0.405 -7.145 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.722 0.670 -8.640 1.00 0.00 H new ATOM 0 HG3 ARG A 103 12.001 -0.932 -7.988 1.00 0.00 H new ATOM 0 HD2 ARG A 103 11.050 1.464 -6.372 1.00 0.00 H new ATOM 0 HD3 ARG A 103 10.020 0.191 -6.995 1.00 0.00 H new ATOM 0 HE ARG A 103 11.998 -1.144 -5.526 1.00 0.00 H new ATOM 0 HH11 ARG A 103 9.555 1.279 -4.719 1.00 0.00 H new ATOM 0 HH12 ARG A 103 9.433 0.700 -3.054 1.00 0.00 H new ATOM 0 HH21 ARG A 103 11.768 -1.811 -3.424 1.00 0.00 H new ATOM 0 HH22 ARG A 103 10.637 -0.981 -2.350 1.00 0.00 H new ATOM 1313 N LYS A 104 16.246 1.824 -6.662 1.00 0.00 N ATOM 1314 CA LYS A 104 17.675 1.773 -6.319 1.00 0.00 C ATOM 1315 C LYS A 104 18.219 2.991 -5.550 1.00 0.00 C ATOM 1316 O LYS A 104 19.301 2.901 -4.975 1.00 0.00 O ATOM 1317 CB LYS A 104 18.497 1.407 -7.573 1.00 0.00 C ATOM 1318 CG LYS A 104 18.094 2.039 -8.917 1.00 0.00 C ATOM 1319 CD LYS A 104 17.939 3.568 -8.922 1.00 0.00 C ATOM 1320 CE LYS A 104 19.154 4.385 -8.451 1.00 0.00 C ATOM 1321 NZ LYS A 104 20.332 4.238 -9.358 1.00 0.00 N ATOM 0 H LYS A 104 16.077 2.234 -7.581 1.00 0.00 H new ATOM 0 HA LYS A 104 17.791 0.979 -5.582 1.00 0.00 H new ATOM 0 HB2 LYS A 104 19.536 1.672 -7.379 1.00 0.00 H new ATOM 0 HB3 LYS A 104 18.461 0.324 -7.690 1.00 0.00 H new ATOM 0 HG2 LYS A 104 18.841 1.767 -9.663 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.150 1.597 -9.235 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.690 3.882 -9.936 1.00 0.00 H new ATOM 0 HD3 LYS A 104 17.089 3.826 -8.290 1.00 0.00 H new ATOM 0 HE2 LYS A 104 18.877 5.437 -8.389 1.00 0.00 H new ATOM 0 HE3 LYS A 104 19.432 4.068 -7.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 21.123 4.808 -8.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 20.616 3.238 -9.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 20.078 4.565 -10.312 1.00 0.00 H new ATOM 1335 N ASN A 105 17.507 4.125 -5.533 1.00 0.00 N ATOM 1336 CA ASN A 105 17.876 5.300 -4.734 1.00 0.00 C ATOM 1337 C ASN A 105 17.369 5.171 -3.289 1.00 0.00 C ATOM 1338 O ASN A 105 18.126 5.376 -2.339 1.00 0.00 O ATOM 1339 CB ASN A 105 17.349 6.563 -5.408 1.00 0.00 C ATOM 1340 CG ASN A 105 18.127 7.727 -4.847 1.00 0.00 C ATOM 1341 OD1 ASN A 105 17.734 8.377 -3.894 1.00 0.00 O ATOM 1342 ND2 ASN A 105 19.307 7.945 -5.375 1.00 0.00 N ATOM 0 H ASN A 105 16.654 4.254 -6.077 1.00 0.00 H new ATOM 0 HA ASN A 105 18.963 5.366 -4.680 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.474 6.502 -6.489 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.283 6.685 -5.216 1.00 0.00 H new ATOM 0 HD21 ASN A 105 19.913 8.669 -4.988 1.00 0.00 H new ATOM 0 HD22 ASN A 105 19.619 7.391 -6.173 1.00 0.00 H new ATOM 1349 N LEU A 106 16.092 4.796 -3.145 1.00 0.00 N ATOM 1350 CA LEU A 106 15.446 4.489 -1.866 1.00 0.00 C ATOM 1351 C LEU A 106 14.452 3.309 -1.915 1.00 0.00 C ATOM 1352 O LEU A 106 13.562 3.250 -2.763 1.00 0.00 O ATOM 1353 CB LEU A 106 14.824 5.767 -1.269 1.00 0.00 C ATOM 1354 CG LEU A 106 13.560 6.376 -1.917 1.00 0.00 C ATOM 1355 CD1 LEU A 106 12.988 7.447 -0.985 1.00 0.00 C ATOM 1356 CD2 LEU A 106 13.847 7.039 -3.262 1.00 0.00 C ATOM 0 H LEU A 106 15.462 4.695 -3.941 1.00 0.00 H new ATOM 0 HA LEU A 106 16.230 4.135 -1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.587 5.558 -0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 106 15.595 6.537 -1.272 1.00 0.00 H new ATOM 0 HG LEU A 106 12.860 5.557 -2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.096 7.882 -1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.728 6.995 -0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.732 8.228 -0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.923 7.449 -3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.571 7.842 -3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 106 14.252 6.300 -3.953 1.00 0.00 H new