USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=17 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 72 HIS : no HD1:sc= 1.26 K(o=1.3,f=-4.9!) USER MOD Set 1.2: A 93 LYS NZ :NH3+ -175:sc= 0.00205 (180deg=0) USER MOD Set 2.1: A 73 MET CE :methyl 162:sc= 0 (180deg=-0.457) USER MOD Set 2.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 68 GLN : amide:sc= 0.943 K(o=0.8,f=-0.13) USER MOD Set 3.2: A 69 GLN :FLIP amide:sc= -0.138 F(o=0.2,f=0.8) USER MOD Set 4.1: A 59 TYR OH : rot -37:sc= 1.63 USER MOD Set 4.2: A 63 LYS NZ :NH3+ 150:sc= 1 (180deg=0.108) USER MOD Single : A 26 GLN : amide:sc= -0.41 X(o=-0.41,f=-0.66) 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= 0.412 K(o=0.41,f=-2.7!) USER MOD Single : A 43 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.2) USER MOD Single : A 46 MET CE :methyl 172:sc= 0 (180deg=-0.0885) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0153 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -170:sc=-0.00725 (180deg=-0.154) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 1.12 K(o=1.1,f=-0.3) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc=-0.00725 X(o=-0.0072,f=-0.0099) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 1.32 K(o=1.3,f=-0.09) USER MOD Single : A 76 CYS SG : rot 170:sc= -0.266 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 180:sc= 0.271 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot -75:sc= 0.264 USER MOD Single : A 101 MET CE :methyl -168:sc= -0.48 (180deg=-0.821) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -1.12 K(o=-1.1,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 51 N GLN A 26 9.865 7.618 7.927 1.00 0.00 N ATOM 52 CA GLN A 26 10.347 7.273 6.582 1.00 0.00 C ATOM 53 C GLN A 26 11.789 7.777 6.315 1.00 0.00 C ATOM 54 O GLN A 26 12.440 8.323 7.206 1.00 0.00 O ATOM 55 CB GLN A 26 9.308 7.627 5.510 1.00 0.00 C ATOM 56 CG GLN A 26 9.213 6.481 4.481 1.00 0.00 C ATOM 57 CD GLN A 26 8.628 5.177 5.050 1.00 0.00 C ATOM 58 OE1 GLN A 26 7.490 5.104 5.488 1.00 0.00 O ATOM 59 NE2 GLN A 26 9.382 4.094 5.061 1.00 0.00 N ATOM 0 HA GLN A 26 10.450 6.190 6.521 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.336 7.795 5.973 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.587 8.555 5.011 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.597 6.809 3.643 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.208 6.278 4.085 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.335 4.133 4.700 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.012 3.218 5.430 1.00 0.00 H new ATOM 68 N VAL A 27 12.314 7.529 5.110 1.00 0.00 N ATOM 69 CA VAL A 27 13.737 7.672 4.727 1.00 0.00 C ATOM 70 C VAL A 27 14.078 8.869 3.831 1.00 0.00 C ATOM 71 O VAL A 27 13.234 9.391 3.103 1.00 0.00 O ATOM 72 CB VAL A 27 14.176 6.332 4.082 1.00 0.00 C ATOM 73 CG1 VAL A 27 15.624 6.266 3.577 1.00 0.00 C ATOM 74 CG2 VAL A 27 14.030 5.170 5.082 1.00 0.00 C ATOM 0 H VAL A 27 11.737 7.207 4.333 1.00 0.00 H new ATOM 0 HA VAL A 27 14.296 7.893 5.636 1.00 0.00 H new ATOM 0 HB VAL A 27 13.514 6.254 3.220 1.00 0.00 H new ATOM 0 HG11 VAL A 27 15.815 5.283 3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 27 15.779 7.031 2.816 1.00 0.00 H new ATOM 0 HG13 VAL A 27 16.308 6.437 4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.344 4.240 4.608 1.00 0.00 H new ATOM 0 HG22 VAL A 27 14.654 5.361 5.955 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.988 5.086 5.392 1.00 0.00 H new ATOM 84 N ARG A 28 15.352 9.290 3.893 1.00 0.00 N ATOM 85 CA ARG A 28 15.960 10.343 3.066 1.00 0.00 C ATOM 86 C ARG A 28 16.543 9.800 1.741 1.00 0.00 C ATOM 87 O ARG A 28 17.306 8.832 1.781 1.00 0.00 O ATOM 88 CB ARG A 28 17.002 11.091 3.925 1.00 0.00 C ATOM 89 CG ARG A 28 17.668 12.279 3.209 1.00 0.00 C ATOM 90 CD ARG A 28 18.435 13.196 4.170 1.00 0.00 C ATOM 91 NE ARG A 28 19.674 12.590 4.691 1.00 0.00 N ATOM 92 CZ ARG A 28 20.553 13.197 5.470 1.00 0.00 C ATOM 93 NH1 ARG A 28 20.417 14.439 5.842 1.00 0.00 N ATOM 94 NH2 ARG A 28 21.605 12.557 5.898 1.00 0.00 N ATOM 0 H ARG A 28 16.017 8.886 4.553 1.00 0.00 H new ATOM 0 HA ARG A 28 15.189 11.046 2.750 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.518 11.452 4.832 1.00 0.00 H new ATOM 0 HB3 ARG A 28 17.775 10.387 4.235 1.00 0.00 H new ATOM 0 HG2 ARG A 28 18.353 11.902 2.449 1.00 0.00 H new ATOM 0 HG3 ARG A 28 16.905 12.860 2.691 1.00 0.00 H new ATOM 0 HD2 ARG A 28 18.682 14.125 3.656 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.787 13.457 5.007 1.00 0.00 H new ATOM 0 HE ARG A 28 19.869 11.624 4.429 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.609 14.979 5.531 1.00 0.00 H new ATOM 0 HH12 ARG A 28 21.118 14.871 6.444 1.00 0.00 H new ATOM 0 HH21 ARG A 28 21.753 11.583 5.632 1.00 0.00 H new ATOM 0 HH22 ARG A 28 22.280 13.030 6.499 1.00 0.00 H new ATOM 108 N PRO A 29 16.233 10.413 0.577 1.00 0.00 N ATOM 109 CA PRO A 29 16.857 10.094 -0.714 1.00 0.00 C ATOM 110 C PRO A 29 18.373 10.371 -0.745 1.00 0.00 C ATOM 111 O PRO A 29 18.906 11.067 0.122 1.00 0.00 O ATOM 112 CB PRO A 29 16.156 10.992 -1.749 1.00 0.00 C ATOM 113 CG PRO A 29 14.893 11.507 -1.070 1.00 0.00 C ATOM 114 CD PRO A 29 15.235 11.458 0.411 1.00 0.00 C ATOM 0 HA PRO A 29 16.745 9.029 -0.916 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.801 11.817 -2.051 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.913 10.431 -2.652 1.00 0.00 H new ATOM 0 HG2 PRO A 29 14.650 12.520 -1.392 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.030 10.883 -1.303 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.621 12.419 0.751 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.347 11.243 1.006 1.00 0.00 H new ATOM 122 N LYS A 30 19.065 9.900 -1.795 1.00 0.00 N ATOM 123 CA LYS A 30 20.464 10.301 -2.059 1.00 0.00 C ATOM 124 C LYS A 30 20.525 11.795 -2.408 1.00 0.00 C ATOM 125 O LYS A 30 19.536 12.361 -2.872 1.00 0.00 O ATOM 126 CB LYS A 30 21.102 9.431 -3.167 1.00 0.00 C ATOM 127 CG LYS A 30 22.546 9.026 -2.818 1.00 0.00 C ATOM 128 CD LYS A 30 23.417 8.740 -4.052 1.00 0.00 C ATOM 129 CE LYS A 30 24.845 8.382 -3.612 1.00 0.00 C ATOM 130 NZ LYS A 30 25.733 8.089 -4.773 1.00 0.00 N ATOM 0 H LYS A 30 18.683 9.243 -2.475 1.00 0.00 H new ATOM 0 HA LYS A 30 21.048 10.136 -1.154 1.00 0.00 H new ATOM 0 HB2 LYS A 30 20.500 8.535 -3.317 1.00 0.00 H new ATOM 0 HB3 LYS A 30 21.096 9.980 -4.108 1.00 0.00 H new ATOM 0 HG2 LYS A 30 23.007 9.822 -2.234 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.523 8.139 -2.185 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.988 7.920 -4.628 1.00 0.00 H new ATOM 0 HD3 LYS A 30 23.436 9.613 -4.705 1.00 0.00 H new ATOM 0 HE2 LYS A 30 25.264 9.207 -3.035 1.00 0.00 H new ATOM 0 HE3 LYS A 30 24.814 7.515 -2.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 26.686 7.853 -4.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 25.349 7.285 -5.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 25.785 8.925 -5.390 1.00 0.00 H new ATOM 144 N LEU A 31 21.692 12.418 -2.269 1.00 0.00 N ATOM 145 CA LEU A 31 21.886 13.865 -2.495 1.00 0.00 C ATOM 146 C LEU A 31 21.350 14.382 -3.854 1.00 0.00 C ATOM 147 O LEU A 31 20.583 15.346 -3.833 1.00 0.00 O ATOM 148 CB LEU A 31 23.367 14.244 -2.275 1.00 0.00 C ATOM 149 CG LEU A 31 23.902 14.032 -0.843 1.00 0.00 C ATOM 150 CD1 LEU A 31 25.380 14.420 -0.788 1.00 0.00 C ATOM 151 CD2 LEU A 31 23.153 14.863 0.201 1.00 0.00 C ATOM 0 H LEU A 31 22.547 11.934 -1.993 1.00 0.00 H new ATOM 0 HA LEU A 31 21.272 14.376 -1.753 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.979 13.661 -2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.499 15.293 -2.542 1.00 0.00 H new ATOM 0 HG LEU A 31 23.755 12.978 -0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 31 25.758 14.270 0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 31 25.945 13.799 -1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 31 25.492 15.468 -1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 31 23.574 14.672 1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 31 23.253 15.922 -0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 31 22.098 14.588 0.197 1.00 0.00 H new ATOM 163 N PRO A 32 21.638 13.756 -5.020 1.00 0.00 N ATOM 164 CA PRO A 32 21.077 14.198 -6.305 1.00 0.00 C ATOM 165 C PRO A 32 19.552 14.036 -6.409 1.00 0.00 C ATOM 166 O PRO A 32 18.899 14.859 -7.050 1.00 0.00 O ATOM 167 CB PRO A 32 21.798 13.380 -7.383 1.00 0.00 C ATOM 168 CG PRO A 32 22.311 12.149 -6.638 1.00 0.00 C ATOM 169 CD PRO A 32 22.624 12.706 -5.254 1.00 0.00 C ATOM 0 HA PRO A 32 21.237 15.270 -6.423 1.00 0.00 H new ATOM 0 HB2 PRO A 32 21.122 13.103 -8.192 1.00 0.00 H new ATOM 0 HB3 PRO A 32 22.616 13.944 -7.831 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.562 11.358 -6.597 1.00 0.00 H new ATOM 0 HG3 PRO A 32 23.195 11.726 -7.114 1.00 0.00 H new ATOM 0 HD2 PRO A 32 22.555 11.928 -4.494 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.638 13.104 -5.212 1.00 0.00 H new ATOM 177 N LEU A 33 18.966 13.024 -5.750 1.00 0.00 N ATOM 178 CA LEU A 33 17.506 12.858 -5.691 1.00 0.00 C ATOM 179 C LEU A 33 16.885 13.978 -4.848 1.00 0.00 C ATOM 180 O LEU A 33 15.955 14.651 -5.286 1.00 0.00 O ATOM 181 CB LEU A 33 17.107 11.476 -5.119 1.00 0.00 C ATOM 182 CG LEU A 33 17.154 10.299 -6.098 1.00 0.00 C ATOM 183 CD1 LEU A 33 18.583 9.825 -6.350 1.00 0.00 C ATOM 184 CD2 LEU A 33 16.351 9.131 -5.525 1.00 0.00 C ATOM 0 H LEU A 33 19.486 12.304 -5.248 1.00 0.00 H new ATOM 0 HA LEU A 33 17.123 12.915 -6.710 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.765 11.250 -4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.095 11.550 -4.720 1.00 0.00 H new ATOM 0 HG LEU A 33 16.731 10.640 -7.043 1.00 0.00 H new ATOM 0 HD11 LEU A 33 18.571 8.989 -7.050 1.00 0.00 H new ATOM 0 HD12 LEU A 33 19.169 10.642 -6.771 1.00 0.00 H new ATOM 0 HD13 LEU A 33 19.031 9.504 -5.410 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.383 8.292 -6.220 1.00 0.00 H new ATOM 0 HD22 LEU A 33 16.781 8.828 -4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 33 15.316 9.439 -5.376 1.00 0.00 H new ATOM 196 N LEU A 34 17.434 14.219 -3.655 1.00 0.00 N ATOM 197 CA LEU A 34 16.954 15.255 -2.739 1.00 0.00 C ATOM 198 C LEU A 34 17.069 16.659 -3.358 1.00 0.00 C ATOM 199 O LEU A 34 16.174 17.474 -3.155 1.00 0.00 O ATOM 200 CB LEU A 34 17.739 15.117 -1.420 1.00 0.00 C ATOM 201 CG LEU A 34 17.257 16.021 -0.270 1.00 0.00 C ATOM 202 CD1 LEU A 34 15.817 15.706 0.145 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.158 15.803 0.945 1.00 0.00 C ATOM 0 H LEU A 34 18.232 13.695 -3.295 1.00 0.00 H new ATOM 0 HA LEU A 34 15.891 15.121 -2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.685 14.079 -1.091 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.789 15.335 -1.616 1.00 0.00 H new ATOM 0 HG LEU A 34 17.299 17.052 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.520 16.368 0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.152 15.856 -0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.753 14.670 0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.824 16.439 1.765 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.107 14.759 1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.186 16.055 0.686 1.00 0.00 H new ATOM 215 N LYS A 35 18.094 16.926 -4.182 1.00 0.00 N ATOM 216 CA LYS A 35 18.264 18.199 -4.904 1.00 0.00 C ATOM 217 C LYS A 35 17.079 18.566 -5.807 1.00 0.00 C ATOM 218 O LYS A 35 16.618 19.699 -5.751 1.00 0.00 O ATOM 219 CB LYS A 35 19.584 18.161 -5.705 1.00 0.00 C ATOM 220 CG LYS A 35 20.270 19.534 -5.724 1.00 0.00 C ATOM 221 CD LYS A 35 20.965 19.834 -4.380 1.00 0.00 C ATOM 222 CE LYS A 35 22.344 19.168 -4.223 1.00 0.00 C ATOM 223 NZ LYS A 35 23.397 19.830 -5.047 1.00 0.00 N ATOM 0 H LYS A 35 18.839 16.255 -4.369 1.00 0.00 H new ATOM 0 HA LYS A 35 18.304 18.989 -4.154 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.256 17.423 -5.266 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.382 17.840 -6.727 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.004 19.565 -6.530 1.00 0.00 H new ATOM 0 HG3 LYS A 35 19.532 20.308 -5.935 1.00 0.00 H new ATOM 0 HD2 LYS A 35 21.081 20.913 -4.276 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.319 19.503 -3.567 1.00 0.00 H new ATOM 0 HE2 LYS A 35 22.639 19.194 -3.174 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.271 18.118 -4.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 24.305 19.344 -4.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.132 19.783 -6.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.488 20.825 -4.759 1.00 0.00 H new ATOM 237 N ILE A 36 16.541 17.615 -6.576 1.00 0.00 N ATOM 238 CA ILE A 36 15.340 17.784 -7.425 1.00 0.00 C ATOM 239 C ILE A 36 14.132 18.176 -6.546 1.00 0.00 C ATOM 240 O ILE A 36 13.441 19.154 -6.819 1.00 0.00 O ATOM 241 CB ILE A 36 15.074 16.476 -8.195 1.00 0.00 C ATOM 242 CG1 ILE A 36 16.235 16.215 -9.179 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.747 16.543 -8.975 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.395 14.738 -9.526 1.00 0.00 C ATOM 0 H ILE A 36 16.935 16.676 -6.632 1.00 0.00 H new ATOM 0 HA ILE A 36 15.502 18.583 -8.149 1.00 0.00 H new ATOM 0 HB ILE A 36 15.003 15.664 -7.472 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.064 16.782 -10.094 1.00 0.00 H new ATOM 0 HG13 ILE A 36 17.164 16.584 -8.744 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.590 15.605 -9.507 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.924 16.708 -8.280 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.787 17.364 -9.691 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.226 14.615 -10.221 1.00 0.00 H new ATOM 0 HD12 ILE A 36 16.595 14.170 -8.617 1.00 0.00 H new ATOM 0 HD13 ILE A 36 15.478 14.371 -9.988 1.00 0.00 H new ATOM 256 N LEU A 37 13.909 17.449 -5.441 1.00 0.00 N ATOM 257 CA LEU A 37 12.793 17.640 -4.508 1.00 0.00 C ATOM 258 C LEU A 37 12.881 18.998 -3.793 1.00 0.00 C ATOM 259 O LEU A 37 11.896 19.725 -3.691 1.00 0.00 O ATOM 260 CB LEU A 37 12.841 16.468 -3.503 1.00 0.00 C ATOM 261 CG LEU A 37 12.306 15.109 -3.995 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.486 14.740 -5.468 1.00 0.00 C ATOM 263 CD2 LEU A 37 12.892 13.984 -3.143 1.00 0.00 C ATOM 0 H LEU A 37 14.525 16.684 -5.164 1.00 0.00 H new ATOM 0 HA LEU A 37 11.844 17.646 -5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.876 16.332 -3.189 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.274 16.756 -2.618 1.00 0.00 H new ATOM 0 HG LEU A 37 11.228 15.231 -3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.056 13.755 -5.652 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.982 15.478 -6.092 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.548 14.724 -5.712 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.511 13.025 -3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.979 13.994 -3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.605 14.129 -2.102 1.00 0.00 H new ATOM 275 N HIS A 38 14.077 19.377 -3.345 1.00 0.00 N ATOM 276 CA HIS A 38 14.355 20.656 -2.685 1.00 0.00 C ATOM 277 C HIS A 38 14.275 21.835 -3.654 1.00 0.00 C ATOM 278 O HIS A 38 13.661 22.842 -3.308 1.00 0.00 O ATOM 279 CB HIS A 38 15.709 20.559 -1.962 1.00 0.00 C ATOM 280 CG HIS A 38 15.609 19.926 -0.588 1.00 0.00 C ATOM 281 ND1 HIS A 38 16.509 20.123 0.466 1.00 0.00 N ATOM 282 CD2 HIS A 38 14.565 19.173 -0.130 1.00 0.00 C ATOM 283 CE1 HIS A 38 15.980 19.488 1.529 1.00 0.00 C ATOM 284 NE2 HIS A 38 14.808 18.917 1.202 1.00 0.00 N ATOM 0 H HIS A 38 14.904 18.787 -3.433 1.00 0.00 H new ATOM 0 HA HIS A 38 13.583 20.855 -1.942 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.399 19.977 -2.573 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.134 21.558 -1.865 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.712 18.841 -0.703 1.00 0.00 H new ATOM 0 HE1 HIS A 38 16.434 19.444 2.508 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.204 18.387 1.830 1.00 0.00 H new ATOM 292 N ALA A 39 14.741 21.677 -4.898 1.00 0.00 N ATOM 293 CA ALA A 39 14.572 22.669 -5.961 1.00 0.00 C ATOM 294 C ALA A 39 13.092 22.926 -6.299 1.00 0.00 C ATOM 295 O ALA A 39 12.757 23.991 -6.823 1.00 0.00 O ATOM 296 CB ALA A 39 15.384 22.222 -7.178 1.00 0.00 C ATOM 0 H ALA A 39 15.252 20.846 -5.196 1.00 0.00 H new ATOM 0 HA ALA A 39 14.949 23.631 -5.615 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.269 22.951 -7.980 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.437 22.146 -6.905 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.026 21.250 -7.517 1.00 0.00 H new ATOM 302 N ALA A 40 12.204 21.989 -5.943 1.00 0.00 N ATOM 303 CA ALA A 40 10.763 22.185 -5.997 1.00 0.00 C ATOM 304 C ALA A 40 10.170 22.828 -4.726 1.00 0.00 C ATOM 305 O ALA A 40 9.101 23.434 -4.811 1.00 0.00 O ATOM 306 CB ALA A 40 10.092 20.840 -6.282 1.00 0.00 C ATOM 0 H ALA A 40 12.477 21.065 -5.607 1.00 0.00 H new ATOM 0 HA ALA A 40 10.564 22.895 -6.799 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.011 20.974 -6.325 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.447 20.451 -7.236 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.339 20.135 -5.488 1.00 0.00 H new ATOM 312 N GLY A 41 10.816 22.679 -3.560 1.00 0.00 N ATOM 313 CA GLY A 41 10.286 23.076 -2.250 1.00 0.00 C ATOM 314 C GLY A 41 9.571 21.925 -1.528 1.00 0.00 C ATOM 315 O GLY A 41 8.341 21.913 -1.433 1.00 0.00 O ATOM 0 H GLY A 41 11.747 22.267 -3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.103 23.439 -1.627 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.591 23.906 -2.380 1.00 0.00 H new ATOM 319 N ALA A 42 10.344 20.955 -1.027 1.00 0.00 N ATOM 320 CA ALA A 42 9.851 19.840 -0.210 1.00 0.00 C ATOM 321 C ALA A 42 9.556 20.246 1.251 1.00 0.00 C ATOM 322 O ALA A 42 10.028 21.280 1.733 1.00 0.00 O ATOM 323 CB ALA A 42 10.845 18.678 -0.294 1.00 0.00 C ATOM 0 H ALA A 42 11.352 20.922 -1.182 1.00 0.00 H new ATOM 0 HA ALA A 42 8.890 19.521 -0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.484 17.846 0.311 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.942 18.357 -1.331 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.817 19.003 0.078 1.00 0.00 H new ATOM 329 N GLN A 43 8.804 19.405 1.973 1.00 0.00 N ATOM 330 CA GLN A 43 8.339 19.658 3.350 1.00 0.00 C ATOM 331 C GLN A 43 9.200 18.960 4.429 1.00 0.00 C ATOM 332 O GLN A 43 8.739 18.674 5.536 1.00 0.00 O ATOM 333 CB GLN A 43 6.830 19.347 3.418 1.00 0.00 C ATOM 334 CG GLN A 43 6.061 19.986 4.589 1.00 0.00 C ATOM 335 CD GLN A 43 6.213 21.506 4.661 1.00 0.00 C ATOM 336 OE1 GLN A 43 5.634 22.258 3.887 1.00 0.00 O ATOM 337 NE2 GLN A 43 7.007 22.023 5.579 1.00 0.00 N ATOM 0 H GLN A 43 8.492 18.505 1.609 1.00 0.00 H new ATOM 0 HA GLN A 43 8.475 20.711 3.595 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.370 19.674 2.486 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.704 18.266 3.474 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.003 19.738 4.497 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.410 19.549 5.524 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.497 21.412 6.232 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.131 23.034 5.636 1.00 0.00 H new ATOM 346 N GLY A 44 10.461 18.669 4.100 1.00 0.00 N ATOM 347 CA GLY A 44 11.401 17.936 4.956 1.00 0.00 C ATOM 348 C GLY A 44 12.563 17.300 4.191 1.00 0.00 C ATOM 349 O GLY A 44 12.897 17.705 3.075 1.00 0.00 O ATOM 0 H GLY A 44 10.869 18.944 3.206 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.802 18.617 5.707 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.859 17.156 5.490 1.00 0.00 H new ATOM 353 N GLU A 45 13.165 16.279 4.802 1.00 0.00 N ATOM 354 CA GLU A 45 14.198 15.422 4.194 1.00 0.00 C ATOM 355 C GLU A 45 13.844 13.921 4.200 1.00 0.00 C ATOM 356 O GLU A 45 14.471 13.158 3.474 1.00 0.00 O ATOM 357 CB GLU A 45 15.534 15.641 4.918 1.00 0.00 C ATOM 358 CG GLU A 45 16.179 17.003 4.643 1.00 0.00 C ATOM 359 CD GLU A 45 17.516 17.141 5.403 1.00 0.00 C ATOM 360 OE1 GLU A 45 18.438 16.314 5.191 1.00 0.00 O ATOM 361 OE2 GLU A 45 17.657 18.084 6.220 1.00 0.00 O ATOM 0 H GLU A 45 12.945 16.013 5.762 1.00 0.00 H new ATOM 0 HA GLU A 45 14.269 15.716 3.147 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.375 15.537 5.991 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.229 14.855 4.621 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.350 17.120 3.573 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.500 17.800 4.946 1.00 0.00 H new ATOM 368 N MET A 46 12.853 13.486 4.988 1.00 0.00 N ATOM 369 CA MET A 46 12.448 12.079 5.169 1.00 0.00 C ATOM 370 C MET A 46 11.007 11.892 4.667 1.00 0.00 C ATOM 371 O MET A 46 10.095 12.523 5.202 1.00 0.00 O ATOM 372 CB MET A 46 12.537 11.701 6.659 1.00 0.00 C ATOM 373 CG MET A 46 13.956 11.358 7.135 1.00 0.00 C ATOM 374 SD MET A 46 15.173 12.708 7.213 1.00 0.00 S ATOM 375 CE MET A 46 14.454 13.742 8.519 1.00 0.00 C ATOM 0 H MET A 46 12.286 14.128 5.541 1.00 0.00 H new ATOM 0 HA MET A 46 13.115 11.433 4.598 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.155 12.529 7.256 1.00 0.00 H new ATOM 0 HB3 MET A 46 11.886 10.847 6.846 1.00 0.00 H new ATOM 0 HG2 MET A 46 13.879 10.919 8.130 1.00 0.00 H new ATOM 0 HG3 MET A 46 14.353 10.586 6.476 1.00 0.00 H new ATOM 0 HE1 MET A 46 15.155 14.534 8.783 1.00 0.00 H new ATOM 0 HE2 MET A 46 13.524 14.184 8.162 1.00 0.00 H new ATOM 0 HE3 MET A 46 14.251 13.130 9.398 1.00 0.00 H new ATOM 385 N PHE A 47 10.791 11.037 3.659 1.00 0.00 N ATOM 386 CA PHE A 47 9.472 10.835 3.025 1.00 0.00 C ATOM 387 C PHE A 47 9.288 9.440 2.390 1.00 0.00 C ATOM 388 O PHE A 47 10.256 8.718 2.147 1.00 0.00 O ATOM 389 CB PHE A 47 9.190 11.923 1.964 1.00 0.00 C ATOM 390 CG PHE A 47 10.222 13.013 1.762 1.00 0.00 C ATOM 391 CD1 PHE A 47 11.518 12.676 1.333 1.00 0.00 C ATOM 392 CD2 PHE A 47 9.880 14.359 1.987 1.00 0.00 C ATOM 393 CE1 PHE A 47 12.461 13.691 1.123 1.00 0.00 C ATOM 394 CE2 PHE A 47 10.819 15.375 1.741 1.00 0.00 C ATOM 395 CZ PHE A 47 12.112 15.041 1.302 1.00 0.00 C ATOM 0 H PHE A 47 11.528 10.460 3.254 1.00 0.00 H new ATOM 0 HA PHE A 47 8.752 10.912 3.840 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.042 11.423 1.007 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.246 12.403 2.222 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.785 11.643 1.167 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.894 14.612 2.349 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.465 13.434 0.821 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.548 16.410 1.889 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.835 15.819 1.103 1.00 0.00 H new ATOM 405 N THR A 48 8.040 9.061 2.095 1.00 0.00 N ATOM 406 CA THR A 48 7.682 7.859 1.305 1.00 0.00 C ATOM 407 C THR A 48 7.829 8.087 -0.203 1.00 0.00 C ATOM 408 O THR A 48 7.915 9.223 -0.653 1.00 0.00 O ATOM 409 CB THR A 48 6.239 7.409 1.604 1.00 0.00 C ATOM 410 OG1 THR A 48 5.360 8.447 1.243 1.00 0.00 O ATOM 411 CG2 THR A 48 6.006 7.010 3.062 1.00 0.00 C ATOM 0 H THR A 48 7.224 9.590 2.403 1.00 0.00 H new ATOM 0 HA THR A 48 8.382 7.079 1.605 1.00 0.00 H new ATOM 0 HB THR A 48 6.052 6.510 1.016 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.437 8.173 1.427 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.968 6.705 3.194 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.664 6.180 3.322 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.220 7.860 3.710 1.00 0.00 H new ATOM 419 N VAL A 49 7.774 7.008 -1.001 1.00 0.00 N ATOM 420 CA VAL A 49 7.729 6.999 -2.484 1.00 0.00 C ATOM 421 C VAL A 49 6.656 7.962 -3.014 1.00 0.00 C ATOM 422 O VAL A 49 6.885 8.757 -3.928 1.00 0.00 O ATOM 423 CB VAL A 49 7.540 5.559 -3.006 1.00 0.00 C ATOM 424 CG1 VAL A 49 6.189 4.911 -2.694 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.799 5.454 -4.511 1.00 0.00 C ATOM 0 H VAL A 49 7.759 6.064 -0.614 1.00 0.00 H new ATOM 0 HA VAL A 49 8.684 7.361 -2.866 1.00 0.00 H new ATOM 0 HB VAL A 49 8.290 5.000 -2.446 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.165 3.902 -3.107 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.048 4.865 -1.614 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.390 5.504 -3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.654 4.423 -4.834 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.105 6.103 -5.046 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.822 5.761 -4.726 1.00 0.00 H new ATOM 435 N LYS A 50 5.511 7.940 -2.328 1.00 0.00 N ATOM 436 CA LYS A 50 4.318 8.735 -2.568 1.00 0.00 C ATOM 437 C LYS A 50 4.555 10.229 -2.344 1.00 0.00 C ATOM 438 O LYS A 50 4.143 11.060 -3.152 1.00 0.00 O ATOM 439 CB LYS A 50 3.239 8.233 -1.592 1.00 0.00 C ATOM 440 CG LYS A 50 3.014 6.712 -1.517 1.00 0.00 C ATOM 441 CD LYS A 50 1.885 6.379 -0.527 1.00 0.00 C ATOM 442 CE LYS A 50 2.012 4.931 -0.034 1.00 0.00 C ATOM 443 NZ LYS A 50 0.858 4.538 0.821 1.00 0.00 N ATOM 0 H LYS A 50 5.391 7.316 -1.530 1.00 0.00 H new ATOM 0 HA LYS A 50 4.016 8.621 -3.609 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.495 8.587 -0.593 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.293 8.702 -1.863 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.763 6.327 -2.505 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.935 6.218 -1.207 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.923 7.063 0.321 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.917 6.522 -1.008 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.076 4.259 -0.890 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.938 4.818 0.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.978 3.554 1.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.812 5.163 1.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.023 4.622 0.275 1.00 0.00 H new ATOM 457 N GLU A 51 5.251 10.567 -1.261 1.00 0.00 N ATOM 458 CA GLU A 51 5.619 11.946 -0.934 1.00 0.00 C ATOM 459 C GLU A 51 6.747 12.455 -1.842 1.00 0.00 C ATOM 460 O GLU A 51 6.636 13.554 -2.381 1.00 0.00 O ATOM 461 CB GLU A 51 6.016 12.032 0.543 1.00 0.00 C ATOM 462 CG GLU A 51 4.827 11.837 1.490 1.00 0.00 C ATOM 463 CD GLU A 51 5.284 11.820 2.964 1.00 0.00 C ATOM 464 OE1 GLU A 51 6.086 10.935 3.350 1.00 0.00 O ATOM 465 OE2 GLU A 51 4.822 12.691 3.744 1.00 0.00 O ATOM 0 H GLU A 51 5.580 9.885 -0.577 1.00 0.00 H new ATOM 0 HA GLU A 51 4.756 12.589 -1.107 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.772 11.276 0.756 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.473 13.003 0.736 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.104 12.639 1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.320 10.902 1.253 1.00 0.00 H new ATOM 472 N VAL A 52 7.793 11.654 -2.099 1.00 0.00 N ATOM 473 CA VAL A 52 8.903 12.062 -2.974 1.00 0.00 C ATOM 474 C VAL A 52 8.445 12.366 -4.396 1.00 0.00 C ATOM 475 O VAL A 52 8.780 13.415 -4.947 1.00 0.00 O ATOM 476 CB VAL A 52 10.076 11.072 -3.001 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.818 11.048 -1.664 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.815 9.643 -3.427 1.00 0.00 C ATOM 0 H VAL A 52 7.893 10.716 -1.711 1.00 0.00 H new ATOM 0 HA VAL A 52 9.273 12.982 -2.522 1.00 0.00 H new ATOM 0 HB VAL A 52 10.675 11.490 -3.811 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.642 10.337 -1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.210 12.042 -1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.131 10.748 -0.872 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.746 9.077 -3.391 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.088 9.189 -2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.423 9.632 -4.444 1.00 0.00 H new ATOM 488 N MET A 53 7.632 11.479 -4.971 1.00 0.00 N ATOM 489 CA MET A 53 7.061 11.699 -6.306 1.00 0.00 C ATOM 490 C MET A 53 6.103 12.905 -6.383 1.00 0.00 C ATOM 491 O MET A 53 6.001 13.514 -7.444 1.00 0.00 O ATOM 492 CB MET A 53 6.439 10.418 -6.882 1.00 0.00 C ATOM 493 CG MET A 53 5.052 10.084 -6.320 1.00 0.00 C ATOM 494 SD MET A 53 4.352 8.513 -6.893 1.00 0.00 S ATOM 495 CE MET A 53 4.190 8.830 -8.674 1.00 0.00 C ATOM 0 H MET A 53 7.352 10.600 -4.535 1.00 0.00 H new ATOM 0 HA MET A 53 7.903 11.965 -6.945 1.00 0.00 H new ATOM 0 HB2 MET A 53 6.365 10.519 -7.965 1.00 0.00 H new ATOM 0 HB3 MET A 53 7.110 9.582 -6.685 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.113 10.062 -5.232 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.366 10.888 -6.585 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.612 8.029 -9.135 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.680 9.781 -8.829 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.180 8.871 -9.128 1.00 0.00 H new ATOM 505 N HIS A 54 5.453 13.320 -5.288 1.00 0.00 N ATOM 506 CA HIS A 54 4.584 14.512 -5.291 1.00 0.00 C ATOM 507 C HIS A 54 5.372 15.794 -5.599 1.00 0.00 C ATOM 508 O HIS A 54 4.919 16.633 -6.382 1.00 0.00 O ATOM 509 CB HIS A 54 3.846 14.634 -3.952 1.00 0.00 C ATOM 510 CG HIS A 54 2.868 15.784 -3.921 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.584 15.775 -4.477 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.105 17.012 -3.374 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.078 17.001 -4.250 1.00 0.00 C ATOM 514 NE2 HIS A 54 1.969 17.762 -3.590 1.00 0.00 N ATOM 0 H HIS A 54 5.510 12.849 -4.385 1.00 0.00 H new ATOM 0 HA HIS A 54 3.851 14.387 -6.088 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.313 13.705 -3.751 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.575 14.762 -3.152 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.005 17.333 -2.871 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.095 17.328 -4.555 1.00 0.00 H new ATOM 0 HE2 HIS A 54 1.828 18.729 -3.299 1.00 0.00 H new ATOM 522 N TYR A 55 6.594 15.912 -5.066 1.00 0.00 N ATOM 523 CA TYR A 55 7.495 17.023 -5.387 1.00 0.00 C ATOM 524 C TYR A 55 7.962 17.008 -6.847 1.00 0.00 C ATOM 525 O TYR A 55 8.246 18.070 -7.388 1.00 0.00 O ATOM 526 CB TYR A 55 8.693 17.051 -4.430 1.00 0.00 C ATOM 527 CG TYR A 55 8.305 17.013 -2.965 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.460 18.003 -2.427 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.736 15.947 -2.157 1.00 0.00 C ATOM 530 CE1 TYR A 55 6.984 17.884 -1.106 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.299 15.847 -0.826 1.00 0.00 C ATOM 532 CZ TYR A 55 7.402 16.800 -0.302 1.00 0.00 C ATOM 533 OH TYR A 55 6.956 16.681 0.978 1.00 0.00 O ATOM 0 H TYR A 55 6.984 15.242 -4.403 1.00 0.00 H new ATOM 0 HA TYR A 55 6.919 17.939 -5.253 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.340 16.201 -4.647 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.276 17.952 -4.619 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.176 18.855 -3.028 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.406 15.202 -2.561 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.301 18.620 -0.709 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.651 15.038 -0.203 1.00 0.00 H new ATOM 0 HH TYR A 55 7.342 15.878 1.386 1.00 0.00 H new ATOM 543 N LEU A 56 8.012 15.852 -7.521 1.00 0.00 N ATOM 544 CA LEU A 56 8.303 15.804 -8.962 1.00 0.00 C ATOM 545 C LEU A 56 7.209 16.484 -9.785 1.00 0.00 C ATOM 546 O LEU A 56 7.527 17.253 -10.685 1.00 0.00 O ATOM 547 CB LEU A 56 8.486 14.365 -9.461 1.00 0.00 C ATOM 548 CG LEU A 56 9.550 13.559 -8.717 1.00 0.00 C ATOM 549 CD1 LEU A 56 9.607 12.151 -9.289 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.935 14.190 -8.831 1.00 0.00 C ATOM 0 H LEU A 56 7.855 14.939 -7.094 1.00 0.00 H new ATOM 0 HA LEU A 56 9.238 16.346 -9.099 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.532 13.843 -9.380 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.745 14.393 -10.519 1.00 0.00 H new ATOM 0 HG LEU A 56 9.271 13.542 -7.664 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.365 11.574 -8.760 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.636 11.670 -9.170 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.860 12.199 -10.348 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.658 13.582 -8.287 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.224 14.245 -9.880 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.913 15.194 -8.407 1.00 0.00 H new ATOM 562 N GLY A 57 5.934 16.266 -9.456 1.00 0.00 N ATOM 563 CA GLY A 57 4.827 16.907 -10.165 1.00 0.00 C ATOM 564 C GLY A 57 4.883 18.434 -10.076 1.00 0.00 C ATOM 565 O GLY A 57 4.880 19.121 -11.102 1.00 0.00 O ATOM 0 H GLY A 57 5.643 15.647 -8.699 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.847 16.606 -11.212 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.882 16.556 -9.751 1.00 0.00 H new ATOM 569 N GLN A 58 5.093 18.972 -8.866 1.00 0.00 N ATOM 570 CA GLN A 58 5.259 20.419 -8.682 1.00 0.00 C ATOM 571 C GLN A 58 6.565 20.929 -9.311 1.00 0.00 C ATOM 572 O GLN A 58 6.570 22.026 -9.866 1.00 0.00 O ATOM 573 CB GLN A 58 5.095 20.821 -7.201 1.00 0.00 C ATOM 574 CG GLN A 58 6.406 20.867 -6.394 1.00 0.00 C ATOM 575 CD GLN A 58 6.181 20.961 -4.880 1.00 0.00 C ATOM 576 OE1 GLN A 58 5.339 20.290 -4.300 1.00 0.00 O ATOM 577 NE2 GLN A 58 6.952 21.752 -4.167 1.00 0.00 N ATOM 0 H GLN A 58 5.152 18.429 -8.005 1.00 0.00 H new ATOM 0 HA GLN A 58 4.456 20.920 -9.223 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.623 21.802 -7.156 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.414 20.117 -6.722 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.991 19.974 -6.613 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.996 21.723 -6.721 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.662 22.322 -4.627 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.840 21.796 -3.154 1.00 0.00 H new ATOM 586 N TYR A 59 7.648 20.136 -9.284 1.00 0.00 N ATOM 587 CA TYR A 59 8.922 20.478 -9.916 1.00 0.00 C ATOM 588 C TYR A 59 8.743 20.628 -11.429 1.00 0.00 C ATOM 589 O TYR A 59 9.106 21.648 -11.995 1.00 0.00 O ATOM 590 CB TYR A 59 9.975 19.398 -9.641 1.00 0.00 C ATOM 591 CG TYR A 59 11.329 19.657 -10.265 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.578 19.212 -11.577 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.346 20.302 -9.534 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.866 19.321 -12.132 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.633 20.411 -10.087 1.00 0.00 C ATOM 596 CZ TYR A 59 13.904 19.891 -11.366 1.00 0.00 C ATOM 597 OH TYR A 59 15.161 20.008 -11.857 1.00 0.00 O ATOM 0 H TYR A 59 7.659 19.230 -8.816 1.00 0.00 H new ATOM 0 HA TYR A 59 9.261 21.423 -9.492 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.101 19.299 -8.563 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.599 18.443 -10.007 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.776 18.785 -12.161 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.138 20.710 -8.556 1.00 0.00 H new ATOM 0 HE1 TYR A 59 13.058 18.971 -13.136 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.419 20.897 -9.527 1.00 0.00 H new ATOM 0 HH TYR A 59 15.375 19.220 -12.399 1.00 0.00 H new ATOM 607 N ILE A 60 8.135 19.645 -12.097 1.00 0.00 N ATOM 608 CA ILE A 60 7.887 19.681 -13.545 1.00 0.00 C ATOM 609 C ILE A 60 6.974 20.859 -13.890 1.00 0.00 C ATOM 610 O ILE A 60 7.233 21.565 -14.862 1.00 0.00 O ATOM 611 CB ILE A 60 7.266 18.347 -14.004 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.225 17.155 -13.804 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.844 18.418 -15.480 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.429 15.861 -13.611 1.00 0.00 C ATOM 0 H ILE A 60 7.797 18.794 -11.647 1.00 0.00 H new ATOM 0 HA ILE A 60 8.832 19.817 -14.071 1.00 0.00 H new ATOM 0 HB ILE A 60 6.388 18.184 -13.380 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.883 17.060 -14.667 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.861 17.332 -12.936 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.409 17.465 -15.780 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.107 19.210 -15.610 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.717 18.629 -16.098 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.118 15.028 -13.471 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.789 15.955 -12.733 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.813 15.678 -14.491 1.00 0.00 H new ATOM 626 N MET A 61 5.946 21.112 -13.078 1.00 0.00 N ATOM 627 CA MET A 61 5.033 22.240 -13.258 1.00 0.00 C ATOM 628 C MET A 61 5.779 23.591 -13.187 1.00 0.00 C ATOM 629 O MET A 61 5.673 24.390 -14.119 1.00 0.00 O ATOM 630 CB MET A 61 3.893 22.088 -12.236 1.00 0.00 C ATOM 631 CG MET A 61 2.659 22.945 -12.538 1.00 0.00 C ATOM 632 SD MET A 61 2.852 24.737 -12.319 1.00 0.00 S ATOM 633 CE MET A 61 2.406 25.294 -13.988 1.00 0.00 C ATOM 0 H MET A 61 5.722 20.533 -12.269 1.00 0.00 H new ATOM 0 HA MET A 61 4.594 22.235 -14.256 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.593 21.041 -12.196 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.270 22.349 -11.247 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.355 22.757 -13.568 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.843 22.608 -11.898 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.470 26.381 -14.038 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.092 24.856 -14.713 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.388 24.979 -14.217 1.00 0.00 H new ATOM 643 N VAL A 62 6.614 23.820 -12.161 1.00 0.00 N ATOM 644 CA VAL A 62 7.395 25.069 -12.010 1.00 0.00 C ATOM 645 C VAL A 62 8.531 25.198 -13.031 1.00 0.00 C ATOM 646 O VAL A 62 8.766 26.286 -13.560 1.00 0.00 O ATOM 647 CB VAL A 62 7.889 25.244 -10.557 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.016 24.308 -10.116 1.00 0.00 C ATOM 649 CG2 VAL A 62 8.404 26.655 -10.301 1.00 0.00 C ATOM 0 H VAL A 62 6.770 23.148 -11.410 1.00 0.00 H new ATOM 0 HA VAL A 62 6.715 25.892 -12.230 1.00 0.00 H new ATOM 0 HB VAL A 62 6.994 25.006 -9.983 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.281 24.521 -9.080 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.684 23.273 -10.200 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.887 24.462 -10.753 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.742 26.737 -9.268 1.00 0.00 H new ATOM 0 HG22 VAL A 62 9.236 26.866 -10.973 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.603 27.373 -10.479 1.00 0.00 H new ATOM 659 N LYS A 63 9.202 24.087 -13.356 1.00 0.00 N ATOM 660 CA LYS A 63 10.235 23.994 -14.405 1.00 0.00 C ATOM 661 C LYS A 63 9.686 23.930 -15.843 1.00 0.00 C ATOM 662 O LYS A 63 10.480 24.062 -16.771 1.00 0.00 O ATOM 663 CB LYS A 63 11.131 22.772 -14.144 1.00 0.00 C ATOM 664 CG LYS A 63 11.949 22.816 -12.849 1.00 0.00 C ATOM 665 CD LYS A 63 12.924 23.995 -12.746 1.00 0.00 C ATOM 666 CE LYS A 63 13.895 23.763 -11.579 1.00 0.00 C ATOM 667 NZ LYS A 63 15.094 22.974 -11.997 1.00 0.00 N ATOM 0 H LYS A 63 9.039 23.198 -12.884 1.00 0.00 H new ATOM 0 HA LYS A 63 10.804 24.922 -14.342 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.504 21.881 -14.126 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.818 22.662 -14.983 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.263 22.855 -12.003 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.513 21.887 -12.760 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.479 24.103 -13.678 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.373 24.923 -12.594 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.215 24.724 -11.177 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.378 23.238 -10.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.911 23.249 -11.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.904 21.960 -11.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.303 23.164 -12.998 1.00 0.00 H new ATOM 681 N GLN A 64 8.374 23.725 -16.028 1.00 0.00 N ATOM 682 CA GLN A 64 7.622 23.425 -17.252 1.00 0.00 C ATOM 683 C GLN A 64 8.369 22.450 -18.168 1.00 0.00 C ATOM 684 O GLN A 64 8.693 22.754 -19.318 1.00 0.00 O ATOM 685 CB GLN A 64 7.016 24.672 -17.915 1.00 0.00 C ATOM 686 CG GLN A 64 8.066 25.739 -18.210 1.00 0.00 C ATOM 687 CD GLN A 64 8.090 26.862 -17.171 1.00 0.00 C ATOM 688 OE1 GLN A 64 7.122 27.584 -16.961 1.00 0.00 O ATOM 689 NE2 GLN A 64 9.192 27.059 -16.479 1.00 0.00 N ATOM 0 H GLN A 64 7.742 23.771 -15.229 1.00 0.00 H new ATOM 0 HA GLN A 64 6.731 22.867 -16.965 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.523 24.384 -18.844 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.249 25.091 -17.264 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.049 25.270 -18.252 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.874 26.167 -19.194 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.008 26.468 -16.640 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.230 27.803 -15.782 1.00 0.00 H new ATOM 698 N LEU A 65 8.634 21.251 -17.631 1.00 0.00 N ATOM 699 CA LEU A 65 9.313 20.172 -18.342 1.00 0.00 C ATOM 700 C LEU A 65 8.280 19.271 -19.027 1.00 0.00 C ATOM 701 O LEU A 65 8.411 18.058 -18.987 1.00 0.00 O ATOM 702 CB LEU A 65 10.292 19.383 -17.435 1.00 0.00 C ATOM 703 CG LEU A 65 11.403 20.180 -16.738 1.00 0.00 C ATOM 704 CD1 LEU A 65 12.321 19.233 -15.968 1.00 0.00 C ATOM 705 CD2 LEU A 65 12.256 21.001 -17.704 1.00 0.00 C ATOM 0 H LEU A 65 8.376 21.005 -16.675 1.00 0.00 H new ATOM 0 HA LEU A 65 9.941 20.614 -19.115 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.707 18.877 -16.667 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.762 18.608 -18.040 1.00 0.00 H new ATOM 0 HG LEU A 65 10.900 20.875 -16.066 1.00 0.00 H new ATOM 0 HD11 LEU A 65 13.106 19.807 -15.477 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.742 18.695 -15.218 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.771 18.520 -16.659 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.022 21.540 -17.146 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.732 20.336 -18.424 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.623 21.714 -18.232 1.00 0.00 H new ATOM 717 N TYR A 66 7.203 19.835 -19.576 1.00 0.00 N ATOM 718 CA TYR A 66 6.126 19.075 -20.223 1.00 0.00 C ATOM 719 C TYR A 66 5.769 19.588 -21.632 1.00 0.00 C ATOM 720 O TYR A 66 6.174 20.684 -22.028 1.00 0.00 O ATOM 721 CB TYR A 66 4.899 19.009 -19.309 1.00 0.00 C ATOM 722 CG TYR A 66 4.347 20.364 -18.934 1.00 0.00 C ATOM 723 CD1 TYR A 66 3.499 21.049 -19.817 1.00 0.00 C ATOM 724 CD2 TYR A 66 4.731 20.952 -17.722 1.00 0.00 C ATOM 725 CE1 TYR A 66 3.027 22.336 -19.496 1.00 0.00 C ATOM 726 CE2 TYR A 66 4.238 22.225 -17.373 1.00 0.00 C ATOM 727 CZ TYR A 66 3.389 22.924 -18.262 1.00 0.00 C ATOM 728 OH TYR A 66 2.941 24.165 -17.925 1.00 0.00 O ATOM 0 H TYR A 66 7.050 20.843 -19.585 1.00 0.00 H new ATOM 0 HA TYR A 66 6.501 18.063 -20.378 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.118 18.433 -19.805 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.163 18.470 -18.399 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.207 20.587 -20.748 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.403 20.431 -17.057 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.393 22.871 -20.188 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.509 22.667 -16.426 1.00 0.00 H new ATOM 0 HH TYR A 66 3.288 24.409 -17.042 1.00 0.00 H new ATOM 738 N ASP A 67 5.009 18.799 -22.401 1.00 0.00 N ATOM 739 CA ASP A 67 4.600 19.156 -23.768 1.00 0.00 C ATOM 740 C ASP A 67 3.415 20.142 -23.810 1.00 0.00 C ATOM 741 O ASP A 67 2.485 20.093 -23.004 1.00 0.00 O ATOM 742 CB ASP A 67 4.289 17.894 -24.591 1.00 0.00 C ATOM 743 CG ASP A 67 4.377 18.094 -26.122 1.00 0.00 C ATOM 744 OD1 ASP A 67 4.482 19.251 -26.601 1.00 0.00 O ATOM 745 OD2 ASP A 67 4.311 17.081 -26.856 1.00 0.00 O ATOM 0 H ASP A 67 4.658 17.892 -22.093 1.00 0.00 H new ATOM 0 HA ASP A 67 5.447 19.674 -24.217 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.982 17.105 -24.299 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.287 17.548 -24.339 1.00 0.00 H new ATOM 750 N GLN A 68 3.418 20.996 -24.829 1.00 0.00 N ATOM 751 CA GLN A 68 2.366 21.940 -25.204 1.00 0.00 C ATOM 752 C GLN A 68 1.097 21.194 -25.656 1.00 0.00 C ATOM 753 O GLN A 68 -0.025 21.606 -25.357 1.00 0.00 O ATOM 754 CB GLN A 68 2.859 22.803 -26.388 1.00 0.00 C ATOM 755 CG GLN A 68 4.338 23.244 -26.375 1.00 0.00 C ATOM 756 CD GLN A 68 5.073 22.893 -27.672 1.00 0.00 C ATOM 757 OE1 GLN A 68 5.494 23.758 -28.430 1.00 0.00 O ATOM 758 NE2 GLN A 68 5.269 21.625 -27.992 1.00 0.00 N ATOM 0 H GLN A 68 4.215 21.052 -25.463 1.00 0.00 H new ATOM 0 HA GLN A 68 2.135 22.558 -24.336 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.681 22.246 -27.308 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.240 23.699 -26.433 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.390 24.321 -26.213 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.846 22.770 -25.535 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.928 20.885 -27.378 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.761 21.386 -28.853 1.00 0.00 H new ATOM 767 N GLN A 69 1.289 20.073 -26.363 1.00 0.00 N ATOM 768 CA GLN A 69 0.204 19.225 -26.877 1.00 0.00 C ATOM 769 C GLN A 69 -0.417 18.324 -25.791 1.00 0.00 C ATOM 770 O GLN A 69 -1.622 18.069 -25.812 1.00 0.00 O ATOM 771 CB GLN A 69 0.715 18.364 -28.048 1.00 0.00 C ATOM 772 CG GLN A 69 0.710 19.083 -29.408 1.00 0.00 C ATOM 773 CD GLN A 69 1.618 20.308 -29.470 1.00 0.00 C ATOM 774 OE1 GLN A 69 2.921 20.134 -29.419 1.00 0.00 O flip ATOM 775 NE2 GLN A 69 1.174 21.446 -29.562 1.00 0.00 N flip ATOM 0 H GLN A 69 2.218 19.723 -26.598 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.584 19.894 -27.224 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.731 18.036 -27.827 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.099 17.468 -28.121 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.016 18.378 -30.181 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.310 19.388 -29.641 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.166 21.599 -29.603 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.812 22.241 -29.598 1.00 0.00 H new ATOM 784 N GLU A 70 0.395 17.845 -24.841 1.00 0.00 N ATOM 785 CA GLU A 70 0.004 16.898 -23.786 1.00 0.00 C ATOM 786 C GLU A 70 0.691 17.256 -22.457 1.00 0.00 C ATOM 787 O GLU A 70 1.840 16.896 -22.217 1.00 0.00 O ATOM 788 CB GLU A 70 0.362 15.460 -24.211 1.00 0.00 C ATOM 789 CG GLU A 70 -0.577 14.900 -25.288 1.00 0.00 C ATOM 790 CD GLU A 70 -0.343 13.392 -25.499 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.953 12.576 -24.764 1.00 0.00 O ATOM 792 OE2 GLU A 70 0.437 13.011 -26.407 1.00 0.00 O ATOM 0 H GLU A 70 1.377 18.115 -24.782 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.074 16.962 -23.639 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.386 15.442 -24.585 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.331 14.810 -23.336 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.613 15.073 -24.997 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.416 15.431 -26.226 1.00 0.00 H new ATOM 799 N GLN A 71 -0.013 17.959 -21.567 1.00 0.00 N ATOM 800 CA GLN A 71 0.543 18.451 -20.299 1.00 0.00 C ATOM 801 C GLN A 71 0.969 17.324 -19.342 1.00 0.00 C ATOM 802 O GLN A 71 1.930 17.466 -18.590 1.00 0.00 O ATOM 803 CB GLN A 71 -0.521 19.332 -19.637 1.00 0.00 C ATOM 804 CG GLN A 71 -0.538 20.777 -20.163 1.00 0.00 C ATOM 805 CD GLN A 71 -1.049 20.943 -21.595 1.00 0.00 C ATOM 806 OE1 GLN A 71 -2.221 21.201 -21.837 1.00 0.00 O ATOM 807 NE2 GLN A 71 -0.212 20.814 -22.602 1.00 0.00 N ATOM 0 H GLN A 71 -0.993 18.206 -21.705 1.00 0.00 H new ATOM 0 HA GLN A 71 1.451 19.013 -20.517 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.502 18.885 -19.797 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.349 19.348 -18.561 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.159 21.380 -19.501 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.473 21.179 -20.106 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.769 20.599 -22.425 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.544 20.929 -23.559 1.00 0.00 H new ATOM 816 N HIS A 72 0.277 16.184 -19.393 1.00 0.00 N ATOM 817 CA HIS A 72 0.603 14.942 -18.692 1.00 0.00 C ATOM 818 C HIS A 72 1.788 14.163 -19.312 1.00 0.00 C ATOM 819 O HIS A 72 2.195 13.145 -18.752 1.00 0.00 O ATOM 820 CB HIS A 72 -0.694 14.111 -18.659 1.00 0.00 C ATOM 821 CG HIS A 72 -1.298 13.934 -20.023 1.00 0.00 C ATOM 822 ND1 HIS A 72 -2.109 14.868 -20.666 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.969 12.945 -20.896 1.00 0.00 C ATOM 824 CE1 HIS A 72 -2.252 14.425 -21.923 1.00 0.00 C ATOM 825 NE2 HIS A 72 -1.584 13.268 -22.090 1.00 0.00 N ATOM 0 H HIS A 72 -0.570 16.099 -19.954 1.00 0.00 H new ATOM 0 HA HIS A 72 0.954 15.169 -17.685 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.484 13.132 -18.228 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.417 14.598 -18.005 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.352 12.082 -20.696 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.822 14.925 -22.692 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -1.540 12.723 -22.951 1.00 0.00 H new ATOM 833 N MET A 73 2.355 14.611 -20.439 1.00 0.00 N ATOM 834 CA MET A 73 3.575 14.072 -21.057 1.00 0.00 C ATOM 835 C MET A 73 4.780 14.962 -20.711 1.00 0.00 C ATOM 836 O MET A 73 4.765 16.172 -20.944 1.00 0.00 O ATOM 837 CB MET A 73 3.376 13.937 -22.576 1.00 0.00 C ATOM 838 CG MET A 73 4.573 13.293 -23.281 1.00 0.00 C ATOM 839 SD MET A 73 4.917 11.584 -22.792 1.00 0.00 S ATOM 840 CE MET A 73 6.433 11.322 -23.747 1.00 0.00 C ATOM 0 H MET A 73 1.961 15.390 -20.967 1.00 0.00 H new ATOM 0 HA MET A 73 3.779 13.077 -20.660 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.484 13.341 -22.768 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.198 14.924 -23.003 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.400 13.320 -24.357 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.459 13.897 -23.086 1.00 0.00 H new ATOM 0 HE1 MET A 73 6.971 10.463 -23.347 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.178 11.137 -24.791 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.063 12.209 -23.679 1.00 0.00 H new ATOM 850 N VAL A 74 5.835 14.361 -20.161 1.00 0.00 N ATOM 851 CA VAL A 74 6.989 15.046 -19.558 1.00 0.00 C ATOM 852 C VAL A 74 8.242 14.862 -20.437 1.00 0.00 C ATOM 853 O VAL A 74 8.491 13.778 -20.969 1.00 0.00 O ATOM 854 CB VAL A 74 7.236 14.488 -18.138 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.283 15.317 -17.392 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.960 14.486 -17.277 1.00 0.00 C ATOM 0 H VAL A 74 5.917 13.345 -20.119 1.00 0.00 H new ATOM 0 HA VAL A 74 6.777 16.113 -19.489 1.00 0.00 H new ATOM 0 HB VAL A 74 7.581 13.464 -18.284 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.435 14.900 -16.396 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.224 15.295 -17.942 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.937 16.347 -17.305 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.188 14.085 -16.290 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.587 15.505 -17.177 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.200 13.867 -17.754 1.00 0.00 H new ATOM 866 N TYR A 75 9.051 15.915 -20.553 1.00 0.00 N ATOM 867 CA TYR A 75 10.292 16.029 -21.323 1.00 0.00 C ATOM 868 C TYR A 75 11.411 16.656 -20.458 1.00 0.00 C ATOM 869 O TYR A 75 11.577 17.876 -20.406 1.00 0.00 O ATOM 870 CB TYR A 75 10.012 16.841 -22.596 1.00 0.00 C ATOM 871 CG TYR A 75 9.332 15.996 -23.650 1.00 0.00 C ATOM 872 CD1 TYR A 75 10.097 15.034 -24.333 1.00 0.00 C ATOM 873 CD2 TYR A 75 7.948 16.101 -23.891 1.00 0.00 C ATOM 874 CE1 TYR A 75 9.484 14.162 -25.247 1.00 0.00 C ATOM 875 CE2 TYR A 75 7.335 15.240 -24.822 1.00 0.00 C ATOM 876 CZ TYR A 75 8.098 14.265 -25.501 1.00 0.00 C ATOM 877 OH TYR A 75 7.492 13.428 -26.389 1.00 0.00 O ATOM 0 H TYR A 75 8.837 16.787 -20.069 1.00 0.00 H new ATOM 0 HA TYR A 75 10.645 15.041 -21.618 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.383 17.697 -22.352 1.00 0.00 H new ATOM 0 HB3 TYR A 75 10.948 17.235 -22.991 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.160 14.966 -24.154 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.360 16.838 -23.364 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.072 13.413 -25.756 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.276 15.326 -25.017 1.00 0.00 H new ATOM 0 HH TYR A 75 6.536 13.640 -26.438 1.00 0.00 H new ATOM 887 N CYS A 76 12.186 15.805 -19.777 1.00 0.00 N ATOM 888 CA CYS A 76 13.275 16.147 -18.851 1.00 0.00 C ATOM 889 C CYS A 76 14.689 16.170 -19.463 1.00 0.00 C ATOM 890 O CYS A 76 15.664 16.262 -18.717 1.00 0.00 O ATOM 891 CB CYS A 76 13.212 15.212 -17.630 1.00 0.00 C ATOM 892 SG CYS A 76 11.712 15.518 -16.658 1.00 0.00 S ATOM 0 H CYS A 76 12.063 14.796 -19.862 1.00 0.00 H new ATOM 0 HA CYS A 76 13.105 17.183 -18.557 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.230 14.174 -17.961 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.092 15.363 -17.005 1.00 0.00 H new ATOM 0 HG CYS A 76 11.575 14.583 -15.765 1.00 0.00 H new ATOM 898 N GLY A 77 14.835 16.078 -20.789 1.00 0.00 N ATOM 899 CA GLY A 77 16.148 16.059 -21.451 1.00 0.00 C ATOM 900 C GLY A 77 17.036 17.254 -21.060 1.00 0.00 C ATOM 901 O GLY A 77 16.658 18.412 -21.255 1.00 0.00 O ATOM 0 H GLY A 77 14.048 16.015 -21.435 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.663 15.132 -21.198 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.004 16.059 -22.531 1.00 0.00 H new ATOM 905 N GLY A 78 18.211 16.964 -20.489 1.00 0.00 N ATOM 906 CA GLY A 78 19.184 17.957 -20.004 1.00 0.00 C ATOM 907 C GLY A 78 18.946 18.499 -18.581 1.00 0.00 C ATOM 908 O GLY A 78 19.750 19.305 -18.107 1.00 0.00 O ATOM 0 H GLY A 78 18.523 16.003 -20.346 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.177 17.510 -20.039 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.189 18.799 -20.696 1.00 0.00 H new ATOM 912 N ASP A 79 17.887 18.074 -17.880 1.00 0.00 N ATOM 913 CA ASP A 79 17.605 18.466 -16.487 1.00 0.00 C ATOM 914 C ASP A 79 18.248 17.513 -15.455 1.00 0.00 C ATOM 915 O ASP A 79 18.574 16.368 -15.778 1.00 0.00 O ATOM 916 CB ASP A 79 16.086 18.553 -16.282 1.00 0.00 C ATOM 917 CG ASP A 79 15.750 19.301 -14.992 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.814 20.551 -14.967 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.482 18.620 -13.979 1.00 0.00 O ATOM 0 H ASP A 79 17.190 17.439 -18.268 1.00 0.00 H new ATOM 0 HA ASP A 79 18.057 19.443 -16.317 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.629 19.062 -17.131 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.662 17.549 -16.246 1.00 0.00 H new ATOM 924 N LEU A 80 18.369 17.939 -14.189 1.00 0.00 N ATOM 925 CA LEU A 80 18.760 17.063 -13.076 1.00 0.00 C ATOM 926 C LEU A 80 17.800 15.875 -12.929 1.00 0.00 C ATOM 927 O LEU A 80 18.245 14.733 -12.809 1.00 0.00 O ATOM 928 CB LEU A 80 18.788 17.857 -11.755 1.00 0.00 C ATOM 929 CG LEU A 80 20.135 17.733 -11.025 1.00 0.00 C ATOM 930 CD1 LEU A 80 21.221 18.556 -11.721 1.00 0.00 C ATOM 931 CD2 LEU A 80 19.998 18.248 -9.593 1.00 0.00 C ATOM 0 H LEU A 80 18.198 18.904 -13.908 1.00 0.00 H new ATOM 0 HA LEU A 80 19.756 16.679 -13.299 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.585 18.908 -11.962 1.00 0.00 H new ATOM 0 HB3 LEU A 80 17.990 17.501 -11.103 1.00 0.00 H new ATOM 0 HG LEU A 80 20.417 16.680 -11.033 1.00 0.00 H new ATOM 0 HD11 LEU A 80 22.162 18.448 -11.181 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.347 18.201 -12.744 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.929 19.606 -11.734 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.956 18.158 -9.081 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.693 19.294 -9.610 1.00 0.00 H new ATOM 0 HD23 LEU A 80 19.247 17.660 -9.065 1.00 0.00 H new ATOM 943 N LEU A 81 16.485 16.130 -12.987 1.00 0.00 N ATOM 944 CA LEU A 81 15.483 15.064 -13.022 1.00 0.00 C ATOM 945 C LEU A 81 15.689 14.103 -14.214 1.00 0.00 C ATOM 946 O LEU A 81 15.560 12.891 -14.054 1.00 0.00 O ATOM 947 CB LEU A 81 14.081 15.707 -12.990 1.00 0.00 C ATOM 948 CG LEU A 81 12.891 14.725 -13.052 1.00 0.00 C ATOM 949 CD1 LEU A 81 12.961 13.597 -12.019 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.591 15.499 -12.827 1.00 0.00 C ATOM 0 H LEU A 81 16.093 17.071 -13.011 1.00 0.00 H new ATOM 0 HA LEU A 81 15.593 14.430 -12.142 1.00 0.00 H new ATOM 0 HB2 LEU A 81 13.993 16.298 -12.078 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.000 16.400 -13.828 1.00 0.00 H new ATOM 0 HG LEU A 81 12.929 14.261 -14.038 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.090 12.950 -12.127 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.868 13.014 -12.178 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.975 14.023 -11.016 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.746 14.812 -12.870 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.619 15.980 -11.849 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.481 16.258 -13.602 1.00 0.00 H new ATOM 962 N GLY A 82 16.092 14.609 -15.383 1.00 0.00 N ATOM 963 CA GLY A 82 16.449 13.779 -16.544 1.00 0.00 C ATOM 964 C GLY A 82 17.688 12.907 -16.309 1.00 0.00 C ATOM 965 O GLY A 82 17.694 11.727 -16.667 1.00 0.00 O ATOM 0 H GLY A 82 16.181 15.611 -15.555 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.605 13.138 -16.797 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.626 14.426 -17.403 1.00 0.00 H new ATOM 969 N GLU A 83 18.714 13.448 -15.644 1.00 0.00 N ATOM 970 CA GLU A 83 19.929 12.713 -15.278 1.00 0.00 C ATOM 971 C GLU A 83 19.625 11.592 -14.267 1.00 0.00 C ATOM 972 O GLU A 83 20.158 10.487 -14.396 1.00 0.00 O ATOM 973 CB GLU A 83 21.027 13.700 -14.819 1.00 0.00 C ATOM 974 CG GLU A 83 21.578 13.490 -13.403 1.00 0.00 C ATOM 975 CD GLU A 83 22.808 14.385 -13.153 1.00 0.00 C ATOM 976 OE1 GLU A 83 23.940 13.977 -13.513 1.00 0.00 O ATOM 977 OE2 GLU A 83 22.660 15.494 -12.587 1.00 0.00 O ATOM 0 H GLU A 83 18.724 14.422 -15.341 1.00 0.00 H new ATOM 0 HA GLU A 83 20.323 12.200 -16.155 1.00 0.00 H new ATOM 0 HB2 GLU A 83 21.858 13.640 -15.522 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.627 14.712 -14.884 1.00 0.00 H new ATOM 0 HG2 GLU A 83 20.804 13.716 -12.670 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.851 12.444 -13.266 1.00 0.00 H new ATOM 984 N LEU A 84 18.723 11.844 -13.309 1.00 0.00 N ATOM 985 CA LEU A 84 18.216 10.834 -12.390 1.00 0.00 C ATOM 986 C LEU A 84 17.456 9.719 -13.126 1.00 0.00 C ATOM 987 O LEU A 84 17.738 8.536 -12.924 1.00 0.00 O ATOM 988 CB LEU A 84 17.334 11.538 -11.345 1.00 0.00 C ATOM 989 CG LEU A 84 16.563 10.561 -10.446 1.00 0.00 C ATOM 990 CD1 LEU A 84 17.516 9.692 -9.635 1.00 0.00 C ATOM 991 CD2 LEU A 84 15.651 11.342 -9.511 1.00 0.00 C ATOM 0 H LEU A 84 18.324 12.770 -13.154 1.00 0.00 H new ATOM 0 HA LEU A 84 19.050 10.341 -11.891 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.960 12.177 -10.722 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.624 12.188 -11.857 1.00 0.00 H new ATOM 0 HG LEU A 84 15.966 9.906 -11.080 1.00 0.00 H new ATOM 0 HD11 LEU A 84 16.942 9.010 -9.008 1.00 0.00 H new ATOM 0 HD12 LEU A 84 18.149 9.117 -10.311 1.00 0.00 H new ATOM 0 HD13 LEU A 84 18.140 10.326 -9.005 1.00 0.00 H new ATOM 0 HD21 LEU A 84 15.104 10.648 -8.873 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.250 12.009 -8.891 1.00 0.00 H new ATOM 0 HD23 LEU A 84 14.945 11.929 -10.098 1.00 0.00 H new ATOM 1003 N LEU A 85 16.501 10.100 -13.979 1.00 0.00 N ATOM 1004 CA LEU A 85 15.666 9.174 -14.753 1.00 0.00 C ATOM 1005 C LEU A 85 16.511 8.244 -15.635 1.00 0.00 C ATOM 1006 O LEU A 85 16.220 7.050 -15.709 1.00 0.00 O ATOM 1007 CB LEU A 85 14.678 9.987 -15.619 1.00 0.00 C ATOM 1008 CG LEU A 85 13.439 10.439 -14.837 1.00 0.00 C ATOM 1009 CD1 LEU A 85 12.794 11.638 -15.515 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.401 9.315 -14.789 1.00 0.00 C ATOM 0 H LEU A 85 16.281 11.080 -14.155 1.00 0.00 H new ATOM 0 HA LEU A 85 15.116 8.542 -14.056 1.00 0.00 H new ATOM 0 HB2 LEU A 85 15.189 10.862 -16.020 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.365 9.382 -16.470 1.00 0.00 H new ATOM 0 HG LEU A 85 13.760 10.702 -13.829 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.916 11.947 -14.948 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.508 12.461 -15.556 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.495 11.366 -16.527 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.527 9.650 -14.231 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.104 9.051 -15.804 1.00 0.00 H new ATOM 0 HD23 LEU A 85 12.832 8.442 -14.298 1.00 0.00 H new ATOM 1022 N GLY A 86 17.526 8.786 -16.319 1.00 0.00 N ATOM 1023 CA GLY A 86 18.295 8.088 -17.363 1.00 0.00 C ATOM 1024 C GLY A 86 17.599 8.060 -18.736 1.00 0.00 C ATOM 1025 O GLY A 86 18.091 7.425 -19.671 1.00 0.00 O ATOM 0 H GLY A 86 17.844 9.742 -16.161 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.267 8.571 -17.469 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.481 7.064 -17.040 1.00 0.00 H new ATOM 1029 N ARG A 87 16.450 8.745 -18.852 1.00 0.00 N ATOM 1030 CA ARG A 87 15.627 8.931 -20.056 1.00 0.00 C ATOM 1031 C ARG A 87 15.038 10.343 -20.065 1.00 0.00 C ATOM 1032 O ARG A 87 14.617 10.855 -19.030 1.00 0.00 O ATOM 1033 CB ARG A 87 14.564 7.811 -20.210 1.00 0.00 C ATOM 1034 CG ARG A 87 13.571 7.598 -19.048 1.00 0.00 C ATOM 1035 CD ARG A 87 14.130 6.718 -17.918 1.00 0.00 C ATOM 1036 NE ARG A 87 13.882 5.274 -18.103 1.00 0.00 N ATOM 1037 CZ ARG A 87 14.192 4.328 -17.228 1.00 0.00 C ATOM 1038 NH1 ARG A 87 14.848 4.557 -16.131 1.00 0.00 N ATOM 1039 NH2 ARG A 87 13.843 3.090 -17.404 1.00 0.00 N ATOM 0 H ARG A 87 16.042 9.218 -18.046 1.00 0.00 H new ATOM 0 HA ARG A 87 16.259 8.839 -20.940 1.00 0.00 H new ATOM 0 HB2 ARG A 87 13.986 8.019 -21.111 1.00 0.00 H new ATOM 0 HB3 ARG A 87 15.090 6.871 -20.378 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.291 8.568 -18.638 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.661 7.141 -19.437 1.00 0.00 H new ATOM 0 HD2 ARG A 87 15.204 6.885 -17.839 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.688 7.034 -16.973 1.00 0.00 H new ATOM 0 HE ARG A 87 13.437 4.982 -18.973 1.00 0.00 H new ATOM 0 HH11 ARG A 87 15.152 5.504 -15.907 1.00 0.00 H new ATOM 0 HH12 ARG A 87 15.059 3.789 -15.493 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.315 2.822 -18.234 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.097 2.385 -16.712 1.00 0.00 H new ATOM 1053 N GLN A 88 15.011 10.963 -21.242 1.00 0.00 N ATOM 1054 CA GLN A 88 14.518 12.334 -21.453 1.00 0.00 C ATOM 1055 C GLN A 88 13.000 12.469 -21.360 1.00 0.00 C ATOM 1056 O GLN A 88 12.508 13.588 -21.301 1.00 0.00 O ATOM 1057 CB GLN A 88 15.010 12.834 -22.819 1.00 0.00 C ATOM 1058 CG GLN A 88 14.462 12.068 -24.039 1.00 0.00 C ATOM 1059 CD GLN A 88 15.025 12.620 -25.349 1.00 0.00 C ATOM 1060 OE1 GLN A 88 15.966 12.090 -25.927 1.00 0.00 O ATOM 1061 NE2 GLN A 88 14.489 13.709 -25.864 1.00 0.00 N ATOM 0 H GLN A 88 15.338 10.520 -22.101 1.00 0.00 H new ATOM 0 HA GLN A 88 14.918 12.945 -20.644 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.741 13.885 -22.921 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.099 12.780 -22.836 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.715 11.012 -23.950 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.374 12.135 -24.053 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.705 14.162 -25.395 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.858 14.098 -26.731 1.00 0.00 H new ATOM 1070 N SER A 89 12.252 11.370 -21.380 1.00 0.00 N ATOM 1071 CA SER A 89 10.780 11.428 -21.362 1.00 0.00 C ATOM 1072 C SER A 89 10.067 10.233 -20.723 1.00 0.00 C ATOM 1073 O SER A 89 10.574 9.109 -20.676 1.00 0.00 O ATOM 1074 CB SER A 89 10.250 11.651 -22.785 1.00 0.00 C ATOM 1075 OG SER A 89 10.632 10.586 -23.646 1.00 0.00 O ATOM 0 H SER A 89 12.634 10.425 -21.409 1.00 0.00 H new ATOM 0 HA SER A 89 10.545 12.270 -20.710 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.163 11.733 -22.763 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.633 12.594 -23.176 1.00 0.00 H new ATOM 0 HG SER A 89 10.281 10.751 -24.546 1.00 0.00 H new ATOM 1081 N PHE A 90 8.869 10.528 -20.211 1.00 0.00 N ATOM 1082 CA PHE A 90 7.890 9.634 -19.579 1.00 0.00 C ATOM 1083 C PHE A 90 6.542 10.380 -19.478 1.00 0.00 C ATOM 1084 O PHE A 90 6.466 11.566 -19.811 1.00 0.00 O ATOM 1085 CB PHE A 90 8.383 9.225 -18.180 1.00 0.00 C ATOM 1086 CG PHE A 90 8.472 10.358 -17.178 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.593 11.209 -17.175 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.425 10.580 -16.264 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.657 12.282 -16.273 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.498 11.644 -15.351 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.627 12.483 -15.335 1.00 0.00 C ATOM 0 H PHE A 90 8.526 11.489 -20.229 1.00 0.00 H new ATOM 0 HA PHE A 90 7.765 8.730 -20.175 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.714 8.461 -17.784 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.367 8.767 -18.277 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.404 11.036 -17.867 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.563 9.930 -16.265 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.500 12.956 -16.299 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.686 11.819 -14.660 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.703 13.277 -14.607 1.00 0.00 H new ATOM 1101 N SER A 91 5.480 9.738 -18.986 1.00 0.00 N ATOM 1102 CA SER A 91 4.198 10.403 -18.734 1.00 0.00 C ATOM 1103 C SER A 91 3.624 10.115 -17.342 1.00 0.00 C ATOM 1104 O SER A 91 3.974 9.146 -16.668 1.00 0.00 O ATOM 1105 CB SER A 91 3.200 10.035 -19.837 1.00 0.00 C ATOM 1106 OG SER A 91 2.512 8.837 -19.531 1.00 0.00 O ATOM 0 H SER A 91 5.483 8.745 -18.751 1.00 0.00 H new ATOM 0 HA SER A 91 4.382 11.477 -18.754 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.483 10.846 -19.966 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.727 9.922 -20.784 1.00 0.00 H new ATOM 0 HG SER A 91 1.881 8.629 -20.252 1.00 0.00 H new ATOM 1112 N VAL A 92 2.675 10.960 -16.943 1.00 0.00 N ATOM 1113 CA VAL A 92 1.800 10.805 -15.766 1.00 0.00 C ATOM 1114 C VAL A 92 1.006 9.485 -15.816 1.00 0.00 C ATOM 1115 O VAL A 92 0.655 8.925 -14.776 1.00 0.00 O ATOM 1116 CB VAL A 92 0.846 12.013 -15.781 1.00 0.00 C ATOM 1117 CG1 VAL A 92 -0.438 11.936 -14.963 1.00 0.00 C ATOM 1118 CG2 VAL A 92 1.580 13.310 -15.421 1.00 0.00 C ATOM 0 H VAL A 92 2.480 11.820 -17.455 1.00 0.00 H new ATOM 0 HA VAL A 92 2.390 10.769 -14.850 1.00 0.00 H new ATOM 0 HB VAL A 92 0.506 11.999 -16.817 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.999 12.863 -15.078 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.043 11.100 -15.313 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.191 11.790 -13.911 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.877 14.143 -15.441 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.009 13.220 -14.423 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.377 13.490 -16.143 1.00 0.00 H new ATOM 1128 N LYS A 93 0.722 8.988 -17.031 1.00 0.00 N ATOM 1129 CA LYS A 93 -0.119 7.812 -17.319 1.00 0.00 C ATOM 1130 C LYS A 93 0.691 6.511 -17.486 1.00 0.00 C ATOM 1131 O LYS A 93 0.127 5.421 -17.389 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.997 8.131 -18.547 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.942 9.322 -18.282 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.691 9.779 -19.541 1.00 0.00 C ATOM 1135 CE LYS A 93 -3.567 10.995 -19.198 1.00 0.00 C ATOM 1136 NZ LYS A 93 -4.173 11.614 -20.410 1.00 0.00 N ATOM 0 H LYS A 93 1.090 9.415 -17.881 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.759 7.617 -16.458 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.359 8.356 -19.401 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.585 7.252 -18.812 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.665 9.042 -17.516 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.364 10.157 -17.885 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.981 10.038 -20.327 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.309 8.968 -19.925 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.359 10.689 -18.515 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.965 11.738 -18.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.685 12.478 -20.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.423 11.854 -21.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.835 10.942 -20.849 1.00 0.00 H new ATOM 1150 N ASP A 94 2.007 6.622 -17.680 1.00 0.00 N ATOM 1151 CA ASP A 94 2.991 5.532 -17.724 1.00 0.00 C ATOM 1152 C ASP A 94 4.166 5.840 -16.758 1.00 0.00 C ATOM 1153 O ASP A 94 5.249 6.244 -17.198 1.00 0.00 O ATOM 1154 CB ASP A 94 3.436 5.329 -19.183 1.00 0.00 C ATOM 1155 CG ASP A 94 4.434 4.168 -19.344 1.00 0.00 C ATOM 1156 OD1 ASP A 94 4.300 3.140 -18.636 1.00 0.00 O ATOM 1157 OD2 ASP A 94 5.333 4.256 -20.216 1.00 0.00 O ATOM 0 H ASP A 94 2.444 7.533 -17.820 1.00 0.00 H new ATOM 0 HA ASP A 94 2.554 4.594 -17.381 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.560 5.138 -19.802 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.892 6.248 -19.551 1.00 0.00 H new ATOM 1162 N PRO A 95 3.958 5.691 -15.431 1.00 0.00 N ATOM 1163 CA PRO A 95 4.882 6.160 -14.391 1.00 0.00 C ATOM 1164 C PRO A 95 6.115 5.277 -14.133 1.00 0.00 C ATOM 1165 O PRO A 95 7.007 5.691 -13.393 1.00 0.00 O ATOM 1166 CB PRO A 95 4.012 6.257 -13.135 1.00 0.00 C ATOM 1167 CG PRO A 95 3.014 5.118 -13.314 1.00 0.00 C ATOM 1168 CD PRO A 95 2.737 5.180 -14.814 1.00 0.00 C ATOM 0 HA PRO A 95 5.331 7.101 -14.708 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.602 6.137 -12.226 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.512 7.223 -13.065 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.432 4.157 -13.015 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.110 5.270 -12.724 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.486 4.194 -15.205 1.00 0.00 H new ATOM 0 HD3 PRO A 95 1.890 5.832 -15.027 1.00 0.00 H new ATOM 1176 N SER A 96 6.196 4.077 -14.714 1.00 0.00 N ATOM 1177 CA SER A 96 7.243 3.069 -14.455 1.00 0.00 C ATOM 1178 C SER A 96 8.697 3.584 -14.366 1.00 0.00 C ATOM 1179 O SER A 96 9.383 3.189 -13.418 1.00 0.00 O ATOM 1180 CB SER A 96 7.158 1.953 -15.505 1.00 0.00 C ATOM 1181 OG SER A 96 5.865 1.363 -15.485 1.00 0.00 O ATOM 0 H SER A 96 5.513 3.764 -15.403 1.00 0.00 H new ATOM 0 HA SER A 96 7.022 2.707 -13.451 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.367 2.358 -16.495 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.915 1.195 -15.304 1.00 0.00 H new ATOM 0 HG SER A 96 5.819 0.653 -16.159 1.00 0.00 H new ATOM 1187 N PRO A 97 9.209 4.479 -15.246 1.00 0.00 N ATOM 1188 CA PRO A 97 10.591 4.966 -15.141 1.00 0.00 C ATOM 1189 C PRO A 97 10.885 5.792 -13.875 1.00 0.00 C ATOM 1190 O PRO A 97 12.041 5.852 -13.459 1.00 0.00 O ATOM 1191 CB PRO A 97 10.849 5.764 -16.423 1.00 0.00 C ATOM 1192 CG PRO A 97 9.459 6.202 -16.861 1.00 0.00 C ATOM 1193 CD PRO A 97 8.597 5.012 -16.461 1.00 0.00 C ATOM 0 HA PRO A 97 11.270 4.119 -15.040 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.499 6.619 -16.238 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.335 5.153 -17.184 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.145 7.117 -16.359 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.413 6.394 -17.933 1.00 0.00 H new ATOM 0 HD2 PRO A 97 7.566 5.317 -16.280 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.573 4.261 -17.251 1.00 0.00 H new ATOM 1201 N LEU A 98 9.875 6.366 -13.205 1.00 0.00 N ATOM 1202 CA LEU A 98 10.037 6.999 -11.893 1.00 0.00 C ATOM 1203 C LEU A 98 10.422 5.949 -10.846 1.00 0.00 C ATOM 1204 O LEU A 98 11.425 6.040 -10.142 1.00 0.00 O ATOM 1205 CB LEU A 98 8.698 7.650 -11.474 1.00 0.00 C ATOM 1206 CG LEU A 98 8.112 8.696 -12.432 1.00 0.00 C ATOM 1207 CD1 LEU A 98 6.700 9.087 -11.999 1.00 0.00 C ATOM 1208 CD2 LEU A 98 8.975 9.950 -12.417 1.00 0.00 C ATOM 0 H LEU A 98 8.920 6.403 -13.562 1.00 0.00 H new ATOM 0 HA LEU A 98 10.822 7.753 -11.957 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.961 6.858 -11.342 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.838 8.120 -10.501 1.00 0.00 H new ATOM 0 HG LEU A 98 8.085 8.262 -13.432 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.300 9.829 -12.690 1.00 0.00 H new ATOM 0 HD12 LEU A 98 6.060 8.205 -12.005 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.731 9.506 -10.993 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.555 10.689 -13.099 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.002 10.361 -11.408 1.00 0.00 H new ATOM 0 HD23 LEU A 98 9.987 9.699 -12.734 1.00 0.00 H new ATOM 1220 N TYR A 99 9.642 4.879 -10.780 1.00 0.00 N ATOM 1221 CA TYR A 99 9.879 3.822 -9.812 1.00 0.00 C ATOM 1222 C TYR A 99 11.201 3.101 -10.110 1.00 0.00 C ATOM 1223 O TYR A 99 11.907 2.718 -9.188 1.00 0.00 O ATOM 1224 CB TYR A 99 8.661 2.894 -9.803 1.00 0.00 C ATOM 1225 CG TYR A 99 7.408 3.534 -9.222 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.613 4.417 -9.989 1.00 0.00 C ATOM 1227 CD2 TYR A 99 7.040 3.240 -7.893 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.433 4.956 -9.439 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.856 3.772 -7.346 1.00 0.00 C ATOM 1230 CZ TYR A 99 5.040 4.620 -8.126 1.00 0.00 C ATOM 1231 OH TYR A 99 3.871 5.109 -7.626 1.00 0.00 O ATOM 0 H TYR A 99 8.838 4.722 -11.388 1.00 0.00 H new ATOM 0 HA TYR A 99 9.993 4.231 -8.808 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.454 2.571 -10.823 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.901 1.999 -9.228 1.00 0.00 H new ATOM 0 HD1 TYR A 99 6.910 4.678 -10.994 1.00 0.00 H new ATOM 0 HD2 TYR A 99 7.670 2.603 -7.290 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.826 5.630 -10.025 1.00 0.00 H new ATOM 0 HE2 TYR A 99 5.573 3.532 -6.332 1.00 0.00 H new ATOM 0 HH TYR A 99 3.984 6.055 -7.397 1.00 0.00 H new ATOM 1241 N ASP A 100 11.623 3.041 -11.375 1.00 0.00 N ATOM 1242 CA ASP A 100 12.916 2.488 -11.797 1.00 0.00 C ATOM 1243 C ASP A 100 14.113 3.340 -11.358 1.00 0.00 C ATOM 1244 O ASP A 100 15.158 2.814 -10.980 1.00 0.00 O ATOM 1245 CB ASP A 100 12.905 2.388 -13.316 1.00 0.00 C ATOM 1246 CG ASP A 100 14.058 1.559 -13.897 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.318 0.442 -13.389 1.00 0.00 O ATOM 1248 OD2 ASP A 100 14.676 2.027 -14.885 1.00 0.00 O ATOM 0 H ASP A 100 11.062 3.384 -12.155 1.00 0.00 H new ATOM 0 HA ASP A 100 13.036 1.515 -11.321 1.00 0.00 H new ATOM 0 HB2 ASP A 100 11.959 1.949 -13.634 1.00 0.00 H new ATOM 0 HB3 ASP A 100 12.946 3.393 -13.736 1.00 0.00 H new ATOM 1253 N MET A 101 13.946 4.662 -11.369 1.00 0.00 N ATOM 1254 CA MET A 101 14.942 5.605 -10.837 1.00 0.00 C ATOM 1255 C MET A 101 14.976 5.629 -9.293 1.00 0.00 C ATOM 1256 O MET A 101 16.020 5.928 -8.716 1.00 0.00 O ATOM 1257 CB MET A 101 14.771 7.004 -11.464 1.00 0.00 C ATOM 1258 CG MET A 101 13.980 7.954 -10.568 1.00 0.00 C ATOM 1259 SD MET A 101 13.169 9.343 -11.378 1.00 0.00 S ATOM 1260 CE MET A 101 11.905 9.637 -10.118 1.00 0.00 C ATOM 0 H MET A 101 13.115 5.116 -11.748 1.00 0.00 H new ATOM 0 HA MET A 101 15.926 5.243 -11.135 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.754 7.432 -11.663 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.264 6.909 -12.424 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.220 7.374 -10.045 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.657 8.350 -9.811 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.153 10.321 -10.510 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.432 8.692 -9.850 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.368 10.075 -9.234 1.00 0.00 H new ATOM 1270 N LEU A 102 13.853 5.351 -8.606 1.00 0.00 N ATOM 1271 CA LEU A 102 13.757 5.388 -7.149 1.00 0.00 C ATOM 1272 C LEU A 102 14.219 4.058 -6.552 1.00 0.00 C ATOM 1273 O LEU A 102 15.003 4.080 -5.615 1.00 0.00 O ATOM 1274 CB LEU A 102 12.316 5.755 -6.719 1.00 0.00 C ATOM 1275 CG LEU A 102 11.860 7.193 -7.052 1.00 0.00 C ATOM 1276 CD1 LEU A 102 10.413 7.411 -6.616 1.00 0.00 C ATOM 1277 CD2 LEU A 102 12.717 8.259 -6.369 1.00 0.00 C ATOM 0 H LEU A 102 12.978 5.091 -9.061 1.00 0.00 H new ATOM 0 HA LEU A 102 14.419 6.162 -6.762 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.627 5.057 -7.193 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.229 5.607 -5.643 1.00 0.00 H new ATOM 0 HG LEU A 102 11.965 7.296 -8.132 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.109 8.429 -6.859 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.766 6.705 -7.137 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.329 7.254 -5.541 1.00 0.00 H new ATOM 0 HD21 LEU A 102 12.350 9.249 -6.640 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.660 8.134 -5.288 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.753 8.155 -6.692 1.00 0.00 H new ATOM 1289 N ARG A 103 13.843 2.911 -7.130 1.00 0.00 N ATOM 1290 CA ARG A 103 14.029 1.566 -6.541 1.00 0.00 C ATOM 1291 C ARG A 103 15.455 1.206 -6.093 1.00 0.00 C ATOM 1292 O ARG A 103 15.638 0.450 -5.139 1.00 0.00 O ATOM 1293 CB ARG A 103 13.438 0.515 -7.487 1.00 0.00 C ATOM 1294 CG ARG A 103 14.198 0.291 -8.798 1.00 0.00 C ATOM 1295 CD ARG A 103 13.463 -0.773 -9.608 1.00 0.00 C ATOM 1296 NE ARG A 103 14.122 -1.002 -10.911 1.00 0.00 N ATOM 1297 CZ ARG A 103 14.882 -2.011 -11.290 1.00 0.00 C ATOM 1298 NH1 ARG A 103 15.170 -3.023 -10.520 1.00 0.00 N ATOM 1299 NH2 ARG A 103 15.366 -1.986 -12.494 1.00 0.00 N ATOM 0 H ARG A 103 13.389 2.884 -8.043 1.00 0.00 H new ATOM 0 HA ARG A 103 13.486 1.581 -5.596 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.383 -0.435 -6.955 1.00 0.00 H new ATOM 0 HB3 ARG A 103 12.415 0.805 -7.728 1.00 0.00 H new ATOM 0 HG2 ARG A 103 14.261 1.221 -9.363 1.00 0.00 H new ATOM 0 HG3 ARG A 103 15.220 -0.027 -8.594 1.00 0.00 H new ATOM 0 HD2 ARG A 103 13.431 -1.706 -9.045 1.00 0.00 H new ATOM 0 HD3 ARG A 103 12.431 -0.463 -9.769 1.00 0.00 H new ATOM 0 HE ARG A 103 13.968 -0.280 -11.614 1.00 0.00 H new ATOM 0 HH11 ARG A 103 14.801 -3.062 -9.570 1.00 0.00 H new ATOM 0 HH12 ARG A 103 15.764 -3.776 -10.868 1.00 0.00 H new ATOM 0 HH21 ARG A 103 15.154 -1.203 -13.113 1.00 0.00 H new ATOM 0 HH22 ARG A 103 15.958 -2.749 -12.822 1.00 0.00 H new ATOM 1313 N LYS A 104 16.453 1.768 -6.785 1.00 0.00 N ATOM 1314 CA LYS A 104 17.900 1.610 -6.554 1.00 0.00 C ATOM 1315 C LYS A 104 18.587 2.745 -5.768 1.00 0.00 C ATOM 1316 O LYS A 104 19.743 2.580 -5.383 1.00 0.00 O ATOM 1317 CB LYS A 104 18.616 1.286 -7.885 1.00 0.00 C ATOM 1318 CG LYS A 104 18.076 1.901 -9.190 1.00 0.00 C ATOM 1319 CD LYS A 104 17.906 3.429 -9.183 1.00 0.00 C ATOM 1320 CE LYS A 104 19.169 4.268 -8.982 1.00 0.00 C ATOM 1321 NZ LYS A 104 20.174 4.094 -10.072 1.00 0.00 N ATOM 0 H LYS A 104 16.262 2.386 -7.574 1.00 0.00 H new ATOM 0 HA LYS A 104 17.998 0.763 -5.875 1.00 0.00 H new ATOM 0 HB2 LYS A 104 19.657 1.593 -7.782 1.00 0.00 H new ATOM 0 HB3 LYS A 104 18.613 0.203 -8.005 1.00 0.00 H new ATOM 0 HG2 LYS A 104 18.750 1.632 -10.003 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.110 1.447 -9.412 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.451 3.723 -10.129 1.00 0.00 H new ATOM 0 HD3 LYS A 104 17.199 3.687 -8.395 1.00 0.00 H new ATOM 0 HE2 LYS A 104 18.891 5.320 -8.918 1.00 0.00 H new ATOM 0 HE3 LYS A 104 19.627 4.001 -8.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 21.005 4.688 -9.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 20.465 3.097 -10.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.753 4.375 -10.980 1.00 0.00 H new ATOM 1335 N ASN A 105 17.917 3.879 -5.524 1.00 0.00 N ATOM 1336 CA ASN A 105 18.457 4.985 -4.702 1.00 0.00 C ATOM 1337 C ASN A 105 17.670 5.217 -3.406 1.00 0.00 C ATOM 1338 O ASN A 105 18.259 5.400 -2.341 1.00 0.00 O ATOM 1339 CB ASN A 105 18.541 6.286 -5.528 1.00 0.00 C ATOM 1340 CG ASN A 105 19.892 6.441 -6.205 1.00 0.00 C ATOM 1341 OD1 ASN A 105 20.004 6.600 -7.407 1.00 0.00 O ATOM 1342 ND2 ASN A 105 20.967 6.378 -5.455 1.00 0.00 N ATOM 0 H ASN A 105 16.982 4.062 -5.889 1.00 0.00 H new ATOM 0 HA ASN A 105 19.461 4.684 -4.403 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.754 6.288 -6.283 1.00 0.00 H new ATOM 0 HB3 ASN A 105 18.361 7.142 -4.877 1.00 0.00 H new ATOM 0 HD21 ASN A 105 21.891 6.462 -5.879 1.00 0.00 H new ATOM 0 HD22 ASN A 105 20.879 6.245 -4.448 1.00 0.00 H new ATOM 1349 N LEU A 106 16.343 5.232 -3.505 1.00 0.00 N ATOM 1350 CA LEU A 106 15.408 5.429 -2.416 1.00 0.00 C ATOM 1351 C LEU A 106 15.050 4.073 -1.795 1.00 0.00 C ATOM 1352 O LEU A 106 14.685 3.131 -2.501 1.00 0.00 O ATOM 1353 CB LEU A 106 14.211 6.125 -3.072 1.00 0.00 C ATOM 1354 CG LEU A 106 13.193 6.831 -2.190 1.00 0.00 C ATOM 1355 CD1 LEU A 106 12.452 5.934 -1.210 1.00 0.00 C ATOM 1356 CD2 LEU A 106 13.789 8.010 -1.430 1.00 0.00 C ATOM 0 H LEU A 106 15.872 5.099 -4.400 1.00 0.00 H new ATOM 0 HA LEU A 106 15.800 6.029 -1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.603 6.860 -3.775 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.676 5.377 -3.658 1.00 0.00 H new ATOM 0 HG LEU A 106 12.459 7.190 -2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.750 6.532 -0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.907 5.167 -1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.168 5.460 -0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 106 13.017 8.476 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.598 7.659 -0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 106 14.179 8.740 -2.139 1.00 0.00 H new