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= 1.17 K(o=1.2,f=-4.6!) USER MOD Set 1.2: A 93 LYS NZ :NH3+ -160:sc= 0 (180deg=0) USER MOD Set 2.1: A 61 MET CE :methyl -174:sc= 0 (180deg=-0.0365) USER MOD Set 2.2: A 66 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 59 TYR OH : rot 180:sc= 0.0989 USER MOD Set 3.2: A 63 LYS NZ :NH3+ -151:sc= 1.06 (180deg=0.564) USER MOD Set 4.1: A 53 MET CE :methyl 165:sc= -0.0191 (180deg=-0.264) USER MOD Set 4.2: A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.086) 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= 0.534 K(o=0.53,f=-2!) USER MOD Single : A 43 GLN : amide:sc= -0.0596 X(o=-0.06,f=-0.44) USER MOD Single : A 46 MET CE :methyl 171:sc= 0 (180deg=-0.117) USER MOD Single : A 48 THR OG1 : rot -170:sc= -0.138 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc=-0.00367 X(o=-0.0037,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=-0.55) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= -1.16! C(o=-1.2!,f=-1.3!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= 1.27 K(o=1.3,f=-0.008) USER MOD Single : A 73 MET CE :methyl -173:sc= 0 (180deg=-0.0743) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 170:sc= -0.274 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= 0.325 USER MOD Single : A 96 SER OG : rot 119:sc= 1.25 USER MOD Single : A 101 MET CE :methyl 170:sc= 0 (180deg=-0.0136) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -1.28 K(o=-1.3,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 51 N GLN A 26 9.756 8.351 8.084 1.00 0.00 N ATOM 52 CA GLN A 26 10.088 7.887 6.726 1.00 0.00 C ATOM 53 C GLN A 26 11.560 8.138 6.371 1.00 0.00 C ATOM 54 O GLN A 26 12.346 8.616 7.190 1.00 0.00 O ATOM 55 CB GLN A 26 9.166 8.520 5.688 1.00 0.00 C ATOM 56 CG GLN A 26 7.698 8.178 5.914 1.00 0.00 C ATOM 57 CD GLN A 26 7.352 6.682 5.951 1.00 0.00 C ATOM 58 OE1 GLN A 26 6.469 6.252 6.679 1.00 0.00 O ATOM 59 NE2 GLN A 26 7.975 5.835 5.153 1.00 0.00 N ATOM 0 HA GLN A 26 9.932 6.808 6.713 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.290 9.603 5.711 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.463 8.187 4.694 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.382 8.627 6.856 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.111 8.647 5.124 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.716 6.167 4.535 1.00 0.00 H new ATOM 0 HE22 GLN A 26 7.716 4.849 5.154 1.00 0.00 H new ATOM 68 N VAL A 27 11.933 7.762 5.146 1.00 0.00 N ATOM 69 CA VAL A 27 13.335 7.709 4.681 1.00 0.00 C ATOM 70 C VAL A 27 13.759 8.853 3.753 1.00 0.00 C ATOM 71 O VAL A 27 12.949 9.447 3.042 1.00 0.00 O ATOM 72 CB VAL A 27 13.663 6.314 4.101 1.00 0.00 C ATOM 73 CG1 VAL A 27 15.132 6.122 3.694 1.00 0.00 C ATOM 74 CG2 VAL A 27 13.369 5.234 5.155 1.00 0.00 C ATOM 0 H VAL A 27 11.263 7.479 4.431 1.00 0.00 H new ATOM 0 HA VAL A 27 13.948 7.869 5.568 1.00 0.00 H new ATOM 0 HB VAL A 27 13.043 6.230 3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 27 15.271 5.116 3.298 1.00 0.00 H new ATOM 0 HG12 VAL A 27 15.396 6.853 2.930 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.772 6.261 4.565 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.601 4.252 4.744 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.982 5.412 6.039 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.315 5.272 5.431 1.00 0.00 H new ATOM 84 N ARG A 28 15.063 9.161 3.794 1.00 0.00 N ATOM 85 CA ARG A 28 15.758 10.188 3.007 1.00 0.00 C ATOM 86 C ARG A 28 16.385 9.608 1.723 1.00 0.00 C ATOM 87 O ARG A 28 17.183 8.672 1.827 1.00 0.00 O ATOM 88 CB ARG A 28 16.797 10.844 3.938 1.00 0.00 C ATOM 89 CG ARG A 28 17.623 11.984 3.319 1.00 0.00 C ATOM 90 CD ARG A 28 18.438 12.665 4.428 1.00 0.00 C ATOM 91 NE ARG A 28 19.148 13.863 3.948 1.00 0.00 N ATOM 92 CZ ARG A 28 20.385 13.973 3.509 1.00 0.00 C ATOM 93 NH1 ARG A 28 21.169 12.950 3.311 1.00 0.00 N ATOM 94 NH2 ARG A 28 20.838 15.167 3.279 1.00 0.00 N ATOM 0 H ARG A 28 15.701 8.667 4.418 1.00 0.00 H new ATOM 0 HA ARG A 28 15.054 10.941 2.651 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.278 11.231 4.815 1.00 0.00 H new ATOM 0 HB3 ARG A 28 17.483 10.072 4.288 1.00 0.00 H new ATOM 0 HG2 ARG A 28 18.288 11.593 2.549 1.00 0.00 H new ATOM 0 HG3 ARG A 28 16.966 12.707 2.836 1.00 0.00 H new ATOM 0 HD2 ARG A 28 17.773 12.943 5.245 1.00 0.00 H new ATOM 0 HD3 ARG A 28 19.160 11.956 4.832 1.00 0.00 H new ATOM 0 HE ARG A 28 18.607 14.727 3.957 1.00 0.00 H new ATOM 0 HH11 ARG A 28 20.832 12.006 3.498 1.00 0.00 H new ATOM 0 HH12 ARG A 28 22.119 13.094 2.969 1.00 0.00 H new ATOM 0 HH21 ARG A 28 20.241 15.979 3.439 1.00 0.00 H new ATOM 0 HH22 ARG A 28 21.791 15.294 2.938 1.00 0.00 H new ATOM 108 N PRO A 29 16.068 10.141 0.524 1.00 0.00 N ATOM 109 CA PRO A 29 16.727 9.754 -0.727 1.00 0.00 C ATOM 110 C PRO A 29 18.184 10.249 -0.796 1.00 0.00 C ATOM 111 O PRO A 29 18.589 11.133 -0.037 1.00 0.00 O ATOM 112 CB PRO A 29 15.858 10.353 -1.840 1.00 0.00 C ATOM 113 CG PRO A 29 15.185 11.561 -1.192 1.00 0.00 C ATOM 114 CD PRO A 29 15.058 11.164 0.276 1.00 0.00 C ATOM 0 HA PRO A 29 16.805 8.671 -0.819 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.461 10.648 -2.699 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.122 9.634 -2.199 1.00 0.00 H new ATOM 0 HG2 PRO A 29 15.783 12.464 -1.312 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.211 11.763 -1.637 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.213 12.026 0.925 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.060 10.781 0.488 1.00 0.00 H new ATOM 122 N LYS A 30 18.972 9.701 -1.735 1.00 0.00 N ATOM 123 CA LYS A 30 20.372 10.121 -1.966 1.00 0.00 C ATOM 124 C LYS A 30 20.455 11.585 -2.412 1.00 0.00 C ATOM 125 O LYS A 30 19.515 12.109 -3.004 1.00 0.00 O ATOM 126 CB LYS A 30 21.069 9.185 -2.983 1.00 0.00 C ATOM 127 CG LYS A 30 22.469 8.760 -2.503 1.00 0.00 C ATOM 128 CD LYS A 30 23.408 8.342 -3.645 1.00 0.00 C ATOM 129 CE LYS A 30 24.798 8.009 -3.082 1.00 0.00 C ATOM 130 NZ LYS A 30 25.748 7.588 -4.150 1.00 0.00 N ATOM 0 H LYS A 30 18.661 8.955 -2.357 1.00 0.00 H new ATOM 0 HA LYS A 30 20.902 10.041 -1.017 1.00 0.00 H new ATOM 0 HB2 LYS A 30 20.455 8.299 -3.142 1.00 0.00 H new ATOM 0 HB3 LYS A 30 21.153 9.691 -3.945 1.00 0.00 H new ATOM 0 HG2 LYS A 30 22.922 9.586 -1.954 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.368 7.930 -1.804 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.999 7.476 -4.165 1.00 0.00 H new ATOM 0 HD3 LYS A 30 23.485 9.146 -4.377 1.00 0.00 H new ATOM 0 HE2 LYS A 30 25.198 8.881 -2.565 1.00 0.00 H new ATOM 0 HE3 LYS A 30 24.708 7.213 -2.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 26.673 7.373 -3.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 25.380 6.740 -4.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 25.855 8.357 -4.843 1.00 0.00 H new ATOM 144 N LEU A 31 21.610 12.218 -2.210 1.00 0.00 N ATOM 145 CA LEU A 31 21.852 13.645 -2.505 1.00 0.00 C ATOM 146 C LEU A 31 21.415 14.089 -3.922 1.00 0.00 C ATOM 147 O LEU A 31 20.653 15.054 -4.007 1.00 0.00 O ATOM 148 CB LEU A 31 23.336 13.999 -2.237 1.00 0.00 C ATOM 149 CG LEU A 31 23.741 14.317 -0.781 1.00 0.00 C ATOM 150 CD1 LEU A 31 23.029 15.557 -0.236 1.00 0.00 C ATOM 151 CD2 LEU A 31 23.498 13.158 0.186 1.00 0.00 C ATOM 0 H LEU A 31 22.430 11.747 -1.827 1.00 0.00 H new ATOM 0 HA LEU A 31 21.212 14.209 -1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.948 13.166 -2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.593 14.860 -2.854 1.00 0.00 H new ATOM 0 HG LEU A 31 24.814 14.503 -0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 31 23.348 15.738 0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 31 23.280 16.421 -0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 31 21.951 15.397 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 31 23.805 13.451 1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 31 22.438 12.904 0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 31 24.078 12.291 -0.132 1.00 0.00 H new ATOM 163 N PRO A 32 21.796 13.408 -5.028 1.00 0.00 N ATOM 164 CA PRO A 32 21.361 13.796 -6.378 1.00 0.00 C ATOM 165 C PRO A 32 19.847 13.678 -6.609 1.00 0.00 C ATOM 166 O PRO A 32 19.292 14.452 -7.388 1.00 0.00 O ATOM 167 CB PRO A 32 22.136 12.891 -7.344 1.00 0.00 C ATOM 168 CG PRO A 32 22.567 11.702 -6.490 1.00 0.00 C ATOM 169 CD PRO A 32 22.783 12.336 -5.121 1.00 0.00 C ATOM 0 HA PRO A 32 21.571 14.854 -6.535 1.00 0.00 H new ATOM 0 HB2 PRO A 32 21.511 12.574 -8.179 1.00 0.00 H new ATOM 0 HB3 PRO A 32 22.997 13.408 -7.768 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.802 10.926 -6.461 1.00 0.00 H new ATOM 0 HG3 PRO A 32 23.477 11.239 -6.870 1.00 0.00 H new ATOM 0 HD2 PRO A 32 22.645 11.605 -4.324 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.796 12.726 -5.024 1.00 0.00 H new ATOM 177 N LEU A 33 19.164 12.753 -5.918 1.00 0.00 N ATOM 178 CA LEU A 33 17.701 12.652 -5.961 1.00 0.00 C ATOM 179 C LEU A 33 17.072 13.788 -5.141 1.00 0.00 C ATOM 180 O LEU A 33 16.243 14.536 -5.651 1.00 0.00 O ATOM 181 CB LEU A 33 17.217 11.280 -5.434 1.00 0.00 C ATOM 182 CG LEU A 33 17.307 10.086 -6.398 1.00 0.00 C ATOM 183 CD1 LEU A 33 18.731 9.555 -6.544 1.00 0.00 C ATOM 184 CD2 LEU A 33 16.436 8.954 -5.856 1.00 0.00 C ATOM 0 H LEU A 33 19.609 12.059 -5.318 1.00 0.00 H new ATOM 0 HA LEU A 33 17.385 12.742 -7.000 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.794 11.038 -4.542 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.178 11.385 -5.123 1.00 0.00 H new ATOM 0 HG LEU A 33 16.971 10.430 -7.376 1.00 0.00 H new ATOM 0 HD11 LEU A 33 18.736 8.713 -7.236 1.00 0.00 H new ATOM 0 HD12 LEU A 33 19.376 10.345 -6.929 1.00 0.00 H new ATOM 0 HD13 LEU A 33 19.099 9.228 -5.571 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.490 8.099 -6.530 1.00 0.00 H new ATOM 0 HD22 LEU A 33 16.793 8.661 -4.869 1.00 0.00 H new ATOM 0 HD23 LEU A 33 15.403 9.293 -5.782 1.00 0.00 H new ATOM 196 N LEU A 34 17.507 13.960 -3.888 1.00 0.00 N ATOM 197 CA LEU A 34 17.007 14.982 -2.959 1.00 0.00 C ATOM 198 C LEU A 34 17.158 16.404 -3.525 1.00 0.00 C ATOM 199 O LEU A 34 16.286 17.241 -3.299 1.00 0.00 O ATOM 200 CB LEU A 34 17.771 14.812 -1.629 1.00 0.00 C ATOM 201 CG LEU A 34 17.306 15.715 -0.469 1.00 0.00 C ATOM 202 CD1 LEU A 34 15.851 15.461 -0.068 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.181 15.440 0.752 1.00 0.00 C ATOM 0 H LEU A 34 18.237 13.376 -3.480 1.00 0.00 H new ATOM 0 HA LEU A 34 15.937 14.846 -2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.685 13.773 -1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.828 15.003 -1.812 1.00 0.00 H new ATOM 0 HG LEU A 34 17.390 16.746 -0.811 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.579 16.125 0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.200 15.652 -0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.737 14.425 0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.861 16.074 1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.086 14.393 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.221 15.657 0.510 1.00 0.00 H new ATOM 215 N LYS A 35 18.190 16.662 -4.340 1.00 0.00 N ATOM 216 CA LYS A 35 18.369 17.921 -5.075 1.00 0.00 C ATOM 217 C LYS A 35 17.166 18.303 -5.941 1.00 0.00 C ATOM 218 O LYS A 35 16.808 19.473 -5.975 1.00 0.00 O ATOM 219 CB LYS A 35 19.654 17.835 -5.927 1.00 0.00 C ATOM 220 CG LYS A 35 20.386 19.184 -5.961 1.00 0.00 C ATOM 221 CD LYS A 35 21.126 19.463 -4.637 1.00 0.00 C ATOM 222 CE LYS A 35 22.461 18.711 -4.487 1.00 0.00 C ATOM 223 NZ LYS A 35 23.539 19.276 -5.350 1.00 0.00 N ATOM 0 H LYS A 35 18.937 15.989 -4.510 1.00 0.00 H new ATOM 0 HA LYS A 35 18.460 18.716 -4.335 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.314 17.070 -5.519 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.401 17.529 -6.942 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.099 19.191 -6.785 1.00 0.00 H new ATOM 0 HG3 LYS A 35 19.669 19.983 -6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 35 21.315 20.534 -4.558 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.475 19.192 -3.806 1.00 0.00 H new ATOM 0 HE2 LYS A 35 22.779 18.747 -3.445 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.312 17.661 -4.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 24.415 18.734 -5.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.251 19.218 -6.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.703 20.271 -5.094 1.00 0.00 H new ATOM 237 N ILE A 36 16.493 17.335 -6.571 1.00 0.00 N ATOM 238 CA ILE A 36 15.261 17.565 -7.352 1.00 0.00 C ATOM 239 C ILE A 36 14.128 18.043 -6.431 1.00 0.00 C ATOM 240 O ILE A 36 13.468 19.042 -6.695 1.00 0.00 O ATOM 241 CB ILE A 36 14.815 16.274 -8.059 1.00 0.00 C ATOM 242 CG1 ILE A 36 15.934 15.655 -8.908 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.562 16.539 -8.903 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.629 16.596 -9.887 1.00 0.00 C ATOM 0 H ILE A 36 16.786 16.358 -6.556 1.00 0.00 H new ATOM 0 HA ILE A 36 15.477 18.329 -8.099 1.00 0.00 H new ATOM 0 HB ILE A 36 14.573 15.544 -7.287 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.686 15.241 -8.236 1.00 0.00 H new ATOM 0 HG13 ILE A 36 15.516 14.821 -9.471 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.256 15.618 -9.399 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.756 16.889 -8.258 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.782 17.299 -9.653 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.400 16.050 -10.431 1.00 0.00 H new ATOM 0 HD12 ILE A 36 15.898 16.992 -10.592 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.086 17.419 -9.338 1.00 0.00 H new ATOM 256 N LEU A 37 13.922 17.324 -5.324 1.00 0.00 N ATOM 257 CA LEU A 37 12.858 17.562 -4.342 1.00 0.00 C ATOM 258 C LEU A 37 13.031 18.942 -3.693 1.00 0.00 C ATOM 259 O LEU A 37 12.077 19.700 -3.544 1.00 0.00 O ATOM 260 CB LEU A 37 12.905 16.438 -3.280 1.00 0.00 C ATOM 261 CG LEU A 37 12.307 15.075 -3.672 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.857 14.430 -4.941 1.00 0.00 C ATOM 263 CD2 LEU A 37 12.539 14.100 -2.521 1.00 0.00 C ATOM 0 H LEU A 37 14.513 16.530 -5.077 1.00 0.00 H new ATOM 0 HA LEU A 37 11.886 17.550 -4.835 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.947 16.282 -2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.385 16.792 -2.390 1.00 0.00 H new ATOM 0 HG LEU A 37 11.257 15.280 -3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.358 13.476 -5.110 1.00 0.00 H new ATOM 0 HD12 LEU A 37 12.678 15.089 -5.791 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.928 14.264 -4.830 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.122 13.127 -2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.609 14.000 -2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.052 14.476 -1.621 1.00 0.00 H new ATOM 275 N HIS A 38 14.267 19.313 -3.367 1.00 0.00 N ATOM 276 CA HIS A 38 14.606 20.627 -2.819 1.00 0.00 C ATOM 277 C HIS A 38 14.500 21.734 -3.872 1.00 0.00 C ATOM 278 O HIS A 38 13.894 22.764 -3.584 1.00 0.00 O ATOM 279 CB HIS A 38 15.996 20.530 -2.170 1.00 0.00 C ATOM 280 CG HIS A 38 15.984 19.889 -0.795 1.00 0.00 C ATOM 281 ND1 HIS A 38 17.033 19.932 0.130 1.00 0.00 N ATOM 282 CD2 HIS A 38 14.922 19.254 -0.214 1.00 0.00 C ATOM 283 CE1 HIS A 38 16.573 19.327 1.241 1.00 0.00 C ATOM 284 NE2 HIS A 38 15.305 18.914 1.063 1.00 0.00 N ATOM 0 H HIS A 38 15.075 18.700 -3.477 1.00 0.00 H new ATOM 0 HA HIS A 38 13.884 20.912 -2.054 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.653 19.956 -2.823 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.421 21.531 -2.091 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.964 19.057 -0.671 1.00 0.00 H new ATOM 0 HE1 HIS A 38 17.142 19.192 2.149 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.729 18.433 1.754 1.00 0.00 H new ATOM 292 N ALA A 39 14.935 21.489 -5.115 1.00 0.00 N ATOM 293 CA ALA A 39 14.721 22.390 -6.252 1.00 0.00 C ATOM 294 C ALA A 39 13.225 22.645 -6.507 1.00 0.00 C ATOM 295 O ALA A 39 12.847 23.729 -6.958 1.00 0.00 O ATOM 296 CB ALA A 39 15.407 21.796 -7.491 1.00 0.00 C ATOM 0 H ALA A 39 15.453 20.646 -5.361 1.00 0.00 H new ATOM 0 HA ALA A 39 15.162 23.360 -6.023 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.255 22.458 -8.344 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.475 21.690 -7.300 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.979 20.818 -7.710 1.00 0.00 H new ATOM 302 N ALA A 40 12.370 21.677 -6.158 1.00 0.00 N ATOM 303 CA ALA A 40 10.925 21.837 -6.177 1.00 0.00 C ATOM 304 C ALA A 40 10.363 22.600 -4.961 1.00 0.00 C ATOM 305 O ALA A 40 9.288 23.190 -5.075 1.00 0.00 O ATOM 306 CB ALA A 40 10.286 20.449 -6.259 1.00 0.00 C ATOM 0 H ALA A 40 12.673 20.752 -5.852 1.00 0.00 H new ATOM 0 HA ALA A 40 10.679 22.445 -7.048 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.201 20.548 -6.274 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.617 19.949 -7.169 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.584 19.859 -5.392 1.00 0.00 H new ATOM 312 N GLY A 41 11.049 22.586 -3.810 1.00 0.00 N ATOM 313 CA GLY A 41 10.563 23.126 -2.534 1.00 0.00 C ATOM 314 C GLY A 41 9.864 22.083 -1.649 1.00 0.00 C ATOM 315 O GLY A 41 8.718 22.291 -1.243 1.00 0.00 O ATOM 0 H GLY A 41 11.985 22.187 -3.740 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.404 23.550 -1.985 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.869 23.942 -2.736 1.00 0.00 H new ATOM 319 N ALA A 42 10.527 20.953 -1.367 1.00 0.00 N ATOM 320 CA ALA A 42 10.020 19.917 -0.455 1.00 0.00 C ATOM 321 C ALA A 42 9.923 20.378 1.015 1.00 0.00 C ATOM 322 O ALA A 42 10.590 21.326 1.441 1.00 0.00 O ATOM 323 CB ALA A 42 10.865 18.648 -0.593 1.00 0.00 C ATOM 0 H ALA A 42 11.438 20.730 -1.768 1.00 0.00 H new ATOM 0 HA ALA A 42 8.994 19.703 -0.753 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.486 17.883 0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.810 18.284 -1.619 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.902 18.872 -0.343 1.00 0.00 H new ATOM 329 N GLN A 43 9.108 19.666 1.805 1.00 0.00 N ATOM 330 CA GLN A 43 8.743 20.024 3.186 1.00 0.00 C ATOM 331 C GLN A 43 9.602 19.303 4.250 1.00 0.00 C ATOM 332 O GLN A 43 9.157 19.044 5.371 1.00 0.00 O ATOM 333 CB GLN A 43 7.221 19.829 3.354 1.00 0.00 C ATOM 334 CG GLN A 43 6.581 20.686 4.464 1.00 0.00 C ATOM 335 CD GLN A 43 6.582 22.198 4.203 1.00 0.00 C ATOM 336 OE1 GLN A 43 6.910 22.698 3.134 1.00 0.00 O ATOM 337 NE2 GLN A 43 6.201 22.996 5.180 1.00 0.00 N ATOM 0 H GLN A 43 8.671 18.799 1.493 1.00 0.00 H new ATOM 0 HA GLN A 43 8.972 21.075 3.363 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.732 20.060 2.408 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.024 18.778 3.566 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.551 20.358 4.606 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.108 20.494 5.399 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.923 22.604 6.080 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.184 24.006 5.037 1.00 0.00 H new ATOM 346 N GLY A 44 10.836 18.942 3.889 1.00 0.00 N ATOM 347 CA GLY A 44 11.750 18.162 4.730 1.00 0.00 C ATOM 348 C GLY A 44 12.837 17.429 3.944 1.00 0.00 C ATOM 349 O GLY A 44 13.211 17.819 2.835 1.00 0.00 O ATOM 0 H GLY A 44 11.237 19.189 2.984 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.223 18.828 5.451 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.173 17.434 5.300 1.00 0.00 H new ATOM 353 N GLU A 45 13.333 16.344 4.538 1.00 0.00 N ATOM 354 CA GLU A 45 14.305 15.413 3.941 1.00 0.00 C ATOM 355 C GLU A 45 13.892 13.931 4.063 1.00 0.00 C ATOM 356 O GLU A 45 14.517 13.085 3.435 1.00 0.00 O ATOM 357 CB GLU A 45 15.692 15.645 4.569 1.00 0.00 C ATOM 358 CG GLU A 45 16.282 17.019 4.227 1.00 0.00 C ATOM 359 CD GLU A 45 17.701 17.168 4.804 1.00 0.00 C ATOM 360 OE1 GLU A 45 18.660 16.636 4.193 1.00 0.00 O ATOM 361 OE2 GLU A 45 17.869 17.814 5.867 1.00 0.00 O ATOM 0 H GLU A 45 13.062 16.074 5.484 1.00 0.00 H new ATOM 0 HA GLU A 45 14.338 15.625 2.872 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.615 15.548 5.652 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.375 14.867 4.227 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.310 17.148 3.145 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.639 17.804 4.625 1.00 0.00 H new ATOM 368 N MET A 46 12.847 13.602 4.834 1.00 0.00 N ATOM 369 CA MET A 46 12.380 12.233 5.129 1.00 0.00 C ATOM 370 C MET A 46 10.905 12.094 4.714 1.00 0.00 C ATOM 371 O MET A 46 10.048 12.756 5.297 1.00 0.00 O ATOM 372 CB MET A 46 12.530 11.955 6.637 1.00 0.00 C ATOM 373 CG MET A 46 13.957 11.585 7.072 1.00 0.00 C ATOM 374 SD MET A 46 15.210 12.903 7.070 1.00 0.00 S ATOM 375 CE MET A 46 14.567 13.995 8.370 1.00 0.00 C ATOM 0 H MET A 46 12.276 14.312 5.292 1.00 0.00 H new ATOM 0 HA MET A 46 12.978 11.513 4.570 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.211 12.838 7.191 1.00 0.00 H new ATOM 0 HB3 MET A 46 11.856 11.144 6.914 1.00 0.00 H new ATOM 0 HG2 MET A 46 13.904 11.174 8.080 1.00 0.00 H new ATOM 0 HG3 MET A 46 14.310 10.786 6.420 1.00 0.00 H new ATOM 0 HE1 MET A 46 15.306 14.764 8.598 1.00 0.00 H new ATOM 0 HE2 MET A 46 13.646 14.467 8.026 1.00 0.00 H new ATOM 0 HE3 MET A 46 14.362 13.411 9.267 1.00 0.00 H new ATOM 385 N PHE A 47 10.596 11.248 3.722 1.00 0.00 N ATOM 386 CA PHE A 47 9.242 11.130 3.131 1.00 0.00 C ATOM 387 C PHE A 47 8.952 9.733 2.531 1.00 0.00 C ATOM 388 O PHE A 47 9.851 8.914 2.337 1.00 0.00 O ATOM 389 CB PHE A 47 9.002 12.216 2.053 1.00 0.00 C ATOM 390 CG PHE A 47 10.101 13.236 1.814 1.00 0.00 C ATOM 391 CD1 PHE A 47 11.369 12.808 1.380 1.00 0.00 C ATOM 392 CD2 PHE A 47 9.850 14.609 1.998 1.00 0.00 C ATOM 393 CE1 PHE A 47 12.371 13.748 1.113 1.00 0.00 C ATOM 394 CE2 PHE A 47 10.845 15.553 1.694 1.00 0.00 C ATOM 395 CZ PHE A 47 12.105 15.123 1.239 1.00 0.00 C ATOM 0 H PHE A 47 11.278 10.619 3.299 1.00 0.00 H new ATOM 0 HA PHE A 47 8.550 11.277 3.960 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.804 11.711 1.108 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.095 12.758 2.321 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.569 11.754 1.253 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.892 14.937 2.373 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.353 13.416 0.809 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.643 16.608 1.809 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.866 15.847 0.987 1.00 0.00 H new ATOM 405 N THR A 48 7.680 9.453 2.230 1.00 0.00 N ATOM 406 CA THR A 48 7.211 8.250 1.504 1.00 0.00 C ATOM 407 C THR A 48 7.406 8.369 -0.011 1.00 0.00 C ATOM 408 O THR A 48 7.580 9.469 -0.519 1.00 0.00 O ATOM 409 CB THR A 48 5.715 8.034 1.773 1.00 0.00 C ATOM 410 OG1 THR A 48 5.066 9.250 1.495 1.00 0.00 O ATOM 411 CG2 THR A 48 5.435 7.668 3.220 1.00 0.00 C ATOM 0 H THR A 48 6.915 10.075 2.491 1.00 0.00 H new ATOM 0 HA THR A 48 7.805 7.411 1.866 1.00 0.00 H new ATOM 0 HB THR A 48 5.362 7.212 1.150 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.137 9.203 1.803 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.363 7.526 3.359 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.959 6.745 3.470 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.782 8.470 3.872 1.00 0.00 H new ATOM 419 N VAL A 49 7.273 7.259 -0.756 1.00 0.00 N ATOM 420 CA VAL A 49 7.306 7.177 -2.236 1.00 0.00 C ATOM 421 C VAL A 49 6.317 8.164 -2.868 1.00 0.00 C ATOM 422 O VAL A 49 6.639 8.901 -3.803 1.00 0.00 O ATOM 423 CB VAL A 49 7.078 5.726 -2.711 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.659 5.181 -2.520 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.483 5.552 -4.179 1.00 0.00 C ATOM 0 H VAL A 49 7.132 6.345 -0.326 1.00 0.00 H new ATOM 0 HA VAL A 49 8.299 7.471 -2.575 1.00 0.00 H new ATOM 0 HB VAL A 49 7.720 5.138 -2.055 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.611 4.156 -2.887 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.401 5.200 -1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.954 5.799 -3.076 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.311 4.520 -4.484 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.887 6.219 -4.802 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.539 5.793 -4.296 1.00 0.00 H new ATOM 435 N LYS A 50 5.123 8.226 -2.271 1.00 0.00 N ATOM 436 CA LYS A 50 4.006 9.053 -2.697 1.00 0.00 C ATOM 437 C LYS A 50 4.213 10.547 -2.413 1.00 0.00 C ATOM 438 O LYS A 50 3.786 11.378 -3.210 1.00 0.00 O ATOM 439 CB LYS A 50 2.743 8.438 -2.079 1.00 0.00 C ATOM 440 CG LYS A 50 2.543 8.696 -0.579 1.00 0.00 C ATOM 441 CD LYS A 50 1.269 8.019 -0.059 1.00 0.00 C ATOM 442 CE LYS A 50 1.084 8.316 1.436 1.00 0.00 C ATOM 443 NZ LYS A 50 -0.168 7.707 1.965 1.00 0.00 N ATOM 0 H LYS A 50 4.906 7.674 -1.441 1.00 0.00 H new ATOM 0 HA LYS A 50 3.907 9.048 -3.782 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.875 8.822 -2.614 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.768 7.361 -2.244 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.406 8.324 -0.026 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.486 9.769 -0.397 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.404 8.376 -0.618 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.329 6.942 -0.219 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.939 7.932 1.992 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.059 9.394 1.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.261 7.928 2.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.986 8.092 1.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.133 6.675 1.837 1.00 0.00 H new ATOM 457 N GLU A 51 4.937 10.891 -1.343 1.00 0.00 N ATOM 458 CA GLU A 51 5.367 12.271 -1.081 1.00 0.00 C ATOM 459 C GLU A 51 6.569 12.667 -1.952 1.00 0.00 C ATOM 460 O GLU A 51 6.522 13.715 -2.595 1.00 0.00 O ATOM 461 CB GLU A 51 5.676 12.467 0.411 1.00 0.00 C ATOM 462 CG GLU A 51 4.432 12.428 1.309 1.00 0.00 C ATOM 463 CD GLU A 51 3.546 13.679 1.138 1.00 0.00 C ATOM 464 OE1 GLU A 51 2.639 13.679 0.270 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.729 14.667 1.891 1.00 0.00 O ATOM 0 H GLU A 51 5.242 10.223 -0.635 1.00 0.00 H new ATOM 0 HA GLU A 51 4.543 12.932 -1.350 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.371 11.692 0.734 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.181 13.424 0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.848 11.537 1.078 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.741 12.344 2.351 1.00 0.00 H new ATOM 472 N VAL A 52 7.615 11.831 -2.060 1.00 0.00 N ATOM 473 CA VAL A 52 8.795 12.143 -2.884 1.00 0.00 C ATOM 474 C VAL A 52 8.439 12.396 -4.344 1.00 0.00 C ATOM 475 O VAL A 52 8.852 13.399 -4.926 1.00 0.00 O ATOM 476 CB VAL A 52 9.916 11.095 -2.806 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.571 11.073 -1.425 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.583 9.679 -3.224 1.00 0.00 C ATOM 0 H VAL A 52 7.667 10.930 -1.585 1.00 0.00 H new ATOM 0 HA VAL A 52 9.181 13.063 -2.445 1.00 0.00 H new ATOM 0 HB VAL A 52 10.607 11.450 -3.570 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.359 10.320 -1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.000 12.052 -1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.822 10.832 -0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.467 9.051 -3.117 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.784 9.291 -2.592 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.258 9.674 -4.264 1.00 0.00 H new ATOM 488 N MET A 53 7.634 11.507 -4.925 1.00 0.00 N ATOM 489 CA MET A 53 7.189 11.645 -6.314 1.00 0.00 C ATOM 490 C MET A 53 6.241 12.844 -6.534 1.00 0.00 C ATOM 491 O MET A 53 6.252 13.424 -7.618 1.00 0.00 O ATOM 492 CB MET A 53 6.673 10.304 -6.863 1.00 0.00 C ATOM 493 CG MET A 53 5.220 9.959 -6.507 1.00 0.00 C ATOM 494 SD MET A 53 3.936 10.795 -7.486 1.00 0.00 S ATOM 495 CE MET A 53 4.209 10.049 -9.119 1.00 0.00 C ATOM 0 H MET A 53 7.274 10.678 -4.453 1.00 0.00 H new ATOM 0 HA MET A 53 8.059 11.901 -6.919 1.00 0.00 H new ATOM 0 HB2 MET A 53 6.770 10.314 -7.949 1.00 0.00 H new ATOM 0 HB3 MET A 53 7.318 9.507 -6.493 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.087 8.883 -6.615 1.00 0.00 H new ATOM 0 HG3 MET A 53 5.059 10.197 -5.456 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.349 10.249 -9.759 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.104 10.478 -9.570 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.338 8.972 -9.010 1.00 0.00 H new ATOM 505 N HIS A 54 5.505 13.311 -5.514 1.00 0.00 N ATOM 506 CA HIS A 54 4.656 14.511 -5.629 1.00 0.00 C ATOM 507 C HIS A 54 5.484 15.777 -5.877 1.00 0.00 C ATOM 508 O HIS A 54 5.101 16.627 -6.684 1.00 0.00 O ATOM 509 CB HIS A 54 3.794 14.680 -4.372 1.00 0.00 C ATOM 510 CG HIS A 54 2.882 15.882 -4.439 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.669 15.948 -5.133 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.135 17.098 -3.871 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.220 17.205 -4.965 1.00 0.00 C ATOM 514 NE2 HIS A 54 2.079 17.915 -4.212 1.00 0.00 N ATOM 0 H HIS A 54 5.480 12.873 -4.593 1.00 0.00 H new ATOM 0 HA HIS A 54 4.006 14.368 -6.492 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.193 13.782 -4.227 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.444 14.772 -3.502 1.00 0.00 H new ATOM 0 HD2 HIS A 54 3.993 17.366 -3.273 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.299 17.590 -5.377 1.00 0.00 H new ATOM 0 HE2 HIS A 54 1.968 18.892 -3.940 1.00 0.00 H new ATOM 522 N TYR A 55 6.664 15.872 -5.255 1.00 0.00 N ATOM 523 CA TYR A 55 7.611 16.956 -5.530 1.00 0.00 C ATOM 524 C TYR A 55 8.119 16.948 -6.979 1.00 0.00 C ATOM 525 O TYR A 55 8.434 18.013 -7.496 1.00 0.00 O ATOM 526 CB TYR A 55 8.780 16.943 -4.536 1.00 0.00 C ATOM 527 CG TYR A 55 8.362 16.993 -3.079 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.571 18.055 -2.599 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.732 15.954 -2.209 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.090 18.040 -1.275 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.279 15.946 -0.878 1.00 0.00 C ATOM 532 CZ TYR A 55 7.444 16.981 -0.409 1.00 0.00 C ATOM 533 OH TYR A 55 7.006 16.966 0.880 1.00 0.00 O ATOM 0 H TYR A 55 6.987 15.206 -4.553 1.00 0.00 H new ATOM 0 HA TYR A 55 7.060 17.887 -5.396 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.372 16.043 -4.701 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.429 17.794 -4.745 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.332 18.884 -3.249 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.368 15.157 -2.565 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.452 18.837 -0.922 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.571 15.146 -0.214 1.00 0.00 H new ATOM 0 HH TYR A 55 7.344 16.164 1.331 1.00 0.00 H new ATOM 543 N LEU A 56 8.151 15.801 -7.672 1.00 0.00 N ATOM 544 CA LEU A 56 8.445 15.764 -9.113 1.00 0.00 C ATOM 545 C LEU A 56 7.313 16.423 -9.910 1.00 0.00 C ATOM 546 O LEU A 56 7.572 17.264 -10.765 1.00 0.00 O ATOM 547 CB LEU A 56 8.658 14.324 -9.614 1.00 0.00 C ATOM 548 CG LEU A 56 9.613 13.461 -8.784 1.00 0.00 C ATOM 549 CD1 LEU A 56 9.649 12.042 -9.337 1.00 0.00 C ATOM 550 CD2 LEU A 56 11.035 14.011 -8.764 1.00 0.00 C ATOM 0 H LEU A 56 7.977 14.885 -7.258 1.00 0.00 H new ATOM 0 HA LEU A 56 9.370 16.320 -9.268 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.689 13.826 -9.652 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.034 14.367 -10.636 1.00 0.00 H new ATOM 0 HG LEU A 56 9.232 13.469 -7.763 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.331 11.436 -8.740 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.649 11.610 -9.296 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.993 12.063 -10.371 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.668 13.360 -8.161 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.423 14.054 -9.782 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.032 15.013 -8.334 1.00 0.00 H new ATOM 562 N GLY A 57 6.058 16.107 -9.579 1.00 0.00 N ATOM 563 CA GLY A 57 4.885 16.734 -10.190 1.00 0.00 C ATOM 564 C GLY A 57 4.886 18.256 -10.024 1.00 0.00 C ATOM 565 O GLY A 57 4.779 18.988 -11.012 1.00 0.00 O ATOM 0 H GLY A 57 5.827 15.405 -8.876 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.855 16.487 -11.251 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.981 16.323 -9.741 1.00 0.00 H new ATOM 569 N GLN A 58 5.145 18.755 -8.807 1.00 0.00 N ATOM 570 CA GLN A 58 5.250 20.201 -8.576 1.00 0.00 C ATOM 571 C GLN A 58 6.491 20.809 -9.250 1.00 0.00 C ATOM 572 O GLN A 58 6.388 21.895 -9.815 1.00 0.00 O ATOM 573 CB GLN A 58 5.127 20.551 -7.079 1.00 0.00 C ATOM 574 CG GLN A 58 6.460 20.735 -6.330 1.00 0.00 C ATOM 575 CD GLN A 58 6.278 20.925 -4.819 1.00 0.00 C ATOM 576 OE1 GLN A 58 5.359 20.415 -4.193 1.00 0.00 O ATOM 577 NE2 GLN A 58 7.175 21.627 -4.161 1.00 0.00 N ATOM 0 H GLN A 58 5.285 18.183 -7.974 1.00 0.00 H new ATOM 0 HA GLN A 58 4.397 20.673 -9.064 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.548 21.469 -6.985 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.558 19.763 -6.585 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.093 19.866 -6.507 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.984 21.599 -6.739 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.950 22.062 -4.662 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.095 21.737 -3.150 1.00 0.00 H new ATOM 586 N TYR A 59 7.639 20.114 -9.263 1.00 0.00 N ATOM 587 CA TYR A 59 8.845 20.560 -9.965 1.00 0.00 C ATOM 588 C TYR A 59 8.513 20.806 -11.437 1.00 0.00 C ATOM 589 O TYR A 59 8.719 21.905 -11.933 1.00 0.00 O ATOM 590 CB TYR A 59 9.952 19.499 -9.832 1.00 0.00 C ATOM 591 CG TYR A 59 11.272 19.773 -10.528 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.392 19.552 -11.914 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.411 20.124 -9.777 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.648 19.645 -12.540 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.672 20.198 -10.401 1.00 0.00 C ATOM 596 CZ TYR A 59 13.796 19.934 -11.779 1.00 0.00 C ATOM 597 OH TYR A 59 15.023 19.933 -12.366 1.00 0.00 O ATOM 0 H TYR A 59 7.754 19.222 -8.783 1.00 0.00 H new ATOM 0 HA TYR A 59 9.203 21.489 -9.522 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.155 19.356 -8.771 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.561 18.555 -10.212 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.516 19.310 -12.498 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.318 20.337 -8.722 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.732 19.494 -13.606 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.546 20.458 -9.821 1.00 0.00 H new ATOM 0 HH TYR A 59 15.705 20.154 -11.698 1.00 0.00 H new ATOM 607 N ILE A 60 7.914 19.826 -12.121 1.00 0.00 N ATOM 608 CA ILE A 60 7.541 19.923 -13.541 1.00 0.00 C ATOM 609 C ILE A 60 6.527 21.048 -13.761 1.00 0.00 C ATOM 610 O ILE A 60 6.672 21.815 -14.708 1.00 0.00 O ATOM 611 CB ILE A 60 6.972 18.574 -14.025 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.007 17.435 -13.927 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.462 18.659 -15.473 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.306 16.090 -13.733 1.00 0.00 C ATOM 0 H ILE A 60 7.670 18.929 -11.700 1.00 0.00 H new ATOM 0 HA ILE A 60 8.432 20.159 -14.122 1.00 0.00 H new ATOM 0 HB ILE A 60 6.138 18.349 -13.361 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.614 17.408 -14.832 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.685 17.622 -13.094 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.069 17.689 -15.778 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.672 19.407 -15.537 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.283 18.941 -16.132 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.051 15.298 -13.666 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.719 16.115 -12.815 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.647 15.898 -14.580 1.00 0.00 H new ATOM 626 N MET A 61 5.531 21.189 -12.885 1.00 0.00 N ATOM 627 CA MET A 61 4.511 22.241 -12.980 1.00 0.00 C ATOM 628 C MET A 61 5.113 23.656 -12.882 1.00 0.00 C ATOM 629 O MET A 61 4.699 24.564 -13.603 1.00 0.00 O ATOM 630 CB MET A 61 3.461 21.975 -11.889 1.00 0.00 C ATOM 631 CG MET A 61 2.170 22.782 -12.054 1.00 0.00 C ATOM 632 SD MET A 61 1.195 22.369 -13.530 1.00 0.00 S ATOM 633 CE MET A 61 1.467 23.863 -14.522 1.00 0.00 C ATOM 0 H MET A 61 5.406 20.572 -12.082 1.00 0.00 H new ATOM 0 HA MET A 61 4.039 22.207 -13.962 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.215 20.913 -11.887 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.897 22.203 -10.916 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.548 22.631 -11.171 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.423 23.842 -12.088 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.850 23.821 -15.420 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.197 24.742 -13.937 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.517 23.925 -14.806 1.00 0.00 H new ATOM 643 N VAL A 62 6.134 23.835 -12.041 1.00 0.00 N ATOM 644 CA VAL A 62 6.864 25.106 -11.860 1.00 0.00 C ATOM 645 C VAL A 62 7.863 25.369 -12.974 1.00 0.00 C ATOM 646 O VAL A 62 7.942 26.473 -13.513 1.00 0.00 O ATOM 647 CB VAL A 62 7.549 25.123 -10.504 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.509 26.287 -10.238 1.00 0.00 C ATOM 649 CG2 VAL A 62 6.494 25.104 -9.409 1.00 0.00 C ATOM 0 H VAL A 62 6.490 23.085 -11.449 1.00 0.00 H new ATOM 0 HA VAL A 62 6.132 25.912 -11.904 1.00 0.00 H new ATOM 0 HB VAL A 62 8.176 24.232 -10.505 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.934 26.187 -9.239 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.311 26.273 -10.976 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.966 27.230 -10.309 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.981 25.116 -8.434 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.854 25.981 -9.506 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.890 24.201 -9.501 1.00 0.00 H new ATOM 659 N LYS A 63 8.610 24.323 -13.323 1.00 0.00 N ATOM 660 CA LYS A 63 9.606 24.303 -14.406 1.00 0.00 C ATOM 661 C LYS A 63 8.988 24.233 -15.817 1.00 0.00 C ATOM 662 O LYS A 63 9.729 24.395 -16.783 1.00 0.00 O ATOM 663 CB LYS A 63 10.578 23.130 -14.189 1.00 0.00 C ATOM 664 CG LYS A 63 11.440 23.192 -12.921 1.00 0.00 C ATOM 665 CD LYS A 63 12.411 24.378 -12.871 1.00 0.00 C ATOM 666 CE LYS A 63 13.542 24.037 -11.891 1.00 0.00 C ATOM 667 NZ LYS A 63 14.734 23.498 -12.606 1.00 0.00 N ATOM 0 H LYS A 63 8.539 23.426 -12.842 1.00 0.00 H new ATOM 0 HA LYS A 63 10.139 25.253 -14.361 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.000 22.206 -14.166 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.241 23.070 -15.052 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.783 23.239 -12.052 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.011 22.267 -12.839 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.816 24.578 -13.863 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.891 25.281 -12.551 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.823 24.930 -11.332 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.189 23.305 -11.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.250 22.848 -11.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.426 22.986 -13.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.358 24.283 -12.881 1.00 0.00 H new ATOM 681 N GLN A 64 7.671 23.994 -15.934 1.00 0.00 N ATOM 682 CA GLN A 64 6.869 23.680 -17.126 1.00 0.00 C ATOM 683 C GLN A 64 7.624 22.774 -18.105 1.00 0.00 C ATOM 684 O GLN A 64 7.883 23.132 -19.256 1.00 0.00 O ATOM 685 CB GLN A 64 6.177 24.914 -17.728 1.00 0.00 C ATOM 686 CG GLN A 64 7.153 26.042 -18.057 1.00 0.00 C ATOM 687 CD GLN A 64 7.125 27.176 -17.032 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.126 27.857 -16.833 1.00 0.00 O ATOM 689 NE2 GLN A 64 8.213 27.425 -16.335 1.00 0.00 N ATOM 0 H GLN A 64 7.079 24.019 -15.104 1.00 0.00 H new ATOM 0 HA GLN A 64 6.024 23.069 -16.810 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.649 24.621 -18.635 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.427 25.282 -17.027 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.163 25.636 -18.113 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.916 26.444 -19.042 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.054 26.869 -16.487 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.215 28.174 -15.643 1.00 0.00 H new ATOM 698 N LEU A 65 7.983 21.577 -17.620 1.00 0.00 N ATOM 699 CA LEU A 65 8.729 20.577 -18.379 1.00 0.00 C ATOM 700 C LEU A 65 7.758 19.620 -19.068 1.00 0.00 C ATOM 701 O LEU A 65 7.980 18.419 -19.069 1.00 0.00 O ATOM 702 CB LEU A 65 9.792 19.849 -17.521 1.00 0.00 C ATOM 703 CG LEU A 65 10.886 20.731 -16.910 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.851 19.870 -16.105 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.684 21.523 -17.945 1.00 0.00 C ATOM 0 H LEU A 65 7.757 21.276 -16.672 1.00 0.00 H new ATOM 0 HA LEU A 65 9.300 21.089 -19.153 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.281 19.327 -16.712 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.270 19.089 -18.139 1.00 0.00 H new ATOM 0 HG LEU A 65 10.373 21.453 -16.275 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.627 20.501 -15.672 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.308 19.364 -15.307 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.309 19.128 -16.759 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.440 22.124 -17.440 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.170 20.833 -18.635 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.012 22.177 -18.500 1.00 0.00 H new ATOM 717 N TYR A 66 6.645 20.128 -19.594 1.00 0.00 N ATOM 718 CA TYR A 66 5.681 19.337 -20.369 1.00 0.00 C ATOM 719 C TYR A 66 5.475 19.842 -21.808 1.00 0.00 C ATOM 720 O TYR A 66 5.881 20.952 -22.164 1.00 0.00 O ATOM 721 CB TYR A 66 4.355 19.205 -19.615 1.00 0.00 C ATOM 722 CG TYR A 66 3.808 20.521 -19.114 1.00 0.00 C ATOM 723 CD1 TYR A 66 3.228 21.445 -19.999 1.00 0.00 C ATOM 724 CD2 TYR A 66 3.953 20.835 -17.756 1.00 0.00 C ATOM 725 CE1 TYR A 66 2.795 22.698 -19.527 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.515 22.083 -17.271 1.00 0.00 C ATOM 727 CZ TYR A 66 2.938 23.020 -18.158 1.00 0.00 C ATOM 728 OH TYR A 66 2.539 24.235 -17.689 1.00 0.00 O ATOM 0 H TYR A 66 6.381 21.108 -19.495 1.00 0.00 H new ATOM 0 HA TYR A 66 6.118 18.344 -20.477 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.618 18.742 -20.271 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.494 18.533 -18.768 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.114 21.193 -21.043 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.401 20.120 -17.081 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.355 23.411 -20.208 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.620 22.323 -16.223 1.00 0.00 H new ATOM 0 HH TYR A 66 1.791 24.565 -18.230 1.00 0.00 H new ATOM 738 N ASP A 67 4.822 19.030 -22.644 1.00 0.00 N ATOM 739 CA ASP A 67 4.437 19.401 -24.011 1.00 0.00 C ATOM 740 C ASP A 67 3.318 20.464 -24.022 1.00 0.00 C ATOM 741 O ASP A 67 2.333 20.352 -23.289 1.00 0.00 O ATOM 742 CB ASP A 67 3.998 18.144 -24.779 1.00 0.00 C ATOM 743 CG ASP A 67 3.998 18.345 -26.302 1.00 0.00 C ATOM 744 OD1 ASP A 67 3.264 19.236 -26.792 1.00 0.00 O ATOM 745 OD2 ASP A 67 4.760 17.649 -27.011 1.00 0.00 O ATOM 0 H ASP A 67 4.542 18.083 -22.388 1.00 0.00 H new ATOM 0 HA ASP A 67 5.304 19.843 -24.503 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.664 17.319 -24.526 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.998 17.857 -24.455 1.00 0.00 H new ATOM 750 N GLN A 68 3.431 21.464 -24.902 1.00 0.00 N ATOM 751 CA GLN A 68 2.390 22.461 -25.187 1.00 0.00 C ATOM 752 C GLN A 68 0.992 21.887 -25.470 1.00 0.00 C ATOM 753 O GLN A 68 -0.023 22.378 -24.974 1.00 0.00 O ATOM 754 CB GLN A 68 2.792 23.378 -26.336 1.00 0.00 C ATOM 755 CG GLN A 68 3.378 22.718 -27.566 1.00 0.00 C ATOM 756 CD GLN A 68 4.866 22.399 -27.504 1.00 0.00 C ATOM 757 OE1 GLN A 68 5.734 23.260 -27.548 1.00 0.00 O ATOM 758 NE2 GLN A 68 5.197 21.133 -27.385 1.00 0.00 N ATOM 0 H GLN A 68 4.276 21.608 -25.454 1.00 0.00 H new ATOM 0 HA GLN A 68 2.311 23.024 -24.257 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.912 23.945 -26.642 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.519 24.097 -25.958 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.835 21.791 -27.751 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.201 23.368 -28.423 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.471 20.417 -27.349 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.180 20.866 -27.329 1.00 0.00 H new ATOM 767 N GLN A 69 0.960 20.854 -26.301 1.00 0.00 N ATOM 768 CA GLN A 69 -0.240 20.174 -26.785 1.00 0.00 C ATOM 769 C GLN A 69 -0.678 19.009 -25.878 1.00 0.00 C ATOM 770 O GLN A 69 -1.821 18.559 -25.962 1.00 0.00 O ATOM 771 CB GLN A 69 0.012 19.709 -28.228 1.00 0.00 C ATOM 772 CG GLN A 69 0.033 20.892 -29.212 1.00 0.00 C ATOM 773 CD GLN A 69 0.654 20.508 -30.552 1.00 0.00 C ATOM 774 OE1 GLN A 69 -0.023 20.204 -31.527 1.00 0.00 O ATOM 775 NE2 GLN A 69 1.968 20.502 -30.648 1.00 0.00 N ATOM 0 H GLN A 69 1.815 20.444 -26.677 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.071 20.879 -26.763 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.962 19.177 -28.278 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.764 19.003 -28.524 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.984 21.249 -29.373 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.595 21.718 -28.775 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.539 20.754 -29.841 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.414 20.246 -31.529 1.00 0.00 H new ATOM 784 N GLU A 70 0.214 18.533 -25.001 1.00 0.00 N ATOM 785 CA GLU A 70 -0.018 17.380 -24.108 1.00 0.00 C ATOM 786 C GLU A 70 0.637 17.563 -22.724 1.00 0.00 C ATOM 787 O GLU A 70 1.733 17.077 -22.456 1.00 0.00 O ATOM 788 CB GLU A 70 0.461 16.070 -24.769 1.00 0.00 C ATOM 789 CG GLU A 70 -0.439 15.595 -25.916 1.00 0.00 C ATOM 790 CD GLU A 70 -0.136 14.129 -26.280 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.662 13.215 -25.596 1.00 0.00 O ATOM 792 OE2 GLU A 70 0.613 13.881 -27.258 1.00 0.00 O ATOM 0 H GLU A 70 1.140 18.945 -24.886 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.094 17.319 -23.945 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.473 16.213 -25.148 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.512 15.288 -24.011 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.485 15.694 -25.627 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.288 16.230 -26.789 1.00 0.00 H new ATOM 799 N GLN A 71 -0.061 18.236 -21.807 1.00 0.00 N ATOM 800 CA GLN A 71 0.429 18.562 -20.459 1.00 0.00 C ATOM 801 C GLN A 71 0.839 17.343 -19.607 1.00 0.00 C ATOM 802 O GLN A 71 1.690 17.460 -18.726 1.00 0.00 O ATOM 803 CB GLN A 71 -0.689 19.335 -19.749 1.00 0.00 C ATOM 804 CG GLN A 71 -0.659 20.847 -20.019 1.00 0.00 C ATOM 805 CD GLN A 71 -1.098 21.264 -21.421 1.00 0.00 C ATOM 806 OE1 GLN A 71 -2.233 21.661 -21.651 1.00 0.00 O ATOM 807 NE2 GLN A 71 -0.239 21.210 -22.416 1.00 0.00 N ATOM 0 H GLN A 71 -1.006 18.579 -21.982 1.00 0.00 H new ATOM 0 HA GLN A 71 1.343 19.145 -20.572 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.653 18.937 -20.066 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.612 19.165 -18.675 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.301 21.343 -19.291 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.354 21.211 -19.849 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.713 20.883 -22.251 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.525 21.495 -23.353 1.00 0.00 H new ATOM 816 N HIS A 72 0.258 16.170 -19.865 1.00 0.00 N ATOM 817 CA HIS A 72 0.578 14.889 -19.224 1.00 0.00 C ATOM 818 C HIS A 72 1.806 14.172 -19.832 1.00 0.00 C ATOM 819 O HIS A 72 2.244 13.157 -19.291 1.00 0.00 O ATOM 820 CB HIS A 72 -0.698 14.028 -19.289 1.00 0.00 C ATOM 821 CG HIS A 72 -1.233 13.939 -20.688 1.00 0.00 C ATOM 822 ND1 HIS A 72 -2.048 14.891 -21.296 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.768 13.075 -21.628 1.00 0.00 C ATOM 824 CE1 HIS A 72 -2.061 14.584 -22.599 1.00 0.00 C ATOM 825 NE2 HIS A 72 -1.305 13.493 -22.832 1.00 0.00 N ATOM 0 H HIS A 72 -0.484 16.081 -20.559 1.00 0.00 H new ATOM 0 HA HIS A 72 0.877 15.066 -18.191 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.481 13.027 -18.917 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.459 14.453 -18.634 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.112 12.232 -21.467 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.601 15.133 -23.356 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -1.155 13.052 -23.739 1.00 0.00 H new ATOM 833 N MET A 73 2.380 14.676 -20.930 1.00 0.00 N ATOM 834 CA MET A 73 3.654 14.231 -21.510 1.00 0.00 C ATOM 835 C MET A 73 4.779 15.159 -21.037 1.00 0.00 C ATOM 836 O MET A 73 4.714 16.375 -21.228 1.00 0.00 O ATOM 837 CB MET A 73 3.588 14.219 -23.046 1.00 0.00 C ATOM 838 CG MET A 73 2.554 13.238 -23.613 1.00 0.00 C ATOM 839 SD MET A 73 2.796 11.482 -23.222 1.00 0.00 S ATOM 840 CE MET A 73 4.385 11.155 -24.037 1.00 0.00 C ATOM 0 H MET A 73 1.953 15.435 -21.461 1.00 0.00 H new ATOM 0 HA MET A 73 3.854 13.213 -21.176 1.00 0.00 H new ATOM 0 HB2 MET A 73 3.354 15.224 -23.398 1.00 0.00 H new ATOM 0 HB3 MET A 73 4.572 13.964 -23.441 1.00 0.00 H new ATOM 0 HG2 MET A 73 1.569 13.535 -23.251 1.00 0.00 H new ATOM 0 HG3 MET A 73 2.541 13.346 -24.698 1.00 0.00 H new ATOM 0 HE1 MET A 73 4.605 10.088 -23.991 1.00 0.00 H new ATOM 0 HE2 MET A 73 4.331 11.470 -25.079 1.00 0.00 H new ATOM 0 HE3 MET A 73 5.175 11.710 -23.531 1.00 0.00 H new ATOM 850 N VAL A 74 5.815 14.591 -20.419 1.00 0.00 N ATOM 851 CA VAL A 74 6.873 15.332 -19.717 1.00 0.00 C ATOM 852 C VAL A 74 8.181 15.263 -20.527 1.00 0.00 C ATOM 853 O VAL A 74 8.584 14.194 -20.988 1.00 0.00 O ATOM 854 CB VAL A 74 7.075 14.765 -18.295 1.00 0.00 C ATOM 855 CG1 VAL A 74 7.968 15.701 -17.481 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.753 14.617 -17.523 1.00 0.00 C ATOM 0 H VAL A 74 5.948 13.580 -20.390 1.00 0.00 H new ATOM 0 HA VAL A 74 6.576 16.377 -19.623 1.00 0.00 H new ATOM 0 HB VAL A 74 7.527 13.781 -18.422 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.105 15.293 -16.479 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.937 15.796 -17.970 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.499 16.683 -17.412 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.954 14.214 -16.530 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.275 15.592 -17.429 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.091 13.939 -18.062 1.00 0.00 H new ATOM 866 N TYR A 75 8.858 16.402 -20.668 1.00 0.00 N ATOM 867 CA TYR A 75 10.085 16.637 -21.432 1.00 0.00 C ATOM 868 C TYR A 75 11.121 17.393 -20.571 1.00 0.00 C ATOM 869 O TYR A 75 11.170 18.624 -20.556 1.00 0.00 O ATOM 870 CB TYR A 75 9.721 17.387 -22.721 1.00 0.00 C ATOM 871 CG TYR A 75 9.077 16.458 -23.726 1.00 0.00 C ATOM 872 CD1 TYR A 75 9.892 15.526 -24.393 1.00 0.00 C ATOM 873 CD2 TYR A 75 7.682 16.445 -23.920 1.00 0.00 C ATOM 874 CE1 TYR A 75 9.317 14.569 -25.243 1.00 0.00 C ATOM 875 CE2 TYR A 75 7.104 15.497 -24.787 1.00 0.00 C ATOM 876 CZ TYR A 75 7.921 14.552 -25.450 1.00 0.00 C ATOM 877 OH TYR A 75 7.374 13.620 -26.281 1.00 0.00 O ATOM 0 H TYR A 75 8.536 17.256 -20.213 1.00 0.00 H new ATOM 0 HA TYR A 75 10.552 15.692 -21.709 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.040 18.206 -22.489 1.00 0.00 H new ATOM 0 HB3 TYR A 75 10.618 17.831 -23.153 1.00 0.00 H new ATOM 0 HD1 TYR A 75 10.962 15.547 -24.251 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.057 17.160 -23.405 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.944 13.844 -25.740 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.036 15.492 -24.946 1.00 0.00 H new ATOM 0 HH TYR A 75 6.402 13.742 -26.315 1.00 0.00 H new ATOM 887 N CYS A 76 11.949 16.639 -19.839 1.00 0.00 N ATOM 888 CA CYS A 76 12.982 17.120 -18.909 1.00 0.00 C ATOM 889 C CYS A 76 14.389 17.293 -19.510 1.00 0.00 C ATOM 890 O CYS A 76 15.332 17.582 -18.768 1.00 0.00 O ATOM 891 CB CYS A 76 13.019 16.209 -17.671 1.00 0.00 C ATOM 892 SG CYS A 76 11.439 16.266 -16.787 1.00 0.00 S ATOM 0 H CYS A 76 11.916 15.620 -19.881 1.00 0.00 H new ATOM 0 HA CYS A 76 12.686 18.133 -18.636 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.235 15.184 -17.974 1.00 0.00 H new ATOM 0 HB3 CYS A 76 13.825 16.522 -17.007 1.00 0.00 H new ATOM 0 HG CYS A 76 11.417 15.337 -15.878 1.00 0.00 H new ATOM 898 N GLY A 77 14.556 17.112 -20.825 1.00 0.00 N ATOM 899 CA GLY A 77 15.850 17.262 -21.503 1.00 0.00 C ATOM 900 C GLY A 77 16.507 18.618 -21.212 1.00 0.00 C ATOM 901 O GLY A 77 15.931 19.672 -21.497 1.00 0.00 O ATOM 0 H GLY A 77 13.794 16.856 -21.453 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.519 16.462 -21.186 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.709 17.153 -22.578 1.00 0.00 H new ATOM 905 N GLY A 78 17.706 18.583 -20.623 1.00 0.00 N ATOM 906 CA GLY A 78 18.472 19.767 -20.217 1.00 0.00 C ATOM 907 C GLY A 78 18.242 20.263 -18.779 1.00 0.00 C ATOM 908 O GLY A 78 18.901 21.230 -18.389 1.00 0.00 O ATOM 0 H GLY A 78 18.184 17.708 -20.409 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.533 19.547 -20.338 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.235 20.581 -20.902 1.00 0.00 H new ATOM 912 N ASP A 79 17.373 19.631 -17.972 1.00 0.00 N ATOM 913 CA ASP A 79 17.257 19.920 -16.526 1.00 0.00 C ATOM 914 C ASP A 79 17.864 18.822 -15.636 1.00 0.00 C ATOM 915 O ASP A 79 18.098 17.687 -16.072 1.00 0.00 O ATOM 916 CB ASP A 79 15.801 20.210 -16.101 1.00 0.00 C ATOM 917 CG ASP A 79 15.701 21.371 -15.081 1.00 0.00 C ATOM 918 OD1 ASP A 79 16.682 21.647 -14.348 1.00 0.00 O ATOM 919 OD2 ASP A 79 14.637 22.028 -15.000 1.00 0.00 O ATOM 0 H ASP A 79 16.732 18.908 -18.299 1.00 0.00 H new ATOM 0 HA ASP A 79 17.846 20.824 -16.371 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.210 20.454 -16.984 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.367 19.310 -15.666 1.00 0.00 H new ATOM 924 N LEU A 80 18.056 19.149 -14.352 1.00 0.00 N ATOM 925 CA LEU A 80 18.562 18.215 -13.345 1.00 0.00 C ATOM 926 C LEU A 80 17.670 16.981 -13.245 1.00 0.00 C ATOM 927 O LEU A 80 18.188 15.870 -13.216 1.00 0.00 O ATOM 928 CB LEU A 80 18.634 18.898 -11.970 1.00 0.00 C ATOM 929 CG LEU A 80 19.629 18.255 -10.982 1.00 0.00 C ATOM 930 CD1 LEU A 80 21.076 18.257 -11.475 1.00 0.00 C ATOM 931 CD2 LEU A 80 19.613 19.046 -9.672 1.00 0.00 C ATOM 0 H LEU A 80 17.862 20.079 -13.982 1.00 0.00 H new ATOM 0 HA LEU A 80 19.561 17.905 -13.653 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.909 19.943 -12.113 1.00 0.00 H new ATOM 0 HB3 LEU A 80 17.640 18.888 -11.522 1.00 0.00 H new ATOM 0 HG LEU A 80 19.307 17.220 -10.864 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.716 17.789 -10.727 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.143 17.700 -12.410 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.403 19.284 -11.640 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.314 18.598 -8.968 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.904 20.078 -9.867 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.609 19.026 -9.247 1.00 0.00 H new ATOM 943 N LEU A 81 16.339 17.163 -13.236 1.00 0.00 N ATOM 944 CA LEU A 81 15.407 16.035 -13.222 1.00 0.00 C ATOM 945 C LEU A 81 15.640 15.077 -14.407 1.00 0.00 C ATOM 946 O LEU A 81 15.646 13.866 -14.207 1.00 0.00 O ATOM 947 CB LEU A 81 13.956 16.556 -13.172 1.00 0.00 C ATOM 948 CG LEU A 81 12.842 15.499 -13.348 1.00 0.00 C ATOM 949 CD1 LEU A 81 12.923 14.341 -12.352 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.478 16.165 -13.159 1.00 0.00 C ATOM 0 H LEU A 81 15.890 18.079 -13.238 1.00 0.00 H new ATOM 0 HA LEU A 81 15.591 15.448 -12.323 1.00 0.00 H new ATOM 0 HB2 LEU A 81 13.805 17.056 -12.215 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.837 17.311 -13.949 1.00 0.00 H new ATOM 0 HG LEU A 81 12.975 15.091 -14.350 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.108 13.642 -12.540 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.877 13.826 -12.469 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.842 14.728 -11.336 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.690 15.422 -13.283 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.418 16.594 -12.159 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.352 16.954 -13.901 1.00 0.00 H new ATOM 962 N GLY A 82 15.890 15.594 -15.616 1.00 0.00 N ATOM 963 CA GLY A 82 16.201 14.765 -16.790 1.00 0.00 C ATOM 964 C GLY A 82 17.536 14.025 -16.659 1.00 0.00 C ATOM 965 O GLY A 82 17.611 12.820 -16.907 1.00 0.00 O ATOM 0 H GLY A 82 15.883 16.596 -15.809 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.402 14.039 -16.938 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.227 15.396 -17.678 1.00 0.00 H new ATOM 969 N GLU A 83 18.582 14.716 -16.194 1.00 0.00 N ATOM 970 CA GLU A 83 19.904 14.105 -15.966 1.00 0.00 C ATOM 971 C GLU A 83 19.864 13.018 -14.871 1.00 0.00 C ATOM 972 O GLU A 83 20.534 11.989 -14.979 1.00 0.00 O ATOM 973 CB GLU A 83 20.955 15.209 -15.718 1.00 0.00 C ATOM 974 CG GLU A 83 21.655 15.227 -14.350 1.00 0.00 C ATOM 975 CD GLU A 83 22.828 16.231 -14.335 1.00 0.00 C ATOM 976 OE1 GLU A 83 22.640 17.423 -14.682 1.00 0.00 O ATOM 977 OE2 GLU A 83 23.963 15.831 -13.974 1.00 0.00 O ATOM 0 H GLU A 83 18.541 15.709 -15.965 1.00 0.00 H new ATOM 0 HA GLU A 83 20.209 13.570 -16.866 1.00 0.00 H new ATOM 0 HB2 GLU A 83 21.722 15.122 -16.487 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.469 16.174 -15.860 1.00 0.00 H new ATOM 0 HG2 GLU A 83 20.936 15.492 -13.575 1.00 0.00 H new ATOM 0 HG3 GLU A 83 22.024 14.229 -14.115 1.00 0.00 H new ATOM 984 N LEU A 84 19.029 13.228 -13.851 1.00 0.00 N ATOM 985 CA LEU A 84 18.765 12.309 -12.746 1.00 0.00 C ATOM 986 C LEU A 84 18.034 11.043 -13.220 1.00 0.00 C ATOM 987 O LEU A 84 18.513 9.927 -13.010 1.00 0.00 O ATOM 988 CB LEU A 84 17.981 13.104 -11.688 1.00 0.00 C ATOM 989 CG LEU A 84 17.579 12.392 -10.395 1.00 0.00 C ATOM 990 CD1 LEU A 84 16.467 11.359 -10.544 1.00 0.00 C ATOM 991 CD2 LEU A 84 18.785 11.768 -9.702 1.00 0.00 C ATOM 0 H LEU A 84 18.491 14.091 -13.771 1.00 0.00 H new ATOM 0 HA LEU A 84 19.693 11.938 -12.311 1.00 0.00 H new ATOM 0 HB2 LEU A 84 18.578 13.974 -11.416 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.071 13.476 -12.159 1.00 0.00 H new ATOM 0 HG LEU A 84 17.165 13.185 -9.772 1.00 0.00 H new ATOM 0 HD11 LEU A 84 16.255 10.911 -9.574 1.00 0.00 H new ATOM 0 HD12 LEU A 84 15.568 11.844 -10.924 1.00 0.00 H new ATOM 0 HD13 LEU A 84 16.783 10.583 -11.241 1.00 0.00 H new ATOM 0 HD21 LEU A 84 18.462 11.271 -8.787 1.00 0.00 H new ATOM 0 HD22 LEU A 84 19.250 11.039 -10.366 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.507 12.547 -9.456 1.00 0.00 H new ATOM 1003 N LEU A 85 16.899 11.231 -13.902 1.00 0.00 N ATOM 1004 CA LEU A 85 16.165 10.173 -14.622 1.00 0.00 C ATOM 1005 C LEU A 85 17.074 9.385 -15.590 1.00 0.00 C ATOM 1006 O LEU A 85 16.868 8.187 -15.793 1.00 0.00 O ATOM 1007 CB LEU A 85 15.011 10.804 -15.437 1.00 0.00 C ATOM 1008 CG LEU A 85 13.628 10.519 -14.845 1.00 0.00 C ATOM 1009 CD1 LEU A 85 12.611 11.422 -15.528 1.00 0.00 C ATOM 1010 CD2 LEU A 85 13.213 9.062 -15.073 1.00 0.00 C ATOM 0 H LEU A 85 16.450 12.144 -13.973 1.00 0.00 H new ATOM 0 HA LEU A 85 15.782 9.481 -13.872 1.00 0.00 H new ATOM 0 HB2 LEU A 85 15.161 11.882 -15.491 1.00 0.00 H new ATOM 0 HB3 LEU A 85 15.047 10.425 -16.458 1.00 0.00 H new ATOM 0 HG LEU A 85 13.667 10.706 -13.772 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.620 11.230 -15.116 1.00 0.00 H new ATOM 0 HD12 LEU A 85 12.879 12.465 -15.359 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.605 11.218 -16.599 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.227 8.893 -14.641 1.00 0.00 H new ATOM 0 HD22 LEU A 85 13.181 8.856 -16.143 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.936 8.399 -14.598 1.00 0.00 H new ATOM 1022 N GLY A 86 18.050 10.060 -16.212 1.00 0.00 N ATOM 1023 CA GLY A 86 18.908 9.509 -17.270 1.00 0.00 C ATOM 1024 C GLY A 86 18.240 9.495 -18.654 1.00 0.00 C ATOM 1025 O GLY A 86 18.745 8.862 -19.585 1.00 0.00 O ATOM 0 H GLY A 86 18.271 11.030 -15.987 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.826 10.094 -17.324 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.194 8.492 -17.003 1.00 0.00 H new ATOM 1029 N ARG A 87 17.091 10.174 -18.779 1.00 0.00 N ATOM 1030 CA ARG A 87 16.246 10.288 -19.978 1.00 0.00 C ATOM 1031 C ARG A 87 15.497 11.617 -19.990 1.00 0.00 C ATOM 1032 O ARG A 87 15.039 12.105 -18.959 1.00 0.00 O ATOM 1033 CB ARG A 87 15.307 9.070 -20.100 1.00 0.00 C ATOM 1034 CG ARG A 87 14.394 8.842 -18.885 1.00 0.00 C ATOM 1035 CD ARG A 87 13.624 7.523 -18.985 1.00 0.00 C ATOM 1036 NE ARG A 87 12.586 7.587 -20.029 1.00 0.00 N ATOM 1037 CZ ARG A 87 12.156 6.633 -20.832 1.00 0.00 C ATOM 1038 NH1 ARG A 87 12.607 5.412 -20.784 1.00 0.00 N ATOM 1039 NH2 ARG A 87 11.241 6.920 -21.710 1.00 0.00 N ATOM 0 H ARG A 87 16.700 10.693 -17.993 1.00 0.00 H new ATOM 0 HA ARG A 87 16.884 10.283 -20.862 1.00 0.00 H new ATOM 0 HB2 ARG A 87 14.685 9.194 -20.987 1.00 0.00 H new ATOM 0 HB3 ARG A 87 15.911 8.176 -20.257 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.994 8.843 -17.975 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.688 9.668 -18.802 1.00 0.00 H new ATOM 0 HD2 ARG A 87 14.317 6.711 -19.207 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.163 7.295 -18.024 1.00 0.00 H new ATOM 0 HE ARG A 87 12.138 8.496 -20.147 1.00 0.00 H new ATOM 0 HH11 ARG A 87 13.324 5.160 -20.104 1.00 0.00 H new ATOM 0 HH12 ARG A 87 12.243 4.708 -21.426 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.870 7.868 -21.768 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.895 6.197 -22.341 1.00 0.00 H new ATOM 1053 N GLN A 88 15.352 12.174 -21.188 1.00 0.00 N ATOM 1054 CA GLN A 88 14.679 13.452 -21.443 1.00 0.00 C ATOM 1055 C GLN A 88 13.159 13.392 -21.331 1.00 0.00 C ATOM 1056 O GLN A 88 12.535 14.444 -21.304 1.00 0.00 O ATOM 1057 CB GLN A 88 15.084 13.948 -22.838 1.00 0.00 C ATOM 1058 CG GLN A 88 14.639 13.057 -24.015 1.00 0.00 C ATOM 1059 CD GLN A 88 15.138 13.601 -25.354 1.00 0.00 C ATOM 1060 OE1 GLN A 88 16.139 13.158 -25.904 1.00 0.00 O ATOM 1061 NE2 GLN A 88 14.479 14.589 -25.927 1.00 0.00 N ATOM 0 H GLN A 88 15.709 11.738 -22.038 1.00 0.00 H new ATOM 0 HA GLN A 88 15.001 14.143 -20.664 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.670 14.946 -22.984 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.169 14.045 -22.869 1.00 0.00 H new ATOM 0 HG2 GLN A 88 15.017 12.045 -23.869 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.551 12.991 -24.031 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.643 14.970 -25.483 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.805 14.972 -26.814 1.00 0.00 H new ATOM 1070 N SER A 89 12.547 12.210 -21.314 1.00 0.00 N ATOM 1071 CA SER A 89 11.072 12.121 -21.354 1.00 0.00 C ATOM 1072 C SER A 89 10.433 10.859 -20.775 1.00 0.00 C ATOM 1073 O SER A 89 11.014 9.773 -20.756 1.00 0.00 O ATOM 1074 CB SER A 89 10.575 12.314 -22.796 1.00 0.00 C ATOM 1075 OG SER A 89 11.087 11.298 -23.650 1.00 0.00 O ATOM 0 H SER A 89 13.029 11.312 -21.274 1.00 0.00 H new ATOM 0 HA SER A 89 10.751 12.922 -20.688 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.485 12.295 -22.815 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.883 13.293 -23.163 1.00 0.00 H new ATOM 0 HG SER A 89 10.757 11.440 -24.562 1.00 0.00 H new ATOM 1081 N PHE A 90 9.201 11.040 -20.301 1.00 0.00 N ATOM 1082 CA PHE A 90 8.266 10.054 -19.743 1.00 0.00 C ATOM 1083 C PHE A 90 6.854 10.685 -19.750 1.00 0.00 C ATOM 1084 O PHE A 90 6.678 11.815 -20.213 1.00 0.00 O ATOM 1085 CB PHE A 90 8.709 9.666 -18.320 1.00 0.00 C ATOM 1086 CG PHE A 90 8.666 10.798 -17.314 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.735 11.708 -17.230 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.546 10.957 -16.477 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.691 12.761 -16.303 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.501 12.009 -15.549 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.593 12.889 -15.431 1.00 0.00 C ATOM 0 H PHE A 90 8.788 11.973 -20.296 1.00 0.00 H new ATOM 0 HA PHE A 90 8.254 9.141 -20.338 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.072 8.857 -17.964 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.726 9.275 -18.364 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.591 11.596 -17.879 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.718 10.267 -16.549 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.501 13.474 -16.259 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.629 12.143 -14.926 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.589 13.660 -14.674 1.00 0.00 H new ATOM 1101 N SER A 91 5.831 9.999 -19.237 1.00 0.00 N ATOM 1102 CA SER A 91 4.487 10.568 -19.095 1.00 0.00 C ATOM 1103 C SER A 91 3.850 10.283 -17.732 1.00 0.00 C ATOM 1104 O SER A 91 4.234 9.373 -16.997 1.00 0.00 O ATOM 1105 CB SER A 91 3.600 10.048 -20.226 1.00 0.00 C ATOM 1106 OG SER A 91 3.136 8.738 -19.953 1.00 0.00 O ATOM 0 H SER A 91 5.909 9.036 -18.909 1.00 0.00 H new ATOM 0 HA SER A 91 4.582 11.652 -19.158 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.750 10.717 -20.362 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.160 10.051 -21.161 1.00 0.00 H new ATOM 0 HG SER A 91 2.570 8.431 -20.692 1.00 0.00 H new ATOM 1112 N VAL A 92 2.813 11.058 -17.425 1.00 0.00 N ATOM 1113 CA VAL A 92 1.879 10.861 -16.302 1.00 0.00 C ATOM 1114 C VAL A 92 1.188 9.488 -16.383 1.00 0.00 C ATOM 1115 O VAL A 92 0.834 8.903 -15.358 1.00 0.00 O ATOM 1116 CB VAL A 92 0.839 11.989 -16.410 1.00 0.00 C ATOM 1117 CG1 VAL A 92 -0.506 11.785 -15.716 1.00 0.00 C ATOM 1118 CG2 VAL A 92 1.425 13.334 -15.975 1.00 0.00 C ATOM 0 H VAL A 92 2.583 11.885 -17.976 1.00 0.00 H new ATOM 0 HA VAL A 92 2.408 10.888 -15.349 1.00 0.00 H new ATOM 0 HB VAL A 92 0.604 11.973 -17.474 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.135 12.660 -15.878 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.998 10.903 -16.127 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.346 11.646 -14.647 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.663 14.109 -16.064 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.757 13.268 -14.939 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.273 13.584 -16.612 1.00 0.00 H new ATOM 1128 N LYS A 93 0.995 8.975 -17.608 1.00 0.00 N ATOM 1129 CA LYS A 93 0.243 7.749 -17.927 1.00 0.00 C ATOM 1130 C LYS A 93 1.127 6.490 -17.922 1.00 0.00 C ATOM 1131 O LYS A 93 0.615 5.381 -17.761 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.500 7.971 -19.261 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.557 9.089 -19.133 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.142 9.531 -20.481 1.00 0.00 C ATOM 1135 CE LYS A 93 -3.158 10.662 -20.240 1.00 0.00 C ATOM 1136 NZ LYS A 93 -3.617 11.295 -21.509 1.00 0.00 N ATOM 0 H LYS A 93 1.376 9.423 -18.442 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.490 7.557 -17.144 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.216 8.232 -20.040 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.983 7.044 -19.570 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.366 8.742 -18.490 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.106 9.951 -18.641 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.346 9.874 -21.142 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.626 8.689 -20.975 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.019 10.264 -19.703 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.707 11.421 -19.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.013 12.235 -21.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.811 11.393 -22.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.347 10.700 -21.950 1.00 0.00 H new ATOM 1150 N ASP A 94 2.447 6.661 -18.026 1.00 0.00 N ATOM 1151 CA ASP A 94 3.478 5.635 -17.831 1.00 0.00 C ATOM 1152 C ASP A 94 4.642 6.190 -16.968 1.00 0.00 C ATOM 1153 O ASP A 94 5.710 6.527 -17.494 1.00 0.00 O ATOM 1154 CB ASP A 94 3.947 5.099 -19.194 1.00 0.00 C ATOM 1155 CG ASP A 94 4.996 3.977 -19.060 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.061 3.311 -17.996 1.00 0.00 O ATOM 1157 OD2 ASP A 94 5.742 3.732 -20.039 1.00 0.00 O ATOM 0 H ASP A 94 2.849 7.568 -18.261 1.00 0.00 H new ATOM 0 HA ASP A 94 3.059 4.793 -17.280 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.087 4.723 -19.748 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.369 5.918 -19.777 1.00 0.00 H new ATOM 1162 N PRO A 95 4.448 6.306 -15.635 1.00 0.00 N ATOM 1163 CA PRO A 95 5.434 6.864 -14.699 1.00 0.00 C ATOM 1164 C PRO A 95 6.580 5.895 -14.346 1.00 0.00 C ATOM 1165 O PRO A 95 7.479 6.249 -13.584 1.00 0.00 O ATOM 1166 CB PRO A 95 4.611 7.250 -13.465 1.00 0.00 C ATOM 1167 CG PRO A 95 3.516 6.187 -13.440 1.00 0.00 C ATOM 1168 CD PRO A 95 3.216 5.984 -14.923 1.00 0.00 C ATOM 0 HA PRO A 95 5.955 7.712 -15.144 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.213 7.232 -12.556 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.197 8.254 -13.553 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.855 5.266 -12.965 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.637 6.523 -12.891 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.909 4.957 -15.121 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.399 6.629 -15.247 1.00 0.00 H new ATOM 1176 N SER A 96 6.567 4.676 -14.895 1.00 0.00 N ATOM 1177 CA SER A 96 7.497 3.567 -14.620 1.00 0.00 C ATOM 1178 C SER A 96 8.984 3.938 -14.443 1.00 0.00 C ATOM 1179 O SER A 96 9.565 3.486 -13.452 1.00 0.00 O ATOM 1180 CB SER A 96 7.376 2.496 -15.716 1.00 0.00 C ATOM 1181 OG SER A 96 6.035 2.055 -15.860 1.00 0.00 O ATOM 0 H SER A 96 5.864 4.417 -15.587 1.00 0.00 H new ATOM 0 HA SER A 96 7.181 3.198 -13.644 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.732 2.900 -16.664 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.016 1.648 -15.471 1.00 0.00 H new ATOM 0 HG SER A 96 5.721 2.252 -16.767 1.00 0.00 H new ATOM 1187 N PRO A 97 9.638 4.758 -15.302 1.00 0.00 N ATOM 1188 CA PRO A 97 11.068 5.043 -15.135 1.00 0.00 C ATOM 1189 C PRO A 97 11.401 5.856 -13.872 1.00 0.00 C ATOM 1190 O PRO A 97 12.523 5.767 -13.378 1.00 0.00 O ATOM 1191 CB PRO A 97 11.498 5.771 -16.409 1.00 0.00 C ATOM 1192 CG PRO A 97 10.213 6.432 -16.899 1.00 0.00 C ATOM 1193 CD PRO A 97 9.152 5.399 -16.526 1.00 0.00 C ATOM 0 HA PRO A 97 11.616 4.112 -14.990 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.275 6.508 -16.206 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.900 5.079 -17.149 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.037 7.390 -16.410 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.237 6.621 -17.972 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.184 5.873 -16.362 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.018 4.669 -17.324 1.00 0.00 H new ATOM 1201 N LEU A 98 10.443 6.595 -13.296 1.00 0.00 N ATOM 1202 CA LEU A 98 10.617 7.289 -12.019 1.00 0.00 C ATOM 1203 C LEU A 98 10.775 6.264 -10.886 1.00 0.00 C ATOM 1204 O LEU A 98 11.742 6.251 -10.128 1.00 0.00 O ATOM 1205 CB LEU A 98 9.363 8.151 -11.748 1.00 0.00 C ATOM 1206 CG LEU A 98 8.915 9.108 -12.865 1.00 0.00 C ATOM 1207 CD1 LEU A 98 7.544 9.682 -12.517 1.00 0.00 C ATOM 1208 CD2 LEU A 98 9.899 10.254 -13.020 1.00 0.00 C ATOM 0 H LEU A 98 9.520 6.727 -13.709 1.00 0.00 H new ATOM 0 HA LEU A 98 11.507 7.917 -12.063 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.533 7.480 -11.525 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.546 8.741 -10.850 1.00 0.00 H new ATOM 0 HG LEU A 98 8.870 8.550 -13.800 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.223 10.361 -13.307 1.00 0.00 H new ATOM 0 HD12 LEU A 98 6.823 8.870 -12.421 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.606 10.225 -11.574 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.562 10.918 -13.816 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.960 10.810 -12.085 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.883 9.857 -13.271 1.00 0.00 H new ATOM 1220 N TYR A 99 9.840 5.323 -10.810 1.00 0.00 N ATOM 1221 CA TYR A 99 9.854 4.288 -9.784 1.00 0.00 C ATOM 1222 C TYR A 99 11.093 3.386 -9.926 1.00 0.00 C ATOM 1223 O TYR A 99 11.645 2.935 -8.925 1.00 0.00 O ATOM 1224 CB TYR A 99 8.527 3.520 -9.848 1.00 0.00 C ATOM 1225 CG TYR A 99 7.333 4.323 -9.346 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.723 5.310 -10.154 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.844 4.087 -8.045 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.627 6.046 -9.658 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.743 4.815 -7.553 1.00 0.00 C ATOM 1230 CZ TYR A 99 5.129 5.796 -8.362 1.00 0.00 C ATOM 1231 OH TYR A 99 4.057 6.500 -7.903 1.00 0.00 O ATOM 0 H TYR A 99 9.054 5.257 -11.456 1.00 0.00 H new ATOM 0 HA TYR A 99 9.936 4.733 -8.793 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.342 3.216 -10.878 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.616 2.608 -9.257 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.096 5.500 -11.150 1.00 0.00 H new ATOM 0 HD2 TYR A 99 7.317 3.343 -7.421 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.167 6.805 -10.273 1.00 0.00 H new ATOM 0 HE2 TYR A 99 5.369 4.623 -6.558 1.00 0.00 H new ATOM 0 HH TYR A 99 3.838 6.207 -6.994 1.00 0.00 H new ATOM 1241 N ASP A 100 11.611 3.221 -11.146 1.00 0.00 N ATOM 1242 CA ASP A 100 12.867 2.516 -11.425 1.00 0.00 C ATOM 1243 C ASP A 100 14.093 3.288 -10.920 1.00 0.00 C ATOM 1244 O ASP A 100 15.000 2.705 -10.331 1.00 0.00 O ATOM 1245 CB ASP A 100 12.989 2.287 -12.928 1.00 0.00 C ATOM 1246 CG ASP A 100 14.043 1.218 -13.254 1.00 0.00 C ATOM 1247 OD1 ASP A 100 13.787 0.016 -13.000 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.127 1.571 -13.778 1.00 0.00 O ATOM 0 H ASP A 100 11.160 3.582 -11.987 1.00 0.00 H new ATOM 0 HA ASP A 100 12.841 1.565 -10.893 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.023 1.981 -13.329 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.256 3.223 -13.419 1.00 0.00 H new ATOM 1253 N MET A 101 14.092 4.614 -11.086 1.00 0.00 N ATOM 1254 CA MET A 101 15.131 5.498 -10.538 1.00 0.00 C ATOM 1255 C MET A 101 15.090 5.559 -8.997 1.00 0.00 C ATOM 1256 O MET A 101 16.131 5.777 -8.377 1.00 0.00 O ATOM 1257 CB MET A 101 15.100 6.891 -11.209 1.00 0.00 C ATOM 1258 CG MET A 101 14.409 7.960 -10.358 1.00 0.00 C ATOM 1259 SD MET A 101 13.723 9.373 -11.247 1.00 0.00 S ATOM 1260 CE MET A 101 12.482 9.862 -10.017 1.00 0.00 C ATOM 0 H MET A 101 13.368 5.109 -11.607 1.00 0.00 H new ATOM 0 HA MET A 101 16.099 5.062 -10.785 1.00 0.00 H new ATOM 0 HB2 MET A 101 16.122 7.208 -11.418 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.588 6.813 -12.168 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.603 7.484 -9.799 1.00 0.00 H new ATOM 0 HG3 MET A 101 15.127 8.332 -9.627 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.060 10.829 -10.290 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.688 9.116 -9.985 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.951 9.935 -9.036 1.00 0.00 H new ATOM 1270 N LEU A 102 13.917 5.382 -8.362 1.00 0.00 N ATOM 1271 CA LEU A 102 13.779 5.402 -6.914 1.00 0.00 C ATOM 1272 C LEU A 102 14.178 4.053 -6.334 1.00 0.00 C ATOM 1273 O LEU A 102 15.030 4.032 -5.466 1.00 0.00 O ATOM 1274 CB LEU A 102 12.339 5.769 -6.482 1.00 0.00 C ATOM 1275 CG LEU A 102 11.839 7.185 -6.827 1.00 0.00 C ATOM 1276 CD1 LEU A 102 10.462 7.418 -6.208 1.00 0.00 C ATOM 1277 CD2 LEU A 102 12.783 8.291 -6.359 1.00 0.00 C ATOM 0 H LEU A 102 13.038 5.221 -8.853 1.00 0.00 H new ATOM 0 HA LEU A 102 14.445 6.172 -6.525 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.657 5.050 -6.936 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.267 5.639 -5.402 1.00 0.00 H new ATOM 0 HG LEU A 102 11.791 7.234 -7.915 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.116 8.421 -6.457 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.758 6.684 -6.600 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.528 7.315 -5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 102 12.371 9.262 -6.634 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.896 8.238 -5.276 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.756 8.163 -6.832 1.00 0.00 H new ATOM 1289 N ARG A 103 13.698 2.921 -6.860 1.00 0.00 N ATOM 1290 CA ARG A 103 13.816 1.607 -6.201 1.00 0.00 C ATOM 1291 C ARG A 103 15.217 1.147 -5.771 1.00 0.00 C ATOM 1292 O ARG A 103 15.358 0.417 -4.792 1.00 0.00 O ATOM 1293 CB ARG A 103 13.044 0.579 -7.042 1.00 0.00 C ATOM 1294 CG ARG A 103 13.686 0.090 -8.353 1.00 0.00 C ATOM 1295 CD ARG A 103 14.687 -1.062 -8.194 1.00 0.00 C ATOM 1296 NE ARG A 103 14.039 -2.286 -7.676 1.00 0.00 N ATOM 1297 CZ ARG A 103 14.610 -3.288 -7.027 1.00 0.00 C ATOM 1298 NH1 ARG A 103 15.890 -3.325 -6.783 1.00 0.00 N ATOM 1299 NH2 ARG A 103 13.891 -4.289 -6.606 1.00 0.00 N ATOM 0 H ARG A 103 13.214 2.886 -7.757 1.00 0.00 H new ATOM 0 HA ARG A 103 13.362 1.714 -5.216 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.858 -0.293 -6.415 1.00 0.00 H new ATOM 0 HB3 ARG A 103 12.073 1.009 -7.286 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.894 -0.228 -9.031 1.00 0.00 H new ATOM 0 HG3 ARG A 103 14.194 0.930 -8.827 1.00 0.00 H new ATOM 0 HD2 ARG A 103 15.151 -1.276 -9.157 1.00 0.00 H new ATOM 0 HD3 ARG A 103 15.485 -0.759 -7.516 1.00 0.00 H new ATOM 0 HE ARG A 103 13.035 -2.367 -7.838 1.00 0.00 H new ATOM 0 HH11 ARG A 103 16.491 -2.563 -7.096 1.00 0.00 H new ATOM 0 HH12 ARG A 103 16.290 -4.116 -6.279 1.00 0.00 H new ATOM 0 HH21 ARG A 103 12.885 -4.302 -6.776 1.00 0.00 H new ATOM 0 HH22 ARG A 103 14.334 -5.060 -6.106 1.00 0.00 H new ATOM 1313 N LYS A 104 16.244 1.592 -6.502 1.00 0.00 N ATOM 1314 CA LYS A 104 17.679 1.347 -6.252 1.00 0.00 C ATOM 1315 C LYS A 104 18.447 2.450 -5.490 1.00 0.00 C ATOM 1316 O LYS A 104 19.557 2.196 -5.028 1.00 0.00 O ATOM 1317 CB LYS A 104 18.386 0.924 -7.558 1.00 0.00 C ATOM 1318 CG LYS A 104 17.903 1.511 -8.895 1.00 0.00 C ATOM 1319 CD LYS A 104 17.865 3.045 -8.961 1.00 0.00 C ATOM 1320 CE LYS A 104 19.193 3.778 -8.752 1.00 0.00 C ATOM 1321 NZ LYS A 104 20.213 3.459 -9.794 1.00 0.00 N ATOM 0 H LYS A 104 16.094 2.166 -7.332 1.00 0.00 H new ATOM 0 HA LYS A 104 17.702 0.521 -5.541 1.00 0.00 H new ATOM 0 HB2 LYS A 104 19.443 1.170 -7.454 1.00 0.00 H new ATOM 0 HB3 LYS A 104 18.317 -0.161 -7.632 1.00 0.00 H new ATOM 0 HG2 LYS A 104 18.553 1.145 -9.690 1.00 0.00 H new ATOM 0 HG3 LYS A 104 16.903 1.130 -9.100 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.467 3.333 -9.934 1.00 0.00 H new ATOM 0 HD3 LYS A 104 17.159 3.400 -8.210 1.00 0.00 H new ATOM 0 HE2 LYS A 104 19.010 4.853 -8.749 1.00 0.00 H new ATOM 0 HE3 LYS A 104 19.592 3.520 -7.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 21.088 3.986 -9.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 20.413 2.439 -9.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.850 3.730 -10.730 1.00 0.00 H new ATOM 1335 N ASN A 105 17.885 3.655 -5.346 1.00 0.00 N ATOM 1336 CA ASN A 105 18.465 4.766 -4.560 1.00 0.00 C ATOM 1337 C ASN A 105 17.710 5.023 -3.247 1.00 0.00 C ATOM 1338 O ASN A 105 18.316 5.397 -2.243 1.00 0.00 O ATOM 1339 CB ASN A 105 18.489 6.046 -5.417 1.00 0.00 C ATOM 1340 CG ASN A 105 19.825 6.223 -6.118 1.00 0.00 C ATOM 1341 OD1 ASN A 105 19.927 6.284 -7.330 1.00 0.00 O ATOM 1342 ND2 ASN A 105 20.903 6.277 -5.371 1.00 0.00 N ATOM 0 H ASN A 105 16.994 3.897 -5.780 1.00 0.00 H new ATOM 0 HA ASN A 105 19.480 4.477 -4.288 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.691 6.004 -6.158 1.00 0.00 H new ATOM 0 HB3 ASN A 105 18.291 6.912 -4.785 1.00 0.00 H new ATOM 0 HD21 ASN A 105 21.821 6.370 -5.806 1.00 0.00 H new ATOM 0 HD22 ASN A 105 20.823 6.226 -4.355 1.00 0.00 H new ATOM 1349 N LEU A 106 16.390 4.845 -3.274 1.00 0.00 N ATOM 1350 CA LEU A 106 15.456 5.080 -2.181 1.00 0.00 C ATOM 1351 C LEU A 106 14.588 3.837 -1.918 1.00 0.00 C ATOM 1352 O LEU A 106 13.879 3.344 -2.795 1.00 0.00 O ATOM 1353 CB LEU A 106 14.617 6.313 -2.567 1.00 0.00 C ATOM 1354 CG LEU A 106 13.387 6.559 -1.683 1.00 0.00 C ATOM 1355 CD1 LEU A 106 13.752 6.883 -0.231 1.00 0.00 C ATOM 1356 CD2 LEU A 106 12.556 7.716 -2.217 1.00 0.00 C ATOM 0 H LEU A 106 15.918 4.512 -4.114 1.00 0.00 H new ATOM 0 HA LEU A 106 15.983 5.270 -1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.256 7.195 -2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.288 6.202 -3.600 1.00 0.00 H new ATOM 0 HG LEU A 106 12.821 5.628 -1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.841 7.047 0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.308 6.050 0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.366 7.783 -0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.690 7.870 -1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.162 8.622 -2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.220 7.486 -3.228 1.00 0.00 H new