USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 978 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 Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -157:sc= -0.137 (180deg=-0.774) USER MOD Single : A 3 HIS : no HD1:sc= 0.0139 K(o=0.014,f=-0.73) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.022) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.00041) USER MOD Single : A 21 GLN : amide:sc= -1.39 K(o=-1.4,f=-5.7!) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 HIS : no HE2:sc= -0.2 X(o=-0.2,f=-0.61) USER MOD Single : A 28 LYS NZ :NH3+ -161:sc= -0.0231 (180deg=-0.305) USER MOD Single : A 31 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.0026) USER MOD Single : A 32 GLN : amide:sc= -10.2! C(o=-10!,f=-10!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 39 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.37) USER MOD Single : A 44 ASN : amide:sc= -0.472 K(o=-0.47,f=-1.3) USER MOD Single : A 46 ASN : amide:sc= -0.746 K(o=-0.75,f=-3.1!) USER MOD Single : A 47 LYS NZ :NH3+ -143:sc= 1.24 (180deg=0.655) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -3.39! C(o=-3.4!,f=-11!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot -34:sc= 0.5 USER MOD Single : A 65 MET CE :methyl -150:sc= -3.42! (180deg=-3.83!) USER MOD Single : A 70 GLN : amide:sc= -2.5 K(o=-2.5,f=-4.8!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -84:sc= 0.999 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= -0.641 X(o=-0.64,f=-0.97) USER MOD Single : A 90 TYR OH : rot 30:sc= -1.97 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 95 THR OG1 : rot 75:sc= 1.17 USER MOD Single : A 97 SER OG : rot 90:sc= 0.266 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 140:sc= -1.37 (180deg=-4.76!) USER MOD Single : A 107 THR OG1 : rot 91:sc= 1.24 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 GLN : amide:sc= -0.174 K(o=-0.17,f=-1.4!) USER MOD Single : A 116 THR OG1 : rot 100:sc= -0.595 USER MOD Single : A 117 GLN : amide:sc= -0.305 K(o=-0.31,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 14.498 28.796 -17.351 1.00 0.00 N ATOM 2 CA GLN A 1 14.178 27.375 -17.285 1.00 0.00 C ATOM 3 C GLN A 1 14.374 26.838 -15.871 1.00 0.00 C ATOM 4 O GLN A 1 15.344 27.181 -15.196 1.00 0.00 O ATOM 5 CB GLN A 1 15.048 26.589 -18.268 1.00 0.00 C ATOM 6 CG GLN A 1 14.959 27.094 -19.699 1.00 0.00 C ATOM 7 CD GLN A 1 13.625 26.778 -20.346 1.00 0.00 C ATOM 8 OE1 GLN A 1 12.777 27.656 -20.509 1.00 0.00 O ATOM 9 NE2 GLN A 1 13.432 25.519 -20.722 1.00 0.00 N ATOM 0 H1 GLN A 1 14.010 29.224 -18.164 1.00 0.00 H new ATOM 0 H2 GLN A 1 14.187 29.263 -16.475 1.00 0.00 H new ATOM 0 H3 GLN A 1 15.525 28.916 -17.461 1.00 0.00 H new ATOM 0 HA GLN A 1 13.130 27.251 -17.559 1.00 0.00 H new ATOM 0 HB2 GLN A 1 16.086 26.636 -17.939 1.00 0.00 H new ATOM 0 HB3 GLN A 1 14.753 25.540 -18.243 1.00 0.00 H new ATOM 0 HG2 GLN A 1 15.118 28.172 -19.711 1.00 0.00 H new ATOM 0 HG3 GLN A 1 15.760 26.647 -20.289 1.00 0.00 H new ATOM 0 HE21 GLN A 1 14.162 24.823 -20.568 1.00 0.00 H new ATOM 0 HE22 GLN A 1 12.554 25.248 -21.165 1.00 0.00 H new ATOM 18 N GLU A 2 13.447 25.993 -15.431 1.00 0.00 N ATOM 19 CA GLU A 2 13.518 25.410 -14.096 1.00 0.00 C ATOM 20 C GLU A 2 12.648 24.159 -14.002 1.00 0.00 C ATOM 21 O GLU A 2 11.947 23.804 -14.950 1.00 0.00 O ATOM 22 CB GLU A 2 13.077 26.431 -13.045 1.00 0.00 C ATOM 23 CG GLU A 2 11.760 27.112 -13.372 1.00 0.00 C ATOM 24 CD GLU A 2 11.931 28.297 -14.304 1.00 0.00 C ATOM 25 OE1 GLU A 2 12.347 29.373 -13.825 1.00 0.00 O ATOM 26 OE2 GLU A 2 11.650 28.147 -15.511 1.00 0.00 O ATOM 0 H GLU A 2 12.639 25.697 -15.979 1.00 0.00 H new ATOM 0 HA GLU A 2 14.553 25.127 -13.905 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.988 25.931 -12.080 1.00 0.00 H new ATOM 0 HB3 GLU A 2 13.852 27.190 -12.940 1.00 0.00 H new ATOM 0 HG2 GLU A 2 11.085 26.389 -13.830 1.00 0.00 H new ATOM 0 HG3 GLU A 2 11.289 27.447 -12.448 1.00 0.00 H new ATOM 33 N HIS A 3 12.700 23.495 -12.851 1.00 0.00 N ATOM 34 CA HIS A 3 11.917 22.284 -12.632 1.00 0.00 C ATOM 35 C HIS A 3 10.832 22.520 -11.586 1.00 0.00 C ATOM 36 O HIS A 3 10.988 23.350 -10.690 1.00 0.00 O ATOM 37 CB HIS A 3 12.825 21.137 -12.191 1.00 0.00 C ATOM 38 CG HIS A 3 13.605 21.435 -10.947 1.00 0.00 C ATOM 39 ND1 HIS A 3 14.753 22.199 -10.944 1.00 0.00 N ATOM 40 CD2 HIS A 3 13.395 21.068 -9.662 1.00 0.00 C ATOM 41 CE1 HIS A 3 15.217 22.287 -9.710 1.00 0.00 C ATOM 42 NE2 HIS A 3 14.410 21.611 -8.912 1.00 0.00 N ATOM 0 H HIS A 3 13.275 23.775 -12.057 1.00 0.00 H new ATOM 0 HA HIS A 3 11.437 22.016 -13.574 1.00 0.00 H new ATOM 0 HB2 HIS A 3 12.218 20.247 -12.025 1.00 0.00 H new ATOM 0 HB3 HIS A 3 13.519 20.903 -12.998 1.00 0.00 H new ATOM 0 HD2 HIS A 3 12.581 20.461 -9.294 1.00 0.00 H new ATOM 0 HE1 HIS A 3 16.105 22.821 -9.406 1.00 0.00 H new ATOM 0 HE2 HIS A 3 14.522 21.509 -7.903 1.00 0.00 H new ATOM 50 N LYS A 4 9.731 21.785 -11.706 1.00 0.00 N ATOM 51 CA LYS A 4 8.620 21.914 -10.771 1.00 0.00 C ATOM 52 C LYS A 4 9.056 21.554 -9.354 1.00 0.00 C ATOM 53 O LYS A 4 10.069 20.887 -9.141 1.00 0.00 O ATOM 54 CB LYS A 4 7.459 21.015 -11.202 1.00 0.00 C ATOM 55 CG LYS A 4 6.492 21.689 -12.160 1.00 0.00 C ATOM 56 CD LYS A 4 5.445 20.714 -12.673 1.00 0.00 C ATOM 57 CE LYS A 4 4.361 21.427 -13.466 1.00 0.00 C ATOM 58 NZ LYS A 4 3.276 21.940 -12.586 1.00 0.00 N ATOM 0 H LYS A 4 9.585 21.094 -12.442 1.00 0.00 H new ATOM 0 HA LYS A 4 8.290 22.953 -10.778 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.860 20.119 -11.675 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.913 20.691 -10.316 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.000 22.521 -11.656 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.044 22.107 -13.001 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.923 19.963 -13.302 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.995 20.186 -11.832 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.802 22.256 -14.019 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.939 20.742 -14.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.557 22.419 -13.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.838 21.146 -12.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.674 22.614 -11.901 1.00 0.00 H new ATOM 72 N PRO A 5 8.275 22.003 -8.361 1.00 0.00 N ATOM 73 CA PRO A 5 8.560 21.739 -6.948 1.00 0.00 C ATOM 74 C PRO A 5 8.353 20.273 -6.579 1.00 0.00 C ATOM 75 O PRO A 5 7.844 19.487 -7.377 1.00 0.00 O ATOM 76 CB PRO A 5 7.551 22.623 -6.211 1.00 0.00 C ATOM 77 CG PRO A 5 6.427 22.799 -7.174 1.00 0.00 C ATOM 78 CD PRO A 5 7.052 22.803 -8.542 1.00 0.00 C ATOM 0 HA PRO A 5 9.599 21.952 -6.695 1.00 0.00 H new ATOM 0 HB2 PRO A 5 7.212 22.152 -5.288 1.00 0.00 H new ATOM 0 HB3 PRO A 5 7.991 23.582 -5.936 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.701 21.991 -7.079 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.894 23.731 -6.986 1.00 0.00 H new ATOM 0 HD2 PRO A 5 6.390 22.362 -9.287 1.00 0.00 H new ATOM 0 HD3 PRO A 5 7.280 23.815 -8.877 1.00 0.00 H new ATOM 86 N LYS A 6 8.751 19.913 -5.364 1.00 0.00 N ATOM 87 CA LYS A 6 8.608 18.542 -4.887 1.00 0.00 C ATOM 88 C LYS A 6 7.138 18.143 -4.809 1.00 0.00 C ATOM 89 O LYS A 6 6.251 18.930 -5.142 1.00 0.00 O ATOM 90 CB LYS A 6 9.263 18.387 -3.512 1.00 0.00 C ATOM 91 CG LYS A 6 10.775 18.532 -3.539 1.00 0.00 C ATOM 92 CD LYS A 6 11.400 18.102 -2.223 1.00 0.00 C ATOM 93 CE LYS A 6 11.638 16.600 -2.183 1.00 0.00 C ATOM 94 NZ LYS A 6 11.920 16.118 -0.802 1.00 0.00 N ATOM 0 H LYS A 6 9.175 20.551 -4.691 1.00 0.00 H new ATOM 0 HA LYS A 6 9.108 17.883 -5.597 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.847 19.133 -2.834 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.007 17.409 -3.105 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.185 17.931 -4.351 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.038 19.569 -3.746 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.346 18.625 -2.080 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.748 18.390 -1.398 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.762 16.083 -2.576 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.476 16.348 -2.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.076 15.090 -0.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.770 16.592 -0.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.110 16.335 -0.186 1.00 0.00 H new ATOM 108 N LYS A 7 6.885 16.917 -4.366 1.00 0.00 N ATOM 109 CA LYS A 7 5.523 16.413 -4.240 1.00 0.00 C ATOM 110 C LYS A 7 5.038 16.508 -2.797 1.00 0.00 C ATOM 111 O LYS A 7 5.814 16.809 -1.890 1.00 0.00 O ATOM 112 CB LYS A 7 5.446 14.963 -4.721 1.00 0.00 C ATOM 113 CG LYS A 7 6.437 14.040 -4.031 1.00 0.00 C ATOM 114 CD LYS A 7 6.237 12.593 -4.451 1.00 0.00 C ATOM 115 CE LYS A 7 7.465 11.749 -4.144 1.00 0.00 C ATOM 116 NZ LYS A 7 7.506 10.511 -4.970 1.00 0.00 N ATOM 0 H LYS A 7 7.607 16.252 -4.088 1.00 0.00 H new ATOM 0 HA LYS A 7 4.876 17.030 -4.863 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.436 14.587 -4.556 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.624 14.936 -5.796 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.454 14.352 -4.270 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.323 14.125 -2.950 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.371 12.179 -3.934 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.022 12.549 -5.519 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.365 12.337 -4.326 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.467 11.481 -3.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.357 9.963 -4.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.660 9.938 -4.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.530 10.767 -5.978 1.00 0.00 H new ATOM 130 N ASP A 8 3.751 16.246 -2.591 1.00 0.00 N ATOM 131 CA ASP A 8 3.164 16.298 -1.258 1.00 0.00 C ATOM 132 C ASP A 8 3.317 17.690 -0.651 1.00 0.00 C ATOM 133 O ASP A 8 3.452 17.837 0.564 1.00 0.00 O ATOM 134 CB ASP A 8 3.818 15.257 -0.348 1.00 0.00 C ATOM 135 CG ASP A 8 2.838 14.656 0.642 1.00 0.00 C ATOM 136 OD1 ASP A 8 1.661 14.470 0.272 1.00 0.00 O ATOM 137 OD2 ASP A 8 3.251 14.374 1.786 1.00 0.00 O ATOM 0 H ASP A 8 3.095 15.996 -3.331 1.00 0.00 H new ATOM 0 HA ASP A 8 2.101 16.074 -1.347 1.00 0.00 H new ATOM 0 HB2 ASP A 8 4.246 14.462 -0.959 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.641 15.720 0.196 1.00 0.00 H new ATOM 142 N ASP A 9 3.297 18.707 -1.505 1.00 0.00 N ATOM 143 CA ASP A 9 3.434 20.087 -1.054 1.00 0.00 C ATOM 144 C ASP A 9 2.104 20.621 -0.531 1.00 0.00 C ATOM 145 O ASP A 9 2.049 21.253 0.525 1.00 0.00 O ATOM 146 CB ASP A 9 3.940 20.971 -2.194 1.00 0.00 C ATOM 147 CG ASP A 9 5.424 20.797 -2.448 1.00 0.00 C ATOM 148 OD1 ASP A 9 6.122 20.281 -1.549 1.00 0.00 O ATOM 149 OD2 ASP A 9 5.889 21.176 -3.543 1.00 0.00 O ATOM 0 H ASP A 9 3.187 18.602 -2.514 1.00 0.00 H new ATOM 0 HA ASP A 9 4.159 20.108 -0.240 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.389 20.735 -3.104 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.735 22.015 -1.958 1.00 0.00 H new ATOM 154 N PHE A 10 1.034 20.366 -1.277 1.00 0.00 N ATOM 155 CA PHE A 10 -0.295 20.823 -0.890 1.00 0.00 C ATOM 156 C PHE A 10 -1.000 19.779 -0.029 1.00 0.00 C ATOM 157 O PHE A 10 -1.847 19.028 -0.513 1.00 0.00 O ATOM 158 CB PHE A 10 -1.135 21.127 -2.132 1.00 0.00 C ATOM 159 CG PHE A 10 -2.216 22.142 -1.892 1.00 0.00 C ATOM 160 CD1 PHE A 10 -1.896 23.461 -1.613 1.00 0.00 C ATOM 161 CD2 PHE A 10 -3.552 21.776 -1.945 1.00 0.00 C ATOM 162 CE1 PHE A 10 -2.889 24.397 -1.392 1.00 0.00 C ATOM 163 CE2 PHE A 10 -4.548 22.709 -1.724 1.00 0.00 C ATOM 164 CZ PHE A 10 -4.216 24.020 -1.446 1.00 0.00 C ATOM 0 H PHE A 10 1.062 19.845 -2.153 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.182 21.735 -0.304 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.479 21.487 -2.925 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.589 20.202 -2.489 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.860 23.761 -1.568 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.817 20.752 -2.161 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.627 25.422 -1.177 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.586 22.412 -1.769 1.00 0.00 H new ATOM 0 HZ PHE A 10 -4.993 24.749 -1.271 1.00 0.00 H new ATOM 174 N ARG A 11 -0.643 19.738 1.251 1.00 0.00 N ATOM 175 CA ARG A 11 -1.239 18.786 2.180 1.00 0.00 C ATOM 176 C ARG A 11 -2.591 19.287 2.680 1.00 0.00 C ATOM 177 O ARG A 11 -2.824 20.493 2.767 1.00 0.00 O ATOM 178 CB ARG A 11 -0.303 18.545 3.366 1.00 0.00 C ATOM 179 CG ARG A 11 0.756 17.488 3.100 1.00 0.00 C ATOM 180 CD ARG A 11 0.210 16.084 3.317 1.00 0.00 C ATOM 181 NE ARG A 11 1.261 15.138 3.677 1.00 0.00 N ATOM 182 CZ ARG A 11 1.029 13.874 4.014 1.00 0.00 C ATOM 183 NH1 ARG A 11 -0.213 13.408 4.035 1.00 0.00 N ATOM 184 NH2 ARG A 11 2.038 13.073 4.329 1.00 0.00 N ATOM 0 H ARG A 11 0.056 20.353 1.668 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.393 17.846 1.649 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.189 19.482 3.627 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.895 18.245 4.230 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.119 17.584 2.077 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.610 17.653 3.757 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.543 16.106 4.104 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.288 15.744 2.409 1.00 0.00 H new ATOM 0 HE ARG A 11 2.227 15.465 3.670 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.992 14.020 3.792 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.389 12.437 4.294 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.994 13.427 4.313 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.858 12.103 4.587 1.00 0.00 H new ATOM 198 N ASN A 12 -3.480 18.353 3.005 1.00 0.00 N ATOM 199 CA ASN A 12 -4.809 18.701 3.495 1.00 0.00 C ATOM 200 C ASN A 12 -5.197 17.824 4.680 1.00 0.00 C ATOM 201 O ASN A 12 -4.673 16.724 4.850 1.00 0.00 O ATOM 202 CB ASN A 12 -5.842 18.552 2.375 1.00 0.00 C ATOM 203 CG ASN A 12 -5.955 19.801 1.523 1.00 0.00 C ATOM 204 OD1 ASN A 12 -5.780 19.752 0.305 1.00 0.00 O ATOM 205 ND2 ASN A 12 -6.249 20.927 2.160 1.00 0.00 N ATOM 0 H ASN A 12 -3.304 17.351 2.938 1.00 0.00 H new ATOM 0 HA ASN A 12 -4.788 19.739 3.826 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.569 17.707 1.742 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -6.815 18.323 2.810 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -6.339 21.799 1.639 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -6.386 20.920 3.171 1.00 0.00 H new ATOM 212 N GLU A 13 -6.122 18.320 5.499 1.00 0.00 N ATOM 213 CA GLU A 13 -6.580 17.581 6.669 1.00 0.00 C ATOM 214 C GLU A 13 -7.330 16.317 6.256 1.00 0.00 C ATOM 215 O GLU A 13 -7.755 16.182 5.108 1.00 0.00 O ATOM 216 CB GLU A 13 -7.483 18.462 7.534 1.00 0.00 C ATOM 217 CG GLU A 13 -6.721 19.337 8.516 1.00 0.00 C ATOM 218 CD GLU A 13 -5.928 20.432 7.829 1.00 0.00 C ATOM 219 OE1 GLU A 13 -6.551 21.406 7.357 1.00 0.00 O ATOM 220 OE2 GLU A 13 -4.687 20.315 7.763 1.00 0.00 O ATOM 0 H GLU A 13 -6.567 19.229 5.373 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.704 17.290 7.249 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.085 19.098 6.885 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.174 17.826 8.087 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.424 19.788 9.216 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.043 18.715 9.101 1.00 0.00 H new ATOM 227 N PHE A 14 -7.487 15.395 7.199 1.00 0.00 N ATOM 228 CA PHE A 14 -8.184 14.142 6.934 1.00 0.00 C ATOM 229 C PHE A 14 -9.611 14.188 7.472 1.00 0.00 C ATOM 230 O PHE A 14 -10.575 14.201 6.707 1.00 0.00 O ATOM 231 CB PHE A 14 -7.427 12.970 7.564 1.00 0.00 C ATOM 232 CG PHE A 14 -5.975 12.918 7.180 1.00 0.00 C ATOM 233 CD1 PHE A 14 -5.034 13.655 7.880 1.00 0.00 C ATOM 234 CD2 PHE A 14 -5.554 12.133 6.119 1.00 0.00 C ATOM 235 CE1 PHE A 14 -3.698 13.609 7.528 1.00 0.00 C ATOM 236 CE2 PHE A 14 -4.219 12.083 5.762 1.00 0.00 C ATOM 237 CZ PHE A 14 -3.289 12.822 6.468 1.00 0.00 C ATOM 0 H PHE A 14 -7.141 15.492 8.154 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.227 14.001 5.854 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -7.505 13.038 8.649 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.907 12.037 7.268 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -5.347 14.272 8.709 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.277 11.553 5.564 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.974 14.188 8.081 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.904 11.467 4.933 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.245 12.785 6.192 1.00 0.00 H new ATOM 247 N ASP A 15 -9.737 14.213 8.795 1.00 0.00 N ATOM 248 CA ASP A 15 -11.045 14.258 9.436 1.00 0.00 C ATOM 249 C ASP A 15 -11.867 15.432 8.913 1.00 0.00 C ATOM 250 O ASP A 15 -13.098 15.385 8.900 1.00 0.00 O ATOM 251 CB ASP A 15 -10.889 14.365 10.955 1.00 0.00 C ATOM 252 CG ASP A 15 -10.246 15.670 11.379 1.00 0.00 C ATOM 253 OD1 ASP A 15 -10.936 16.711 11.345 1.00 0.00 O ATOM 254 OD2 ASP A 15 -9.052 15.653 11.747 1.00 0.00 O ATOM 0 H ASP A 15 -8.949 14.203 9.443 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.571 13.334 9.196 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.868 14.276 11.425 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -10.285 13.532 11.315 1.00 0.00 H new ATOM 259 N HIS A 16 -11.179 16.486 8.485 1.00 0.00 N ATOM 260 CA HIS A 16 -11.845 17.672 7.961 1.00 0.00 C ATOM 261 C HIS A 16 -12.469 17.388 6.598 1.00 0.00 C ATOM 262 O HIS A 16 -13.616 17.753 6.341 1.00 0.00 O ATOM 263 CB HIS A 16 -10.854 18.832 7.850 1.00 0.00 C ATOM 264 CG HIS A 16 -11.468 20.096 7.334 1.00 0.00 C ATOM 265 ND1 HIS A 16 -12.639 20.624 7.835 1.00 0.00 N ATOM 266 CD2 HIS A 16 -11.066 20.941 6.356 1.00 0.00 C ATOM 267 CE1 HIS A 16 -12.932 21.737 7.187 1.00 0.00 C ATOM 268 NE2 HIS A 16 -11.992 21.952 6.284 1.00 0.00 N ATOM 0 H HIS A 16 -10.161 16.542 8.491 1.00 0.00 H new ATOM 0 HA HIS A 16 -12.640 17.948 8.654 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -10.419 19.023 8.831 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -10.037 18.539 7.191 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.181 20.839 5.746 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -13.793 22.364 7.365 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -11.959 22.741 5.638 1.00 0.00 H new ATOM 276 N LEU A 17 -11.706 16.735 5.729 1.00 0.00 N ATOM 277 CA LEU A 17 -12.183 16.403 4.391 1.00 0.00 C ATOM 278 C LEU A 17 -12.498 14.914 4.280 1.00 0.00 C ATOM 279 O LEU A 17 -11.594 14.079 4.235 1.00 0.00 O ATOM 280 CB LEU A 17 -11.139 16.794 3.343 1.00 0.00 C ATOM 281 CG LEU A 17 -10.930 18.294 3.134 1.00 0.00 C ATOM 282 CD1 LEU A 17 -9.931 18.542 2.013 1.00 0.00 C ATOM 283 CD2 LEU A 17 -12.253 18.981 2.832 1.00 0.00 C ATOM 0 H LEU A 17 -10.755 16.425 5.927 1.00 0.00 H new ATOM 0 HA LEU A 17 -13.099 16.965 4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -10.185 16.350 3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.426 16.351 2.390 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.526 18.716 4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.794 19.615 1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.976 18.084 2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.306 18.105 1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.084 20.048 2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.686 18.555 1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.939 18.833 3.666 1.00 0.00 H new ATOM 295 N LEU A 18 -13.785 14.589 4.234 1.00 0.00 N ATOM 296 CA LEU A 18 -14.221 13.201 4.125 1.00 0.00 C ATOM 297 C LEU A 18 -13.564 12.516 2.930 1.00 0.00 C ATOM 298 O LEU A 18 -12.789 11.573 3.091 1.00 0.00 O ATOM 299 CB LEU A 18 -15.743 13.132 3.993 1.00 0.00 C ATOM 300 CG LEU A 18 -16.514 12.829 5.278 1.00 0.00 C ATOM 301 CD1 LEU A 18 -16.062 13.749 6.402 1.00 0.00 C ATOM 302 CD2 LEU A 18 -18.011 12.963 5.046 1.00 0.00 C ATOM 0 H LEU A 18 -14.545 15.268 4.270 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.917 12.679 5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -16.097 14.084 3.596 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -15.990 12.368 3.256 1.00 0.00 H new ATOM 0 HG LEU A 18 -16.303 11.801 5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -16.622 13.518 7.308 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -14.998 13.603 6.586 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -16.242 14.786 6.118 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -18.544 12.744 5.971 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -18.240 13.980 4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -18.324 12.262 4.272 1.00 0.00 H new ATOM 314 N ILE A 19 -13.878 12.999 1.733 1.00 0.00 N ATOM 315 CA ILE A 19 -13.316 12.436 0.511 1.00 0.00 C ATOM 316 C ILE A 19 -11.799 12.312 0.611 1.00 0.00 C ATOM 317 O ILE A 19 -11.226 11.284 0.250 1.00 0.00 O ATOM 318 CB ILE A 19 -13.670 13.292 -0.718 1.00 0.00 C ATOM 319 CG1 ILE A 19 -15.161 13.173 -1.038 1.00 0.00 C ATOM 320 CG2 ILE A 19 -12.831 12.872 -1.917 1.00 0.00 C ATOM 321 CD1 ILE A 19 -15.579 11.782 -1.461 1.00 0.00 C ATOM 0 H ILE A 19 -14.518 13.779 1.583 1.00 0.00 H new ATOM 0 HA ILE A 19 -13.752 11.445 0.390 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.448 14.335 -0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -15.737 13.466 -0.160 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -15.411 13.876 -1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.093 13.487 -2.778 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.774 13.004 -1.686 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.024 11.824 -2.147 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -16.648 11.772 -1.672 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -15.030 11.494 -2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -15.361 11.077 -0.659 1.00 0.00 H new ATOM 333 N GLU A 20 -11.155 13.365 1.103 1.00 0.00 N ATOM 334 CA GLU A 20 -9.705 13.373 1.251 1.00 0.00 C ATOM 335 C GLU A 20 -9.228 12.137 2.009 1.00 0.00 C ATOM 336 O GLU A 20 -8.358 11.406 1.537 1.00 0.00 O ATOM 337 CB GLU A 20 -9.251 14.638 1.982 1.00 0.00 C ATOM 338 CG GLU A 20 -7.745 14.847 1.959 1.00 0.00 C ATOM 339 CD GLU A 20 -7.156 14.693 0.571 1.00 0.00 C ATOM 340 OE1 GLU A 20 -6.853 13.547 0.179 1.00 0.00 O ATOM 341 OE2 GLU A 20 -6.997 15.719 -0.124 1.00 0.00 O ATOM 0 H GLU A 20 -11.615 14.224 1.406 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.265 13.360 0.254 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.736 15.503 1.530 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.587 14.589 3.018 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.514 15.842 2.339 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.272 14.131 2.632 1.00 0.00 H new ATOM 348 N GLN A 21 -9.805 11.912 3.184 1.00 0.00 N ATOM 349 CA GLN A 21 -9.439 10.765 4.008 1.00 0.00 C ATOM 350 C GLN A 21 -9.710 9.458 3.272 1.00 0.00 C ATOM 351 O GLN A 21 -8.919 8.517 3.344 1.00 0.00 O ATOM 352 CB GLN A 21 -10.211 10.791 5.328 1.00 0.00 C ATOM 353 CG GLN A 21 -9.574 9.949 6.422 1.00 0.00 C ATOM 354 CD GLN A 21 -9.967 8.488 6.337 1.00 0.00 C ATOM 355 OE1 GLN A 21 -11.139 8.158 6.148 1.00 0.00 O ATOM 356 NE2 GLN A 21 -8.988 7.602 6.475 1.00 0.00 N ATOM 0 H GLN A 21 -10.528 12.508 3.588 1.00 0.00 H new ATOM 0 HA GLN A 21 -8.371 10.827 4.219 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.289 11.822 5.673 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.226 10.436 5.152 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.489 10.034 6.356 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.866 10.344 7.395 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.031 7.919 6.630 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.193 6.604 6.426 1.00 0.00 H new ATOM 365 N ALA A 22 -10.834 9.405 2.564 1.00 0.00 N ATOM 366 CA ALA A 22 -11.209 8.212 1.814 1.00 0.00 C ATOM 367 C ALA A 22 -10.187 7.906 0.725 1.00 0.00 C ATOM 368 O ALA A 22 -9.762 6.763 0.563 1.00 0.00 O ATOM 369 CB ALA A 22 -12.593 8.384 1.207 1.00 0.00 C ATOM 0 H ALA A 22 -11.500 10.174 2.494 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.229 7.369 2.505 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.860 7.486 0.650 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.321 8.548 2.002 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.591 9.241 0.534 1.00 0.00 H new ATOM 375 N ASN A 23 -9.796 8.934 -0.021 1.00 0.00 N ATOM 376 CA ASN A 23 -8.823 8.774 -1.096 1.00 0.00 C ATOM 377 C ASN A 23 -7.479 8.308 -0.548 1.00 0.00 C ATOM 378 O ASN A 23 -6.814 7.459 -1.143 1.00 0.00 O ATOM 379 CB ASN A 23 -8.649 10.091 -1.855 1.00 0.00 C ATOM 380 CG ASN A 23 -9.279 10.052 -3.234 1.00 0.00 C ATOM 381 OD1 ASN A 23 -8.702 9.509 -4.177 1.00 0.00 O ATOM 382 ND2 ASN A 23 -10.468 10.629 -3.358 1.00 0.00 N ATOM 0 H ASN A 23 -10.138 9.887 0.099 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.198 8.014 -1.782 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -9.095 10.901 -1.278 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.586 10.314 -1.950 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.941 10.634 -4.262 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.909 11.067 -2.549 1.00 0.00 H new ATOM 389 N HIS A 24 -7.083 8.869 0.590 1.00 0.00 N ATOM 390 CA HIS A 24 -5.817 8.510 1.219 1.00 0.00 C ATOM 391 C HIS A 24 -5.829 7.053 1.671 1.00 0.00 C ATOM 392 O HIS A 24 -4.846 6.333 1.502 1.00 0.00 O ATOM 393 CB HIS A 24 -5.540 9.424 2.413 1.00 0.00 C ATOM 394 CG HIS A 24 -4.963 10.752 2.030 1.00 0.00 C ATOM 395 ND1 HIS A 24 -5.277 11.926 2.683 1.00 0.00 N ATOM 396 CD2 HIS A 24 -4.086 11.089 1.055 1.00 0.00 C ATOM 397 CE1 HIS A 24 -4.619 12.926 2.125 1.00 0.00 C ATOM 398 NE2 HIS A 24 -3.889 12.445 1.135 1.00 0.00 N ATOM 0 H HIS A 24 -7.620 9.574 1.095 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.024 8.637 0.482 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -6.469 9.585 2.960 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -4.853 8.921 3.093 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -5.917 12.009 3.473 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.627 10.416 0.346 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -4.669 13.962 2.427 1.00 0.00 H new ATOM 406 N ALA A 25 -6.948 6.626 2.247 1.00 0.00 N ATOM 407 CA ALA A 25 -7.087 5.255 2.722 1.00 0.00 C ATOM 408 C ALA A 25 -7.011 4.263 1.566 1.00 0.00 C ATOM 409 O ALA A 25 -6.247 3.300 1.613 1.00 0.00 O ATOM 410 CB ALA A 25 -8.398 5.090 3.477 1.00 0.00 C ATOM 0 H ALA A 25 -7.771 7.210 2.396 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.260 5.045 3.400 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.490 4.062 3.826 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.413 5.766 4.332 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.231 5.324 2.814 1.00 0.00 H new ATOM 416 N ILE A 26 -7.809 4.506 0.532 1.00 0.00 N ATOM 417 CA ILE A 26 -7.830 3.633 -0.636 1.00 0.00 C ATOM 418 C ILE A 26 -6.491 3.657 -1.365 1.00 0.00 C ATOM 419 O ILE A 26 -6.078 2.661 -1.957 1.00 0.00 O ATOM 420 CB ILE A 26 -8.944 4.038 -1.620 1.00 0.00 C ATOM 421 CG1 ILE A 26 -8.682 5.439 -2.175 1.00 0.00 C ATOM 422 CG2 ILE A 26 -10.302 3.978 -0.936 1.00 0.00 C ATOM 423 CD1 ILE A 26 -9.722 5.899 -3.171 1.00 0.00 C ATOM 0 H ILE A 26 -8.449 5.299 0.479 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.025 2.624 -0.273 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.946 3.334 -2.452 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.645 6.148 -1.348 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.702 5.454 -2.652 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.079 4.267 -1.644 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.489 2.963 -0.586 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.312 4.662 -0.087 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.472 6.900 -3.522 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.744 5.213 -4.017 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.701 5.916 -2.693 1.00 0.00 H new ATOM 435 N GLU A 27 -5.815 4.801 -1.314 1.00 0.00 N ATOM 436 CA GLU A 27 -4.522 4.954 -1.969 1.00 0.00 C ATOM 437 C GLU A 27 -3.464 4.083 -1.294 1.00 0.00 C ATOM 438 O GLU A 27 -2.740 3.341 -1.956 1.00 0.00 O ATOM 439 CB GLU A 27 -4.083 6.418 -1.946 1.00 0.00 C ATOM 440 CG GLU A 27 -4.567 7.218 -3.144 1.00 0.00 C ATOM 441 CD GLU A 27 -4.038 8.639 -3.150 1.00 0.00 C ATOM 442 OE1 GLU A 27 -2.836 8.824 -3.438 1.00 0.00 O ATOM 443 OE2 GLU A 27 -4.825 9.566 -2.868 1.00 0.00 O ATOM 0 H GLU A 27 -6.142 5.635 -0.826 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.628 4.631 -3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.454 6.885 -1.034 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.995 6.462 -1.907 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.258 6.715 -4.060 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.657 7.240 -3.145 1.00 0.00 H new ATOM 450 N LYS A 28 -3.382 4.183 0.029 1.00 0.00 N ATOM 451 CA LYS A 28 -2.416 3.406 0.796 1.00 0.00 C ATOM 452 C LYS A 28 -2.695 1.913 0.669 1.00 0.00 C ATOM 453 O LYS A 28 -1.778 1.113 0.489 1.00 0.00 O ATOM 454 CB LYS A 28 -2.453 3.821 2.268 1.00 0.00 C ATOM 455 CG LYS A 28 -1.441 3.086 3.132 1.00 0.00 C ATOM 456 CD LYS A 28 -1.534 3.515 4.587 1.00 0.00 C ATOM 457 CE LYS A 28 -0.957 4.907 4.796 1.00 0.00 C ATOM 458 NZ LYS A 28 0.511 4.942 4.551 1.00 0.00 N ATOM 0 H LYS A 28 -3.973 4.795 0.592 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.423 3.606 0.393 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.269 4.893 2.340 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.453 3.642 2.662 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.609 2.012 3.057 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.435 3.278 2.759 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.576 3.500 4.906 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.999 2.801 5.213 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.454 5.610 4.127 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.163 5.236 5.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.918 5.787 5.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.951 4.090 4.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.691 4.973 3.527 1.00 0.00 H new ATOM 472 N GLY A 29 -3.969 1.543 0.765 1.00 0.00 N ATOM 473 CA GLY A 29 -4.346 0.146 0.657 1.00 0.00 C ATOM 474 C GLY A 29 -4.076 -0.423 -0.722 1.00 0.00 C ATOM 475 O GLY A 29 -3.650 -1.570 -0.855 1.00 0.00 O ATOM 0 H GLY A 29 -4.746 2.186 0.916 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.797 -0.434 1.399 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.406 0.040 0.889 1.00 0.00 H new ATOM 479 N GLU A 30 -4.329 0.380 -1.751 1.00 0.00 N ATOM 480 CA GLU A 30 -4.114 -0.053 -3.127 1.00 0.00 C ATOM 481 C GLU A 30 -2.625 -0.224 -3.417 1.00 0.00 C ATOM 482 O GLU A 30 -2.216 -1.175 -4.085 1.00 0.00 O ATOM 483 CB GLU A 30 -4.722 0.957 -4.103 1.00 0.00 C ATOM 484 CG GLU A 30 -4.889 0.415 -5.513 1.00 0.00 C ATOM 485 CD GLU A 30 -3.754 0.820 -6.432 1.00 0.00 C ATOM 486 OE1 GLU A 30 -2.701 1.254 -5.919 1.00 0.00 O ATOM 487 OE2 GLU A 30 -3.918 0.707 -7.665 1.00 0.00 O ATOM 0 H GLU A 30 -4.682 1.332 -1.658 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.605 -1.017 -3.259 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.695 1.273 -3.727 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.089 1.844 -4.136 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.950 -0.673 -5.475 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.832 0.773 -5.927 1.00 0.00 H new ATOM 494 N HIS A 31 -1.819 0.704 -2.910 1.00 0.00 N ATOM 495 CA HIS A 31 -0.375 0.657 -3.114 1.00 0.00 C ATOM 496 C HIS A 31 0.234 -0.549 -2.406 1.00 0.00 C ATOM 497 O HIS A 31 0.942 -1.347 -3.020 1.00 0.00 O ATOM 498 CB HIS A 31 0.275 1.944 -2.605 1.00 0.00 C ATOM 499 CG HIS A 31 1.772 1.921 -2.661 1.00 0.00 C ATOM 500 ND1 HIS A 31 2.569 2.572 -1.743 1.00 0.00 N ATOM 501 CD2 HIS A 31 2.616 1.319 -3.531 1.00 0.00 C ATOM 502 CE1 HIS A 31 3.839 2.373 -2.047 1.00 0.00 C ATOM 503 NE2 HIS A 31 3.895 1.616 -3.128 1.00 0.00 N ATOM 0 H HIS A 31 -2.141 1.497 -2.355 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.186 0.562 -4.183 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.090 2.784 -3.196 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -0.039 2.118 -1.576 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.336 0.717 -4.383 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.687 2.763 -1.504 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.749 1.303 -3.589 1.00 0.00 H new ATOM 511 N GLN A 32 -0.046 -0.673 -1.113 1.00 0.00 N ATOM 512 CA GLN A 32 0.477 -1.781 -0.322 1.00 0.00 C ATOM 513 C GLN A 32 -0.038 -3.116 -0.849 1.00 0.00 C ATOM 514 O GLN A 32 0.651 -4.135 -0.770 1.00 0.00 O ATOM 515 CB GLN A 32 0.087 -1.615 1.148 1.00 0.00 C ATOM 516 CG GLN A 32 -1.336 -2.052 1.453 1.00 0.00 C ATOM 517 CD GLN A 32 -1.436 -3.529 1.779 1.00 0.00 C ATOM 518 OE1 GLN A 32 -2.227 -4.258 1.177 1.00 0.00 O ATOM 519 NE2 GLN A 32 -0.632 -3.982 2.734 1.00 0.00 N ATOM 0 H GLN A 32 -0.631 -0.021 -0.591 1.00 0.00 H new ATOM 0 HA GLN A 32 1.564 -1.773 -0.405 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.776 -2.192 1.765 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.205 -0.569 1.431 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.718 -1.472 2.293 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.972 -1.829 0.596 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.008 -3.344 3.207 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -0.654 -4.968 2.994 1.00 0.00 H new ATOM 528 N LEU A 33 -1.254 -3.106 -1.384 1.00 0.00 N ATOM 529 CA LEU A 33 -1.862 -4.317 -1.925 1.00 0.00 C ATOM 530 C LEU A 33 -1.119 -4.792 -3.169 1.00 0.00 C ATOM 531 O LEU A 33 -0.726 -5.955 -3.264 1.00 0.00 O ATOM 532 CB LEU A 33 -3.333 -4.065 -2.261 1.00 0.00 C ATOM 533 CG LEU A 33 -4.084 -5.234 -2.901 1.00 0.00 C ATOM 534 CD1 LEU A 33 -3.883 -5.237 -4.408 1.00 0.00 C ATOM 535 CD2 LEU A 33 -3.629 -6.555 -2.298 1.00 0.00 C ATOM 0 H LEU A 33 -1.838 -2.273 -1.455 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.796 -5.097 -1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.852 -3.784 -1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.390 -3.210 -2.935 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.148 -5.112 -2.697 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.425 -6.076 -4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.259 -4.304 -4.827 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.821 -5.334 -4.633 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.174 -7.375 -2.765 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.561 -6.685 -2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.826 -6.553 -1.226 1.00 0.00 H new ATOM 547 N LEU A 34 -0.926 -3.884 -4.120 1.00 0.00 N ATOM 548 CA LEU A 34 -0.226 -4.210 -5.358 1.00 0.00 C ATOM 549 C LEU A 34 1.206 -4.653 -5.074 1.00 0.00 C ATOM 550 O LEU A 34 1.719 -5.572 -5.711 1.00 0.00 O ATOM 551 CB LEU A 34 -0.222 -3.002 -6.296 1.00 0.00 C ATOM 552 CG LEU A 34 -1.584 -2.571 -6.843 1.00 0.00 C ATOM 553 CD1 LEU A 34 -1.464 -1.255 -7.595 1.00 0.00 C ATOM 554 CD2 LEU A 34 -2.163 -3.652 -7.744 1.00 0.00 C ATOM 0 H LEU A 34 -1.244 -2.917 -4.058 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.752 -5.035 -5.839 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.218 -2.157 -5.766 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.432 -3.224 -7.139 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.263 -2.425 -6.003 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.442 -0.964 -7.977 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.093 -0.483 -6.921 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.770 -1.373 -8.427 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.132 -3.328 -8.124 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.486 -3.830 -8.580 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.286 -4.573 -7.174 1.00 0.00 H new ATOM 566 N TYR A 35 1.843 -3.994 -4.113 1.00 0.00 N ATOM 567 CA TYR A 35 3.215 -4.320 -3.745 1.00 0.00 C ATOM 568 C TYR A 35 3.301 -5.721 -3.146 1.00 0.00 C ATOM 569 O TYR A 35 4.142 -6.529 -3.543 1.00 0.00 O ATOM 570 CB TYR A 35 3.756 -3.293 -2.749 1.00 0.00 C ATOM 571 CG TYR A 35 5.218 -3.487 -2.412 1.00 0.00 C ATOM 572 CD1 TYR A 35 5.611 -4.394 -1.435 1.00 0.00 C ATOM 573 CD2 TYR A 35 6.205 -2.764 -3.069 1.00 0.00 C ATOM 574 CE1 TYR A 35 6.944 -4.574 -1.123 1.00 0.00 C ATOM 575 CE2 TYR A 35 7.541 -2.939 -2.765 1.00 0.00 C ATOM 576 CZ TYR A 35 7.905 -3.845 -1.790 1.00 0.00 C ATOM 577 OH TYR A 35 9.236 -4.021 -1.484 1.00 0.00 O ATOM 0 H TYR A 35 1.431 -3.231 -3.575 1.00 0.00 H new ATOM 0 HA TYR A 35 3.823 -4.294 -4.650 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.616 -2.293 -3.159 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.170 -3.346 -1.831 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.861 -4.968 -0.911 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.923 -2.052 -3.831 1.00 0.00 H new ATOM 0 HE1 TYR A 35 7.232 -5.282 -0.360 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.296 -2.370 -3.287 1.00 0.00 H new ATOM 0 HH TYR A 35 9.782 -3.432 -2.046 1.00 0.00 H new ATOM 587 N LEU A 36 2.425 -6.001 -2.188 1.00 0.00 N ATOM 588 CA LEU A 36 2.398 -7.305 -1.532 1.00 0.00 C ATOM 589 C LEU A 36 1.986 -8.398 -2.512 1.00 0.00 C ATOM 590 O LEU A 36 2.372 -9.557 -2.361 1.00 0.00 O ATOM 591 CB LEU A 36 1.437 -7.280 -0.342 1.00 0.00 C ATOM 592 CG LEU A 36 0.011 -7.754 -0.623 1.00 0.00 C ATOM 593 CD1 LEU A 36 -0.094 -9.262 -0.452 1.00 0.00 C ATOM 594 CD2 LEU A 36 -0.977 -7.042 0.291 1.00 0.00 C ATOM 0 H LEU A 36 1.724 -5.343 -1.848 1.00 0.00 H new ATOM 0 HA LEU A 36 3.403 -7.525 -1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.855 -7.900 0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.391 -6.261 0.041 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.237 -7.508 -1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.116 -9.581 -0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.586 -9.755 -1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.173 -9.532 0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.987 -7.391 0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.731 -7.257 1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.921 -5.967 0.120 1.00 0.00 H new ATOM 606 N GLN A 37 1.201 -8.021 -3.516 1.00 0.00 N ATOM 607 CA GLN A 37 0.737 -8.970 -4.520 1.00 0.00 C ATOM 608 C GLN A 37 1.902 -9.775 -5.088 1.00 0.00 C ATOM 609 O GLN A 37 1.791 -10.983 -5.301 1.00 0.00 O ATOM 610 CB GLN A 37 0.011 -8.236 -5.650 1.00 0.00 C ATOM 611 CG GLN A 37 -1.094 -9.057 -6.296 1.00 0.00 C ATOM 612 CD GLN A 37 -2.131 -8.195 -6.989 1.00 0.00 C ATOM 613 OE1 GLN A 37 -1.872 -7.624 -8.049 1.00 0.00 O ATOM 614 NE2 GLN A 37 -3.313 -8.097 -6.394 1.00 0.00 N ATOM 0 H GLN A 37 0.873 -7.065 -3.655 1.00 0.00 H new ATOM 0 HA GLN A 37 0.043 -9.659 -4.038 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.415 -7.313 -5.258 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.736 -7.953 -6.413 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.655 -9.744 -7.020 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.582 -9.665 -5.535 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.484 -8.587 -5.516 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.050 -7.531 -6.815 1.00 0.00 H new ATOM 623 N HIS A 38 3.020 -9.098 -5.330 1.00 0.00 N ATOM 624 CA HIS A 38 4.206 -9.750 -5.873 1.00 0.00 C ATOM 625 C HIS A 38 4.712 -10.833 -4.926 1.00 0.00 C ATOM 626 O HIS A 38 4.917 -11.978 -5.331 1.00 0.00 O ATOM 627 CB HIS A 38 5.309 -8.721 -6.125 1.00 0.00 C ATOM 628 CG HIS A 38 6.158 -9.033 -7.318 1.00 0.00 C ATOM 629 ND1 HIS A 38 6.815 -10.235 -7.482 1.00 0.00 N ATOM 630 CD2 HIS A 38 6.455 -8.293 -8.412 1.00 0.00 C ATOM 631 CE1 HIS A 38 7.480 -10.219 -8.623 1.00 0.00 C ATOM 632 NE2 HIS A 38 7.278 -9.052 -9.207 1.00 0.00 N ATOM 0 H HIS A 38 3.129 -8.098 -5.159 1.00 0.00 H new ATOM 0 HA HIS A 38 3.932 -10.218 -6.819 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.855 -7.739 -6.259 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.946 -8.660 -5.242 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.109 -7.291 -8.621 1.00 0.00 H new ATOM 0 HE1 HIS A 38 8.086 -11.024 -9.012 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.670 -8.762 -10.103 1.00 0.00 H new ATOM 640 N GLN A 39 4.909 -10.465 -3.664 1.00 0.00 N ATOM 641 CA GLN A 39 5.392 -11.406 -2.660 1.00 0.00 C ATOM 642 C GLN A 39 4.506 -12.646 -2.606 1.00 0.00 C ATOM 643 O GLN A 39 4.996 -13.769 -2.475 1.00 0.00 O ATOM 644 CB GLN A 39 5.440 -10.738 -1.285 1.00 0.00 C ATOM 645 CG GLN A 39 6.165 -9.402 -1.284 1.00 0.00 C ATOM 646 CD GLN A 39 7.442 -9.429 -2.100 1.00 0.00 C ATOM 647 OE1 GLN A 39 7.539 -8.782 -3.143 1.00 0.00 O ATOM 648 NE2 GLN A 39 8.430 -10.181 -1.630 1.00 0.00 N ATOM 0 H GLN A 39 4.742 -9.522 -3.313 1.00 0.00 H new ATOM 0 HA GLN A 39 6.399 -11.713 -2.941 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.421 -10.590 -0.926 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.931 -11.409 -0.581 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.502 -8.633 -1.680 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.401 -9.122 -0.257 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.306 -10.701 -0.761 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.313 -10.239 -2.138 1.00 0.00 H new ATOM 657 N LEU A 40 3.197 -12.436 -2.707 1.00 0.00 N ATOM 658 CA LEU A 40 2.240 -13.537 -2.668 1.00 0.00 C ATOM 659 C LEU A 40 2.419 -14.456 -3.872 1.00 0.00 C ATOM 660 O LEU A 40 2.492 -15.677 -3.728 1.00 0.00 O ATOM 661 CB LEU A 40 0.810 -12.995 -2.634 1.00 0.00 C ATOM 662 CG LEU A 40 -0.289 -13.975 -3.045 1.00 0.00 C ATOM 663 CD1 LEU A 40 -1.505 -13.821 -2.146 1.00 0.00 C ATOM 664 CD2 LEU A 40 -0.670 -13.768 -4.504 1.00 0.00 C ATOM 0 H LEU A 40 2.775 -11.514 -2.816 1.00 0.00 H new ATOM 0 HA LEU A 40 2.424 -14.115 -1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.599 -12.647 -1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.757 -12.125 -3.289 1.00 0.00 H new ATOM 0 HG LEU A 40 0.094 -14.989 -2.931 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.277 -14.527 -2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.221 -14.021 -1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.890 -12.804 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.453 -14.474 -4.779 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.033 -12.750 -4.644 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.204 -13.932 -5.135 1.00 0.00 H new ATOM 676 N ASP A 41 2.492 -13.863 -5.058 1.00 0.00 N ATOM 677 CA ASP A 41 2.666 -14.627 -6.287 1.00 0.00 C ATOM 678 C ASP A 41 3.881 -15.545 -6.188 1.00 0.00 C ATOM 679 O ASP A 41 3.811 -16.721 -6.543 1.00 0.00 O ATOM 680 CB ASP A 41 2.820 -13.684 -7.482 1.00 0.00 C ATOM 681 CG ASP A 41 2.347 -14.311 -8.778 1.00 0.00 C ATOM 682 OD1 ASP A 41 1.260 -14.928 -8.779 1.00 0.00 O ATOM 683 OD2 ASP A 41 3.063 -14.186 -9.794 1.00 0.00 O ATOM 0 H ASP A 41 2.433 -12.854 -5.194 1.00 0.00 H new ATOM 0 HA ASP A 41 1.778 -15.242 -6.432 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.255 -12.771 -7.296 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.867 -13.396 -7.582 1.00 0.00 H new ATOM 688 N GLU A 42 4.992 -14.999 -5.705 1.00 0.00 N ATOM 689 CA GLU A 42 6.221 -15.770 -5.561 1.00 0.00 C ATOM 690 C GLU A 42 6.132 -16.720 -4.371 1.00 0.00 C ATOM 691 O GLU A 42 6.766 -17.776 -4.356 1.00 0.00 O ATOM 692 CB GLU A 42 7.419 -14.833 -5.392 1.00 0.00 C ATOM 693 CG GLU A 42 7.429 -14.091 -4.065 1.00 0.00 C ATOM 694 CD GLU A 42 8.722 -13.335 -3.829 1.00 0.00 C ATOM 695 OE1 GLU A 42 9.389 -12.978 -4.823 1.00 0.00 O ATOM 696 OE2 GLU A 42 9.067 -13.101 -2.652 1.00 0.00 O ATOM 0 H GLU A 42 5.066 -14.026 -5.407 1.00 0.00 H new ATOM 0 HA GLU A 42 6.356 -16.362 -6.466 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.338 -15.412 -5.482 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.419 -14.107 -6.205 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.593 -13.392 -4.038 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.275 -14.803 -3.254 1.00 0.00 H new ATOM 703 N LEU A 43 5.340 -16.338 -3.375 1.00 0.00 N ATOM 704 CA LEU A 43 5.167 -17.155 -2.179 1.00 0.00 C ATOM 705 C LEU A 43 4.394 -18.431 -2.498 1.00 0.00 C ATOM 706 O LEU A 43 4.602 -19.468 -1.870 1.00 0.00 O ATOM 707 CB LEU A 43 4.437 -16.361 -1.095 1.00 0.00 C ATOM 708 CG LEU A 43 4.089 -17.129 0.180 1.00 0.00 C ATOM 709 CD1 LEU A 43 5.224 -17.036 1.187 1.00 0.00 C ATOM 710 CD2 LEU A 43 2.795 -16.600 0.783 1.00 0.00 C ATOM 0 H LEU A 43 4.808 -15.468 -3.372 1.00 0.00 H new ATOM 0 HA LEU A 43 6.156 -17.432 -1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.054 -15.505 -0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.514 -15.967 -1.521 1.00 0.00 H new ATOM 0 HG LEU A 43 3.946 -18.178 -0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.957 -17.589 2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.130 -17.462 0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.400 -15.991 1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.562 -17.158 1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.912 -15.544 1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.984 -16.719 0.065 1.00 0.00 H new ATOM 722 N ASN A 44 3.504 -18.346 -3.480 1.00 0.00 N ATOM 723 CA ASN A 44 2.700 -19.494 -3.885 1.00 0.00 C ATOM 724 C ASN A 44 3.583 -20.706 -4.162 1.00 0.00 C ATOM 725 O ASN A 44 3.254 -21.829 -3.778 1.00 0.00 O ATOM 726 CB ASN A 44 1.877 -19.155 -5.129 1.00 0.00 C ATOM 727 CG ASN A 44 0.530 -18.549 -4.784 1.00 0.00 C ATOM 728 OD1 ASN A 44 -0.495 -18.925 -5.352 1.00 0.00 O ATOM 729 ND2 ASN A 44 0.528 -17.607 -3.848 1.00 0.00 N ATOM 0 H ASN A 44 3.321 -17.494 -4.011 1.00 0.00 H new ATOM 0 HA ASN A 44 2.024 -19.738 -3.066 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.437 -18.458 -5.753 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.725 -20.059 -5.718 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.348 -17.163 -3.573 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.403 -17.327 -3.404 1.00 0.00 H new ATOM 736 N GLU A 45 4.709 -20.472 -4.830 1.00 0.00 N ATOM 737 CA GLU A 45 5.640 -21.545 -5.159 1.00 0.00 C ATOM 738 C GLU A 45 6.680 -21.718 -4.055 1.00 0.00 C ATOM 739 O GLU A 45 6.944 -22.833 -3.607 1.00 0.00 O ATOM 740 CB GLU A 45 6.335 -21.258 -6.490 1.00 0.00 C ATOM 741 CG GLU A 45 7.058 -22.461 -7.072 1.00 0.00 C ATOM 742 CD GLU A 45 6.118 -23.607 -7.390 1.00 0.00 C ATOM 743 OE1 GLU A 45 5.187 -23.406 -8.198 1.00 0.00 O ATOM 744 OE2 GLU A 45 6.314 -24.707 -6.830 1.00 0.00 O ATOM 0 H GLU A 45 4.998 -19.549 -5.154 1.00 0.00 H new ATOM 0 HA GLU A 45 5.072 -22.471 -5.248 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.594 -20.907 -7.209 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.051 -20.448 -6.349 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.581 -22.162 -7.980 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.815 -22.802 -6.366 1.00 0.00 H new ATOM 751 N ASN A 46 7.268 -20.607 -3.625 1.00 0.00 N ATOM 752 CA ASN A 46 8.281 -20.635 -2.575 1.00 0.00 C ATOM 753 C ASN A 46 7.773 -21.386 -1.349 1.00 0.00 C ATOM 754 O ASN A 46 8.527 -22.100 -0.687 1.00 0.00 O ATOM 755 CB ASN A 46 8.681 -19.211 -2.185 1.00 0.00 C ATOM 756 CG ASN A 46 9.353 -18.467 -3.323 1.00 0.00 C ATOM 757 OD1 ASN A 46 9.317 -18.905 -4.473 1.00 0.00 O ATOM 758 ND2 ASN A 46 9.969 -17.334 -3.006 1.00 0.00 N ATOM 0 H ASN A 46 7.061 -19.676 -3.987 1.00 0.00 H new ATOM 0 HA ASN A 46 9.156 -21.158 -2.963 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.795 -18.661 -1.869 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.356 -19.247 -1.330 1.00 0.00 H new ATOM 0 HD21 ASN A 46 10.438 -16.789 -3.729 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.973 -17.009 -2.039 1.00 0.00 H new ATOM 765 N LYS A 47 6.488 -21.223 -1.052 1.00 0.00 N ATOM 766 CA LYS A 47 5.877 -21.886 0.094 1.00 0.00 C ATOM 767 C LYS A 47 6.725 -21.700 1.347 1.00 0.00 C ATOM 768 O LYS A 47 6.804 -22.591 2.193 1.00 0.00 O ATOM 769 CB LYS A 47 5.693 -23.378 -0.194 1.00 0.00 C ATOM 770 CG LYS A 47 4.618 -23.671 -1.226 1.00 0.00 C ATOM 771 CD LYS A 47 3.240 -23.271 -0.726 1.00 0.00 C ATOM 772 CE LYS A 47 2.154 -24.157 -1.318 1.00 0.00 C ATOM 773 NZ LYS A 47 2.267 -24.259 -2.798 1.00 0.00 N ATOM 0 H LYS A 47 5.849 -20.637 -1.590 1.00 0.00 H new ATOM 0 HA LYS A 47 4.901 -21.432 0.268 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.640 -23.792 -0.541 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.442 -23.890 0.735 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.841 -23.134 -2.148 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.624 -24.734 -1.467 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.213 -23.338 0.362 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.045 -22.231 -0.987 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.219 -25.153 -0.879 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.175 -23.756 -1.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.316 -24.282 -3.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.787 -23.436 -3.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.777 -25.130 -3.048 1.00 0.00 H new ATOM 787 N SER A 48 7.357 -20.536 1.461 1.00 0.00 N ATOM 788 CA SER A 48 8.202 -20.234 2.611 1.00 0.00 C ATOM 789 C SER A 48 7.354 -19.926 3.841 1.00 0.00 C ATOM 790 O SER A 48 6.417 -19.130 3.781 1.00 0.00 O ATOM 791 CB SER A 48 9.118 -19.050 2.299 1.00 0.00 C ATOM 792 OG SER A 48 10.466 -19.349 2.623 1.00 0.00 O ATOM 0 H SER A 48 7.300 -19.787 0.771 1.00 0.00 H new ATOM 0 HA SER A 48 8.813 -21.111 2.823 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.042 -18.796 1.242 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.791 -18.175 2.861 1.00 0.00 H new ATOM 0 HG SER A 48 11.032 -18.577 2.413 1.00 0.00 H new ATOM 798 N LYS A 49 7.690 -20.563 4.958 1.00 0.00 N ATOM 799 CA LYS A 49 6.964 -20.357 6.205 1.00 0.00 C ATOM 800 C LYS A 49 7.184 -18.946 6.738 1.00 0.00 C ATOM 801 O LYS A 49 6.287 -18.352 7.334 1.00 0.00 O ATOM 802 CB LYS A 49 7.404 -21.384 7.251 1.00 0.00 C ATOM 803 CG LYS A 49 8.912 -21.478 7.413 1.00 0.00 C ATOM 804 CD LYS A 49 9.471 -22.707 6.715 1.00 0.00 C ATOM 805 CE LYS A 49 10.823 -22.420 6.079 1.00 0.00 C ATOM 806 NZ LYS A 49 11.632 -23.660 5.912 1.00 0.00 N ATOM 0 H LYS A 49 8.461 -21.227 5.025 1.00 0.00 H new ATOM 0 HA LYS A 49 5.901 -20.487 6.002 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.959 -21.125 8.212 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.015 -22.363 6.973 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.380 -20.582 7.005 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.164 -21.514 8.473 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.571 -23.521 7.433 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.771 -23.042 5.949 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.675 -21.950 5.107 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.371 -21.709 6.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.546 -23.422 5.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.795 -24.096 6.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.120 -24.329 5.302 1.00 0.00 H new ATOM 820 N GLU A 50 8.383 -18.415 6.516 1.00 0.00 N ATOM 821 CA GLU A 50 8.720 -17.073 6.975 1.00 0.00 C ATOM 822 C GLU A 50 8.074 -16.016 6.082 1.00 0.00 C ATOM 823 O GLU A 50 7.521 -15.029 6.569 1.00 0.00 O ATOM 824 CB GLU A 50 10.237 -16.882 6.994 1.00 0.00 C ATOM 825 CG GLU A 50 10.895 -17.096 5.642 1.00 0.00 C ATOM 826 CD GLU A 50 12.410 -17.103 5.723 1.00 0.00 C ATOM 827 OE1 GLU A 50 12.972 -16.214 6.396 1.00 0.00 O ATOM 828 OE2 GLU A 50 13.032 -17.998 5.114 1.00 0.00 O ATOM 0 H GLU A 50 9.136 -18.894 6.022 1.00 0.00 H new ATOM 0 HA GLU A 50 8.334 -16.955 7.988 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.463 -15.875 7.343 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.673 -17.574 7.714 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.553 -18.042 5.222 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.575 -16.310 4.958 1.00 0.00 H new ATOM 835 N LEU A 51 8.151 -16.229 4.773 1.00 0.00 N ATOM 836 CA LEU A 51 7.576 -15.296 3.811 1.00 0.00 C ATOM 837 C LEU A 51 6.056 -15.254 3.933 1.00 0.00 C ATOM 838 O LEU A 51 5.443 -14.192 3.829 1.00 0.00 O ATOM 839 CB LEU A 51 7.973 -15.689 2.387 1.00 0.00 C ATOM 840 CG LEU A 51 7.492 -14.759 1.274 1.00 0.00 C ATOM 841 CD1 LEU A 51 8.002 -13.344 1.503 1.00 0.00 C ATOM 842 CD2 LEU A 51 7.940 -15.275 -0.085 1.00 0.00 C ATOM 0 H LEU A 51 8.606 -17.040 4.354 1.00 0.00 H new ATOM 0 HA LEU A 51 7.968 -14.303 4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.060 -15.749 2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.589 -16.690 2.188 1.00 0.00 H new ATOM 0 HG LEU A 51 6.402 -14.738 1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.650 -12.696 0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.630 -12.974 2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.092 -13.347 1.514 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.588 -14.600 -0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.028 -15.327 -0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.525 -16.269 -0.252 1.00 0.00 H new ATOM 854 N GLN A 52 5.454 -16.419 4.158 1.00 0.00 N ATOM 855 CA GLN A 52 4.006 -16.515 4.296 1.00 0.00 C ATOM 856 C GLN A 52 3.548 -15.947 5.635 1.00 0.00 C ATOM 857 O GLN A 52 2.476 -15.352 5.732 1.00 0.00 O ATOM 858 CB GLN A 52 3.556 -17.971 4.166 1.00 0.00 C ATOM 859 CG GLN A 52 3.693 -18.768 5.452 1.00 0.00 C ATOM 860 CD GLN A 52 2.483 -18.630 6.356 1.00 0.00 C ATOM 861 OE1 GLN A 52 2.582 -18.114 7.469 1.00 0.00 O ATOM 862 NE2 GLN A 52 1.333 -19.091 5.880 1.00 0.00 N ATOM 0 H GLN A 52 5.947 -17.308 4.248 1.00 0.00 H new ATOM 0 HA GLN A 52 3.551 -15.928 3.498 1.00 0.00 H new ATOM 0 HB2 GLN A 52 2.515 -17.993 3.844 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.142 -18.455 3.384 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.842 -19.820 5.209 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.582 -18.436 5.988 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.297 -19.511 4.951 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.485 -19.025 6.443 1.00 0.00 H new ATOM 871 N GLU A 53 4.367 -16.138 6.665 1.00 0.00 N ATOM 872 CA GLU A 53 4.045 -15.645 7.999 1.00 0.00 C ATOM 873 C GLU A 53 4.149 -14.123 8.057 1.00 0.00 C ATOM 874 O GLU A 53 3.386 -13.464 8.762 1.00 0.00 O ATOM 875 CB GLU A 53 4.977 -16.272 9.038 1.00 0.00 C ATOM 876 CG GLU A 53 4.461 -17.581 9.609 1.00 0.00 C ATOM 877 CD GLU A 53 5.291 -18.077 10.776 1.00 0.00 C ATOM 878 OE1 GLU A 53 6.534 -17.975 10.704 1.00 0.00 O ATOM 879 OE2 GLU A 53 4.700 -18.565 11.761 1.00 0.00 O ATOM 0 H GLU A 53 5.258 -16.630 6.601 1.00 0.00 H new ATOM 0 HA GLU A 53 3.018 -15.930 8.225 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.952 -16.444 8.582 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.127 -15.564 9.853 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.428 -17.450 9.933 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.455 -18.338 8.825 1.00 0.00 H new ATOM 886 N LYS A 54 5.101 -13.573 7.310 1.00 0.00 N ATOM 887 CA LYS A 54 5.307 -12.130 7.274 1.00 0.00 C ATOM 888 C LYS A 54 4.231 -11.447 6.435 1.00 0.00 C ATOM 889 O LYS A 54 3.698 -10.406 6.821 1.00 0.00 O ATOM 890 CB LYS A 54 6.692 -11.806 6.711 1.00 0.00 C ATOM 891 CG LYS A 54 7.834 -12.296 7.583 1.00 0.00 C ATOM 892 CD LYS A 54 8.227 -11.259 8.622 1.00 0.00 C ATOM 893 CE LYS A 54 7.445 -11.440 9.914 1.00 0.00 C ATOM 894 NZ LYS A 54 8.174 -10.882 11.086 1.00 0.00 N ATOM 0 H LYS A 54 5.742 -14.105 6.721 1.00 0.00 H new ATOM 0 HA LYS A 54 5.240 -11.753 8.294 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.785 -12.252 5.721 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.780 -10.727 6.585 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.541 -13.220 8.082 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.696 -12.531 6.958 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.295 -11.335 8.828 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.050 -10.259 8.225 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.475 -10.951 9.823 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.253 -12.501 10.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.608 -11.025 11.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.089 -11.366 11.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.335 -9.865 10.943 1.00 0.00 H new ATOM 908 N ILE A 55 3.918 -12.040 5.288 1.00 0.00 N ATOM 909 CA ILE A 55 2.904 -11.491 4.397 1.00 0.00 C ATOM 910 C ILE A 55 1.525 -11.520 5.048 1.00 0.00 C ATOM 911 O ILE A 55 0.837 -10.501 5.116 1.00 0.00 O ATOM 912 CB ILE A 55 2.848 -12.260 3.064 1.00 0.00 C ATOM 913 CG1 ILE A 55 4.153 -12.075 2.288 1.00 0.00 C ATOM 914 CG2 ILE A 55 1.660 -11.796 2.234 1.00 0.00 C ATOM 915 CD1 ILE A 55 4.375 -13.126 1.222 1.00 0.00 C ATOM 0 H ILE A 55 4.352 -12.901 4.954 1.00 0.00 H new ATOM 0 HA ILE A 55 3.187 -10.457 4.198 1.00 0.00 H new ATOM 0 HB ILE A 55 2.723 -13.321 3.279 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.153 -11.090 1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.989 -12.096 2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.634 -12.349 1.295 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.738 -11.976 2.786 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.756 -10.730 2.025 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.319 -12.933 0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.408 -14.112 1.685 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.559 -13.091 0.501 1.00 0.00 H new ATOM 927 N ILE A 56 1.128 -12.694 5.525 1.00 0.00 N ATOM 928 CA ILE A 56 -0.167 -12.856 6.174 1.00 0.00 C ATOM 929 C ILE A 56 -0.342 -11.857 7.312 1.00 0.00 C ATOM 930 O ILE A 56 -1.433 -11.329 7.526 1.00 0.00 O ATOM 931 CB ILE A 56 -0.346 -14.283 6.726 1.00 0.00 C ATOM 932 CG1 ILE A 56 -1.769 -14.473 7.255 1.00 0.00 C ATOM 933 CG2 ILE A 56 0.673 -14.558 7.821 1.00 0.00 C ATOM 934 CD1 ILE A 56 -2.126 -15.919 7.522 1.00 0.00 C ATOM 0 H ILE A 56 1.684 -13.547 5.474 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.925 -12.672 5.413 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.181 -14.994 5.916 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.885 -13.902 8.177 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.474 -14.060 6.534 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.534 -15.570 8.201 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.680 -14.458 7.415 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.537 -13.843 8.633 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.149 -15.978 7.895 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.043 -16.491 6.598 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.444 -16.331 8.266 1.00 0.00 H new ATOM 946 N ARG A 57 0.742 -11.599 8.037 1.00 0.00 N ATOM 947 CA ARG A 57 0.709 -10.662 9.153 1.00 0.00 C ATOM 948 C ARG A 57 0.490 -9.235 8.659 1.00 0.00 C ATOM 949 O ARG A 57 -0.416 -8.541 9.119 1.00 0.00 O ATOM 950 CB ARG A 57 2.012 -10.742 9.952 1.00 0.00 C ATOM 951 CG ARG A 57 1.853 -11.405 11.311 1.00 0.00 C ATOM 952 CD ARG A 57 1.254 -12.796 11.186 1.00 0.00 C ATOM 953 NE ARG A 57 1.344 -13.546 12.436 1.00 0.00 N ATOM 954 CZ ARG A 57 0.724 -14.702 12.645 1.00 0.00 C ATOM 955 NH1 ARG A 57 -0.023 -15.240 11.692 1.00 0.00 N ATOM 956 NH2 ARG A 57 0.855 -15.324 13.811 1.00 0.00 N ATOM 0 H ARG A 57 1.653 -12.026 7.871 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.124 -10.936 9.800 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.751 -11.295 9.372 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.405 -9.735 10.092 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.824 -11.469 11.802 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.215 -10.789 11.945 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.209 -12.715 10.887 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.770 -13.343 10.397 1.00 0.00 H new ATOM 0 HE ARG A 57 1.914 -13.161 13.189 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.123 -14.766 10.794 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.498 -16.128 11.856 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.432 -14.914 14.546 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.379 -16.212 13.972 1.00 0.00 H new ATOM 970 N GLU A 58 1.327 -8.804 7.720 1.00 0.00 N ATOM 971 CA GLU A 58 1.224 -7.460 7.165 1.00 0.00 C ATOM 972 C GLU A 58 -0.143 -7.238 6.526 1.00 0.00 C ATOM 973 O GLU A 58 -0.761 -6.187 6.705 1.00 0.00 O ATOM 974 CB GLU A 58 2.327 -7.226 6.130 1.00 0.00 C ATOM 975 CG GLU A 58 2.844 -5.798 6.103 1.00 0.00 C ATOM 976 CD GLU A 58 4.210 -5.684 5.454 1.00 0.00 C ATOM 977 OE1 GLU A 58 5.222 -5.847 6.167 1.00 0.00 O ATOM 978 OE2 GLU A 58 4.267 -5.431 4.233 1.00 0.00 O ATOM 0 H GLU A 58 2.083 -9.366 7.328 1.00 0.00 H new ATOM 0 HA GLU A 58 1.344 -6.748 7.981 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.158 -7.900 6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.947 -7.484 5.142 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.136 -5.169 5.563 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.897 -5.415 7.122 1.00 0.00 H new ATOM 985 N LEU A 59 -0.610 -8.232 5.780 1.00 0.00 N ATOM 986 CA LEU A 59 -1.905 -8.146 5.114 1.00 0.00 C ATOM 987 C LEU A 59 -3.040 -8.112 6.131 1.00 0.00 C ATOM 988 O LEU A 59 -4.049 -7.436 5.928 1.00 0.00 O ATOM 989 CB LEU A 59 -2.091 -9.331 4.165 1.00 0.00 C ATOM 990 CG LEU A 59 -2.994 -9.087 2.955 1.00 0.00 C ATOM 991 CD1 LEU A 59 -2.680 -10.078 1.844 1.00 0.00 C ATOM 992 CD2 LEU A 59 -4.459 -9.180 3.355 1.00 0.00 C ATOM 0 H LEU A 59 -0.111 -9.107 5.621 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.930 -7.220 4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.110 -9.639 3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.498 -10.166 4.735 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.802 -8.081 2.581 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.333 -9.888 0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.640 -9.963 1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.842 -11.093 2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.087 -9.004 2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.665 -10.173 3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.677 -8.430 4.116 1.00 0.00 H new ATOM 1004 N ASP A 60 -2.867 -8.842 7.227 1.00 0.00 N ATOM 1005 CA ASP A 60 -3.876 -8.893 8.279 1.00 0.00 C ATOM 1006 C ASP A 60 -4.062 -7.521 8.920 1.00 0.00 C ATOM 1007 O ASP A 60 -5.175 -6.999 8.983 1.00 0.00 O ATOM 1008 CB ASP A 60 -3.482 -9.918 9.344 1.00 0.00 C ATOM 1009 CG ASP A 60 -4.327 -11.175 9.277 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -4.740 -11.554 8.161 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -4.577 -11.780 10.341 1.00 0.00 O ATOM 0 H ASP A 60 -2.038 -9.407 7.410 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.821 -9.195 7.828 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.432 -10.182 9.219 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.582 -9.468 10.332 1.00 0.00 H new ATOM 1016 N VAL A 61 -2.964 -6.942 9.395 1.00 0.00 N ATOM 1017 CA VAL A 61 -3.005 -5.631 10.032 1.00 0.00 C ATOM 1018 C VAL A 61 -3.507 -4.566 9.063 1.00 0.00 C ATOM 1019 O VAL A 61 -4.288 -3.690 9.437 1.00 0.00 O ATOM 1020 CB VAL A 61 -1.618 -5.218 10.557 1.00 0.00 C ATOM 1021 CG1 VAL A 61 -0.584 -5.281 9.443 1.00 0.00 C ATOM 1022 CG2 VAL A 61 -1.671 -3.825 11.167 1.00 0.00 C ATOM 0 H VAL A 61 -2.035 -7.360 9.351 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.695 -5.709 10.873 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.321 -5.920 11.336 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.390 -4.986 9.833 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.527 -6.299 9.057 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.873 -4.604 8.639 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.682 -3.550 11.533 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.990 -3.108 10.410 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.379 -3.817 11.996 1.00 0.00 H new ATOM 1032 N VAL A 62 -3.054 -4.646 7.816 1.00 0.00 N ATOM 1033 CA VAL A 62 -3.459 -3.690 6.793 1.00 0.00 C ATOM 1034 C VAL A 62 -4.943 -3.824 6.470 1.00 0.00 C ATOM 1035 O VAL A 62 -5.701 -2.861 6.581 1.00 0.00 O ATOM 1036 CB VAL A 62 -2.645 -3.876 5.498 1.00 0.00 C ATOM 1037 CG1 VAL A 62 -3.231 -3.037 4.373 1.00 0.00 C ATOM 1038 CG2 VAL A 62 -1.184 -3.522 5.732 1.00 0.00 C ATOM 0 H VAL A 62 -2.406 -5.363 7.490 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.267 -2.696 7.196 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.699 -4.924 5.203 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.643 -3.182 3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.261 -3.343 4.190 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.210 -1.984 4.655 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.624 -3.659 4.807 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.108 -2.483 6.052 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.772 -4.170 6.505 1.00 0.00 H new ATOM 1048 N CYS A 63 -5.350 -5.025 6.074 1.00 0.00 N ATOM 1049 CA CYS A 63 -6.745 -5.287 5.736 1.00 0.00 C ATOM 1050 C CYS A 63 -7.657 -4.985 6.920 1.00 0.00 C ATOM 1051 O CYS A 63 -8.831 -4.663 6.745 1.00 0.00 O ATOM 1052 CB CYS A 63 -6.921 -6.742 5.298 1.00 0.00 C ATOM 1053 SG CYS A 63 -6.999 -7.920 6.667 1.00 0.00 S ATOM 0 H CYS A 63 -4.734 -5.833 5.979 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.023 -4.631 4.911 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -7.834 -6.825 4.709 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.093 -7.016 4.644 1.00 0.00 H new ATOM 0 HG CYS A 63 -6.225 -7.517 7.631 1.00 0.00 H new ATOM 1059 N ALA A 64 -7.108 -5.093 8.126 1.00 0.00 N ATOM 1060 CA ALA A 64 -7.873 -4.831 9.339 1.00 0.00 C ATOM 1061 C ALA A 64 -8.160 -3.342 9.496 1.00 0.00 C ATOM 1062 O ALA A 64 -9.316 -2.929 9.579 1.00 0.00 O ATOM 1063 CB ALA A 64 -7.127 -5.358 10.556 1.00 0.00 C ATOM 0 H ALA A 64 -6.137 -5.360 8.289 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.827 -5.351 9.257 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.709 -5.156 11.455 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.978 -6.433 10.454 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.159 -4.863 10.632 1.00 0.00 H new ATOM 1069 N MET A 65 -7.100 -2.541 9.540 1.00 0.00 N ATOM 1070 CA MET A 65 -7.239 -1.097 9.687 1.00 0.00 C ATOM 1071 C MET A 65 -7.974 -0.496 8.492 1.00 0.00 C ATOM 1072 O MET A 65 -8.742 0.455 8.638 1.00 0.00 O ATOM 1073 CB MET A 65 -5.865 -0.442 9.837 1.00 0.00 C ATOM 1074 CG MET A 65 -5.078 -0.377 8.539 1.00 0.00 C ATOM 1075 SD MET A 65 -3.432 0.326 8.757 1.00 0.00 S ATOM 1076 CE MET A 65 -2.594 -1.025 9.581 1.00 0.00 C ATOM 0 H MET A 65 -6.136 -2.868 9.476 1.00 0.00 H new ATOM 0 HA MET A 65 -7.825 -0.904 10.586 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.994 0.568 10.225 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.286 -0.996 10.576 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.988 -1.380 8.123 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.630 0.220 7.814 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.818 -0.627 10.235 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.312 -1.592 10.173 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.140 -1.680 8.837 1.00 0.00 H new ATOM 1086 N ILE A 66 -7.731 -1.058 7.312 1.00 0.00 N ATOM 1087 CA ILE A 66 -8.370 -0.578 6.094 1.00 0.00 C ATOM 1088 C ILE A 66 -9.864 -0.882 6.098 1.00 0.00 C ATOM 1089 O ILE A 66 -10.686 -0.012 5.815 1.00 0.00 O ATOM 1090 CB ILE A 66 -7.734 -1.205 4.839 1.00 0.00 C ATOM 1091 CG1 ILE A 66 -6.663 -0.277 4.264 1.00 0.00 C ATOM 1092 CG2 ILE A 66 -8.801 -1.503 3.796 1.00 0.00 C ATOM 1093 CD1 ILE A 66 -5.599 0.112 5.266 1.00 0.00 C ATOM 0 H ILE A 66 -7.097 -1.845 7.175 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.222 0.502 6.066 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.259 -2.144 5.122 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.188 -0.767 3.414 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.142 0.626 3.885 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.335 -1.946 2.915 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.530 -2.200 4.210 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.303 -0.577 3.514 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.873 0.770 4.789 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.062 0.630 6.106 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.094 -0.784 5.627 1.00 0.00 H new ATOM 1105 N GLU A 67 -10.208 -2.124 6.425 1.00 0.00 N ATOM 1106 CA GLU A 67 -11.605 -2.544 6.469 1.00 0.00 C ATOM 1107 C GLU A 67 -12.393 -1.707 7.472 1.00 0.00 C ATOM 1108 O GLU A 67 -13.471 -1.201 7.163 1.00 0.00 O ATOM 1109 CB GLU A 67 -11.704 -4.026 6.835 1.00 0.00 C ATOM 1110 CG GLU A 67 -11.526 -4.959 5.649 1.00 0.00 C ATOM 1111 CD GLU A 67 -11.485 -6.418 6.057 1.00 0.00 C ATOM 1112 OE1 GLU A 67 -12.551 -6.967 6.407 1.00 0.00 O ATOM 1113 OE2 GLU A 67 -10.387 -7.013 6.025 1.00 0.00 O ATOM 0 H GLU A 67 -9.539 -2.857 6.663 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.035 -2.393 5.479 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.948 -4.258 7.585 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.675 -4.215 7.292 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.343 -4.805 4.945 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.603 -4.705 5.127 1.00 0.00 H new ATOM 1120 N GLY A 68 -11.846 -1.565 8.676 1.00 0.00 N ATOM 1121 CA GLY A 68 -12.510 -0.790 9.707 1.00 0.00 C ATOM 1122 C GLY A 68 -12.691 0.662 9.313 1.00 0.00 C ATOM 1123 O GLY A 68 -13.798 1.196 9.377 1.00 0.00 O ATOM 0 H GLY A 68 -10.954 -1.974 8.955 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.485 -1.230 9.918 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.930 -0.844 10.628 1.00 0.00 H new ATOM 1127 N ALA A 69 -11.601 1.304 8.907 1.00 0.00 N ATOM 1128 CA ALA A 69 -11.644 2.704 8.502 1.00 0.00 C ATOM 1129 C ALA A 69 -12.566 2.899 7.303 1.00 0.00 C ATOM 1130 O ALA A 69 -13.343 3.852 7.256 1.00 0.00 O ATOM 1131 CB ALA A 69 -10.244 3.203 8.181 1.00 0.00 C ATOM 0 H ALA A 69 -10.677 0.877 8.850 1.00 0.00 H new ATOM 0 HA ALA A 69 -12.043 3.286 9.333 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.291 4.250 7.880 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.612 3.107 9.064 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.824 2.610 7.368 1.00 0.00 H new ATOM 1137 N GLN A 70 -12.470 1.993 6.335 1.00 0.00 N ATOM 1138 CA GLN A 70 -13.295 2.068 5.135 1.00 0.00 C ATOM 1139 C GLN A 70 -14.777 2.069 5.492 1.00 0.00 C ATOM 1140 O GLN A 70 -15.531 2.942 5.063 1.00 0.00 O ATOM 1141 CB GLN A 70 -12.984 0.897 4.202 1.00 0.00 C ATOM 1142 CG GLN A 70 -11.828 1.167 3.251 1.00 0.00 C ATOM 1143 CD GLN A 70 -11.817 0.225 2.063 1.00 0.00 C ATOM 1144 OE1 GLN A 70 -10.803 -0.407 1.768 1.00 0.00 O ATOM 1145 NE2 GLN A 70 -12.948 0.127 1.375 1.00 0.00 N ATOM 0 H GLN A 70 -11.830 1.199 6.358 1.00 0.00 H new ATOM 0 HA GLN A 70 -13.063 3.002 4.624 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -12.752 0.017 4.802 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -13.875 0.660 3.620 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.889 2.195 2.894 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.887 1.073 3.793 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.764 0.670 1.656 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.001 -0.491 0.566 1.00 0.00 H new ATOM 1154 N GLY A 71 -15.192 1.082 6.282 1.00 0.00 N ATOM 1155 CA GLY A 71 -16.583 0.986 6.683 1.00 0.00 C ATOM 1156 C GLY A 71 -17.028 2.171 7.517 1.00 0.00 C ATOM 1157 O GLY A 71 -18.156 2.645 7.383 1.00 0.00 O ATOM 0 H GLY A 71 -14.588 0.347 6.651 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -17.210 0.915 5.794 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -16.732 0.068 7.252 1.00 0.00 H new ATOM 1161 N ALA A 72 -16.141 2.649 8.383 1.00 0.00 N ATOM 1162 CA ALA A 72 -16.448 3.785 9.243 1.00 0.00 C ATOM 1163 C ALA A 72 -16.661 5.053 8.422 1.00 0.00 C ATOM 1164 O ALA A 72 -17.746 5.636 8.432 1.00 0.00 O ATOM 1165 CB ALA A 72 -15.336 3.994 10.261 1.00 0.00 C ATOM 0 H ALA A 72 -15.203 2.267 8.508 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.375 3.566 9.774 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -15.579 4.846 10.896 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -15.233 3.100 10.876 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.398 4.186 9.741 1.00 0.00 H new ATOM 1171 N LEU A 73 -15.621 5.474 7.713 1.00 0.00 N ATOM 1172 CA LEU A 73 -15.694 6.674 6.886 1.00 0.00 C ATOM 1173 C LEU A 73 -16.838 6.575 5.882 1.00 0.00 C ATOM 1174 O LEU A 73 -17.511 7.564 5.594 1.00 0.00 O ATOM 1175 CB LEU A 73 -14.371 6.892 6.150 1.00 0.00 C ATOM 1176 CG LEU A 73 -13.966 5.799 5.160 1.00 0.00 C ATOM 1177 CD1 LEU A 73 -14.485 6.120 3.767 1.00 0.00 C ATOM 1178 CD2 LEU A 73 -12.454 5.628 5.142 1.00 0.00 C ATOM 0 H LEU A 73 -14.717 5.003 7.693 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.883 7.525 7.540 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -14.429 7.838 5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.578 6.995 6.891 1.00 0.00 H new ATOM 0 HG LEU A 73 -14.414 4.859 5.484 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.187 5.331 3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -15.573 6.189 3.791 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -14.068 7.070 3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -12.185 4.846 4.432 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.985 6.566 4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.107 5.349 6.137 1.00 0.00 H new ATOM 1190 N GLU A 74 -17.053 5.373 5.355 1.00 0.00 N ATOM 1191 CA GLU A 74 -18.116 5.146 4.384 1.00 0.00 C ATOM 1192 C GLU A 74 -19.483 5.443 4.995 1.00 0.00 C ATOM 1193 O GLU A 74 -20.273 6.203 4.433 1.00 0.00 O ATOM 1194 CB GLU A 74 -18.074 3.702 3.878 1.00 0.00 C ATOM 1195 CG GLU A 74 -17.122 3.494 2.712 1.00 0.00 C ATOM 1196 CD GLU A 74 -17.079 2.051 2.247 1.00 0.00 C ATOM 1197 OE1 GLU A 74 -17.602 1.177 2.972 1.00 0.00 O ATOM 1198 OE2 GLU A 74 -16.521 1.794 1.160 1.00 0.00 O ATOM 0 H GLU A 74 -16.506 4.543 5.584 1.00 0.00 H new ATOM 0 HA GLU A 74 -17.958 5.823 3.544 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.780 3.047 4.698 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -19.077 3.403 3.575 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -17.426 4.131 1.881 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -16.120 3.808 3.005 1.00 0.00 H new ATOM 1205 N ARG A 75 -19.755 4.838 6.146 1.00 0.00 N ATOM 1206 CA ARG A 75 -21.025 5.036 6.832 1.00 0.00 C ATOM 1207 C ARG A 75 -21.168 6.479 7.307 1.00 0.00 C ATOM 1208 O ARG A 75 -22.279 6.988 7.452 1.00 0.00 O ATOM 1209 CB ARG A 75 -21.141 4.082 8.022 1.00 0.00 C ATOM 1210 CG ARG A 75 -22.556 3.946 8.559 1.00 0.00 C ATOM 1211 CD ARG A 75 -23.373 2.965 7.731 1.00 0.00 C ATOM 1212 NE ARG A 75 -24.768 2.916 8.161 1.00 0.00 N ATOM 1213 CZ ARG A 75 -25.665 2.079 7.650 1.00 0.00 C ATOM 1214 NH1 ARG A 75 -25.314 1.227 6.698 1.00 0.00 N ATOM 1215 NH2 ARG A 75 -26.916 2.094 8.094 1.00 0.00 N ATOM 0 H ARG A 75 -19.112 4.206 6.623 1.00 0.00 H new ATOM 0 HA ARG A 75 -21.827 4.823 6.125 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -20.778 3.098 7.724 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -20.490 4.433 8.823 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -22.523 3.610 9.595 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -23.043 4.921 8.556 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -23.327 3.251 6.680 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -22.934 1.970 7.810 1.00 0.00 H new ATOM 0 HE ARG A 75 -25.070 3.559 8.893 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -24.353 1.212 6.356 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -26.004 0.586 6.308 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -27.189 2.748 8.828 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -27.604 1.451 7.702 1.00 0.00 H new ATOM 1229 N GLU A 76 -20.035 7.133 7.548 1.00 0.00 N ATOM 1230 CA GLU A 76 -20.035 8.516 8.007 1.00 0.00 C ATOM 1231 C GLU A 76 -20.354 9.470 6.860 1.00 0.00 C ATOM 1232 O GLU A 76 -21.222 10.337 6.981 1.00 0.00 O ATOM 1233 CB GLU A 76 -18.679 8.873 8.620 1.00 0.00 C ATOM 1234 CG GLU A 76 -18.496 8.355 10.036 1.00 0.00 C ATOM 1235 CD GLU A 76 -18.951 9.351 11.085 1.00 0.00 C ATOM 1236 OE1 GLU A 76 -18.378 10.458 11.141 1.00 0.00 O ATOM 1237 OE2 GLU A 76 -19.883 9.022 11.849 1.00 0.00 O ATOM 0 H GLU A 76 -19.107 6.727 7.433 1.00 0.00 H new ATOM 0 HA GLU A 76 -20.808 8.619 8.768 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -17.887 8.469 7.989 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -18.564 9.957 8.621 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -19.056 7.427 10.155 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -17.445 8.116 10.199 1.00 0.00 H new ATOM 1244 N LEU A 77 -19.647 9.306 5.748 1.00 0.00 N ATOM 1245 CA LEU A 77 -19.854 10.154 4.578 1.00 0.00 C ATOM 1246 C LEU A 77 -21.170 9.814 3.886 1.00 0.00 C ATOM 1247 O LEU A 77 -21.756 10.650 3.198 1.00 0.00 O ATOM 1248 CB LEU A 77 -18.692 9.993 3.596 1.00 0.00 C ATOM 1249 CG LEU A 77 -18.467 8.583 3.046 1.00 0.00 C ATOM 1250 CD1 LEU A 77 -19.219 8.394 1.739 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -16.981 8.317 2.853 1.00 0.00 C ATOM 0 H LEU A 77 -18.926 8.594 5.631 1.00 0.00 H new ATOM 0 HA LEU A 77 -19.898 11.190 4.913 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -18.857 10.667 2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -17.777 10.319 4.091 1.00 0.00 H new ATOM 0 HG LEU A 77 -18.853 7.865 3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -19.047 7.385 1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -20.286 8.541 1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -18.864 9.120 1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -16.840 7.310 2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.570 9.041 2.149 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.468 8.410 3.810 1.00 0.00 H new ATOM 1263 N LYS A 78 -21.631 8.582 4.074 1.00 0.00 N ATOM 1264 CA LYS A 78 -22.880 8.132 3.471 1.00 0.00 C ATOM 1265 C LYS A 78 -24.064 8.929 4.011 1.00 0.00 C ATOM 1266 O LYS A 78 -25.149 8.915 3.432 1.00 0.00 O ATOM 1267 CB LYS A 78 -23.091 6.640 3.741 1.00 0.00 C ATOM 1268 CG LYS A 78 -22.612 5.745 2.612 1.00 0.00 C ATOM 1269 CD LYS A 78 -23.624 5.682 1.481 1.00 0.00 C ATOM 1270 CE LYS A 78 -23.021 5.071 0.226 1.00 0.00 C ATOM 1271 NZ LYS A 78 -24.032 4.314 -0.563 1.00 0.00 N ATOM 0 H LYS A 78 -21.158 7.877 4.639 1.00 0.00 H new ATOM 0 HA LYS A 78 -22.815 8.296 2.395 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -22.567 6.367 4.657 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -24.152 6.457 3.914 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -21.661 6.117 2.230 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -22.430 4.741 2.995 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -24.486 5.093 1.795 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -23.987 6.686 1.260 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -22.594 5.860 -0.393 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -22.204 4.405 0.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -23.582 3.913 -1.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -24.422 3.545 0.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -24.800 4.955 -0.849 1.00 0.00 H new ATOM 1285 N ARG A 79 -23.844 9.626 5.121 1.00 0.00 N ATOM 1286 CA ARG A 79 -24.892 10.430 5.738 1.00 0.00 C ATOM 1287 C ARG A 79 -25.233 11.638 4.870 1.00 0.00 C ATOM 1288 O ARG A 79 -26.248 12.303 5.082 1.00 0.00 O ATOM 1289 CB ARG A 79 -24.457 10.893 7.130 1.00 0.00 C ATOM 1290 CG ARG A 79 -25.619 11.189 8.064 1.00 0.00 C ATOM 1291 CD ARG A 79 -26.439 9.941 8.346 1.00 0.00 C ATOM 1292 NE ARG A 79 -27.381 10.141 9.444 1.00 0.00 N ATOM 1293 CZ ARG A 79 -28.282 9.238 9.813 1.00 0.00 C ATOM 1294 NH1 ARG A 79 -28.362 8.077 9.177 1.00 0.00 N ATOM 1295 NH2 ARG A 79 -29.105 9.493 10.822 1.00 0.00 N ATOM 0 H ARG A 79 -22.950 9.650 5.611 1.00 0.00 H new ATOM 0 HA ARG A 79 -25.783 9.810 5.832 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -23.828 10.125 7.579 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -23.844 11.789 7.031 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -25.239 11.596 9.001 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -26.258 11.953 7.621 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -26.986 9.656 7.447 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -25.770 9.115 8.588 1.00 0.00 H new ATOM 0 HE ARG A 79 -27.345 11.023 9.956 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -27.730 7.876 8.402 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -29.055 7.386 9.463 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -29.046 10.384 11.315 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -29.797 8.798 11.104 1.00 0.00 H new ATOM 1309 N THR A 80 -24.377 11.917 3.893 1.00 0.00 N ATOM 1310 CA THR A 80 -24.585 13.045 2.993 1.00 0.00 C ATOM 1311 C THR A 80 -25.987 13.020 2.395 1.00 0.00 C ATOM 1312 O THR A 80 -26.712 12.035 2.531 1.00 0.00 O ATOM 1313 CB THR A 80 -23.552 13.052 1.852 1.00 0.00 C ATOM 1314 OG1 THR A 80 -23.305 11.714 1.407 1.00 0.00 O ATOM 1315 CG2 THR A 80 -22.248 13.690 2.305 1.00 0.00 C ATOM 0 H THR A 80 -23.532 11.377 3.704 1.00 0.00 H new ATOM 0 HA THR A 80 -24.463 13.950 3.588 1.00 0.00 H new ATOM 0 HB THR A 80 -23.958 13.640 1.028 1.00 0.00 H new ATOM 0 HG1 THR A 80 -22.634 11.296 1.985 1.00 0.00 H new ATOM 0 HG21 THR A 80 -21.534 13.683 1.481 1.00 0.00 H new ATOM 0 HG22 THR A 80 -22.434 14.718 2.615 1.00 0.00 H new ATOM 0 HG23 THR A 80 -21.839 13.127 3.144 1.00 0.00 H new ATOM 1323 N ASP A 81 -26.362 14.109 1.732 1.00 0.00 N ATOM 1324 CA ASP A 81 -27.677 14.209 1.111 1.00 0.00 C ATOM 1325 C ASP A 81 -27.589 13.962 -0.392 1.00 0.00 C ATOM 1326 O ASP A 81 -27.970 12.898 -0.881 1.00 0.00 O ATOM 1327 CB ASP A 81 -28.288 15.587 1.379 1.00 0.00 C ATOM 1328 CG ASP A 81 -28.885 15.694 2.768 1.00 0.00 C ATOM 1329 OD1 ASP A 81 -29.351 14.664 3.295 1.00 0.00 O ATOM 1330 OD2 ASP A 81 -28.886 16.811 3.329 1.00 0.00 O ATOM 0 H ASP A 81 -25.774 14.934 1.611 1.00 0.00 H new ATOM 0 HA ASP A 81 -28.318 13.444 1.550 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -27.521 16.352 1.256 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -29.061 15.789 0.638 1.00 0.00 H new ATOM 1335 N LEU A 82 -27.087 14.953 -1.120 1.00 0.00 N ATOM 1336 CA LEU A 82 -26.949 14.845 -2.568 1.00 0.00 C ATOM 1337 C LEU A 82 -26.203 16.048 -3.137 1.00 0.00 C ATOM 1338 O LEU A 82 -26.317 17.160 -2.623 1.00 0.00 O ATOM 1339 CB LEU A 82 -28.327 14.728 -3.224 1.00 0.00 C ATOM 1340 CG LEU A 82 -28.342 14.704 -4.752 1.00 0.00 C ATOM 1341 CD1 LEU A 82 -27.494 13.556 -5.278 1.00 0.00 C ATOM 1342 CD2 LEU A 82 -29.769 14.596 -5.270 1.00 0.00 C ATOM 0 H LEU A 82 -26.769 15.841 -0.731 1.00 0.00 H new ATOM 0 HA LEU A 82 -26.371 13.947 -2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -28.804 13.817 -2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -28.940 15.564 -2.888 1.00 0.00 H new ATOM 0 HG LEU A 82 -27.915 15.639 -5.114 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -27.517 13.556 -6.368 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -26.466 13.677 -4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -27.890 12.611 -4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -29.760 14.580 -6.360 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -30.223 13.678 -4.897 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -30.347 15.453 -4.924 1.00 0.00 H new ATOM 1354 N ASN A 83 -25.442 15.818 -4.201 1.00 0.00 N ATOM 1355 CA ASN A 83 -24.679 16.883 -4.840 1.00 0.00 C ATOM 1356 C ASN A 83 -23.898 16.350 -6.038 1.00 0.00 C ATOM 1357 O ASN A 83 -23.443 15.205 -6.036 1.00 0.00 O ATOM 1358 CB ASN A 83 -23.718 17.523 -3.836 1.00 0.00 C ATOM 1359 CG ASN A 83 -23.901 19.026 -3.738 1.00 0.00 C ATOM 1360 OD1 ASN A 83 -24.429 19.535 -2.750 1.00 0.00 O ATOM 1361 ND2 ASN A 83 -23.465 19.743 -4.768 1.00 0.00 N ATOM 0 H ASN A 83 -25.337 14.903 -4.639 1.00 0.00 H new ATOM 0 HA ASN A 83 -25.382 17.638 -5.193 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -23.872 17.076 -2.854 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -22.691 17.303 -4.129 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -23.562 20.758 -4.760 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -23.033 19.278 -5.567 1.00 0.00 H new ATOM 1368 N ILE A 84 -23.747 17.187 -7.059 1.00 0.00 N ATOM 1369 CA ILE A 84 -23.021 16.800 -8.263 1.00 0.00 C ATOM 1370 C ILE A 84 -21.570 16.457 -7.942 1.00 0.00 C ATOM 1371 O ILE A 84 -21.104 15.354 -8.226 1.00 0.00 O ATOM 1372 CB ILE A 84 -23.051 17.919 -9.321 1.00 0.00 C ATOM 1373 CG1 ILE A 84 -24.496 18.319 -9.631 1.00 0.00 C ATOM 1374 CG2 ILE A 84 -22.338 17.468 -10.587 1.00 0.00 C ATOM 1375 CD1 ILE A 84 -24.608 19.572 -10.470 1.00 0.00 C ATOM 0 H ILE A 84 -24.117 18.137 -7.077 1.00 0.00 H new ATOM 0 HA ILE A 84 -23.520 15.918 -8.665 1.00 0.00 H new ATOM 0 HB ILE A 84 -22.530 18.790 -8.923 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -24.988 17.498 -10.151 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -25.032 18.470 -8.694 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -22.367 18.269 -11.326 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -21.301 17.227 -10.354 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -22.835 16.585 -10.989 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -25.659 19.796 -10.651 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -24.145 20.406 -9.942 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -24.101 19.419 -11.422 1.00 0.00 H new ATOM 1387 N LEU A 85 -20.860 17.410 -7.348 1.00 0.00 N ATOM 1388 CA LEU A 85 -19.462 17.209 -6.986 1.00 0.00 C ATOM 1389 C LEU A 85 -19.312 16.043 -6.014 1.00 0.00 C ATOM 1390 O LEU A 85 -18.503 15.141 -6.232 1.00 0.00 O ATOM 1391 CB LEU A 85 -18.887 18.483 -6.364 1.00 0.00 C ATOM 1392 CG LEU A 85 -17.460 18.382 -5.825 1.00 0.00 C ATOM 1393 CD1 LEU A 85 -16.508 17.917 -6.916 1.00 0.00 C ATOM 1394 CD2 LEU A 85 -17.008 19.719 -5.255 1.00 0.00 C ATOM 0 H LEU A 85 -21.230 18.330 -7.107 1.00 0.00 H new ATOM 0 HA LEU A 85 -18.908 16.973 -7.895 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -18.916 19.274 -7.113 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -19.541 18.792 -5.549 1.00 0.00 H new ATOM 0 HG LEU A 85 -17.448 17.645 -5.022 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.497 17.851 -6.513 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -16.819 16.937 -7.277 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -16.524 18.629 -7.741 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.990 19.628 -4.876 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -17.037 20.477 -6.038 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -17.673 20.011 -4.442 1.00 0.00 H new ATOM 1406 N GLU A 86 -20.100 16.067 -4.943 1.00 0.00 N ATOM 1407 CA GLU A 86 -20.056 15.011 -3.939 1.00 0.00 C ATOM 1408 C GLU A 86 -20.316 13.647 -4.572 1.00 0.00 C ATOM 1409 O GLU A 86 -19.643 12.666 -4.258 1.00 0.00 O ATOM 1410 CB GLU A 86 -21.083 15.280 -2.838 1.00 0.00 C ATOM 1411 CG GLU A 86 -20.795 16.533 -2.029 1.00 0.00 C ATOM 1412 CD GLU A 86 -21.943 16.913 -1.114 1.00 0.00 C ATOM 1413 OE1 GLU A 86 -22.871 16.093 -0.953 1.00 0.00 O ATOM 1414 OE2 GLU A 86 -21.913 18.031 -0.559 1.00 0.00 O ATOM 0 H GLU A 86 -20.776 16.806 -4.749 1.00 0.00 H new ATOM 0 HA GLU A 86 -19.058 15.004 -3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -22.071 15.368 -3.289 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -21.115 14.423 -2.165 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -19.896 16.377 -1.433 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -20.588 17.360 -2.708 1.00 0.00 H new ATOM 1421 N ARG A 87 -21.299 13.594 -5.466 1.00 0.00 N ATOM 1422 CA ARG A 87 -21.652 12.352 -6.142 1.00 0.00 C ATOM 1423 C ARG A 87 -20.471 11.819 -6.950 1.00 0.00 C ATOM 1424 O ARG A 87 -20.169 10.627 -6.914 1.00 0.00 O ATOM 1425 CB ARG A 87 -22.855 12.570 -7.060 1.00 0.00 C ATOM 1426 CG ARG A 87 -23.176 11.371 -7.939 1.00 0.00 C ATOM 1427 CD ARG A 87 -24.592 11.444 -8.485 1.00 0.00 C ATOM 1428 NE ARG A 87 -24.692 12.343 -9.632 1.00 0.00 N ATOM 1429 CZ ARG A 87 -25.760 12.416 -10.419 1.00 0.00 C ATOM 1430 NH1 ARG A 87 -26.816 11.649 -10.182 1.00 0.00 N ATOM 1431 NH2 ARG A 87 -25.775 13.258 -11.443 1.00 0.00 N ATOM 0 H ARG A 87 -21.865 14.398 -5.739 1.00 0.00 H new ATOM 0 HA ARG A 87 -21.913 11.615 -5.382 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -23.727 12.808 -6.451 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -22.665 13.435 -7.695 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -22.468 11.325 -8.766 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -23.054 10.453 -7.363 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -24.919 10.446 -8.777 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -25.266 11.783 -7.699 1.00 0.00 H new ATOM 0 HE ARG A 87 -23.898 12.948 -9.840 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -26.809 11.001 -9.394 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -27.635 11.707 -10.788 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -24.966 13.851 -11.628 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -26.596 13.313 -12.046 1.00 0.00 H new ATOM 1445 N PHE A 88 -19.809 12.712 -7.678 1.00 0.00 N ATOM 1446 CA PHE A 88 -18.662 12.332 -8.495 1.00 0.00 C ATOM 1447 C PHE A 88 -17.547 11.750 -7.632 1.00 0.00 C ATOM 1448 O PHE A 88 -17.090 10.630 -7.861 1.00 0.00 O ATOM 1449 CB PHE A 88 -18.141 13.541 -9.274 1.00 0.00 C ATOM 1450 CG PHE A 88 -16.847 13.281 -9.990 1.00 0.00 C ATOM 1451 CD1 PHE A 88 -16.725 12.212 -10.862 1.00 0.00 C ATOM 1452 CD2 PHE A 88 -15.751 14.105 -9.790 1.00 0.00 C ATOM 1453 CE1 PHE A 88 -15.535 11.970 -11.522 1.00 0.00 C ATOM 1454 CE2 PHE A 88 -14.559 13.869 -10.447 1.00 0.00 C ATOM 1455 CZ PHE A 88 -14.450 12.799 -11.314 1.00 0.00 C ATOM 0 H PHE A 88 -20.047 13.703 -7.719 1.00 0.00 H new ATOM 0 HA PHE A 88 -18.988 11.567 -9.200 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -18.894 13.847 -10.001 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -18.005 14.375 -8.586 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -17.570 11.560 -11.028 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -15.830 14.942 -9.112 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -15.454 11.133 -12.200 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -13.713 14.520 -10.283 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.519 12.611 -11.828 1.00 0.00 H new ATOM 1465 N ASN A 89 -17.113 12.519 -6.639 1.00 0.00 N ATOM 1466 CA ASN A 89 -16.050 12.081 -5.742 1.00 0.00 C ATOM 1467 C ASN A 89 -16.447 10.800 -5.013 1.00 0.00 C ATOM 1468 O ASN A 89 -15.632 9.891 -4.846 1.00 0.00 O ATOM 1469 CB ASN A 89 -15.726 13.179 -4.726 1.00 0.00 C ATOM 1470 CG ASN A 89 -15.555 14.538 -5.378 1.00 0.00 C ATOM 1471 OD1 ASN A 89 -15.259 14.633 -6.570 1.00 0.00 O ATOM 1472 ND2 ASN A 89 -15.740 15.596 -4.599 1.00 0.00 N ATOM 0 H ASN A 89 -17.481 13.448 -6.435 1.00 0.00 H new ATOM 0 HA ASN A 89 -15.163 11.877 -6.342 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -16.524 13.232 -3.986 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -14.813 12.918 -4.192 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -15.638 16.536 -4.982 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -15.984 15.470 -3.617 1.00 0.00 H new ATOM 1479 N TYR A 90 -17.701 10.735 -4.582 1.00 0.00 N ATOM 1480 CA TYR A 90 -18.206 9.567 -3.871 1.00 0.00 C ATOM 1481 C TYR A 90 -18.217 8.340 -4.777 1.00 0.00 C ATOM 1482 O TYR A 90 -17.835 7.246 -4.361 1.00 0.00 O ATOM 1483 CB TYR A 90 -19.616 9.837 -3.341 1.00 0.00 C ATOM 1484 CG TYR A 90 -19.635 10.545 -2.006 1.00 0.00 C ATOM 1485 CD1 TYR A 90 -18.741 11.572 -1.729 1.00 0.00 C ATOM 1486 CD2 TYR A 90 -20.548 10.190 -1.022 1.00 0.00 C ATOM 1487 CE1 TYR A 90 -18.754 12.223 -0.510 1.00 0.00 C ATOM 1488 CE2 TYR A 90 -20.571 10.836 0.200 1.00 0.00 C ATOM 1489 CZ TYR A 90 -19.671 11.851 0.451 1.00 0.00 C ATOM 1490 OH TYR A 90 -19.690 12.496 1.666 1.00 0.00 O ATOM 0 H TYR A 90 -18.387 11.478 -4.713 1.00 0.00 H new ATOM 0 HA TYR A 90 -17.541 9.369 -3.031 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -20.160 10.438 -4.069 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -20.148 8.890 -3.248 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -18.023 11.867 -2.480 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -21.253 9.395 -1.215 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -18.051 13.018 -0.311 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -21.289 10.548 0.953 1.00 0.00 H new ATOM 0 HH TYR A 90 -19.387 13.421 1.550 1.00 0.00 H new ATOM 1500 N GLU A 91 -18.656 8.532 -6.016 1.00 0.00 N ATOM 1501 CA GLU A 91 -18.717 7.440 -6.982 1.00 0.00 C ATOM 1502 C GLU A 91 -17.334 6.836 -7.207 1.00 0.00 C ATOM 1503 O GLU A 91 -17.141 5.630 -7.063 1.00 0.00 O ATOM 1504 CB GLU A 91 -19.292 7.935 -8.310 1.00 0.00 C ATOM 1505 CG GLU A 91 -20.810 7.901 -8.366 1.00 0.00 C ATOM 1506 CD GLU A 91 -21.339 7.782 -9.782 1.00 0.00 C ATOM 1507 OE1 GLU A 91 -20.521 7.804 -10.725 1.00 0.00 O ATOM 1508 OE2 GLU A 91 -22.572 7.667 -9.947 1.00 0.00 O ATOM 0 H GLU A 91 -18.975 9.432 -6.375 1.00 0.00 H new ATOM 0 HA GLU A 91 -19.371 6.667 -6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -18.953 8.956 -8.485 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -18.893 7.324 -9.119 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -21.173 7.060 -7.775 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -21.207 8.807 -7.909 1.00 0.00 H new ATOM 1515 N GLU A 92 -16.375 7.685 -7.565 1.00 0.00 N ATOM 1516 CA GLU A 92 -15.010 7.235 -7.812 1.00 0.00 C ATOM 1517 C GLU A 92 -14.412 6.596 -6.562 1.00 0.00 C ATOM 1518 O GLU A 92 -13.832 5.513 -6.622 1.00 0.00 O ATOM 1519 CB GLU A 92 -14.137 8.407 -8.267 1.00 0.00 C ATOM 1520 CG GLU A 92 -12.760 7.988 -8.753 1.00 0.00 C ATOM 1521 CD GLU A 92 -11.831 9.168 -8.961 1.00 0.00 C ATOM 1522 OE1 GLU A 92 -11.175 9.585 -7.984 1.00 0.00 O ATOM 1523 OE2 GLU A 92 -11.759 9.672 -10.101 1.00 0.00 O ATOM 0 H GLU A 92 -16.518 8.687 -7.690 1.00 0.00 H new ATOM 0 HA GLU A 92 -15.040 6.485 -8.603 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -14.649 8.941 -9.068 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -14.023 9.107 -7.439 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.316 7.304 -8.030 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.861 7.440 -9.690 1.00 0.00 H new ATOM 1530 N ALA A 93 -14.559 7.276 -5.430 1.00 0.00 N ATOM 1531 CA ALA A 93 -14.035 6.777 -4.165 1.00 0.00 C ATOM 1532 C ALA A 93 -14.488 5.343 -3.912 1.00 0.00 C ATOM 1533 O ALA A 93 -13.677 4.472 -3.597 1.00 0.00 O ATOM 1534 CB ALA A 93 -14.469 7.680 -3.020 1.00 0.00 C ATOM 0 H ALA A 93 -15.037 8.175 -5.363 1.00 0.00 H new ATOM 0 HA ALA A 93 -12.947 6.782 -4.223 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -14.070 7.295 -2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.091 8.688 -3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.558 7.705 -2.969 1.00 0.00 H new ATOM 1540 N GLN A 94 -15.789 5.106 -4.050 1.00 0.00 N ATOM 1541 CA GLN A 94 -16.349 3.776 -3.834 1.00 0.00 C ATOM 1542 C GLN A 94 -15.829 2.791 -4.876 1.00 0.00 C ATOM 1543 O GLN A 94 -15.584 1.623 -4.573 1.00 0.00 O ATOM 1544 CB GLN A 94 -17.877 3.831 -3.883 1.00 0.00 C ATOM 1545 CG GLN A 94 -18.552 2.769 -3.029 1.00 0.00 C ATOM 1546 CD GLN A 94 -20.065 2.853 -3.080 1.00 0.00 C ATOM 1547 OE1 GLN A 94 -20.654 2.980 -4.153 1.00 0.00 O ATOM 1548 NE2 GLN A 94 -20.701 2.780 -1.917 1.00 0.00 N ATOM 0 H GLN A 94 -16.474 5.816 -4.310 1.00 0.00 H new ATOM 0 HA GLN A 94 -16.036 3.432 -2.848 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -18.208 4.816 -3.552 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -18.203 3.716 -4.917 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -18.235 1.782 -3.366 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -18.221 2.875 -1.996 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -20.171 2.675 -1.052 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -21.719 2.829 -1.889 1.00 0.00 H new ATOM 1557 N THR A 95 -15.665 3.270 -6.105 1.00 0.00 N ATOM 1558 CA THR A 95 -15.177 2.430 -7.193 1.00 0.00 C ATOM 1559 C THR A 95 -13.817 1.828 -6.854 1.00 0.00 C ATOM 1560 O THR A 95 -13.625 0.614 -6.944 1.00 0.00 O ATOM 1561 CB THR A 95 -15.059 3.225 -8.506 1.00 0.00 C ATOM 1562 OG1 THR A 95 -16.334 3.767 -8.867 1.00 0.00 O ATOM 1563 CG2 THR A 95 -14.542 2.340 -9.630 1.00 0.00 C ATOM 0 H THR A 95 -15.863 4.234 -6.372 1.00 0.00 H new ATOM 0 HA THR A 95 -15.904 1.629 -7.325 1.00 0.00 H new ATOM 0 HB THR A 95 -14.350 4.038 -8.350 1.00 0.00 H new ATOM 0 HG1 THR A 95 -16.540 4.531 -8.289 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.467 2.924 -10.547 1.00 0.00 H new ATOM 0 HG22 THR A 95 -13.558 1.953 -9.365 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.230 1.509 -9.784 1.00 0.00 H new ATOM 1571 N LEU A 96 -12.878 2.681 -6.462 1.00 0.00 N ATOM 1572 CA LEU A 96 -11.536 2.233 -6.109 1.00 0.00 C ATOM 1573 C LEU A 96 -11.563 1.371 -4.850 1.00 0.00 C ATOM 1574 O LEU A 96 -10.873 0.356 -4.766 1.00 0.00 O ATOM 1575 CB LEU A 96 -10.613 3.435 -5.899 1.00 0.00 C ATOM 1576 CG LEU A 96 -10.329 4.286 -7.137 1.00 0.00 C ATOM 1577 CD1 LEU A 96 -9.533 5.526 -6.759 1.00 0.00 C ATOM 1578 CD2 LEU A 96 -9.586 3.472 -8.186 1.00 0.00 C ATOM 0 H LEU A 96 -13.021 3.688 -6.380 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.153 1.630 -6.932 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.052 4.076 -5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.663 3.074 -5.505 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.281 4.605 -7.562 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.340 6.120 -7.652 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.102 6.120 -6.044 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.586 5.227 -6.310 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.393 4.094 -9.060 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.640 3.123 -7.773 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.193 2.615 -8.478 1.00 0.00 H new ATOM 1590 N SER A 97 -12.367 1.785 -3.875 1.00 0.00 N ATOM 1591 CA SER A 97 -12.483 1.052 -2.619 1.00 0.00 C ATOM 1592 C SER A 97 -12.975 -0.371 -2.864 1.00 0.00 C ATOM 1593 O SER A 97 -12.418 -1.332 -2.332 1.00 0.00 O ATOM 1594 CB SER A 97 -13.438 1.777 -1.669 1.00 0.00 C ATOM 1595 OG SER A 97 -13.024 3.114 -1.450 1.00 0.00 O ATOM 0 H SER A 97 -12.947 2.622 -3.930 1.00 0.00 H new ATOM 0 HA SER A 97 -11.494 1.002 -2.162 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.445 1.769 -2.085 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.482 1.246 -0.718 1.00 0.00 H new ATOM 0 HG SER A 97 -13.438 3.698 -2.119 1.00 0.00 H new ATOM 1601 N LYS A 98 -14.021 -0.499 -3.673 1.00 0.00 N ATOM 1602 CA LYS A 98 -14.588 -1.803 -3.991 1.00 0.00 C ATOM 1603 C LYS A 98 -13.571 -2.675 -4.722 1.00 0.00 C ATOM 1604 O LYS A 98 -13.342 -3.825 -4.345 1.00 0.00 O ATOM 1605 CB LYS A 98 -15.844 -1.641 -4.849 1.00 0.00 C ATOM 1606 CG LYS A 98 -17.058 -2.367 -4.293 1.00 0.00 C ATOM 1607 CD LYS A 98 -18.312 -1.515 -4.393 1.00 0.00 C ATOM 1608 CE LYS A 98 -18.729 -1.304 -5.840 1.00 0.00 C ATOM 1609 NZ LYS A 98 -20.173 -1.600 -6.050 1.00 0.00 N ATOM 0 H LYS A 98 -14.494 0.286 -4.121 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.855 -2.293 -3.054 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -16.076 -0.580 -4.942 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.638 -2.011 -5.853 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -17.206 -3.299 -4.838 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.879 -2.632 -3.251 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -19.124 -1.995 -3.846 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -18.136 -0.549 -3.920 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -18.524 -0.274 -6.131 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -18.129 -1.943 -6.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -20.418 -1.444 -7.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -20.365 -2.590 -5.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -20.747 -0.972 -5.451 1.00 0.00 H new ATOM 1623 N ILE A 99 -12.965 -2.121 -5.766 1.00 0.00 N ATOM 1624 CA ILE A 99 -11.971 -2.847 -6.547 1.00 0.00 C ATOM 1625 C ILE A 99 -10.819 -3.319 -5.667 1.00 0.00 C ATOM 1626 O ILE A 99 -10.513 -4.510 -5.611 1.00 0.00 O ATOM 1627 CB ILE A 99 -11.409 -1.980 -7.690 1.00 0.00 C ATOM 1628 CG1 ILE A 99 -12.536 -1.538 -8.625 1.00 0.00 C ATOM 1629 CG2 ILE A 99 -10.344 -2.747 -8.460 1.00 0.00 C ATOM 1630 CD1 ILE A 99 -12.241 -0.249 -9.359 1.00 0.00 C ATOM 0 H ILE A 99 -13.145 -1.171 -6.091 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.476 -3.713 -6.975 1.00 0.00 H new ATOM 0 HB ILE A 99 -10.949 -1.090 -7.260 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -12.723 -2.327 -9.354 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -13.451 -1.416 -8.045 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.956 -2.122 -9.264 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -9.531 -3.017 -7.786 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.781 -3.652 -8.882 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -13.083 0.004 -10.003 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -12.083 0.553 -8.637 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.344 -0.373 -9.966 1.00 0.00 H new ATOM 1642 N LEU A 100 -10.183 -2.376 -4.979 1.00 0.00 N ATOM 1643 CA LEU A 100 -9.064 -2.695 -4.099 1.00 0.00 C ATOM 1644 C LEU A 100 -9.491 -3.671 -3.008 1.00 0.00 C ATOM 1645 O LEU A 100 -8.691 -4.482 -2.538 1.00 0.00 O ATOM 1646 CB LEU A 100 -8.506 -1.418 -3.468 1.00 0.00 C ATOM 1647 CG LEU A 100 -9.021 -1.080 -2.069 1.00 0.00 C ATOM 1648 CD1 LEU A 100 -8.191 -1.787 -1.009 1.00 0.00 C ATOM 1649 CD2 LEU A 100 -9.006 0.424 -1.844 1.00 0.00 C ATOM 0 H LEU A 100 -10.423 -1.385 -5.014 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.285 -3.167 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.420 -1.503 -3.423 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -8.733 -0.581 -4.129 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.050 -1.429 -1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.573 -1.534 -0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.253 -2.865 -1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.151 -1.469 -1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.376 0.646 -0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.987 0.797 -1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -9.645 0.909 -2.582 1.00 0.00 H new ATOM 1661 N LEU A 101 -10.755 -3.588 -2.609 1.00 0.00 N ATOM 1662 CA LEU A 101 -11.290 -4.466 -1.573 1.00 0.00 C ATOM 1663 C LEU A 101 -11.328 -5.914 -2.053 1.00 0.00 C ATOM 1664 O LEU A 101 -10.903 -6.826 -1.344 1.00 0.00 O ATOM 1665 CB LEU A 101 -12.693 -4.014 -1.169 1.00 0.00 C ATOM 1666 CG LEU A 101 -12.777 -3.093 0.049 1.00 0.00 C ATOM 1667 CD1 LEU A 101 -14.218 -2.682 0.309 1.00 0.00 C ATOM 1668 CD2 LEU A 101 -12.184 -3.774 1.274 1.00 0.00 C ATOM 0 H LEU A 101 -11.429 -2.922 -2.987 1.00 0.00 H new ATOM 0 HA LEU A 101 -10.632 -4.407 -0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -13.147 -3.503 -2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -13.296 -4.900 -0.971 1.00 0.00 H new ATOM 0 HG LEU A 101 -12.197 -2.194 -0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -14.258 -2.027 1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -14.608 -2.154 -0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -14.822 -3.570 0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -12.252 -3.104 2.131 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -12.736 -4.690 1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -11.138 -4.016 1.085 1.00 0.00 H new ATOM 1680 N LYS A 102 -11.838 -6.117 -3.263 1.00 0.00 N ATOM 1681 CA LYS A 102 -11.930 -7.453 -3.841 1.00 0.00 C ATOM 1682 C LYS A 102 -10.544 -8.064 -4.021 1.00 0.00 C ATOM 1683 O LYS A 102 -10.303 -9.207 -3.634 1.00 0.00 O ATOM 1684 CB LYS A 102 -12.656 -7.401 -5.187 1.00 0.00 C ATOM 1685 CG LYS A 102 -14.149 -7.153 -5.063 1.00 0.00 C ATOM 1686 CD LYS A 102 -14.811 -7.047 -6.427 1.00 0.00 C ATOM 1687 CE LYS A 102 -14.464 -5.736 -7.114 1.00 0.00 C ATOM 1688 NZ LYS A 102 -15.451 -4.666 -6.799 1.00 0.00 N ATOM 0 H LYS A 102 -12.194 -5.373 -3.863 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.498 -8.080 -3.154 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -12.215 -6.614 -5.798 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.495 -8.341 -5.714 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -14.608 -7.964 -4.497 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.321 -6.235 -4.502 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -14.494 -7.882 -7.052 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -15.892 -7.125 -6.315 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.470 -5.415 -6.803 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -14.427 -5.890 -8.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -15.179 -3.788 -7.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -16.396 -4.961 -7.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -15.468 -4.501 -5.772 1.00 0.00 H new ATOM 1702 N ASP A 103 -9.635 -7.293 -4.610 1.00 0.00 N ATOM 1703 CA ASP A 103 -8.272 -7.757 -4.839 1.00 0.00 C ATOM 1704 C ASP A 103 -7.599 -8.139 -3.525 1.00 0.00 C ATOM 1705 O ASP A 103 -6.937 -9.173 -3.430 1.00 0.00 O ATOM 1706 CB ASP A 103 -7.455 -6.677 -5.551 1.00 0.00 C ATOM 1707 CG ASP A 103 -7.493 -6.822 -7.059 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -8.420 -7.486 -7.569 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -6.595 -6.271 -7.730 1.00 0.00 O ATOM 0 H ASP A 103 -9.818 -6.344 -4.937 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.318 -8.643 -5.473 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.837 -5.695 -5.274 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.421 -6.724 -5.210 1.00 0.00 H new ATOM 1714 N LEU A 104 -7.772 -7.296 -2.512 1.00 0.00 N ATOM 1715 CA LEU A 104 -7.180 -7.544 -1.202 1.00 0.00 C ATOM 1716 C LEU A 104 -7.711 -8.842 -0.601 1.00 0.00 C ATOM 1717 O LEU A 104 -6.948 -9.655 -0.079 1.00 0.00 O ATOM 1718 CB LEU A 104 -7.472 -6.375 -0.259 1.00 0.00 C ATOM 1719 CG LEU A 104 -6.467 -6.158 0.872 1.00 0.00 C ATOM 1720 CD1 LEU A 104 -6.465 -4.702 1.312 1.00 0.00 C ATOM 1721 CD2 LEU A 104 -6.780 -7.071 2.048 1.00 0.00 C ATOM 0 H LEU A 104 -8.317 -6.436 -2.573 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.102 -7.639 -1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.525 -5.461 -0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.457 -6.527 0.182 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.473 -6.406 0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.744 -4.566 2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.191 -4.068 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.459 -4.427 1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.054 -6.902 2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.782 -6.855 2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.729 -8.111 1.725 1.00 0.00 H new ATOM 1733 N LYS A 105 -9.024 -9.031 -0.679 1.00 0.00 N ATOM 1734 CA LYS A 105 -9.658 -10.231 -0.147 1.00 0.00 C ATOM 1735 C LYS A 105 -9.067 -11.486 -0.783 1.00 0.00 C ATOM 1736 O LYS A 105 -8.621 -12.394 -0.085 1.00 0.00 O ATOM 1737 CB LYS A 105 -11.167 -10.185 -0.390 1.00 0.00 C ATOM 1738 CG LYS A 105 -11.966 -9.742 0.823 1.00 0.00 C ATOM 1739 CD LYS A 105 -11.809 -8.252 1.080 1.00 0.00 C ATOM 1740 CE LYS A 105 -12.341 -7.864 2.451 1.00 0.00 C ATOM 1741 NZ LYS A 105 -11.616 -6.692 3.017 1.00 0.00 N ATOM 0 H LYS A 105 -9.670 -8.367 -1.106 1.00 0.00 H new ATOM 0 HA LYS A 105 -9.470 -10.266 0.926 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.373 -9.506 -1.218 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.507 -11.174 -0.697 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.020 -9.977 0.672 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.638 -10.300 1.700 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -10.757 -7.978 1.006 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.339 -7.691 0.311 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.403 -7.632 2.376 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.247 -8.711 3.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -12.293 -6.062 3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -10.907 -7.021 3.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -11.141 -6.174 2.250 1.00 0.00 H new ATOM 1755 N GLU A 106 -9.068 -11.527 -2.112 1.00 0.00 N ATOM 1756 CA GLU A 106 -8.531 -12.670 -2.841 1.00 0.00 C ATOM 1757 C GLU A 106 -7.093 -12.956 -2.420 1.00 0.00 C ATOM 1758 O GLU A 106 -6.739 -14.094 -2.110 1.00 0.00 O ATOM 1759 CB GLU A 106 -8.593 -12.416 -4.348 1.00 0.00 C ATOM 1760 CG GLU A 106 -8.078 -13.578 -5.182 1.00 0.00 C ATOM 1761 CD GLU A 106 -9.115 -14.668 -5.368 1.00 0.00 C ATOM 1762 OE1 GLU A 106 -10.322 -14.360 -5.281 1.00 0.00 O ATOM 1763 OE2 GLU A 106 -8.719 -15.829 -5.601 1.00 0.00 O ATOM 0 H GLU A 106 -9.434 -10.782 -2.705 1.00 0.00 H new ATOM 0 HA GLU A 106 -9.141 -13.541 -2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -9.625 -12.206 -4.631 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -8.010 -11.525 -4.582 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -7.766 -13.209 -6.159 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -7.194 -14.000 -4.703 1.00 0.00 H new ATOM 1770 N THR A 107 -6.266 -11.916 -2.413 1.00 0.00 N ATOM 1771 CA THR A 107 -4.866 -12.054 -2.033 1.00 0.00 C ATOM 1772 C THR A 107 -4.729 -12.728 -0.673 1.00 0.00 C ATOM 1773 O THR A 107 -4.015 -13.719 -0.530 1.00 0.00 O ATOM 1774 CB THR A 107 -4.158 -10.687 -1.990 1.00 0.00 C ATOM 1775 OG1 THR A 107 -4.468 -9.937 -3.169 1.00 0.00 O ATOM 1776 CG2 THR A 107 -2.650 -10.862 -1.878 1.00 0.00 C ATOM 0 H THR A 107 -6.542 -10.967 -2.667 1.00 0.00 H new ATOM 0 HA THR A 107 -4.392 -12.676 -2.793 1.00 0.00 H new ATOM 0 HB THR A 107 -4.513 -10.147 -1.112 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.265 -9.390 -3.008 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.171 -9.883 -1.849 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.414 -11.408 -0.965 1.00 0.00 H new ATOM 0 HG23 THR A 107 -2.283 -11.420 -2.740 1.00 0.00 H new ATOM 1784 N GLU A 108 -5.421 -12.183 0.324 1.00 0.00 N ATOM 1785 CA GLU A 108 -5.376 -12.733 1.674 1.00 0.00 C ATOM 1786 C GLU A 108 -5.735 -14.216 1.670 1.00 0.00 C ATOM 1787 O GLU A 108 -5.030 -15.037 2.255 1.00 0.00 O ATOM 1788 CB GLU A 108 -6.331 -11.968 2.593 1.00 0.00 C ATOM 1789 CG GLU A 108 -6.076 -12.207 4.070 1.00 0.00 C ATOM 1790 CD GLU A 108 -6.929 -11.323 4.960 1.00 0.00 C ATOM 1791 OE1 GLU A 108 -7.666 -10.472 4.419 1.00 0.00 O ATOM 1792 OE2 GLU A 108 -6.861 -11.482 6.197 1.00 0.00 O ATOM 0 H GLU A 108 -6.018 -11.362 0.222 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.358 -12.624 2.049 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -6.244 -10.901 2.386 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -7.356 -12.256 2.359 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -6.275 -13.253 4.305 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.023 -12.027 4.287 1.00 0.00 H new ATOM 1799 N GLN A 109 -6.838 -14.549 1.008 1.00 0.00 N ATOM 1800 CA GLN A 109 -7.292 -15.932 0.929 1.00 0.00 C ATOM 1801 C GLN A 109 -6.176 -16.844 0.429 1.00 0.00 C ATOM 1802 O GLN A 109 -5.905 -17.891 1.018 1.00 0.00 O ATOM 1803 CB GLN A 109 -8.507 -16.041 0.005 1.00 0.00 C ATOM 1804 CG GLN A 109 -9.836 -15.908 0.729 1.00 0.00 C ATOM 1805 CD GLN A 109 -10.322 -17.224 1.304 1.00 0.00 C ATOM 1806 OE1 GLN A 109 -10.703 -18.133 0.566 1.00 0.00 O ATOM 1807 NE2 GLN A 109 -10.311 -17.332 2.627 1.00 0.00 N ATOM 0 H GLN A 109 -7.433 -13.881 0.519 1.00 0.00 H new ATOM 0 HA GLN A 109 -7.577 -16.252 1.932 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.441 -15.268 -0.761 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.477 -17.002 -0.509 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.736 -15.179 1.533 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -10.584 -15.519 0.038 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -9.987 -16.553 3.200 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -10.627 -18.194 3.071 1.00 0.00 H new ATOM 1816 N LYS A 110 -5.531 -16.440 -0.660 1.00 0.00 N ATOM 1817 CA LYS A 110 -4.443 -17.219 -1.239 1.00 0.00 C ATOM 1818 C LYS A 110 -3.325 -17.433 -0.222 1.00 0.00 C ATOM 1819 O LYS A 110 -2.850 -18.552 -0.035 1.00 0.00 O ATOM 1820 CB LYS A 110 -3.890 -16.517 -2.481 1.00 0.00 C ATOM 1821 CG LYS A 110 -2.873 -17.345 -3.246 1.00 0.00 C ATOM 1822 CD LYS A 110 -3.546 -18.391 -4.119 1.00 0.00 C ATOM 1823 CE LYS A 110 -3.889 -17.834 -5.492 1.00 0.00 C ATOM 1824 NZ LYS A 110 -4.214 -18.914 -6.463 1.00 0.00 N ATOM 0 H LYS A 110 -5.743 -15.577 -1.160 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.840 -18.193 -1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -4.717 -16.268 -3.146 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -3.428 -15.576 -2.181 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.263 -16.690 -3.867 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -2.200 -17.836 -2.543 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.888 -19.253 -4.229 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -4.455 -18.744 -3.631 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -4.737 -17.155 -5.407 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -3.049 -17.249 -5.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -4.442 -18.493 -7.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.396 -19.548 -6.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -5.032 -19.456 -6.118 1.00 0.00 H new ATOM 1838 N VAL A 111 -2.912 -16.351 0.431 1.00 0.00 N ATOM 1839 CA VAL A 111 -1.854 -16.421 1.431 1.00 0.00 C ATOM 1840 C VAL A 111 -2.186 -17.441 2.514 1.00 0.00 C ATOM 1841 O VAL A 111 -1.329 -18.219 2.934 1.00 0.00 O ATOM 1842 CB VAL A 111 -1.611 -15.049 2.088 1.00 0.00 C ATOM 1843 CG1 VAL A 111 -0.567 -15.161 3.189 1.00 0.00 C ATOM 1844 CG2 VAL A 111 -1.189 -14.025 1.045 1.00 0.00 C ATOM 0 H VAL A 111 -3.294 -15.417 0.285 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.948 -16.732 0.911 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.545 -14.712 2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.409 -14.182 3.641 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.914 -15.860 3.950 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.371 -15.521 2.766 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.022 -13.062 1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.268 -14.354 0.563 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.974 -13.924 0.296 1.00 0.00 H new ATOM 1854 N LYS A 112 -3.436 -17.431 2.964 1.00 0.00 N ATOM 1855 CA LYS A 112 -3.885 -18.356 3.998 1.00 0.00 C ATOM 1856 C LYS A 112 -3.998 -19.774 3.448 1.00 0.00 C ATOM 1857 O LYS A 112 -3.847 -20.749 4.184 1.00 0.00 O ATOM 1858 CB LYS A 112 -5.235 -17.907 4.561 1.00 0.00 C ATOM 1859 CG LYS A 112 -5.133 -16.747 5.537 1.00 0.00 C ATOM 1860 CD LYS A 112 -6.364 -15.858 5.479 1.00 0.00 C ATOM 1861 CE LYS A 112 -7.623 -16.627 5.851 1.00 0.00 C ATOM 1862 NZ LYS A 112 -8.622 -15.756 6.530 1.00 0.00 N ATOM 0 H LYS A 112 -4.157 -16.792 2.629 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.145 -18.354 4.799 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -5.886 -17.620 3.735 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -5.709 -18.751 5.062 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.009 -17.132 6.549 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.246 -16.156 5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.238 -15.014 6.157 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -6.470 -15.447 4.475 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.066 -17.056 4.952 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.361 -17.458 6.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.466 -16.316 6.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -8.208 -15.367 7.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.891 -14.977 5.896 1.00 0.00 H new ATOM 1876 N ASP A 113 -4.262 -19.880 2.151 1.00 0.00 N ATOM 1877 CA ASP A 113 -4.392 -21.180 1.502 1.00 0.00 C ATOM 1878 C ASP A 113 -3.055 -21.915 1.483 1.00 0.00 C ATOM 1879 O ASP A 113 -2.989 -23.110 1.770 1.00 0.00 O ATOM 1880 CB ASP A 113 -4.915 -21.011 0.075 1.00 0.00 C ATOM 1881 CG ASP A 113 -5.464 -22.303 -0.498 1.00 0.00 C ATOM 1882 OD1 ASP A 113 -6.390 -22.877 0.114 1.00 0.00 O ATOM 1883 OD2 ASP A 113 -4.969 -22.742 -1.557 1.00 0.00 O ATOM 0 H ASP A 113 -4.390 -19.083 1.528 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.104 -21.774 2.074 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -5.697 -20.252 0.065 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -4.110 -20.647 -0.563 1.00 0.00 H new ATOM 1888 N ILE A 114 -1.993 -21.192 1.142 1.00 0.00 N ATOM 1889 CA ILE A 114 -0.659 -21.775 1.086 1.00 0.00 C ATOM 1890 C ILE A 114 -0.278 -22.407 2.422 1.00 0.00 C ATOM 1891 O ILE A 114 -0.453 -21.800 3.478 1.00 0.00 O ATOM 1892 CB ILE A 114 0.400 -20.722 0.709 1.00 0.00 C ATOM 1893 CG1 ILE A 114 0.527 -20.618 -0.812 1.00 0.00 C ATOM 1894 CG2 ILE A 114 1.741 -21.073 1.336 1.00 0.00 C ATOM 1895 CD1 ILE A 114 -0.735 -20.137 -1.493 1.00 0.00 C ATOM 0 H ILE A 114 -2.031 -20.202 0.901 1.00 0.00 H new ATOM 0 HA ILE A 114 -0.684 -22.546 0.316 1.00 0.00 H new ATOM 0 HB ILE A 114 0.083 -19.753 1.095 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.343 -19.937 -1.054 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.797 -21.595 -1.213 1.00 0.00 H new ATOM 0 HG21 ILE A 114 2.480 -20.320 1.061 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.639 -21.102 2.421 1.00 0.00 H new ATOM 0 HG23 ILE A 114 2.067 -22.049 0.976 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.571 -20.088 -2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.549 -20.830 -1.281 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.995 -19.146 -1.120 1.00 0.00 H new ATOM 1907 N GLN A 115 0.243 -23.628 2.365 1.00 0.00 N ATOM 1908 CA GLN A 115 0.650 -24.341 3.570 1.00 0.00 C ATOM 1909 C GLN A 115 2.164 -24.286 3.751 1.00 0.00 C ATOM 1910 O GLN A 115 2.919 -24.346 2.780 1.00 0.00 O ATOM 1911 CB GLN A 115 0.185 -25.797 3.508 1.00 0.00 C ATOM 1912 CG GLN A 115 0.561 -26.501 2.215 1.00 0.00 C ATOM 1913 CD GLN A 115 1.093 -27.902 2.447 1.00 0.00 C ATOM 1914 OE1 GLN A 115 0.897 -28.483 3.514 1.00 0.00 O ATOM 1915 NE2 GLN A 115 1.771 -28.452 1.446 1.00 0.00 N ATOM 0 H GLN A 115 0.393 -24.144 1.498 1.00 0.00 H new ATOM 0 HA GLN A 115 0.182 -23.853 4.425 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.615 -26.343 4.348 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -0.898 -25.829 3.628 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -0.313 -26.551 1.566 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.314 -25.913 1.691 1.00 0.00 H new ATOM 0 HE21 GLN A 115 1.910 -27.934 0.578 1.00 0.00 H new ATOM 0 HE22 GLN A 115 2.153 -29.393 1.545 1.00 0.00 H new ATOM 1924 N THR A 116 2.601 -24.170 5.001 1.00 0.00 N ATOM 1925 CA THR A 116 4.024 -24.105 5.309 1.00 0.00 C ATOM 1926 C THR A 116 4.318 -24.710 6.677 1.00 0.00 C ATOM 1927 O THR A 116 3.428 -25.256 7.329 1.00 0.00 O ATOM 1928 CB THR A 116 4.540 -22.654 5.280 1.00 0.00 C ATOM 1929 OG1 THR A 116 3.892 -21.884 6.299 1.00 0.00 O ATOM 1930 CG2 THR A 116 4.290 -22.018 3.921 1.00 0.00 C ATOM 0 H THR A 116 1.990 -24.119 5.816 1.00 0.00 H new ATOM 0 HA THR A 116 4.540 -24.681 4.541 1.00 0.00 H new ATOM 0 HB THR A 116 5.614 -22.669 5.464 1.00 0.00 H new ATOM 0 HG1 THR A 116 4.485 -21.803 7.075 1.00 0.00 H new ATOM 0 HG21 THR A 116 4.663 -20.994 3.925 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.808 -22.590 3.151 1.00 0.00 H new ATOM 0 HG23 THR A 116 3.220 -22.014 3.712 1.00 0.00 H new ATOM 1938 N GLN A 117 5.572 -24.607 7.107 1.00 0.00 N ATOM 1939 CA GLN A 117 5.982 -25.145 8.400 1.00 0.00 C ATOM 1940 C GLN A 117 5.068 -24.643 9.513 1.00 0.00 C ATOM 1941 O GLN A 117 4.524 -25.431 10.287 1.00 0.00 O ATOM 1942 CB GLN A 117 7.431 -24.757 8.700 1.00 0.00 C ATOM 1943 CG GLN A 117 8.449 -25.753 8.167 1.00 0.00 C ATOM 1944 CD GLN A 117 8.368 -27.098 8.863 1.00 0.00 C ATOM 1945 OE1 GLN A 117 7.593 -27.969 8.468 1.00 0.00 O ATOM 1946 NE2 GLN A 117 9.172 -27.276 9.905 1.00 0.00 N ATOM 0 H GLN A 117 6.321 -24.157 6.580 1.00 0.00 H new ATOM 0 HA GLN A 117 5.906 -26.231 8.355 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.633 -23.777 8.268 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.558 -24.662 9.778 1.00 0.00 H new ATOM 0 HG2 GLN A 117 8.291 -25.891 7.097 1.00 0.00 H new ATOM 0 HG3 GLN A 117 9.452 -25.344 8.291 1.00 0.00 H new ATOM 0 HE21 GLN A 117 9.799 -26.527 10.199 1.00 0.00 H new ATOM 0 HE22 GLN A 117 9.162 -28.161 10.411 1.00 0.00 H new TER 1955 GLN A 117