USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 706 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 GLN : amide:sc= -3.99! K(o=-3.6!,f=-0.27) USER MOD Set 1.2: A 63 GLN : amide:sc= 0.424 K(o=-3.6,f=-8.6!) USER MOD Set 2.1: A 55 THR OG1 : rot 180:sc= 0.0168 USER MOD Set 2.2: A 56 GLN : amide:sc= -6.63! K(o=-6.6!,f=-1.8) USER MOD Set 3.1: A 46 MET CE :methyl -154:sc= -2.18 (180deg=-3.78!) USER MOD Set 3.2: A 50 LYS NZ :NH3+ 173:sc= 0.613 (180deg=0.515) USER MOD Set 4.1: A 41 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 67 TYR OH : rot -77:sc= 0.00693 USER MOD Set 5.1: A 7 GLN : amide:sc= -0.138 K(o=0.25,f=-1.6!) USER MOD Set 5.2: A 29 GLN : amide:sc= 0.385 K(o=0.25,f=-3.8!) USER MOD Set 6.1: A 10 GLN : amide:sc= 0.0252 K(o=0.089,f=0.72) USER MOD Set 6.2: A 26 CYS SG : rot -130:sc= 0.0636 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0104) USER MOD Single : A 12 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.28) USER MOD Single : A 13 SER OG : rot -35:sc= 0.0299 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -1.17 K(o=-1.2,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 27 TYR OH : rot 68:sc= 0.585 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -2.41! K(o=-2.4!,f=-0.38) USER MOD Single : A 36 GLN : amide:sc= -2.16 K(o=-2.2,f=-0.03) USER MOD Single : A 37 ASN : amide:sc= 0.114 K(o=0.11,f=-3.7) USER MOD Single : A 42 SER OG : rot -49:sc= -0.627 USER MOD Single : A 43 ASN : amide:sc= -3.89! C(o=-3.9!,f=-9.9!) USER MOD Single : A 44 LYS NZ :NH3+ 164:sc= 1.3 (180deg=1.06) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0486 X(o=-0.049,f=-0.38) USER MOD Single : A 60 MET CE :methyl 157:sc= -0.532 (180deg=-1.84) USER MOD Single : A 61 CYS SG : rot 81:sc= 0.0476 USER MOD Single : A 68 THR OG1 : rot 180:sc=-0.00443 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0607 USER MOD Single : A 73 HIS : no HE2:sc= -2.8! C(o=-2.8!,f=-4.3!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 152:sc= 0.235 (180deg=-1.7!) USER MOD Single : A 81 GLN : amide:sc= -8.28! C(o=-8.3!,f=-7.5!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0.561 K(o=0.56,f=0) USER MOD ----------------------------------------------------------------- ATOM 31 N PHE A 4 19.979 -6.251 -6.461 1.00 0.00 N ATOM 32 CA PHE A 4 18.952 -5.426 -7.095 1.00 0.00 C ATOM 33 C PHE A 4 19.622 -4.162 -7.588 1.00 0.00 C ATOM 34 O PHE A 4 19.302 -3.620 -8.643 1.00 0.00 O ATOM 35 CB PHE A 4 17.913 -5.051 -6.035 1.00 0.00 C ATOM 36 CG PHE A 4 16.891 -4.022 -6.470 1.00 0.00 C ATOM 37 CD1 PHE A 4 17.168 -2.646 -6.389 1.00 0.00 C ATOM 38 CD2 PHE A 4 15.645 -4.449 -6.946 1.00 0.00 C ATOM 39 CE1 PHE A 4 16.197 -1.712 -6.776 1.00 0.00 C ATOM 40 CE2 PHE A 4 14.678 -3.515 -7.340 1.00 0.00 C ATOM 41 CZ PHE A 4 14.963 -2.143 -7.281 1.00 0.00 C ATOM 0 HA PHE A 4 18.472 -5.956 -7.918 1.00 0.00 H new ATOM 0 HB2 PHE A 4 17.387 -5.955 -5.729 1.00 0.00 H new ATOM 0 HB3 PHE A 4 18.435 -4.673 -5.156 1.00 0.00 H new ATOM 0 HD1 PHE A 4 18.129 -2.309 -6.029 1.00 0.00 H new ATOM 0 HD2 PHE A 4 15.428 -5.505 -7.010 1.00 0.00 H new ATOM 0 HE1 PHE A 4 16.401 -0.655 -6.685 1.00 0.00 H new ATOM 0 HE2 PHE A 4 13.713 -3.851 -7.689 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.235 -1.422 -7.623 1.00 0.00 H new ATOM 51 N GLU A 5 20.576 -3.699 -6.786 1.00 0.00 N ATOM 52 CA GLU A 5 21.364 -2.528 -7.039 1.00 0.00 C ATOM 53 C GLU A 5 22.078 -2.569 -8.377 1.00 0.00 C ATOM 54 O GLU A 5 22.122 -1.560 -9.068 1.00 0.00 O ATOM 55 CB GLU A 5 22.431 -2.473 -5.959 1.00 0.00 C ATOM 56 CG GLU A 5 21.830 -2.293 -4.566 1.00 0.00 C ATOM 57 CD GLU A 5 21.280 -3.590 -3.972 1.00 0.00 C ATOM 58 OE1 GLU A 5 21.722 -4.671 -4.422 1.00 0.00 O ATOM 59 OE2 GLU A 5 20.420 -3.488 -3.071 1.00 0.00 O ATOM 0 H GLU A 5 20.820 -4.159 -5.909 1.00 0.00 H new ATOM 0 HA GLU A 5 20.698 -1.665 -7.045 1.00 0.00 H new ATOM 0 HB2 GLU A 5 23.019 -3.390 -5.984 1.00 0.00 H new ATOM 0 HB3 GLU A 5 23.115 -1.650 -6.167 1.00 0.00 H new ATOM 0 HG2 GLU A 5 22.592 -1.890 -3.899 1.00 0.00 H new ATOM 0 HG3 GLU A 5 21.028 -1.556 -4.616 1.00 0.00 H new ATOM 66 N LYS A 6 22.646 -3.709 -8.772 1.00 0.00 N ATOM 67 CA LYS A 6 23.481 -3.705 -9.957 1.00 0.00 C ATOM 68 C LYS A 6 22.602 -3.651 -11.188 1.00 0.00 C ATOM 69 O LYS A 6 22.925 -2.984 -12.160 1.00 0.00 O ATOM 70 CB LYS A 6 24.348 -4.952 -9.987 1.00 0.00 C ATOM 71 CG LYS A 6 25.740 -4.654 -9.439 1.00 0.00 C ATOM 72 CD LYS A 6 25.710 -4.220 -7.973 1.00 0.00 C ATOM 73 CE LYS A 6 27.148 -4.002 -7.511 1.00 0.00 C ATOM 74 NZ LYS A 6 27.203 -3.562 -6.105 1.00 0.00 N ATOM 0 H LYS A 6 22.546 -4.610 -8.305 1.00 0.00 H new ATOM 0 HA LYS A 6 24.131 -2.830 -9.940 1.00 0.00 H new ATOM 0 HB2 LYS A 6 23.881 -5.740 -9.397 1.00 0.00 H new ATOM 0 HB3 LYS A 6 24.426 -5.322 -11.009 1.00 0.00 H new ATOM 0 HG2 LYS A 6 26.364 -5.542 -9.539 1.00 0.00 H new ATOM 0 HG3 LYS A 6 26.203 -3.869 -10.038 1.00 0.00 H new ATOM 0 HD2 LYS A 6 25.131 -3.303 -7.860 1.00 0.00 H new ATOM 0 HD3 LYS A 6 25.225 -4.981 -7.361 1.00 0.00 H new ATOM 0 HE2 LYS A 6 27.712 -4.927 -7.626 1.00 0.00 H new ATOM 0 HE3 LYS A 6 27.626 -3.256 -8.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 28.194 -3.423 -5.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 26.685 -2.666 -6.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 26.769 -4.286 -5.497 1.00 0.00 H new ATOM 88 N GLN A 7 21.478 -4.354 -11.136 1.00 0.00 N ATOM 89 CA GLN A 7 20.446 -4.284 -12.149 1.00 0.00 C ATOM 90 C GLN A 7 19.864 -2.870 -12.255 1.00 0.00 C ATOM 91 O GLN A 7 19.156 -2.563 -13.211 1.00 0.00 O ATOM 92 CB GLN A 7 19.377 -5.284 -11.729 1.00 0.00 C ATOM 93 CG GLN A 7 19.991 -6.677 -11.592 1.00 0.00 C ATOM 94 CD GLN A 7 20.153 -7.341 -12.948 1.00 0.00 C ATOM 95 OE1 GLN A 7 20.901 -6.872 -13.805 1.00 0.00 O ATOM 96 NE2 GLN A 7 19.446 -8.443 -13.155 1.00 0.00 N ATOM 0 H GLN A 7 21.259 -4.997 -10.375 1.00 0.00 H new ATOM 0 HA GLN A 7 20.847 -4.521 -13.135 1.00 0.00 H new ATOM 0 HB2 GLN A 7 18.933 -4.978 -10.782 1.00 0.00 H new ATOM 0 HB3 GLN A 7 18.574 -5.302 -12.466 1.00 0.00 H new ATOM 0 HG2 GLN A 7 20.962 -6.603 -11.102 1.00 0.00 H new ATOM 0 HG3 GLN A 7 19.359 -7.295 -10.955 1.00 0.00 H new ATOM 0 HE21 GLN A 7 18.836 -8.803 -12.421 1.00 0.00 H new ATOM 0 HE22 GLN A 7 19.512 -8.931 -14.048 1.00 0.00 H new ATOM 105 N LYS A 8 20.165 -2.012 -11.272 1.00 0.00 N ATOM 106 CA LYS A 8 19.686 -0.641 -11.205 1.00 0.00 C ATOM 107 C LYS A 8 20.806 0.365 -11.474 1.00 0.00 C ATOM 108 O LYS A 8 20.534 1.532 -11.732 1.00 0.00 O ATOM 109 CB LYS A 8 19.135 -0.464 -9.800 1.00 0.00 C ATOM 110 CG LYS A 8 18.547 0.925 -9.582 1.00 0.00 C ATOM 111 CD LYS A 8 17.906 0.943 -8.204 1.00 0.00 C ATOM 112 CE LYS A 8 18.931 0.562 -7.143 1.00 0.00 C ATOM 113 NZ LYS A 8 18.481 0.929 -5.783 1.00 0.00 N ATOM 0 H LYS A 8 20.763 -2.266 -10.486 1.00 0.00 H new ATOM 0 HA LYS A 8 18.928 -0.458 -11.967 1.00 0.00 H new ATOM 0 HB2 LYS A 8 18.367 -1.215 -9.616 1.00 0.00 H new ATOM 0 HB3 LYS A 8 19.930 -0.638 -9.075 1.00 0.00 H new ATOM 0 HG2 LYS A 8 19.325 1.685 -9.652 1.00 0.00 H new ATOM 0 HG3 LYS A 8 17.808 1.153 -10.351 1.00 0.00 H new ATOM 0 HD2 LYS A 8 17.506 1.935 -7.994 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.067 0.248 -8.176 1.00 0.00 H new ATOM 0 HE2 LYS A 8 19.116 -0.511 -7.187 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.877 1.058 -7.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 19.258 0.779 -5.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 18.199 1.930 -5.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.669 0.337 -5.514 1.00 0.00 H new ATOM 127 N GLU A 9 22.056 -0.091 -11.411 1.00 0.00 N ATOM 128 CA GLU A 9 23.240 0.744 -11.594 1.00 0.00 C ATOM 129 C GLU A 9 23.952 0.409 -12.898 1.00 0.00 C ATOM 130 O GLU A 9 24.718 1.217 -13.422 1.00 0.00 O ATOM 131 CB GLU A 9 24.176 0.531 -10.411 1.00 0.00 C ATOM 132 CG GLU A 9 23.450 1.005 -9.156 1.00 0.00 C ATOM 133 CD GLU A 9 23.616 2.504 -8.924 1.00 0.00 C ATOM 134 OE1 GLU A 9 24.781 2.947 -8.814 1.00 0.00 O ATOM 135 OE2 GLU A 9 22.576 3.193 -8.860 1.00 0.00 O ATOM 0 H GLU A 9 22.277 -1.070 -11.228 1.00 0.00 H new ATOM 0 HA GLU A 9 22.936 1.789 -11.645 1.00 0.00 H new ATOM 0 HB2 GLU A 9 24.447 -0.521 -10.322 1.00 0.00 H new ATOM 0 HB3 GLU A 9 25.102 1.088 -10.551 1.00 0.00 H new ATOM 0 HG2 GLU A 9 22.390 0.768 -9.241 1.00 0.00 H new ATOM 0 HG3 GLU A 9 23.830 0.461 -8.291 1.00 0.00 H new ATOM 142 N GLN A 10 23.699 -0.790 -13.422 1.00 0.00 N ATOM 143 CA GLN A 10 24.195 -1.170 -14.733 1.00 0.00 C ATOM 144 C GLN A 10 23.393 -0.467 -15.824 1.00 0.00 C ATOM 145 O GLN A 10 23.966 0.218 -16.668 1.00 0.00 O ATOM 146 CB GLN A 10 24.090 -2.686 -14.911 1.00 0.00 C ATOM 147 CG GLN A 10 24.981 -3.137 -16.066 1.00 0.00 C ATOM 148 CD GLN A 10 24.367 -4.314 -16.808 1.00 0.00 C ATOM 149 OE1 GLN A 10 24.721 -5.466 -16.576 1.00 0.00 O ATOM 150 NE2 GLN A 10 23.434 -4.021 -17.712 1.00 0.00 N ATOM 0 H GLN A 10 23.152 -1.512 -12.953 1.00 0.00 H new ATOM 0 HA GLN A 10 25.240 -0.870 -14.813 1.00 0.00 H new ATOM 0 HB2 GLN A 10 24.388 -3.190 -13.992 1.00 0.00 H new ATOM 0 HB3 GLN A 10 23.055 -2.967 -15.107 1.00 0.00 H new ATOM 0 HG2 GLN A 10 25.133 -2.308 -16.757 1.00 0.00 H new ATOM 0 HG3 GLN A 10 25.963 -3.417 -15.684 1.00 0.00 H new ATOM 0 HE21 GLN A 10 23.169 -3.050 -17.874 1.00 0.00 H new ATOM 0 HE22 GLN A 10 22.985 -4.768 -18.242 1.00 0.00 H new ATOM 159 N GLY A 11 22.067 -0.632 -15.811 1.00 0.00 N ATOM 160 CA GLY A 11 21.200 0.032 -16.771 1.00 0.00 C ATOM 161 C GLY A 11 21.273 1.544 -16.594 1.00 0.00 C ATOM 162 O GLY A 11 20.887 2.300 -17.482 1.00 0.00 O ATOM 0 H GLY A 11 21.575 -1.223 -15.141 1.00 0.00 H new ATOM 0 HA2 GLY A 11 21.496 -0.237 -17.785 1.00 0.00 H new ATOM 0 HA3 GLY A 11 20.173 -0.307 -16.638 1.00 0.00 H new ATOM 166 N ASN A 12 21.778 1.981 -15.436 1.00 0.00 N ATOM 167 CA ASN A 12 21.944 3.378 -15.061 1.00 0.00 C ATOM 168 C ASN A 12 22.916 4.092 -15.997 1.00 0.00 C ATOM 169 O ASN A 12 23.078 5.304 -15.899 1.00 0.00 O ATOM 170 CB ASN A 12 22.478 3.388 -13.633 1.00 0.00 C ATOM 171 CG ASN A 12 22.092 4.587 -12.782 1.00 0.00 C ATOM 172 OD1 ASN A 12 21.917 5.699 -13.269 1.00 0.00 O ATOM 173 ND2 ASN A 12 21.961 4.335 -11.481 1.00 0.00 N ATOM 0 H ASN A 12 22.094 1.340 -14.708 1.00 0.00 H new ATOM 0 HA ASN A 12 20.993 3.906 -15.133 1.00 0.00 H new ATOM 0 HB2 ASN A 12 22.131 2.485 -13.131 1.00 0.00 H new ATOM 0 HB3 ASN A 12 23.566 3.332 -13.673 1.00 0.00 H new ATOM 0 HD21 ASN A 12 21.704 5.085 -10.840 1.00 0.00 H new ATOM 0 HD22 ASN A 12 22.118 3.392 -11.126 1.00 0.00 H new ATOM 180 N SER A 13 23.564 3.353 -16.904 1.00 0.00 N ATOM 181 CA SER A 13 24.385 3.965 -17.939 1.00 0.00 C ATOM 182 C SER A 13 23.980 3.487 -19.329 1.00 0.00 C ATOM 183 O SER A 13 24.190 4.208 -20.299 1.00 0.00 O ATOM 184 CB SER A 13 25.859 3.696 -17.658 1.00 0.00 C ATOM 185 OG SER A 13 26.134 2.317 -17.789 1.00 0.00 O ATOM 0 H SER A 13 23.532 2.334 -16.937 1.00 0.00 H new ATOM 0 HA SER A 13 24.222 5.043 -17.919 1.00 0.00 H new ATOM 0 HB2 SER A 13 26.479 4.266 -18.350 1.00 0.00 H new ATOM 0 HB3 SER A 13 26.113 4.031 -16.652 1.00 0.00 H new ATOM 0 HG SER A 13 25.362 1.799 -17.480 1.00 0.00 H new ATOM 191 N LEU A 14 23.392 2.293 -19.458 1.00 0.00 N ATOM 192 CA LEU A 14 22.846 1.852 -20.737 1.00 0.00 C ATOM 193 C LEU A 14 21.704 2.785 -21.142 1.00 0.00 C ATOM 194 O LEU A 14 21.481 3.018 -22.329 1.00 0.00 O ATOM 195 CB LEU A 14 22.323 0.414 -20.610 1.00 0.00 C ATOM 196 CG LEU A 14 23.387 -0.669 -20.766 1.00 0.00 C ATOM 197 CD1 LEU A 14 24.069 -0.822 -19.427 1.00 0.00 C ATOM 198 CD2 LEU A 14 22.726 -1.999 -21.118 1.00 0.00 C ATOM 0 H LEU A 14 23.284 1.623 -18.697 1.00 0.00 H new ATOM 0 HA LEU A 14 23.627 1.878 -21.497 1.00 0.00 H new ATOM 0 HB2 LEU A 14 21.848 0.300 -19.636 1.00 0.00 H new ATOM 0 HB3 LEU A 14 21.550 0.255 -21.362 1.00 0.00 H new ATOM 0 HG LEU A 14 24.091 -0.396 -21.552 1.00 0.00 H new ATOM 0 HD11 LEU A 14 24.839 -1.590 -19.497 1.00 0.00 H new ATOM 0 HD12 LEU A 14 24.526 0.125 -19.141 1.00 0.00 H new ATOM 0 HD13 LEU A 14 23.335 -1.112 -18.676 1.00 0.00 H new ATOM 0 HD21 LEU A 14 23.491 -2.768 -21.228 1.00 0.00 H new ATOM 0 HD22 LEU A 14 22.037 -2.284 -20.323 1.00 0.00 H new ATOM 0 HD23 LEU A 14 22.178 -1.896 -22.054 1.00 0.00 H new ATOM 210 N PHE A 15 20.984 3.328 -20.157 1.00 0.00 N ATOM 211 CA PHE A 15 19.891 4.257 -20.391 1.00 0.00 C ATOM 212 C PHE A 15 20.431 5.589 -20.892 1.00 0.00 C ATOM 213 O PHE A 15 19.803 6.243 -21.717 1.00 0.00 O ATOM 214 CB PHE A 15 19.168 4.452 -19.057 1.00 0.00 C ATOM 215 CG PHE A 15 18.343 5.709 -18.932 1.00 0.00 C ATOM 216 CD1 PHE A 15 17.142 5.850 -19.638 1.00 0.00 C ATOM 217 CD2 PHE A 15 18.779 6.737 -18.087 1.00 0.00 C ATOM 218 CE1 PHE A 15 16.384 7.020 -19.502 1.00 0.00 C ATOM 219 CE2 PHE A 15 18.005 7.889 -17.918 1.00 0.00 C ATOM 220 CZ PHE A 15 16.813 8.041 -18.639 1.00 0.00 C ATOM 0 H PHE A 15 21.149 3.130 -19.170 1.00 0.00 H new ATOM 0 HA PHE A 15 19.210 3.867 -21.147 1.00 0.00 H new ATOM 0 HB2 PHE A 15 18.516 3.595 -18.891 1.00 0.00 H new ATOM 0 HB3 PHE A 15 19.911 4.447 -18.259 1.00 0.00 H new ATOM 0 HD1 PHE A 15 16.800 5.057 -20.287 1.00 0.00 H new ATOM 0 HD2 PHE A 15 19.718 6.639 -17.563 1.00 0.00 H new ATOM 0 HE1 PHE A 15 15.468 7.137 -20.062 1.00 0.00 H new ATOM 0 HE2 PHE A 15 18.325 8.660 -17.233 1.00 0.00 H new ATOM 0 HZ PHE A 15 16.226 8.941 -18.531 1.00 0.00 H new ATOM 230 N LYS A 16 21.602 5.989 -20.395 1.00 0.00 N ATOM 231 CA LYS A 16 22.160 7.291 -20.715 1.00 0.00 C ATOM 232 C LYS A 16 22.954 7.290 -22.026 1.00 0.00 C ATOM 233 O LYS A 16 23.393 8.346 -22.475 1.00 0.00 O ATOM 234 CB LYS A 16 23.030 7.739 -19.547 1.00 0.00 C ATOM 235 CG LYS A 16 22.288 7.447 -18.246 1.00 0.00 C ATOM 236 CD LYS A 16 23.005 8.065 -17.057 1.00 0.00 C ATOM 237 CE LYS A 16 22.751 9.570 -17.028 1.00 0.00 C ATOM 238 NZ LYS A 16 23.342 10.191 -15.829 1.00 0.00 N ATOM 0 H LYS A 16 22.178 5.425 -19.770 1.00 0.00 H new ATOM 0 HA LYS A 16 21.340 7.993 -20.868 1.00 0.00 H new ATOM 0 HB2 LYS A 16 23.985 7.214 -19.564 1.00 0.00 H new ATOM 0 HB3 LYS A 16 23.250 8.804 -19.626 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.273 7.839 -18.307 1.00 0.00 H new ATOM 0 HG3 LYS A 16 22.205 6.369 -18.105 1.00 0.00 H new ATOM 0 HD2 LYS A 16 22.654 7.609 -16.131 1.00 0.00 H new ATOM 0 HD3 LYS A 16 24.075 7.868 -17.123 1.00 0.00 H new ATOM 0 HE2 LYS A 16 23.172 10.029 -17.923 1.00 0.00 H new ATOM 0 HE3 LYS A 16 21.678 9.760 -17.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 23.152 11.214 -15.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 22.922 9.769 -14.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 24.369 10.029 -15.825 1.00 0.00 H new ATOM 252 N GLN A 17 23.145 6.116 -22.639 1.00 0.00 N ATOM 253 CA GLN A 17 23.929 5.959 -23.854 1.00 0.00 C ATOM 254 C GLN A 17 23.076 6.055 -25.110 1.00 0.00 C ATOM 255 O GLN A 17 23.590 6.385 -26.179 1.00 0.00 O ATOM 256 CB GLN A 17 24.587 4.579 -23.830 1.00 0.00 C ATOM 257 CG GLN A 17 25.850 4.630 -22.980 1.00 0.00 C ATOM 258 CD GLN A 17 26.615 3.322 -23.075 1.00 0.00 C ATOM 259 OE1 GLN A 17 27.628 3.228 -23.766 1.00 0.00 O ATOM 260 NE2 GLN A 17 26.134 2.297 -22.381 1.00 0.00 N ATOM 0 H GLN A 17 22.751 5.241 -22.295 1.00 0.00 H new ATOM 0 HA GLN A 17 24.665 6.763 -23.882 1.00 0.00 H new ATOM 0 HB2 GLN A 17 23.894 3.841 -23.426 1.00 0.00 H new ATOM 0 HB3 GLN A 17 24.832 4.264 -24.844 1.00 0.00 H new ATOM 0 HG2 GLN A 17 26.484 5.453 -23.311 1.00 0.00 H new ATOM 0 HG3 GLN A 17 25.587 4.828 -21.941 1.00 0.00 H new ATOM 0 HE21 GLN A 17 25.291 2.413 -21.819 1.00 0.00 H new ATOM 0 HE22 GLN A 17 26.608 1.394 -22.410 1.00 0.00 H new ATOM 269 N GLY A 18 21.779 5.768 -24.997 1.00 0.00 N ATOM 270 CA GLY A 18 20.906 5.762 -26.162 1.00 0.00 C ATOM 271 C GLY A 18 20.012 4.548 -26.227 1.00 0.00 C ATOM 272 O GLY A 18 19.015 4.528 -26.947 1.00 0.00 O ATOM 0 H GLY A 18 21.317 5.539 -24.117 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.288 6.660 -26.150 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.515 5.806 -27.065 1.00 0.00 H new ATOM 276 N LEU A 19 20.386 3.530 -25.463 1.00 0.00 N ATOM 277 CA LEU A 19 19.812 2.212 -25.576 1.00 0.00 C ATOM 278 C LEU A 19 18.944 1.922 -24.374 1.00 0.00 C ATOM 279 O LEU A 19 19.154 0.989 -23.602 1.00 0.00 O ATOM 280 CB LEU A 19 20.903 1.200 -25.891 1.00 0.00 C ATOM 281 CG LEU A 19 22.271 1.406 -25.220 1.00 0.00 C ATOM 282 CD1 LEU A 19 22.383 0.494 -24.008 1.00 0.00 C ATOM 283 CD2 LEU A 19 23.402 1.032 -26.171 1.00 0.00 C ATOM 0 H LEU A 19 21.104 3.605 -24.743 1.00 0.00 H new ATOM 0 HA LEU A 19 19.127 2.140 -26.421 1.00 0.00 H new ATOM 0 HB2 LEU A 19 20.537 0.212 -25.613 1.00 0.00 H new ATOM 0 HB3 LEU A 19 21.054 1.192 -26.970 1.00 0.00 H new ATOM 0 HG LEU A 19 22.350 2.456 -24.938 1.00 0.00 H new ATOM 0 HD11 LEU A 19 23.353 0.639 -23.532 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.591 0.733 -23.299 1.00 0.00 H new ATOM 0 HD13 LEU A 19 22.286 -0.545 -24.324 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.360 1.186 -25.675 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.305 -0.015 -26.457 1.00 0.00 H new ATOM 0 HD23 LEU A 19 23.350 1.658 -27.062 1.00 0.00 H new ATOM 295 N TYR A 20 17.948 2.792 -24.267 1.00 0.00 N ATOM 296 CA TYR A 20 16.926 2.794 -23.253 1.00 0.00 C ATOM 297 C TYR A 20 16.371 1.399 -23.039 1.00 0.00 C ATOM 298 O TYR A 20 16.140 1.010 -21.903 1.00 0.00 O ATOM 299 CB TYR A 20 15.839 3.738 -23.755 1.00 0.00 C ATOM 300 CG TYR A 20 16.417 5.052 -24.233 1.00 0.00 C ATOM 301 CD1 TYR A 20 17.222 5.805 -23.369 1.00 0.00 C ATOM 302 CD2 TYR A 20 16.167 5.498 -25.539 1.00 0.00 C ATOM 303 CE1 TYR A 20 17.784 7.012 -23.811 1.00 0.00 C ATOM 304 CE2 TYR A 20 16.731 6.700 -25.989 1.00 0.00 C ATOM 305 CZ TYR A 20 17.541 7.461 -25.126 1.00 0.00 C ATOM 306 OH TYR A 20 18.089 8.631 -25.563 1.00 0.00 O ATOM 0 H TYR A 20 17.834 3.558 -24.931 1.00 0.00 H new ATOM 0 HA TYR A 20 17.324 3.119 -22.292 1.00 0.00 H new ATOM 0 HB2 TYR A 20 15.292 3.263 -24.570 1.00 0.00 H new ATOM 0 HB3 TYR A 20 15.122 3.925 -22.956 1.00 0.00 H new ATOM 0 HD1 TYR A 20 17.410 5.457 -22.364 1.00 0.00 H new ATOM 0 HD2 TYR A 20 15.540 4.916 -26.198 1.00 0.00 H new ATOM 0 HE1 TYR A 20 18.402 7.597 -23.145 1.00 0.00 H new ATOM 0 HE2 TYR A 20 16.544 7.041 -26.996 1.00 0.00 H new ATOM 0 HH TYR A 20 17.822 8.791 -26.492 1.00 0.00 H new ATOM 316 N ARG A 21 16.161 0.640 -24.119 1.00 0.00 N ATOM 317 CA ARG A 21 15.543 -0.672 -24.025 1.00 0.00 C ATOM 318 C ARG A 21 16.530 -1.646 -23.418 1.00 0.00 C ATOM 319 O ARG A 21 16.147 -2.437 -22.566 1.00 0.00 O ATOM 320 CB ARG A 21 15.181 -1.132 -25.434 1.00 0.00 C ATOM 321 CG ARG A 21 13.918 -1.987 -25.459 1.00 0.00 C ATOM 322 CD ARG A 21 13.860 -3.062 -24.373 1.00 0.00 C ATOM 323 NE ARG A 21 12.650 -3.883 -24.515 1.00 0.00 N ATOM 324 CZ ARG A 21 12.411 -4.997 -23.818 1.00 0.00 C ATOM 325 NH1 ARG A 21 13.296 -5.445 -22.929 1.00 0.00 N ATOM 326 NH2 ARG A 21 11.281 -5.669 -24.006 1.00 0.00 N ATOM 0 H ARG A 21 16.413 0.919 -25.067 1.00 0.00 H new ATOM 0 HA ARG A 21 14.650 -0.627 -23.401 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.039 -0.260 -26.073 1.00 0.00 H new ATOM 0 HB3 ARG A 21 16.011 -1.702 -25.852 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.051 -1.335 -25.354 1.00 0.00 H new ATOM 0 HG3 ARG A 21 13.839 -2.468 -26.434 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.744 -3.696 -24.435 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.873 -2.593 -23.389 1.00 0.00 H new ATOM 0 HE ARG A 21 11.947 -3.583 -25.190 1.00 0.00 H new ATOM 0 HH11 ARG A 21 14.166 -4.936 -22.775 1.00 0.00 H new ATOM 0 HH12 ARG A 21 13.103 -6.297 -22.402 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.595 -5.334 -24.683 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.099 -6.520 -23.474 1.00 0.00 H new ATOM 340 N GLU A 22 17.792 -1.592 -23.843 1.00 0.00 N ATOM 341 CA GLU A 22 18.814 -2.463 -23.284 1.00 0.00 C ATOM 342 C GLU A 22 18.997 -2.146 -21.802 1.00 0.00 C ATOM 343 O GLU A 22 19.439 -2.992 -21.029 1.00 0.00 O ATOM 344 CB GLU A 22 20.133 -2.264 -24.030 1.00 0.00 C ATOM 345 CG GLU A 22 19.969 -2.562 -25.517 1.00 0.00 C ATOM 346 CD GLU A 22 21.297 -2.507 -26.267 1.00 0.00 C ATOM 347 OE1 GLU A 22 22.268 -3.130 -25.782 1.00 0.00 O ATOM 348 OE2 GLU A 22 21.339 -1.840 -27.326 1.00 0.00 O ATOM 0 H GLU A 22 18.125 -0.957 -24.568 1.00 0.00 H new ATOM 0 HA GLU A 22 18.503 -3.502 -23.393 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.480 -1.239 -23.897 1.00 0.00 H new ATOM 0 HB3 GLU A 22 20.897 -2.916 -23.607 1.00 0.00 H new ATOM 0 HG2 GLU A 22 19.525 -3.550 -25.641 1.00 0.00 H new ATOM 0 HG3 GLU A 22 19.276 -1.844 -25.955 1.00 0.00 H new ATOM 355 N ALA A 23 18.654 -0.917 -21.410 1.00 0.00 N ATOM 356 CA ALA A 23 18.693 -0.498 -20.023 1.00 0.00 C ATOM 357 C ALA A 23 17.518 -1.086 -19.241 1.00 0.00 C ATOM 358 O ALA A 23 17.682 -1.471 -18.088 1.00 0.00 O ATOM 359 CB ALA A 23 18.659 1.029 -19.986 1.00 0.00 C ATOM 0 H ALA A 23 18.342 -0.189 -22.053 1.00 0.00 H new ATOM 0 HA ALA A 23 19.606 -0.862 -19.552 1.00 0.00 H new ATOM 0 HB1 ALA A 23 18.687 1.369 -18.951 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.522 1.425 -20.522 1.00 0.00 H new ATOM 0 HB3 ALA A 23 17.744 1.384 -20.459 1.00 0.00 H new ATOM 365 N VAL A 24 16.329 -1.165 -19.857 1.00 0.00 N ATOM 366 CA VAL A 24 15.150 -1.687 -19.219 1.00 0.00 C ATOM 367 C VAL A 24 15.269 -3.183 -19.086 1.00 0.00 C ATOM 368 O VAL A 24 14.700 -3.818 -18.208 1.00 0.00 O ATOM 369 CB VAL A 24 13.883 -1.370 -20.008 1.00 0.00 C ATOM 370 CG1 VAL A 24 13.839 -0.022 -20.698 1.00 0.00 C ATOM 371 CG2 VAL A 24 13.303 -2.493 -20.840 1.00 0.00 C ATOM 0 H VAL A 24 16.176 -0.862 -20.819 1.00 0.00 H new ATOM 0 HA VAL A 24 15.073 -1.213 -18.240 1.00 0.00 H new ATOM 0 HB VAL A 24 13.177 -1.269 -19.184 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.891 0.086 -21.225 1.00 0.00 H new ATOM 0 HG12 VAL A 24 13.934 0.770 -19.955 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.660 0.049 -21.411 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.407 -2.142 -21.351 1.00 0.00 H new ATOM 0 HG22 VAL A 24 14.038 -2.817 -21.577 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.046 -3.331 -20.192 1.00 0.00 H new ATOM 381 N HIS A 25 16.043 -3.719 -20.013 1.00 0.00 N ATOM 382 CA HIS A 25 16.328 -5.123 -20.139 1.00 0.00 C ATOM 383 C HIS A 25 17.055 -5.682 -18.908 1.00 0.00 C ATOM 384 O HIS A 25 17.276 -6.887 -18.817 1.00 0.00 O ATOM 385 CB HIS A 25 17.141 -5.304 -21.407 1.00 0.00 C ATOM 386 CG HIS A 25 16.657 -6.427 -22.273 1.00 0.00 C ATOM 387 ND1 HIS A 25 16.353 -7.729 -21.872 1.00 0.00 N ATOM 388 CD2 HIS A 25 16.416 -6.297 -23.604 1.00 0.00 C ATOM 389 CE1 HIS A 25 15.924 -8.345 -22.984 1.00 0.00 C ATOM 390 NE2 HIS A 25 15.956 -7.514 -24.041 1.00 0.00 N ATOM 0 H HIS A 25 16.507 -3.156 -20.726 1.00 0.00 H new ATOM 0 HA HIS A 25 15.398 -5.688 -20.201 1.00 0.00 H new ATOM 0 HB2 HIS A 25 17.116 -4.377 -21.980 1.00 0.00 H new ATOM 0 HB3 HIS A 25 18.182 -5.485 -21.139 1.00 0.00 H new ATOM 0 HD2 HIS A 25 16.559 -5.409 -24.202 1.00 0.00 H new ATOM 0 HE1 HIS A 25 15.596 -9.373 -23.025 1.00 0.00 H new ATOM 0 HE2 HIS A 25 15.686 -7.747 -24.997 1.00 0.00 H new ATOM 398 N CYS A 26 17.423 -4.806 -17.968 1.00 0.00 N ATOM 399 CA CYS A 26 18.023 -5.182 -16.696 1.00 0.00 C ATOM 400 C CYS A 26 17.195 -4.576 -15.562 1.00 0.00 C ATOM 401 O CYS A 26 17.145 -5.118 -14.461 1.00 0.00 O ATOM 402 CB CYS A 26 19.469 -4.691 -16.641 1.00 0.00 C ATOM 403 SG CYS A 26 20.428 -5.490 -17.955 1.00 0.00 S ATOM 0 H CYS A 26 17.308 -3.798 -18.077 1.00 0.00 H new ATOM 0 HA CYS A 26 18.031 -6.267 -16.589 1.00 0.00 H new ATOM 0 HB2 CYS A 26 19.501 -3.608 -16.760 1.00 0.00 H new ATOM 0 HB3 CYS A 26 19.905 -4.918 -15.668 1.00 0.00 H new ATOM 0 HG CYS A 26 21.518 -5.990 -17.454 1.00 0.00 H new ATOM 409 N TYR A 27 16.540 -3.448 -15.848 1.00 0.00 N ATOM 410 CA TYR A 27 15.548 -2.833 -14.985 1.00 0.00 C ATOM 411 C TYR A 27 14.394 -3.798 -14.744 1.00 0.00 C ATOM 412 O TYR A 27 13.808 -3.794 -13.668 1.00 0.00 O ATOM 413 CB TYR A 27 14.999 -1.628 -15.739 1.00 0.00 C ATOM 414 CG TYR A 27 15.920 -0.449 -15.924 1.00 0.00 C ATOM 415 CD1 TYR A 27 17.156 -0.370 -15.269 1.00 0.00 C ATOM 416 CD2 TYR A 27 15.508 0.591 -16.770 1.00 0.00 C ATOM 417 CE1 TYR A 27 17.976 0.753 -15.456 1.00 0.00 C ATOM 418 CE2 TYR A 27 16.317 1.713 -16.958 1.00 0.00 C ATOM 419 CZ TYR A 27 17.555 1.801 -16.299 1.00 0.00 C ATOM 420 OH TYR A 27 18.331 2.903 -16.476 1.00 0.00 O ATOM 0 H TYR A 27 16.695 -2.929 -16.712 1.00 0.00 H new ATOM 0 HA TYR A 27 15.994 -2.560 -14.029 1.00 0.00 H new ATOM 0 HB2 TYR A 27 14.680 -1.964 -16.725 1.00 0.00 H new ATOM 0 HB3 TYR A 27 14.108 -1.281 -15.217 1.00 0.00 H new ATOM 0 HD1 TYR A 27 17.477 -1.172 -14.621 1.00 0.00 H new ATOM 0 HD2 TYR A 27 14.558 0.523 -17.280 1.00 0.00 H new ATOM 0 HE1 TYR A 27 18.930 0.814 -14.954 1.00 0.00 H new ATOM 0 HE2 TYR A 27 15.992 2.512 -17.608 1.00 0.00 H new ATOM 0 HH TYR A 27 19.140 2.657 -16.971 1.00 0.00 H new ATOM 430 N ASP A 28 14.061 -4.627 -15.734 1.00 0.00 N ATOM 431 CA ASP A 28 12.944 -5.547 -15.648 1.00 0.00 C ATOM 432 C ASP A 28 13.195 -6.587 -14.560 1.00 0.00 C ATOM 433 O ASP A 28 12.244 -7.091 -13.960 1.00 0.00 O ATOM 434 CB ASP A 28 12.743 -6.208 -17.009 1.00 0.00 C ATOM 435 CG ASP A 28 11.486 -7.072 -17.022 1.00 0.00 C ATOM 436 OD1 ASP A 28 10.383 -6.483 -16.930 1.00 0.00 O ATOM 437 OD2 ASP A 28 11.637 -8.310 -17.121 1.00 0.00 O ATOM 0 H ASP A 28 14.566 -4.674 -16.619 1.00 0.00 H new ATOM 0 HA ASP A 28 12.037 -5.005 -15.379 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.669 -5.442 -17.781 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.611 -6.821 -17.250 1.00 0.00 H new ATOM 442 N GLN A 29 14.462 -6.914 -14.290 1.00 0.00 N ATOM 443 CA GLN A 29 14.778 -7.838 -13.219 1.00 0.00 C ATOM 444 C GLN A 29 14.630 -7.178 -11.849 1.00 0.00 C ATOM 445 O GLN A 29 14.599 -7.883 -10.844 1.00 0.00 O ATOM 446 CB GLN A 29 16.181 -8.414 -13.393 1.00 0.00 C ATOM 447 CG GLN A 29 16.236 -9.338 -14.610 1.00 0.00 C ATOM 448 CD GLN A 29 16.808 -8.645 -15.839 1.00 0.00 C ATOM 449 OE1 GLN A 29 18.018 -8.468 -15.942 1.00 0.00 O ATOM 450 NE2 GLN A 29 15.951 -8.249 -16.778 1.00 0.00 N ATOM 0 H GLN A 29 15.271 -6.553 -14.796 1.00 0.00 H new ATOM 0 HA GLN A 29 14.062 -8.658 -13.271 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.900 -7.604 -13.512 1.00 0.00 H new ATOM 0 HB3 GLN A 29 16.467 -8.966 -12.498 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.844 -10.211 -14.373 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.232 -9.699 -14.834 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.951 -8.413 -16.658 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.294 -7.782 -17.617 1.00 0.00 H new ATOM 459 N LEU A 30 14.537 -5.845 -11.783 1.00 0.00 N ATOM 460 CA LEU A 30 14.240 -5.174 -10.524 1.00 0.00 C ATOM 461 C LEU A 30 12.833 -5.549 -10.104 1.00 0.00 C ATOM 462 O LEU A 30 12.563 -5.743 -8.920 1.00 0.00 O ATOM 463 CB LEU A 30 14.285 -3.655 -10.699 1.00 0.00 C ATOM 464 CG LEU A 30 15.628 -3.121 -11.155 1.00 0.00 C ATOM 465 CD1 LEU A 30 15.664 -1.605 -11.011 1.00 0.00 C ATOM 466 CD2 LEU A 30 16.782 -3.709 -10.354 1.00 0.00 C ATOM 0 H LEU A 30 14.662 -5.220 -12.580 1.00 0.00 H new ATOM 0 HA LEU A 30 14.977 -5.476 -9.780 1.00 0.00 H new ATOM 0 HB2 LEU A 30 13.525 -3.361 -11.423 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.022 -3.184 -9.752 1.00 0.00 H new ATOM 0 HG LEU A 30 15.747 -3.412 -12.199 1.00 0.00 H new ATOM 0 HD11 LEU A 30 16.633 -1.231 -11.341 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.877 -1.163 -11.622 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.508 -1.335 -9.967 1.00 0.00 H new ATOM 0 HD21 LEU A 30 17.724 -3.297 -10.717 1.00 0.00 H new ATOM 0 HD22 LEU A 30 16.658 -3.459 -9.300 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.791 -4.793 -10.471 1.00 0.00 H new ATOM 478 N ILE A 31 11.929 -5.652 -11.082 1.00 0.00 N ATOM 479 CA ILE A 31 10.555 -5.996 -10.795 1.00 0.00 C ATOM 480 C ILE A 31 10.434 -7.499 -10.573 1.00 0.00 C ATOM 481 O ILE A 31 9.639 -7.948 -9.767 1.00 0.00 O ATOM 482 CB ILE A 31 9.650 -5.554 -11.944 1.00 0.00 C ATOM 483 CG1 ILE A 31 9.813 -4.072 -12.276 1.00 0.00 C ATOM 484 CG2 ILE A 31 8.232 -5.727 -11.445 1.00 0.00 C ATOM 485 CD1 ILE A 31 10.519 -3.894 -13.608 1.00 0.00 C ATOM 0 H ILE A 31 12.133 -5.501 -12.070 1.00 0.00 H new ATOM 0 HA ILE A 31 10.241 -5.479 -9.888 1.00 0.00 H new ATOM 0 HB ILE A 31 9.895 -6.136 -12.832 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.835 -3.592 -12.311 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.382 -3.578 -11.488 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.533 -5.426 -12.225 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.062 -6.773 -11.188 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.079 -5.107 -10.562 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.624 -2.831 -13.825 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.506 -4.354 -13.561 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.934 -4.369 -14.396 1.00 0.00 H new ATOM 497 N THR A 32 11.212 -8.315 -11.270 1.00 0.00 N ATOM 498 CA THR A 32 11.122 -9.748 -11.033 1.00 0.00 C ATOM 499 C THR A 32 11.796 -10.137 -9.718 1.00 0.00 C ATOM 500 O THR A 32 11.422 -11.142 -9.112 1.00 0.00 O ATOM 501 CB THR A 32 11.797 -10.456 -12.210 1.00 0.00 C ATOM 502 OG1 THR A 32 11.025 -10.271 -13.377 1.00 0.00 O ATOM 503 CG2 THR A 32 12.004 -11.948 -11.988 1.00 0.00 C ATOM 0 H THR A 32 11.887 -8.025 -11.977 1.00 0.00 H new ATOM 0 HA THR A 32 10.076 -10.044 -10.954 1.00 0.00 H new ATOM 0 HB THR A 32 12.785 -10.008 -12.312 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.458 -10.723 -14.131 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.487 -12.383 -12.863 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.634 -12.102 -11.112 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.039 -12.430 -11.830 1.00 0.00 H new ATOM 511 N ALA A 33 12.782 -9.359 -9.263 1.00 0.00 N ATOM 512 CA ALA A 33 13.439 -9.635 -8.001 1.00 0.00 C ATOM 513 C ALA A 33 12.684 -8.967 -6.853 1.00 0.00 C ATOM 514 O ALA A 33 12.724 -9.433 -5.716 1.00 0.00 O ATOM 515 CB ALA A 33 14.873 -9.101 -8.047 1.00 0.00 C ATOM 0 H ALA A 33 13.136 -8.538 -9.754 1.00 0.00 H new ATOM 0 HA ALA A 33 13.451 -10.712 -7.836 1.00 0.00 H new ATOM 0 HB1 ALA A 33 15.369 -9.308 -7.099 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.417 -9.590 -8.855 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.855 -8.025 -8.220 1.00 0.00 H new ATOM 521 N GLN A 34 11.995 -7.868 -7.167 1.00 0.00 N ATOM 522 CA GLN A 34 11.212 -7.105 -6.225 1.00 0.00 C ATOM 523 C GLN A 34 9.973 -6.552 -6.921 1.00 0.00 C ATOM 524 O GLN A 34 9.857 -5.360 -7.193 1.00 0.00 O ATOM 525 CB GLN A 34 12.122 -6.008 -5.708 1.00 0.00 C ATOM 526 CG GLN A 34 11.966 -5.724 -4.220 1.00 0.00 C ATOM 527 CD GLN A 34 13.079 -4.757 -3.851 1.00 0.00 C ATOM 528 OE1 GLN A 34 12.866 -3.753 -3.174 1.00 0.00 O ATOM 529 NE2 GLN A 34 14.282 -5.073 -4.323 1.00 0.00 N ATOM 0 H GLN A 34 11.973 -7.484 -8.112 1.00 0.00 H new ATOM 0 HA GLN A 34 10.854 -7.710 -5.392 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.157 -6.284 -5.908 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.923 -5.092 -6.265 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.989 -5.291 -4.007 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.041 -6.643 -3.639 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.405 -5.918 -4.880 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.081 -4.470 -4.128 1.00 0.00 H new ATOM 538 N PRO A 35 9.031 -7.444 -7.213 1.00 0.00 N ATOM 539 CA PRO A 35 7.834 -7.134 -7.985 1.00 0.00 C ATOM 540 C PRO A 35 6.908 -6.223 -7.215 1.00 0.00 C ATOM 541 O PRO A 35 5.939 -5.687 -7.744 1.00 0.00 O ATOM 542 CB PRO A 35 7.220 -8.483 -8.306 1.00 0.00 C ATOM 543 CG PRO A 35 7.979 -9.532 -7.494 1.00 0.00 C ATOM 544 CD PRO A 35 9.108 -8.820 -6.790 1.00 0.00 C ATOM 0 HA PRO A 35 8.052 -6.583 -8.900 1.00 0.00 H new ATOM 0 HB2 PRO A 35 6.160 -8.493 -8.052 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.294 -8.695 -9.373 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.318 -10.013 -6.773 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.365 -10.317 -8.145 1.00 0.00 H new ATOM 0 HD2 PRO A 35 9.007 -8.902 -5.708 1.00 0.00 H new ATOM 0 HD3 PRO A 35 10.071 -9.257 -7.055 1.00 0.00 H new ATOM 552 N GLN A 36 7.258 -6.067 -5.947 1.00 0.00 N ATOM 553 CA GLN A 36 6.669 -5.082 -5.059 1.00 0.00 C ATOM 554 C GLN A 36 7.650 -3.963 -4.708 1.00 0.00 C ATOM 555 O GLN A 36 7.847 -3.652 -3.534 1.00 0.00 O ATOM 556 CB GLN A 36 6.085 -5.729 -3.808 1.00 0.00 C ATOM 557 CG GLN A 36 5.161 -6.907 -4.115 1.00 0.00 C ATOM 558 CD GLN A 36 5.853 -8.210 -3.735 1.00 0.00 C ATOM 559 OE1 GLN A 36 5.558 -8.810 -2.704 1.00 0.00 O ATOM 560 NE2 GLN A 36 6.785 -8.649 -4.570 1.00 0.00 N ATOM 0 H GLN A 36 7.976 -6.636 -5.499 1.00 0.00 H new ATOM 0 HA GLN A 36 5.844 -4.621 -5.603 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.900 -6.071 -3.170 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.531 -4.979 -3.243 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.228 -6.804 -3.562 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.904 -6.915 -5.174 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.001 -8.122 -5.416 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.286 -9.514 -4.366 1.00 0.00 H new ATOM 569 N ASN A 37 8.264 -3.360 -5.729 1.00 0.00 N ATOM 570 CA ASN A 37 9.179 -2.245 -5.553 1.00 0.00 C ATOM 571 C ASN A 37 8.984 -1.230 -6.682 1.00 0.00 C ATOM 572 O ASN A 37 8.864 -1.619 -7.844 1.00 0.00 O ATOM 573 CB ASN A 37 10.611 -2.772 -5.504 1.00 0.00 C ATOM 574 CG ASN A 37 11.402 -2.341 -6.724 1.00 0.00 C ATOM 575 OD1 ASN A 37 12.060 -1.309 -6.716 1.00 0.00 O ATOM 576 ND2 ASN A 37 11.329 -3.140 -7.778 1.00 0.00 N ATOM 0 H ASN A 37 8.136 -3.637 -6.702 1.00 0.00 H new ATOM 0 HA ASN A 37 8.973 -1.734 -4.613 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.103 -2.408 -4.602 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.598 -3.860 -5.443 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.835 -2.905 -8.632 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.767 -3.990 -7.736 1.00 0.00 H new ATOM 583 N PRO A 38 8.947 0.065 -6.355 1.00 0.00 N ATOM 584 CA PRO A 38 8.759 1.147 -7.308 1.00 0.00 C ATOM 585 C PRO A 38 9.924 1.413 -8.249 1.00 0.00 C ATOM 586 O PRO A 38 9.674 1.546 -9.443 1.00 0.00 O ATOM 587 CB PRO A 38 8.607 2.390 -6.450 1.00 0.00 C ATOM 588 CG PRO A 38 8.332 1.911 -5.040 1.00 0.00 C ATOM 589 CD PRO A 38 9.045 0.575 -5.005 1.00 0.00 C ATOM 0 HA PRO A 38 7.916 0.882 -7.946 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.512 2.997 -6.484 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.791 3.014 -6.813 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.725 2.601 -4.293 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.264 1.807 -4.847 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.085 0.690 -4.701 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.578 -0.104 -4.291 1.00 0.00 H new ATOM 597 N VAL A 39 11.178 1.506 -7.777 1.00 0.00 N ATOM 598 CA VAL A 39 12.258 1.743 -8.736 1.00 0.00 C ATOM 599 C VAL A 39 12.291 0.740 -9.881 1.00 0.00 C ATOM 600 O VAL A 39 12.774 1.020 -10.975 1.00 0.00 O ATOM 601 CB VAL A 39 13.637 1.983 -8.147 1.00 0.00 C ATOM 602 CG1 VAL A 39 14.039 1.380 -6.832 1.00 0.00 C ATOM 603 CG2 VAL A 39 14.749 1.822 -9.178 1.00 0.00 C ATOM 0 H VAL A 39 11.455 1.426 -6.799 1.00 0.00 H new ATOM 0 HA VAL A 39 11.979 2.708 -9.160 1.00 0.00 H new ATOM 0 HB VAL A 39 13.498 3.023 -7.853 1.00 0.00 H new ATOM 0 HG11 VAL A 39 15.061 1.675 -6.594 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.368 1.733 -6.049 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.980 0.294 -6.897 1.00 0.00 H new ATOM 0 HG21 VAL A 39 15.714 2.004 -8.704 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.728 0.809 -9.580 1.00 0.00 H new ATOM 0 HG23 VAL A 39 14.601 2.537 -9.987 1.00 0.00 H new ATOM 613 N GLY A 40 11.757 -0.437 -9.612 1.00 0.00 N ATOM 614 CA GLY A 40 11.580 -1.444 -10.654 1.00 0.00 C ATOM 615 C GLY A 40 10.870 -0.797 -11.843 1.00 0.00 C ATOM 616 O GLY A 40 11.251 -0.987 -12.995 1.00 0.00 O ATOM 0 H GLY A 40 11.438 -0.723 -8.686 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.546 -1.843 -10.962 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.995 -2.282 -10.275 1.00 0.00 H new ATOM 620 N TYR A 41 9.832 -0.022 -11.544 1.00 0.00 N ATOM 621 CA TYR A 41 9.008 0.693 -12.493 1.00 0.00 C ATOM 622 C TYR A 41 9.458 2.140 -12.698 1.00 0.00 C ATOM 623 O TYR A 41 8.830 2.860 -13.468 1.00 0.00 O ATOM 624 CB TYR A 41 7.612 0.727 -11.893 1.00 0.00 C ATOM 625 CG TYR A 41 6.984 -0.625 -11.648 1.00 0.00 C ATOM 626 CD1 TYR A 41 6.327 -1.290 -12.690 1.00 0.00 C ATOM 627 CD2 TYR A 41 7.063 -1.207 -10.376 1.00 0.00 C ATOM 628 CE1 TYR A 41 5.746 -2.548 -12.467 1.00 0.00 C ATOM 629 CE2 TYR A 41 6.493 -2.469 -10.148 1.00 0.00 C ATOM 630 CZ TYR A 41 5.825 -3.139 -11.192 1.00 0.00 C ATOM 631 OH TYR A 41 5.255 -4.357 -10.967 1.00 0.00 O ATOM 0 H TYR A 41 9.533 0.127 -10.580 1.00 0.00 H new ATOM 0 HA TYR A 41 9.065 0.193 -13.460 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.653 1.267 -10.947 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.962 1.297 -12.557 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.267 -0.834 -13.667 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.562 -0.685 -9.572 1.00 0.00 H new ATOM 0 HE1 TYR A 41 5.240 -3.061 -13.271 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.566 -2.927 -9.172 1.00 0.00 H new ATOM 0 HH TYR A 41 5.403 -4.620 -10.035 1.00 0.00 H new ATOM 641 N SER A 42 10.523 2.599 -12.036 1.00 0.00 N ATOM 642 CA SER A 42 10.931 4.002 -12.120 1.00 0.00 C ATOM 643 C SER A 42 11.910 4.232 -13.262 1.00 0.00 C ATOM 644 O SER A 42 11.981 5.331 -13.811 1.00 0.00 O ATOM 645 CB SER A 42 11.619 4.422 -10.825 1.00 0.00 C ATOM 646 OG SER A 42 12.925 3.907 -10.794 1.00 0.00 O ATOM 0 H SER A 42 11.115 2.022 -11.439 1.00 0.00 H new ATOM 0 HA SER A 42 10.030 4.590 -12.292 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.645 5.509 -10.752 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.054 4.058 -9.967 1.00 0.00 H new ATOM 0 HG SER A 42 12.905 2.952 -11.012 1.00 0.00 H new ATOM 652 N ASN A 43 12.665 3.194 -13.623 1.00 0.00 N ATOM 653 CA ASN A 43 13.692 3.289 -14.640 1.00 0.00 C ATOM 654 C ASN A 43 13.249 2.559 -15.913 1.00 0.00 C ATOM 655 O ASN A 43 13.511 3.038 -17.018 1.00 0.00 O ATOM 656 CB ASN A 43 15.007 2.780 -14.055 1.00 0.00 C ATOM 657 CG ASN A 43 14.932 1.404 -13.409 1.00 0.00 C ATOM 658 OD1 ASN A 43 13.986 0.649 -13.603 1.00 0.00 O ATOM 659 ND2 ASN A 43 15.953 1.074 -12.623 1.00 0.00 N ATOM 0 H ASN A 43 12.575 2.265 -13.212 1.00 0.00 H new ATOM 0 HA ASN A 43 13.854 4.324 -14.941 1.00 0.00 H new ATOM 0 HB2 ASN A 43 15.754 2.752 -14.848 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.358 3.496 -13.311 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.966 0.166 -12.158 1.00 0.00 H new ATOM 0 HD22 ASN A 43 16.723 1.729 -12.485 1.00 0.00 H new ATOM 666 N LYS A 44 12.573 1.411 -15.770 1.00 0.00 N ATOM 667 CA LYS A 44 11.876 0.753 -16.871 1.00 0.00 C ATOM 668 C LYS A 44 10.853 1.742 -17.433 1.00 0.00 C ATOM 669 O LYS A 44 10.498 1.651 -18.603 1.00 0.00 O ATOM 670 CB LYS A 44 11.194 -0.504 -16.323 1.00 0.00 C ATOM 671 CG LYS A 44 10.426 -1.248 -17.414 1.00 0.00 C ATOM 672 CD LYS A 44 9.867 -2.560 -16.862 1.00 0.00 C ATOM 673 CE LYS A 44 9.051 -3.269 -17.943 1.00 0.00 C ATOM 674 NZ LYS A 44 8.487 -4.533 -17.438 1.00 0.00 N ATOM 0 H LYS A 44 12.497 0.915 -14.882 1.00 0.00 H new ATOM 0 HA LYS A 44 12.558 0.457 -17.668 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.944 -1.166 -15.889 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.510 -0.227 -15.520 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.613 -0.625 -17.786 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.084 -1.451 -18.259 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.682 -3.202 -16.529 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.241 -2.362 -15.992 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.245 -2.617 -18.281 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.683 -3.469 -18.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.732 -4.856 -18.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.235 -5.254 -17.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.095 -4.382 -16.487 1.00 0.00 H new ATOM 688 N ALA A 45 10.377 2.689 -16.610 1.00 0.00 N ATOM 689 CA ALA A 45 9.446 3.701 -17.096 1.00 0.00 C ATOM 690 C ALA A 45 10.171 4.849 -17.787 1.00 0.00 C ATOM 691 O ALA A 45 9.834 5.187 -18.918 1.00 0.00 O ATOM 692 CB ALA A 45 8.626 4.264 -15.940 1.00 0.00 C ATOM 0 H ALA A 45 10.620 2.770 -15.623 1.00 0.00 H new ATOM 0 HA ALA A 45 8.792 3.214 -17.820 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.935 5.018 -16.317 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.062 3.459 -15.468 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.294 4.717 -15.207 1.00 0.00 H new ATOM 698 N MET A 46 11.162 5.452 -17.123 1.00 0.00 N ATOM 699 CA MET A 46 11.916 6.552 -17.708 1.00 0.00 C ATOM 700 C MET A 46 12.464 6.186 -19.085 1.00 0.00 C ATOM 701 O MET A 46 12.536 7.035 -19.971 1.00 0.00 O ATOM 702 CB MET A 46 13.058 6.934 -16.768 1.00 0.00 C ATOM 703 CG MET A 46 13.898 8.098 -17.296 1.00 0.00 C ATOM 704 SD MET A 46 13.228 9.778 -17.113 1.00 0.00 S ATOM 705 CE MET A 46 11.866 9.812 -18.312 1.00 0.00 C ATOM 0 H MET A 46 11.456 5.193 -16.181 1.00 0.00 H new ATOM 0 HA MET A 46 11.245 7.401 -17.839 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.647 7.201 -15.795 1.00 0.00 H new ATOM 0 HB3 MET A 46 13.702 6.068 -16.615 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.866 8.067 -16.795 1.00 0.00 H new ATOM 0 HG3 MET A 46 14.082 7.924 -18.356 1.00 0.00 H new ATOM 0 HE1 MET A 46 11.689 10.839 -18.632 1.00 0.00 H new ATOM 0 HE2 MET A 46 12.127 9.202 -19.177 1.00 0.00 H new ATOM 0 HE3 MET A 46 10.963 9.415 -17.848 1.00 0.00 H new ATOM 715 N ALA A 47 12.847 4.924 -19.269 1.00 0.00 N ATOM 716 CA ALA A 47 13.337 4.468 -20.555 1.00 0.00 C ATOM 717 C ALA A 47 12.207 4.437 -21.581 1.00 0.00 C ATOM 718 O ALA A 47 12.419 4.801 -22.732 1.00 0.00 O ATOM 719 CB ALA A 47 13.928 3.081 -20.366 1.00 0.00 C ATOM 0 H ALA A 47 12.825 4.207 -18.544 1.00 0.00 H new ATOM 0 HA ALA A 47 14.099 5.152 -20.930 1.00 0.00 H new ATOM 0 HB1 ALA A 47 14.305 2.713 -21.320 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.746 3.129 -19.647 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.158 2.405 -19.995 1.00 0.00 H new ATOM 725 N LEU A 48 11.006 4.008 -21.178 1.00 0.00 N ATOM 726 CA LEU A 48 9.861 3.981 -22.073 1.00 0.00 C ATOM 727 C LEU A 48 9.491 5.386 -22.546 1.00 0.00 C ATOM 728 O LEU A 48 8.909 5.527 -23.615 1.00 0.00 O ATOM 729 CB LEU A 48 8.665 3.320 -21.382 1.00 0.00 C ATOM 730 CG LEU A 48 8.831 1.803 -21.261 1.00 0.00 C ATOM 731 CD1 LEU A 48 7.709 1.261 -20.381 1.00 0.00 C ATOM 732 CD2 LEU A 48 8.719 1.119 -22.622 1.00 0.00 C ATOM 0 H LEU A 48 10.809 3.675 -20.234 1.00 0.00 H new ATOM 0 HA LEU A 48 10.134 3.394 -22.950 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.539 3.750 -20.388 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.757 3.541 -21.943 1.00 0.00 H new ATOM 0 HG LEU A 48 9.816 1.601 -20.839 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.812 0.180 -20.284 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.766 1.721 -19.394 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.746 1.494 -20.835 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.842 0.043 -22.500 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.740 1.326 -23.054 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.496 1.499 -23.285 1.00 0.00 H new ATOM 744 N ILE A 49 9.815 6.434 -21.783 1.00 0.00 N ATOM 745 CA ILE A 49 9.592 7.796 -22.254 1.00 0.00 C ATOM 746 C ILE A 49 10.594 8.110 -23.357 1.00 0.00 C ATOM 747 O ILE A 49 10.218 8.621 -24.408 1.00 0.00 O ATOM 748 CB ILE A 49 9.783 8.788 -21.095 1.00 0.00 C ATOM 749 CG1 ILE A 49 8.537 8.926 -20.215 1.00 0.00 C ATOM 750 CG2 ILE A 49 10.136 10.173 -21.642 1.00 0.00 C ATOM 751 CD1 ILE A 49 8.396 7.758 -19.245 1.00 0.00 C ATOM 0 H ILE A 49 10.226 6.364 -20.852 1.00 0.00 H new ATOM 0 HA ILE A 49 8.576 7.886 -22.637 1.00 0.00 H new ATOM 0 HB ILE A 49 10.591 8.388 -20.482 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.590 9.859 -19.655 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.650 8.983 -20.847 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.269 10.868 -20.813 1.00 0.00 H new ATOM 0 HG22 ILE A 49 11.060 10.112 -22.217 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.330 10.526 -22.286 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.500 7.894 -18.639 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.317 6.827 -19.806 1.00 0.00 H new ATOM 0 HD13 ILE A 49 9.270 7.717 -18.595 1.00 0.00 H new ATOM 763 N LYS A 50 11.871 7.800 -23.115 1.00 0.00 N ATOM 764 CA LYS A 50 12.914 7.998 -24.099 1.00 0.00 C ATOM 765 C LYS A 50 12.762 7.067 -25.308 1.00 0.00 C ATOM 766 O LYS A 50 13.434 7.259 -26.320 1.00 0.00 O ATOM 767 CB LYS A 50 14.249 7.786 -23.400 1.00 0.00 C ATOM 768 CG LYS A 50 15.003 9.110 -23.335 1.00 0.00 C ATOM 769 CD LYS A 50 14.301 10.118 -22.426 1.00 0.00 C ATOM 770 CE LYS A 50 14.464 9.712 -20.965 1.00 0.00 C ATOM 771 NZ LYS A 50 14.279 10.876 -20.073 1.00 0.00 N ATOM 0 H LYS A 50 12.199 7.407 -22.233 1.00 0.00 H new ATOM 0 HA LYS A 50 12.848 9.009 -24.501 1.00 0.00 H new ATOM 0 HB2 LYS A 50 14.088 7.397 -22.395 1.00 0.00 H new ATOM 0 HB3 LYS A 50 14.840 7.044 -23.938 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.015 8.935 -22.970 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.094 9.527 -24.338 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.718 11.113 -22.583 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.242 10.172 -22.680 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.739 8.938 -20.715 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.454 9.283 -20.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.276 10.558 -19.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.057 11.551 -20.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.374 11.339 -20.290 1.00 0.00 H new ATOM 785 N LEU A 51 11.880 6.066 -25.213 1.00 0.00 N ATOM 786 CA LEU A 51 11.522 5.183 -26.309 1.00 0.00 C ATOM 787 C LEU A 51 10.207 5.676 -26.907 1.00 0.00 C ATOM 788 O LEU A 51 9.809 5.256 -27.992 1.00 0.00 O ATOM 789 CB LEU A 51 11.344 3.768 -25.764 1.00 0.00 C ATOM 790 CG LEU A 51 12.665 3.115 -25.348 1.00 0.00 C ATOM 791 CD1 LEU A 51 12.379 1.828 -24.581 1.00 0.00 C ATOM 792 CD2 LEU A 51 13.528 2.768 -26.560 1.00 0.00 C ATOM 0 H LEU A 51 11.388 5.849 -24.347 1.00 0.00 H new ATOM 0 HA LEU A 51 12.299 5.179 -27.074 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.674 3.797 -24.905 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.863 3.150 -26.523 1.00 0.00 H new ATOM 0 HG LEU A 51 13.203 3.829 -24.725 1.00 0.00 H new ATOM 0 HD11 LEU A 51 13.320 1.364 -24.285 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.792 2.057 -23.692 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.820 1.142 -25.217 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.457 2.307 -26.225 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.989 2.073 -27.203 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.755 3.677 -27.117 1.00 0.00 H new ATOM 804 N GLY A 52 9.536 6.573 -26.177 1.00 0.00 N ATOM 805 CA GLY A 52 8.253 7.145 -26.531 1.00 0.00 C ATOM 806 C GLY A 52 7.146 6.094 -26.469 1.00 0.00 C ATOM 807 O GLY A 52 6.074 6.267 -27.048 1.00 0.00 O ATOM 0 H GLY A 52 9.894 6.928 -25.290 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.018 7.966 -25.853 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.304 7.566 -27.535 1.00 0.00 H new ATOM 811 N GLU A 53 7.428 5.007 -25.752 1.00 0.00 N ATOM 812 CA GLU A 53 6.504 3.928 -25.462 1.00 0.00 C ATOM 813 C GLU A 53 5.762 4.273 -24.191 1.00 0.00 C ATOM 814 O GLU A 53 5.635 3.493 -23.247 1.00 0.00 O ATOM 815 CB GLU A 53 7.274 2.614 -25.386 1.00 0.00 C ATOM 816 CG GLU A 53 7.853 2.250 -26.753 1.00 0.00 C ATOM 817 CD GLU A 53 6.812 1.609 -27.672 1.00 0.00 C ATOM 818 OE1 GLU A 53 5.679 2.138 -27.740 1.00 0.00 O ATOM 819 OE2 GLU A 53 7.159 0.587 -28.306 1.00 0.00 O ATOM 0 H GLU A 53 8.350 4.854 -25.342 1.00 0.00 H new ATOM 0 HA GLU A 53 5.761 3.802 -26.250 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.078 2.699 -24.655 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.613 1.818 -25.041 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.250 3.147 -27.228 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.689 1.563 -26.620 1.00 0.00 H new ATOM 826 N TYR A 54 5.274 5.505 -24.222 1.00 0.00 N ATOM 827 CA TYR A 54 4.541 6.122 -23.160 1.00 0.00 C ATOM 828 C TYR A 54 3.374 5.276 -22.674 1.00 0.00 C ATOM 829 O TYR A 54 3.038 5.346 -21.497 1.00 0.00 O ATOM 830 CB TYR A 54 3.987 7.400 -23.744 1.00 0.00 C ATOM 831 CG TYR A 54 5.006 8.368 -24.302 1.00 0.00 C ATOM 832 CD1 TYR A 54 6.067 8.820 -23.505 1.00 0.00 C ATOM 833 CD2 TYR A 54 4.897 8.805 -25.631 1.00 0.00 C ATOM 834 CE1 TYR A 54 7.000 9.722 -24.032 1.00 0.00 C ATOM 835 CE2 TYR A 54 5.841 9.688 -26.173 1.00 0.00 C ATOM 836 CZ TYR A 54 6.894 10.160 -25.368 1.00 0.00 C ATOM 837 OH TYR A 54 7.808 11.033 -25.878 1.00 0.00 O ATOM 0 H TYR A 54 5.391 6.117 -25.030 1.00 0.00 H new ATOM 0 HA TYR A 54 5.198 6.272 -22.304 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.288 7.140 -24.539 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.414 7.912 -22.971 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.165 8.473 -22.487 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.077 8.457 -26.242 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.806 10.084 -23.411 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.761 10.004 -27.203 1.00 0.00 H new ATOM 0 HH TYR A 54 7.587 11.229 -26.812 1.00 0.00 H new ATOM 847 N THR A 55 2.744 4.479 -23.546 1.00 0.00 N ATOM 848 CA THR A 55 1.543 3.756 -23.144 1.00 0.00 C ATOM 849 C THR A 55 1.844 2.910 -21.928 1.00 0.00 C ATOM 850 O THR A 55 0.994 2.680 -21.074 1.00 0.00 O ATOM 851 CB THR A 55 1.073 2.801 -24.239 1.00 0.00 C ATOM 852 OG1 THR A 55 1.234 3.374 -25.516 1.00 0.00 O ATOM 853 CG2 THR A 55 -0.382 2.477 -23.984 1.00 0.00 C ATOM 0 H THR A 55 3.040 4.324 -24.510 1.00 0.00 H new ATOM 0 HA THR A 55 0.772 4.499 -22.941 1.00 0.00 H new ATOM 0 HB THR A 55 1.674 1.892 -24.216 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.927 2.742 -26.199 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.743 1.795 -24.754 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.484 2.007 -23.006 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.969 3.395 -24.008 1.00 0.00 H new ATOM 861 N GLN A 56 3.093 2.459 -21.893 1.00 0.00 N ATOM 862 CA GLN A 56 3.596 1.459 -20.993 1.00 0.00 C ATOM 863 C GLN A 56 4.297 2.146 -19.844 1.00 0.00 C ATOM 864 O GLN A 56 4.267 1.678 -18.715 1.00 0.00 O ATOM 865 CB GLN A 56 4.528 0.612 -21.851 1.00 0.00 C ATOM 866 CG GLN A 56 3.688 0.168 -23.049 1.00 0.00 C ATOM 867 CD GLN A 56 4.227 0.636 -24.384 1.00 0.00 C ATOM 868 OE1 GLN A 56 4.981 -0.058 -25.055 1.00 0.00 O ATOM 869 NE2 GLN A 56 3.816 1.836 -24.757 1.00 0.00 N ATOM 0 H GLN A 56 3.810 2.807 -22.530 1.00 0.00 H new ATOM 0 HA GLN A 56 2.830 0.830 -20.539 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.397 1.187 -22.172 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.902 -0.247 -21.294 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.627 -0.920 -23.054 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.672 0.543 -22.927 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.187 2.369 -24.156 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.128 2.229 -25.645 1.00 0.00 H new ATOM 878 N ALA A 57 4.925 3.275 -20.166 1.00 0.00 N ATOM 879 CA ALA A 57 5.476 4.174 -19.174 1.00 0.00 C ATOM 880 C ALA A 57 4.403 4.590 -18.171 1.00 0.00 C ATOM 881 O ALA A 57 4.653 4.645 -16.970 1.00 0.00 O ATOM 882 CB ALA A 57 5.993 5.413 -19.897 1.00 0.00 C ATOM 0 H ALA A 57 5.063 3.586 -21.128 1.00 0.00 H new ATOM 0 HA ALA A 57 6.279 3.674 -18.632 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.414 6.108 -19.171 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.764 5.123 -20.611 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.171 5.895 -20.426 1.00 0.00 H new ATOM 888 N ILE A 58 3.199 4.885 -18.671 1.00 0.00 N ATOM 889 CA ILE A 58 2.066 5.244 -17.834 1.00 0.00 C ATOM 890 C ILE A 58 1.714 4.051 -16.949 1.00 0.00 C ATOM 891 O ILE A 58 1.370 4.231 -15.782 1.00 0.00 O ATOM 892 CB ILE A 58 0.876 5.597 -18.735 1.00 0.00 C ATOM 893 CG1 ILE A 58 1.228 6.770 -19.647 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.371 5.998 -17.949 1.00 0.00 C ATOM 895 CD1 ILE A 58 0.394 6.684 -20.921 1.00 0.00 C ATOM 0 H ILE A 58 2.989 4.880 -19.669 1.00 0.00 H new ATOM 0 HA ILE A 58 2.310 6.102 -17.207 1.00 0.00 H new ATOM 0 HB ILE A 58 0.661 4.693 -19.305 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.036 7.713 -19.136 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.290 6.750 -19.891 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.177 6.236 -18.643 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.677 5.173 -17.306 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.150 6.872 -17.337 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.642 7.520 -21.575 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.608 5.746 -21.433 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.665 6.725 -20.666 1.00 0.00 H new ATOM 907 N GLN A 59 1.803 2.831 -17.498 1.00 0.00 N ATOM 908 CA GLN A 59 1.460 1.639 -16.741 1.00 0.00 C ATOM 909 C GLN A 59 2.487 1.357 -15.655 1.00 0.00 C ATOM 910 O GLN A 59 2.142 0.893 -14.571 1.00 0.00 O ATOM 911 CB GLN A 59 1.402 0.447 -17.682 1.00 0.00 C ATOM 912 CG GLN A 59 0.473 0.740 -18.851 1.00 0.00 C ATOM 913 CD GLN A 59 -0.565 -0.346 -19.105 1.00 0.00 C ATOM 914 OE1 GLN A 59 -1.136 -0.914 -18.178 1.00 0.00 O ATOM 915 NE2 GLN A 59 -0.813 -0.643 -20.379 1.00 0.00 N ATOM 0 H GLN A 59 2.108 2.654 -18.455 1.00 0.00 H new ATOM 0 HA GLN A 59 0.492 1.805 -16.268 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.402 0.218 -18.052 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.052 -0.434 -17.143 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.041 1.683 -18.666 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.071 0.874 -19.752 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.319 -0.150 -21.123 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -1.497 -1.363 -20.611 1.00 0.00 H new ATOM 924 N MET A 60 3.756 1.638 -15.946 1.00 0.00 N ATOM 925 CA MET A 60 4.837 1.441 -14.986 1.00 0.00 C ATOM 926 C MET A 60 4.647 2.350 -13.779 1.00 0.00 C ATOM 927 O MET A 60 4.729 1.905 -12.639 1.00 0.00 O ATOM 928 CB MET A 60 6.195 1.762 -15.613 1.00 0.00 C ATOM 929 CG MET A 60 6.661 0.845 -16.746 1.00 0.00 C ATOM 930 SD MET A 60 6.537 -0.935 -16.446 1.00 0.00 S ATOM 931 CE MET A 60 4.866 -1.205 -17.092 1.00 0.00 C ATOM 0 H MET A 60 4.061 2.006 -16.847 1.00 0.00 H new ATOM 0 HA MET A 60 4.812 0.395 -14.680 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.162 2.783 -15.993 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.948 1.739 -14.825 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.080 1.082 -17.638 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.701 1.082 -16.971 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.750 -2.251 -17.376 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.134 -0.954 -16.324 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.707 -0.572 -17.965 1.00 0.00 H new ATOM 941 N CYS A 61 4.392 3.636 -14.028 1.00 0.00 N ATOM 942 CA CYS A 61 4.380 4.617 -12.964 1.00 0.00 C ATOM 943 C CYS A 61 3.249 4.344 -11.969 1.00 0.00 C ATOM 944 O CYS A 61 3.480 4.214 -10.772 1.00 0.00 O ATOM 945 CB CYS A 61 4.241 5.995 -13.586 1.00 0.00 C ATOM 946 SG CYS A 61 5.720 6.354 -14.566 1.00 0.00 S ATOM 0 H CYS A 61 4.193 4.012 -14.955 1.00 0.00 H new ATOM 0 HA CYS A 61 5.312 4.559 -12.403 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.353 6.035 -14.217 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.114 6.748 -12.808 1.00 0.00 H new ATOM 0 HG CYS A 61 5.620 5.781 -15.728 1.00 0.00 H new ATOM 952 N GLN A 62 2.014 4.252 -12.454 1.00 0.00 N ATOM 953 CA GLN A 62 0.884 3.927 -11.596 1.00 0.00 C ATOM 954 C GLN A 62 1.079 2.613 -10.825 1.00 0.00 C ATOM 955 O GLN A 62 0.531 2.464 -9.735 1.00 0.00 O ATOM 956 CB GLN A 62 -0.401 3.937 -12.420 1.00 0.00 C ATOM 957 CG GLN A 62 -0.363 2.943 -13.585 1.00 0.00 C ATOM 958 CD GLN A 62 -1.208 1.702 -13.324 1.00 0.00 C ATOM 959 OE1 GLN A 62 -1.859 1.182 -14.227 1.00 0.00 O ATOM 960 NE2 GLN A 62 -1.221 1.207 -12.092 1.00 0.00 N ATOM 0 H GLN A 62 1.773 4.398 -13.434 1.00 0.00 H new ATOM 0 HA GLN A 62 0.809 4.695 -10.826 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.245 3.700 -11.772 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.570 4.941 -12.809 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.718 3.436 -14.490 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.669 2.643 -13.769 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.673 1.654 -11.357 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.779 0.380 -11.881 1.00 0.00 H new ATOM 969 N GLN A 63 1.847 1.657 -11.362 1.00 0.00 N ATOM 970 CA GLN A 63 2.216 0.441 -10.643 1.00 0.00 C ATOM 971 C GLN A 63 3.197 0.737 -9.519 1.00 0.00 C ATOM 972 O GLN A 63 3.029 0.216 -8.424 1.00 0.00 O ATOM 973 CB GLN A 63 2.874 -0.537 -11.623 1.00 0.00 C ATOM 974 CG GLN A 63 2.044 -1.802 -11.842 1.00 0.00 C ATOM 975 CD GLN A 63 0.615 -1.511 -12.279 1.00 0.00 C ATOM 976 OE1 GLN A 63 -0.334 -1.774 -11.548 1.00 0.00 O ATOM 977 NE2 GLN A 63 0.439 -0.968 -13.477 1.00 0.00 N ATOM 0 H GLN A 63 2.228 1.709 -12.307 1.00 0.00 H new ATOM 0 HA GLN A 63 1.312 0.012 -10.211 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.027 -0.038 -12.580 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.859 -0.814 -11.247 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.529 -2.422 -12.596 1.00 0.00 H new ATOM 0 HG3 GLN A 63 2.024 -2.381 -10.919 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.245 -0.759 -14.066 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.503 -0.760 -13.809 1.00 0.00 H new ATOM 986 N GLY A 64 4.219 1.559 -9.757 1.00 0.00 N ATOM 987 CA GLY A 64 5.175 1.894 -8.716 1.00 0.00 C ATOM 988 C GLY A 64 4.472 2.361 -7.439 1.00 0.00 C ATOM 989 O GLY A 64 4.924 2.052 -6.338 1.00 0.00 O ATOM 0 H GLY A 64 4.401 2.000 -10.658 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.794 1.024 -8.495 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.843 2.678 -9.072 1.00 0.00 H new ATOM 993 N LEU A 65 3.368 3.100 -7.585 1.00 0.00 N ATOM 994 CA LEU A 65 2.600 3.658 -6.472 1.00 0.00 C ATOM 995 C LEU A 65 1.874 2.601 -5.640 1.00 0.00 C ATOM 996 O LEU A 65 1.205 2.939 -4.664 1.00 0.00 O ATOM 997 CB LEU A 65 1.575 4.649 -7.026 1.00 0.00 C ATOM 998 CG LEU A 65 2.267 5.797 -7.754 1.00 0.00 C ATOM 999 CD1 LEU A 65 1.228 6.570 -8.561 1.00 0.00 C ATOM 1000 CD2 LEU A 65 2.956 6.745 -6.769 1.00 0.00 C ATOM 0 H LEU A 65 2.977 3.331 -8.498 1.00 0.00 H new ATOM 0 HA LEU A 65 3.312 4.146 -5.807 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.898 4.135 -7.709 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.967 5.043 -6.212 1.00 0.00 H new ATOM 0 HG LEU A 65 3.029 5.381 -8.413 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.713 7.393 -9.085 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.761 5.903 -9.286 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.467 6.966 -7.889 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.440 7.552 -7.319 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.215 7.163 -6.088 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.704 6.195 -6.198 1.00 0.00 H new ATOM 1012 N ARG A 66 1.992 1.323 -6.005 1.00 0.00 N ATOM 1013 CA ARG A 66 1.356 0.228 -5.294 1.00 0.00 C ATOM 1014 C ARG A 66 2.236 -0.170 -4.126 1.00 0.00 C ATOM 1015 O ARG A 66 1.808 -0.852 -3.197 1.00 0.00 O ATOM 1016 CB ARG A 66 1.291 -0.928 -6.282 1.00 0.00 C ATOM 1017 CG ARG A 66 0.374 -0.574 -7.440 1.00 0.00 C ATOM 1018 CD ARG A 66 0.380 -1.728 -8.432 1.00 0.00 C ATOM 1019 NE ARG A 66 -0.164 -2.958 -7.835 1.00 0.00 N ATOM 1020 CZ ARG A 66 -0.879 -3.878 -8.489 1.00 0.00 C ATOM 1021 NH1 ARG A 66 -1.163 -3.738 -9.779 1.00 0.00 N ATOM 1022 NH2 ARG A 66 -1.320 -4.955 -7.843 1.00 0.00 N ATOM 0 H ARG A 66 2.539 1.023 -6.812 1.00 0.00 H new ATOM 0 HA ARG A 66 0.368 0.499 -4.921 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.290 -1.154 -6.655 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.927 -1.825 -5.781 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.638 -0.390 -7.079 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.711 0.343 -7.924 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.208 -1.458 -9.309 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.399 -1.909 -8.775 1.00 0.00 H new ATOM 0 HE ARG A 66 0.019 -3.121 -6.845 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.834 -2.917 -10.288 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.710 -4.451 -10.261 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.112 -5.076 -6.852 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.866 -5.659 -8.339 1.00 0.00 H new ATOM 1036 N TYR A 67 3.484 0.287 -4.214 1.00 0.00 N ATOM 1037 CA TYR A 67 4.552 -0.091 -3.313 1.00 0.00 C ATOM 1038 C TYR A 67 5.159 1.068 -2.519 1.00 0.00 C ATOM 1039 O TYR A 67 5.930 0.825 -1.594 1.00 0.00 O ATOM 1040 CB TYR A 67 5.611 -0.726 -4.200 1.00 0.00 C ATOM 1041 CG TYR A 67 5.016 -1.605 -5.267 1.00 0.00 C ATOM 1042 CD1 TYR A 67 4.354 -2.788 -4.910 1.00 0.00 C ATOM 1043 CD2 TYR A 67 5.106 -1.215 -6.612 1.00 0.00 C ATOM 1044 CE1 TYR A 67 3.794 -3.604 -5.898 1.00 0.00 C ATOM 1045 CE2 TYR A 67 4.507 -2.008 -7.601 1.00 0.00 C ATOM 1046 CZ TYR A 67 3.859 -3.212 -7.251 1.00 0.00 C ATOM 1047 OH TYR A 67 3.292 -3.991 -8.213 1.00 0.00 O ATOM 0 H TYR A 67 3.780 0.946 -4.934 1.00 0.00 H new ATOM 0 HA TYR A 67 4.157 -0.760 -2.548 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.205 0.058 -4.669 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.290 -1.316 -3.584 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.276 -3.070 -3.870 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.632 -0.312 -6.883 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.313 -4.532 -5.626 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.542 -1.696 -8.634 1.00 0.00 H new ATOM 0 HH TYR A 67 3.870 -4.762 -8.392 1.00 0.00 H new ATOM 1057 N THR A 68 4.824 2.319 -2.855 1.00 0.00 N ATOM 1058 CA THR A 68 5.417 3.497 -2.219 1.00 0.00 C ATOM 1059 C THR A 68 4.866 3.759 -0.813 1.00 0.00 C ATOM 1060 O THR A 68 4.915 4.888 -0.330 1.00 0.00 O ATOM 1061 CB THR A 68 5.234 4.720 -3.118 1.00 0.00 C ATOM 1062 OG1 THR A 68 3.873 4.901 -3.439 1.00 0.00 O ATOM 1063 CG2 THR A 68 6.024 4.549 -4.411 1.00 0.00 C ATOM 0 H THR A 68 4.136 2.541 -3.574 1.00 0.00 H new ATOM 0 HA THR A 68 6.481 3.297 -2.093 1.00 0.00 H new ATOM 0 HB THR A 68 5.598 5.592 -2.575 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.774 5.689 -4.013 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.884 5.427 -5.041 1.00 0.00 H new ATOM 0 HG22 THR A 68 7.083 4.434 -4.178 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.670 3.663 -4.939 1.00 0.00 H new ATOM 1071 N SER A 69 4.339 2.724 -0.151 1.00 0.00 N ATOM 1072 CA SER A 69 3.777 2.810 1.192 1.00 0.00 C ATOM 1073 C SER A 69 4.811 3.125 2.278 1.00 0.00 C ATOM 1074 O SER A 69 4.477 3.130 3.462 1.00 0.00 O ATOM 1075 CB SER A 69 3.114 1.478 1.528 1.00 0.00 C ATOM 1076 OG SER A 69 2.038 1.234 0.648 1.00 0.00 O ATOM 0 H SER A 69 4.292 1.785 -0.546 1.00 0.00 H new ATOM 0 HA SER A 69 3.066 3.636 1.183 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.844 0.671 1.455 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.756 1.491 2.557 1.00 0.00 H new ATOM 0 HG SER A 69 1.621 0.376 0.871 1.00 0.00 H new ATOM 1082 N THR A 70 6.061 3.388 1.891 1.00 0.00 N ATOM 1083 CA THR A 70 7.152 3.626 2.827 1.00 0.00 C ATOM 1084 C THR A 70 8.072 4.747 2.348 1.00 0.00 C ATOM 1085 O THR A 70 8.096 5.085 1.166 1.00 0.00 O ATOM 1086 CB THR A 70 7.920 2.317 3.036 1.00 0.00 C ATOM 1087 OG1 THR A 70 9.058 2.541 3.837 1.00 0.00 O ATOM 1088 CG2 THR A 70 8.360 1.701 1.705 1.00 0.00 C ATOM 0 H THR A 70 6.342 3.441 0.912 1.00 0.00 H new ATOM 0 HA THR A 70 6.739 3.956 3.780 1.00 0.00 H new ATOM 0 HB THR A 70 7.245 1.621 3.534 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.539 1.697 3.965 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.902 0.774 1.894 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.482 1.490 1.094 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.010 2.400 1.178 1.00 0.00 H new ATOM 1096 N ALA A 71 8.839 5.329 3.278 1.00 0.00 N ATOM 1097 CA ALA A 71 9.677 6.490 3.013 1.00 0.00 C ATOM 1098 C ALA A 71 10.979 6.159 2.278 1.00 0.00 C ATOM 1099 O ALA A 71 11.723 7.071 1.929 1.00 0.00 O ATOM 1100 CB ALA A 71 9.973 7.200 4.332 1.00 0.00 C ATOM 0 H ALA A 71 8.891 4.999 4.242 1.00 0.00 H new ATOM 0 HA ALA A 71 9.120 7.142 2.340 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.600 8.071 4.143 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.037 7.519 4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.493 6.517 5.004 1.00 0.00 H new ATOM 1106 N GLU A 72 11.279 4.880 2.028 1.00 0.00 N ATOM 1107 CA GLU A 72 12.388 4.527 1.153 1.00 0.00 C ATOM 1108 C GLU A 72 11.959 4.649 -0.303 1.00 0.00 C ATOM 1109 O GLU A 72 12.789 4.565 -1.209 1.00 0.00 O ATOM 1110 CB GLU A 72 12.838 3.092 1.413 1.00 0.00 C ATOM 1111 CG GLU A 72 11.688 2.095 1.309 1.00 0.00 C ATOM 1112 CD GLU A 72 12.141 0.689 1.689 1.00 0.00 C ATOM 1113 OE1 GLU A 72 12.782 0.035 0.835 1.00 0.00 O ATOM 1114 OE2 GLU A 72 11.843 0.273 2.832 1.00 0.00 O ATOM 0 H GLU A 72 10.773 4.085 2.417 1.00 0.00 H new ATOM 0 HA GLU A 72 13.214 5.209 1.357 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.615 2.822 0.698 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.283 3.028 2.406 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.873 2.406 1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.297 2.091 0.291 1.00 0.00 H new ATOM 1121 N HIS A 73 10.658 4.849 -0.526 1.00 0.00 N ATOM 1122 CA HIS A 73 10.065 4.838 -1.849 1.00 0.00 C ATOM 1123 C HIS A 73 9.449 6.185 -2.212 1.00 0.00 C ATOM 1124 O HIS A 73 8.931 6.352 -3.317 1.00 0.00 O ATOM 1125 CB HIS A 73 9.025 3.723 -1.898 1.00 0.00 C ATOM 1126 CG HIS A 73 9.614 2.333 -1.897 1.00 0.00 C ATOM 1127 ND1 HIS A 73 8.883 1.153 -1.738 1.00 0.00 N ATOM 1128 CD2 HIS A 73 10.934 2.021 -2.051 1.00 0.00 C ATOM 1129 CE1 HIS A 73 9.783 0.163 -1.805 1.00 0.00 C ATOM 1130 NE2 HIS A 73 11.022 0.652 -1.990 1.00 0.00 N ATOM 0 H HIS A 73 9.986 5.024 0.221 1.00 0.00 H new ATOM 0 HA HIS A 73 10.844 4.654 -2.589 1.00 0.00 H new ATOM 0 HB2 HIS A 73 8.358 3.824 -1.042 1.00 0.00 H new ATOM 0 HB3 HIS A 73 8.416 3.848 -2.793 1.00 0.00 H new ATOM 0 HD1 HIS A 73 7.876 1.064 -1.600 1.00 0.00 H new ATOM 0 HD2 HIS A 73 11.749 2.715 -2.193 1.00 0.00 H new ATOM 0 HE1 HIS A 73 9.545 -0.887 -1.722 1.00 0.00 H new ATOM 1138 N VAL A 74 9.504 7.153 -1.293 1.00 0.00 N ATOM 1139 CA VAL A 74 9.033 8.511 -1.535 1.00 0.00 C ATOM 1140 C VAL A 74 9.775 9.132 -2.719 1.00 0.00 C ATOM 1141 O VAL A 74 9.246 9.987 -3.426 1.00 0.00 O ATOM 1142 CB VAL A 74 9.272 9.335 -0.268 1.00 0.00 C ATOM 1143 CG1 VAL A 74 10.757 9.436 0.072 1.00 0.00 C ATOM 1144 CG2 VAL A 74 8.738 10.747 -0.448 1.00 0.00 C ATOM 0 H VAL A 74 9.880 7.011 -0.355 1.00 0.00 H new ATOM 0 HA VAL A 74 7.970 8.497 -1.777 1.00 0.00 H new ATOM 0 HB VAL A 74 8.751 8.824 0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.883 10.029 0.978 1.00 0.00 H new ATOM 0 HG12 VAL A 74 11.162 8.437 0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 74 11.287 9.914 -0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.915 11.322 0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.248 11.225 -1.284 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.668 10.708 -0.650 1.00 0.00 H new ATOM 1154 N ALA A 75 11.011 8.680 -2.924 1.00 0.00 N ATOM 1155 CA ALA A 75 11.884 9.140 -3.991 1.00 0.00 C ATOM 1156 C ALA A 75 11.288 8.860 -5.357 1.00 0.00 C ATOM 1157 O ALA A 75 11.476 9.618 -6.306 1.00 0.00 O ATOM 1158 CB ALA A 75 13.169 8.329 -3.905 1.00 0.00 C ATOM 0 H ALA A 75 11.439 7.966 -2.335 1.00 0.00 H new ATOM 0 HA ALA A 75 12.039 10.213 -3.877 1.00 0.00 H new ATOM 0 HB1 ALA A 75 13.853 8.646 -4.693 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.636 8.489 -2.933 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.940 7.270 -4.028 1.00 0.00 H new ATOM 1164 N ILE A 76 10.570 7.744 -5.432 1.00 0.00 N ATOM 1165 CA ILE A 76 10.080 7.197 -6.674 1.00 0.00 C ATOM 1166 C ILE A 76 8.628 7.587 -6.847 1.00 0.00 C ATOM 1167 O ILE A 76 8.154 7.790 -7.960 1.00 0.00 O ATOM 1168 CB ILE A 76 10.220 5.688 -6.592 1.00 0.00 C ATOM 1169 CG1 ILE A 76 11.676 5.343 -6.299 1.00 0.00 C ATOM 1170 CG2 ILE A 76 9.770 5.086 -7.915 1.00 0.00 C ATOM 1171 CD1 ILE A 76 12.559 5.388 -7.535 1.00 0.00 C ATOM 0 H ILE A 76 10.313 7.192 -4.614 1.00 0.00 H new ATOM 0 HA ILE A 76 10.642 7.578 -7.527 1.00 0.00 H new ATOM 0 HB ILE A 76 9.600 5.281 -5.793 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.066 6.039 -5.556 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.726 4.347 -5.860 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.865 4.001 -7.872 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.729 5.352 -8.101 1.00 0.00 H new ATOM 0 HG23 ILE A 76 10.393 5.473 -8.721 1.00 0.00 H new ATOM 0 HD11 ILE A 76 13.583 5.133 -7.260 1.00 0.00 H new ATOM 0 HD12 ILE A 76 12.192 4.672 -8.271 1.00 0.00 H new ATOM 0 HD13 ILE A 76 12.537 6.391 -7.962 1.00 0.00 H new ATOM 1183 N ARG A 77 7.928 7.696 -5.717 1.00 0.00 N ATOM 1184 CA ARG A 77 6.573 8.232 -5.692 1.00 0.00 C ATOM 1185 C ARG A 77 6.552 9.607 -6.352 1.00 0.00 C ATOM 1186 O ARG A 77 5.518 10.065 -6.831 1.00 0.00 O ATOM 1187 CB ARG A 77 6.091 8.287 -4.240 1.00 0.00 C ATOM 1188 CG ARG A 77 4.694 8.901 -4.133 1.00 0.00 C ATOM 1189 CD ARG A 77 4.770 10.387 -3.777 1.00 0.00 C ATOM 1190 NE ARG A 77 3.431 10.972 -3.668 1.00 0.00 N ATOM 1191 CZ ARG A 77 3.192 12.263 -3.426 1.00 0.00 C ATOM 1192 NH1 ARG A 77 4.197 13.119 -3.258 1.00 0.00 N ATOM 1193 NH2 ARG A 77 1.940 12.705 -3.354 1.00 0.00 N ATOM 0 H ARG A 77 8.283 7.417 -4.803 1.00 0.00 H new ATOM 0 HA ARG A 77 5.895 7.590 -6.254 1.00 0.00 H new ATOM 0 HB2 ARG A 77 6.080 7.281 -3.821 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.793 8.872 -3.645 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.166 8.777 -5.078 1.00 0.00 H new ATOM 0 HG3 ARG A 77 4.118 8.371 -3.374 1.00 0.00 H new ATOM 0 HD2 ARG A 77 5.303 10.512 -2.834 1.00 0.00 H new ATOM 0 HD3 ARG A 77 5.341 10.918 -4.538 1.00 0.00 H new ATOM 0 HE ARG A 77 2.629 10.352 -3.785 1.00 0.00 H new ATOM 0 HH11 ARG A 77 5.161 12.791 -3.314 1.00 0.00 H new ATOM 0 HH12 ARG A 77 4.003 14.103 -3.074 1.00 0.00 H new ATOM 0 HH21 ARG A 77 1.162 12.058 -3.484 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.757 13.691 -3.169 1.00 0.00 H new ATOM 1207 N SER A 78 7.712 10.258 -6.370 1.00 0.00 N ATOM 1208 CA SER A 78 7.891 11.579 -6.949 1.00 0.00 C ATOM 1209 C SER A 78 8.062 11.491 -8.465 1.00 0.00 C ATOM 1210 O SER A 78 7.812 12.462 -9.176 1.00 0.00 O ATOM 1211 CB SER A 78 9.157 12.168 -6.326 1.00 0.00 C ATOM 1212 OG SER A 78 9.332 13.512 -6.720 1.00 0.00 O ATOM 0 H SER A 78 8.569 9.871 -5.974 1.00 0.00 H new ATOM 0 HA SER A 78 7.018 12.200 -6.750 1.00 0.00 H new ATOM 0 HB2 SER A 78 9.094 12.108 -5.239 1.00 0.00 H new ATOM 0 HB3 SER A 78 10.024 11.580 -6.628 1.00 0.00 H new ATOM 0 HG SER A 78 10.147 13.870 -6.309 1.00 0.00 H new ATOM 1218 N LYS A 79 8.488 10.329 -8.965 1.00 0.00 N ATOM 1219 CA LYS A 79 8.757 10.138 -10.382 1.00 0.00 C ATOM 1220 C LYS A 79 7.576 9.467 -11.062 1.00 0.00 C ATOM 1221 O LYS A 79 7.277 9.761 -12.216 1.00 0.00 O ATOM 1222 CB LYS A 79 10.016 9.284 -10.537 1.00 0.00 C ATOM 1223 CG LYS A 79 11.186 9.952 -9.814 1.00 0.00 C ATOM 1224 CD LYS A 79 12.463 9.145 -10.008 1.00 0.00 C ATOM 1225 CE LYS A 79 13.608 9.892 -9.334 1.00 0.00 C ATOM 1226 NZ LYS A 79 14.884 9.173 -9.476 1.00 0.00 N ATOM 0 H LYS A 79 8.654 9.499 -8.396 1.00 0.00 H new ATOM 0 HA LYS A 79 8.912 11.107 -10.856 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.844 8.288 -10.128 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.253 9.158 -11.593 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.327 10.964 -10.195 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.962 10.040 -8.751 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.353 8.150 -9.577 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.670 9.011 -11.070 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.700 10.887 -9.770 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.382 10.027 -8.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.670 9.854 -9.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.991 8.498 -8.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.894 8.658 -10.380 1.00 0.00 H new ATOM 1240 N LEU A 80 6.900 8.571 -10.340 1.00 0.00 N ATOM 1241 CA LEU A 80 5.705 7.885 -10.811 1.00 0.00 C ATOM 1242 C LEU A 80 4.558 8.867 -11.024 1.00 0.00 C ATOM 1243 O LEU A 80 3.488 8.477 -11.472 1.00 0.00 O ATOM 1244 CB LEU A 80 5.286 6.864 -9.756 1.00 0.00 C ATOM 1245 CG LEU A 80 6.114 5.574 -9.739 1.00 0.00 C ATOM 1246 CD1 LEU A 80 7.501 5.656 -10.378 1.00 0.00 C ATOM 1247 CD2 LEU A 80 6.208 5.113 -8.289 1.00 0.00 C ATOM 0 H LEU A 80 7.176 8.300 -9.396 1.00 0.00 H new ATOM 0 HA LEU A 80 5.929 7.400 -11.761 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.350 7.332 -8.774 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.240 6.605 -9.918 1.00 0.00 H new ATOM 0 HG LEU A 80 5.594 4.855 -10.372 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.992 4.686 -10.307 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.402 5.937 -11.427 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.098 6.404 -9.857 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.792 4.194 -8.236 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.693 5.886 -7.692 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.207 4.929 -7.900 1.00 0.00 H new ATOM 1259 N GLN A 81 4.789 10.137 -10.702 1.00 0.00 N ATOM 1260 CA GLN A 81 3.896 11.246 -10.919 1.00 0.00 C ATOM 1261 C GLN A 81 4.392 12.219 -11.991 1.00 0.00 C ATOM 1262 O GLN A 81 3.639 13.084 -12.425 1.00 0.00 O ATOM 1263 CB GLN A 81 3.921 11.953 -9.570 1.00 0.00 C ATOM 1264 CG GLN A 81 2.815 11.497 -8.646 1.00 0.00 C ATOM 1265 CD GLN A 81 2.443 10.041 -8.800 1.00 0.00 C ATOM 1266 OE1 GLN A 81 1.404 9.710 -9.366 1.00 0.00 O ATOM 1267 NE2 GLN A 81 3.296 9.163 -8.301 1.00 0.00 N ATOM 0 H GLN A 81 5.660 10.425 -10.256 1.00 0.00 H new ATOM 0 HA GLN A 81 2.917 10.910 -11.261 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.884 11.776 -9.091 1.00 0.00 H new ATOM 0 HB3 GLN A 81 3.836 13.028 -9.727 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.121 11.676 -7.615 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.930 12.108 -8.827 1.00 0.00 H new ATOM 0 HE21 GLN A 81 4.147 9.484 -7.839 1.00 0.00 H new ATOM 0 HE22 GLN A 81 3.103 8.164 -8.378 1.00 0.00 H new ATOM 1276 N TYR A 82 5.649 12.087 -12.420 1.00 0.00 N ATOM 1277 CA TYR A 82 6.220 12.965 -13.437 1.00 0.00 C ATOM 1278 C TYR A 82 6.225 12.300 -14.806 1.00 0.00 C ATOM 1279 O TYR A 82 5.557 12.772 -15.725 1.00 0.00 O ATOM 1280 CB TYR A 82 7.657 13.302 -13.059 1.00 0.00 C ATOM 1281 CG TYR A 82 8.446 13.935 -14.185 1.00 0.00 C ATOM 1282 CD1 TYR A 82 8.255 15.285 -14.522 1.00 0.00 C ATOM 1283 CD2 TYR A 82 9.380 13.164 -14.891 1.00 0.00 C ATOM 1284 CE1 TYR A 82 9.017 15.866 -15.547 1.00 0.00 C ATOM 1285 CE2 TYR A 82 10.159 13.739 -15.902 1.00 0.00 C ATOM 1286 CZ TYR A 82 9.977 15.099 -16.234 1.00 0.00 C ATOM 1287 OH TYR A 82 10.727 15.671 -17.217 1.00 0.00 O ATOM 0 H TYR A 82 6.292 11.375 -12.075 1.00 0.00 H new ATOM 0 HA TYR A 82 5.608 13.866 -13.487 1.00 0.00 H new ATOM 0 HB2 TYR A 82 7.650 13.980 -12.205 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.163 12.391 -12.739 1.00 0.00 H new ATOM 0 HD1 TYR A 82 7.522 15.876 -13.993 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.500 12.117 -14.653 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.867 16.903 -15.809 1.00 0.00 H new ATOM 0 HE2 TYR A 82 10.895 13.146 -16.425 1.00 0.00 H new ATOM 0 HH TYR A 82 11.342 15.005 -17.589 1.00 0.00 H new ATOM 1297 N ARG A 83 6.970 11.198 -14.949 1.00 0.00 N ATOM 1298 CA ARG A 83 7.044 10.529 -16.236 1.00 0.00 C ATOM 1299 C ARG A 83 5.779 9.709 -16.469 1.00 0.00 C ATOM 1300 O ARG A 83 5.608 9.098 -17.520 1.00 0.00 O ATOM 1301 CB ARG A 83 8.375 9.783 -16.423 1.00 0.00 C ATOM 1302 CG ARG A 83 8.530 8.440 -15.700 1.00 0.00 C ATOM 1303 CD ARG A 83 8.871 8.587 -14.217 1.00 0.00 C ATOM 1304 NE ARG A 83 10.188 8.028 -13.894 1.00 0.00 N ATOM 1305 CZ ARG A 83 11.341 8.692 -14.018 1.00 0.00 C ATOM 1306 NH1 ARG A 83 11.361 9.910 -14.542 1.00 0.00 N ATOM 1307 NH2 ARG A 83 12.480 8.137 -13.620 1.00 0.00 N ATOM 0 H ARG A 83 7.515 10.765 -14.204 1.00 0.00 H new ATOM 0 HA ARG A 83 7.063 11.266 -17.038 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.520 9.612 -17.490 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.180 10.440 -16.093 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.604 7.873 -15.798 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.312 7.860 -16.190 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.849 9.642 -13.944 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.109 8.087 -13.619 1.00 0.00 H new ATOM 0 HE ARG A 83 10.226 7.068 -13.552 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.493 10.346 -14.853 1.00 0.00 H new ATOM 0 HH12 ARG A 83 12.245 10.411 -14.634 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.477 7.200 -13.218 1.00 0.00 H new ATOM 0 HH22 ARG A 83 13.357 8.648 -13.717 1.00 0.00 H new ATOM 1321 N LEU A 84 4.890 9.714 -15.469 1.00 0.00 N ATOM 1322 CA LEU A 84 3.537 9.203 -15.610 1.00 0.00 C ATOM 1323 C LEU A 84 2.727 10.165 -16.468 1.00 0.00 C ATOM 1324 O LEU A 84 1.960 9.731 -17.318 1.00 0.00 O ATOM 1325 CB LEU A 84 2.882 9.121 -14.226 1.00 0.00 C ATOM 1326 CG LEU A 84 1.351 9.113 -14.234 1.00 0.00 C ATOM 1327 CD1 LEU A 84 0.788 7.940 -15.036 1.00 0.00 C ATOM 1328 CD2 LEU A 84 0.866 9.038 -12.787 1.00 0.00 C ATOM 0 H LEU A 84 5.098 10.076 -14.538 1.00 0.00 H new ATOM 0 HA LEU A 84 3.567 8.216 -16.073 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.232 8.217 -13.728 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.223 9.967 -13.629 1.00 0.00 H new ATOM 0 HG LEU A 84 0.998 10.025 -14.715 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.301 7.974 -15.015 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.133 8.006 -16.068 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.130 7.002 -14.598 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.224 9.031 -12.768 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.243 8.126 -12.324 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.233 9.903 -12.235 1.00 0.00 H new ATOM 1340 N GLU A 85 2.900 11.470 -16.238 1.00 0.00 N ATOM 1341 CA GLU A 85 2.026 12.491 -16.796 1.00 0.00 C ATOM 1342 C GLU A 85 2.445 12.888 -18.204 1.00 0.00 C ATOM 1343 O GLU A 85 1.607 13.087 -19.081 1.00 0.00 O ATOM 1344 CB GLU A 85 2.104 13.718 -15.904 1.00 0.00 C ATOM 1345 CG GLU A 85 1.391 13.423 -14.588 1.00 0.00 C ATOM 1346 CD GLU A 85 -0.125 13.333 -14.771 1.00 0.00 C ATOM 1347 OE1 GLU A 85 -0.704 14.312 -15.291 1.00 0.00 O ATOM 1348 OE2 GLU A 85 -0.692 12.286 -14.388 1.00 0.00 O ATOM 0 H GLU A 85 3.652 11.842 -15.658 1.00 0.00 H new ATOM 0 HA GLU A 85 1.014 12.090 -16.846 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.145 13.982 -15.717 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.643 14.573 -16.399 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.764 12.486 -14.175 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.624 14.205 -13.865 1.00 0.00 H new ATOM 1355 N LEU A 86 3.754 13.004 -18.419 1.00 0.00 N ATOM 1356 CA LEU A 86 4.280 13.439 -19.703 1.00 0.00 C ATOM 1357 C LEU A 86 4.025 12.392 -20.781 1.00 0.00 C ATOM 1358 O LEU A 86 3.764 12.732 -21.934 1.00 0.00 O ATOM 1359 CB LEU A 86 5.761 13.768 -19.524 1.00 0.00 C ATOM 1360 CG LEU A 86 6.716 12.575 -19.581 1.00 0.00 C ATOM 1361 CD1 LEU A 86 7.110 12.274 -21.031 1.00 0.00 C ATOM 1362 CD2 LEU A 86 7.977 12.932 -18.795 1.00 0.00 C ATOM 0 H LEU A 86 4.467 12.802 -17.718 1.00 0.00 H new ATOM 0 HA LEU A 86 3.766 14.338 -20.045 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.052 14.480 -20.296 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.890 14.268 -18.564 1.00 0.00 H new ATOM 0 HG LEU A 86 6.225 11.699 -19.158 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.790 11.422 -21.054 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.216 12.041 -21.610 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.604 13.145 -21.462 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.673 12.093 -18.823 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.447 13.809 -19.240 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.712 13.149 -17.760 1.00 0.00 H new ATOM 1374 N ALA A 87 4.107 11.115 -20.401 1.00 0.00 N ATOM 1375 CA ALA A 87 3.910 9.989 -21.273 1.00 0.00 C ATOM 1376 C ALA A 87 2.493 9.993 -21.844 1.00 0.00 C ATOM 1377 O ALA A 87 2.329 10.031 -23.057 1.00 0.00 O ATOM 1378 CB ALA A 87 4.170 8.734 -20.435 1.00 0.00 C ATOM 0 H ALA A 87 4.320 10.843 -19.441 1.00 0.00 H new ATOM 0 HA ALA A 87 4.588 10.026 -22.125 1.00 0.00 H new ATOM 0 HB1 ALA A 87 4.033 7.848 -21.055 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.191 8.756 -20.054 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.472 8.704 -19.599 1.00 0.00 H new ATOM 1384 N GLN A 88 1.470 9.959 -20.984 1.00 0.00 N ATOM 1385 CA GLN A 88 0.062 9.972 -21.380 1.00 0.00 C ATOM 1386 C GLN A 88 -0.329 11.231 -22.145 1.00 0.00 C ATOM 1387 O GLN A 88 -1.360 11.259 -22.812 1.00 0.00 O ATOM 1388 CB GLN A 88 -0.839 9.811 -20.167 1.00 0.00 C ATOM 1389 CG GLN A 88 -0.454 10.792 -19.081 1.00 0.00 C ATOM 1390 CD GLN A 88 -1.387 10.694 -17.882 1.00 0.00 C ATOM 1391 OE1 GLN A 88 -2.526 11.154 -17.926 1.00 0.00 O ATOM 1392 NE2 GLN A 88 -0.899 10.091 -16.806 1.00 0.00 N ATOM 0 H GLN A 88 1.602 9.921 -19.973 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.073 9.126 -22.054 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.878 9.970 -20.456 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.766 8.792 -19.786 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.570 10.600 -18.762 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.479 11.806 -19.480 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.053 9.724 -16.815 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.475 9.994 -15.970 1.00 0.00 H new ATOM 1401 N GLY A 89 0.503 12.268 -22.040 1.00 0.00 N ATOM 1402 CA GLY A 89 0.312 13.516 -22.751 1.00 0.00 C ATOM 1403 C GLY A 89 1.147 13.523 -24.029 1.00 0.00 C ATOM 1404 O GLY A 89 1.292 14.560 -24.673 1.00 0.00 O ATOM 0 H GLY A 89 1.335 12.257 -21.450 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.742 13.647 -22.995 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.599 14.354 -22.115 1.00 0.00 H new ATOM 1408 N ALA A 90 1.696 12.357 -24.387 1.00 0.00 N ATOM 1409 CA ALA A 90 2.562 12.196 -25.542 1.00 0.00 C ATOM 1410 C ALA A 90 2.339 10.884 -26.288 1.00 0.00 C ATOM 1411 O ALA A 90 2.738 10.778 -27.447 1.00 0.00 O ATOM 1412 CB ALA A 90 3.988 12.153 -25.027 1.00 0.00 C ATOM 0 H ALA A 90 1.544 11.491 -23.870 1.00 0.00 H new ATOM 0 HA ALA A 90 2.353 13.019 -26.225 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.674 12.032 -25.865 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.214 13.082 -24.504 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.102 11.313 -24.341 1.00 0.00 H new ATOM 1833 N VAL B 708 17.697 7.901 -13.439 1.00 0.00 N ATOM 1834 CA VAL B 708 17.044 6.631 -13.143 1.00 0.00 C ATOM 1835 C VAL B 708 16.767 6.506 -11.641 1.00 0.00 C ATOM 1836 O VAL B 708 16.907 7.483 -10.906 1.00 0.00 O ATOM 1837 CB VAL B 708 17.809 5.439 -13.730 1.00 0.00 C ATOM 1838 CG1 VAL B 708 18.586 5.856 -14.968 1.00 0.00 C ATOM 1839 CG2 VAL B 708 18.804 4.774 -12.793 1.00 0.00 C ATOM 0 HA VAL B 708 16.075 6.616 -13.642 1.00 0.00 H new ATOM 0 HB VAL B 708 17.023 4.715 -13.948 1.00 0.00 H new ATOM 0 HG11 VAL B 708 19.122 4.995 -15.369 1.00 0.00 H new ATOM 0 HG12 VAL B 708 17.895 6.236 -15.721 1.00 0.00 H new ATOM 0 HG13 VAL B 708 19.300 6.637 -14.704 1.00 0.00 H new ATOM 0 HG21 VAL B 708 19.289 3.944 -13.307 1.00 0.00 H new ATOM 0 HG22 VAL B 708 19.556 5.501 -12.486 1.00 0.00 H new ATOM 0 HG23 VAL B 708 18.281 4.400 -11.913 1.00 0.00 H new ATOM 1849 N ASP B 709 16.372 5.304 -11.194 1.00 0.00 N ATOM 1850 CA ASP B 709 15.905 5.036 -9.840 1.00 0.00 C ATOM 1851 C ASP B 709 15.037 6.180 -9.330 1.00 0.00 C ATOM 1852 O ASP B 709 15.351 6.749 -8.262 1.00 0.00 O ATOM 1853 CB ASP B 709 17.027 4.644 -8.869 1.00 0.00 C ATOM 1854 CG ASP B 709 18.227 5.592 -8.852 1.00 0.00 C ATOM 1855 OD1 ASP B 709 19.098 5.443 -9.741 1.00 0.00 O ATOM 1856 OD2 ASP B 709 18.278 6.462 -7.953 1.00 0.00 O ATOM 1857 OXT ASP B 709 14.046 6.478 -10.033 1.00 0.00 O ATOM 0 H ASP B 709 16.372 4.474 -11.787 1.00 0.00 H new ATOM 0 HA ASP B 709 15.275 4.148 -9.890 1.00 0.00 H new ATOM 0 HB2 ASP B 709 16.613 4.588 -7.862 1.00 0.00 H new ATOM 0 HB3 ASP B 709 17.377 3.644 -9.126 1.00 0.00 H new