USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 843 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 92 SER OG : rot -76:sc= -1.29 USER MOD Set 1.2: A 97 THR OG1 : rot -123:sc= -2.81 USER MOD Set 2.1: A 75 GLN : amide:sc= -1.12 K(o=-1.1,f=-5.4!) USER MOD Set 2.2: A 82 TYR OH : rot 130:sc=-0.00083 USER MOD Set 3.1: A 54 GLN : amide:sc= -0.623 X(o=-0.62,f=-0.62) USER MOD Set 3.2: A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 70 ASN : amide:sc= -1.32 K(o=-1.3,f=-4.7!) USER MOD Set 5.1: A 8 MET CE :methyl 156:sc= -0.0167 (180deg=-0.895) USER MOD Set 5.2: A 78 ASN : amide:sc= -6.54! C(o=-7.7!,f=-14!) USER MOD Set 5.3: A 83 CYS SG : rot 142:sc= -1.14 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 3:sc= 1.05 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 148:sc= -0.435 (180deg=-1.44!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -8.35! C(o=-8.4!,f=-12!) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 37 ASN : amide:sc= -0.0947 K(o=-0.095,f=-1.9) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -80:sc= -3.36 USER MOD Single : A 48 MET CE :methyl 170:sc= 0 (180deg=-0.151) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -2.09 K(o=-2.1,f=-8.4!) USER MOD Single : A 56 MET CE :methyl 157:sc= -0.0859 (180deg=-0.732) USER MOD Single : A 59 ASN : amide:sc= -8.03! C(o=-8!,f=-9.5!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 140:sc= -0.157 USER MOD Single : A 68 GLN : amide:sc= -0.563 K(o=-0.56,f=-5!) USER MOD Single : A 86 TYR OH : rot -92:sc= -0.314! USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 135:sc= -2.2! (180deg=-4.72!) USER MOD Single : A 95 SER OG : rot -12:sc= 0.666 USER MOD Single : A 96 ASN : amide:sc= -0.233 K(o=-0.23,f=-2.3!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.540 -13.328 3.379 1.00 0.00 N ATOM 2 CA GLY A 1 -14.093 -13.125 4.747 1.00 0.00 C ATOM 3 C GLY A 1 -15.249 -12.666 5.639 1.00 0.00 C ATOM 4 O GLY A 1 -15.830 -13.468 6.369 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.738 -13.639 2.794 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.284 -14.055 3.361 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.918 -12.436 3.001 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.673 -14.052 5.138 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.296 -12.381 4.767 1.00 0.00 H new ATOM 8 N SER A 2 -15.547 -11.378 5.551 1.00 0.00 N ATOM 9 CA SER A 2 -16.622 -10.803 6.341 1.00 0.00 C ATOM 10 C SER A 2 -17.600 -10.058 5.430 1.00 0.00 C ATOM 11 O SER A 2 -17.263 -9.014 4.874 1.00 0.00 O ATOM 12 CB SER A 2 -16.074 -9.861 7.415 1.00 0.00 C ATOM 13 OG SER A 2 -15.654 -8.615 6.867 1.00 0.00 O ATOM 0 H SER A 2 -15.062 -10.716 4.944 1.00 0.00 H new ATOM 0 HA SER A 2 -17.149 -11.614 6.843 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.841 -9.685 8.169 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.233 -10.337 7.920 1.00 0.00 H new ATOM 0 HG SER A 2 -15.844 -8.600 5.906 1.00 0.00 H new ATOM 19 N SER A 3 -18.792 -10.624 5.306 1.00 0.00 N ATOM 20 CA SER A 3 -19.821 -10.026 4.472 1.00 0.00 C ATOM 21 C SER A 3 -19.322 -9.908 3.030 1.00 0.00 C ATOM 22 O SER A 3 -18.721 -8.901 2.659 1.00 0.00 O ATOM 23 CB SER A 3 -20.233 -8.653 5.006 1.00 0.00 C ATOM 24 OG SER A 3 -21.287 -8.746 5.961 1.00 0.00 O ATOM 0 H SER A 3 -19.068 -11.490 5.769 1.00 0.00 H new ATOM 0 HA SER A 3 -20.699 -10.672 4.494 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.371 -8.168 5.464 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.550 -8.021 4.176 1.00 0.00 H new ATOM 0 HG SER A 3 -21.520 -7.849 6.279 1.00 0.00 H new ATOM 30 N GLY A 4 -19.591 -10.950 2.258 1.00 0.00 N ATOM 31 CA GLY A 4 -19.177 -10.975 0.865 1.00 0.00 C ATOM 32 C GLY A 4 -17.678 -10.703 0.733 1.00 0.00 C ATOM 33 O GLY A 4 -16.950 -10.723 1.725 1.00 0.00 O ATOM 0 H GLY A 4 -20.090 -11.783 2.570 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.414 -11.946 0.429 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.737 -10.228 0.302 1.00 0.00 H new ATOM 37 N SER A 5 -17.260 -10.454 -0.499 1.00 0.00 N ATOM 38 CA SER A 5 -15.860 -10.178 -0.773 1.00 0.00 C ATOM 39 C SER A 5 -15.592 -8.675 -0.664 1.00 0.00 C ATOM 40 O SER A 5 -16.330 -7.867 -1.225 1.00 0.00 O ATOM 41 CB SER A 5 -15.459 -10.689 -2.158 1.00 0.00 C ATOM 42 OG SER A 5 -15.943 -9.845 -3.200 1.00 0.00 O ATOM 0 H SER A 5 -17.866 -10.438 -1.319 1.00 0.00 H new ATOM 0 HA SER A 5 -15.256 -10.703 -0.033 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.373 -10.754 -2.220 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.848 -11.698 -2.299 1.00 0.00 H new ATOM 0 HG SER A 5 -15.665 -10.204 -4.068 1.00 0.00 H new ATOM 48 N SER A 6 -14.533 -8.347 0.062 1.00 0.00 N ATOM 49 CA SER A 6 -14.158 -6.956 0.253 1.00 0.00 C ATOM 50 C SER A 6 -12.644 -6.798 0.108 1.00 0.00 C ATOM 51 O SER A 6 -11.909 -6.897 1.089 1.00 0.00 O ATOM 52 CB SER A 6 -14.617 -6.444 1.619 1.00 0.00 C ATOM 53 OG SER A 6 -15.910 -5.848 1.559 1.00 0.00 O ATOM 0 H SER A 6 -13.923 -9.021 0.525 1.00 0.00 H new ATOM 0 HA SER A 6 -14.654 -6.360 -0.513 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.631 -7.270 2.330 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.899 -5.714 1.993 1.00 0.00 H new ATOM 0 HG SER A 6 -16.168 -5.535 2.451 1.00 0.00 H new ATOM 59 N GLY A 7 -12.221 -6.554 -1.124 1.00 0.00 N ATOM 60 CA GLY A 7 -10.807 -6.381 -1.410 1.00 0.00 C ATOM 61 C GLY A 7 -10.266 -5.110 -0.752 1.00 0.00 C ATOM 62 O GLY A 7 -10.999 -4.139 -0.575 1.00 0.00 O ATOM 0 H GLY A 7 -12.833 -6.472 -1.936 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.251 -7.246 -1.050 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.654 -6.330 -2.488 1.00 0.00 H new ATOM 66 N MET A 8 -8.988 -5.158 -0.409 1.00 0.00 N ATOM 67 CA MET A 8 -8.340 -4.022 0.226 1.00 0.00 C ATOM 68 C MET A 8 -7.533 -3.213 -0.792 1.00 0.00 C ATOM 69 O MET A 8 -6.603 -3.733 -1.406 1.00 0.00 O ATOM 70 CB MET A 8 -7.412 -4.519 1.336 1.00 0.00 C ATOM 71 CG MET A 8 -8.197 -5.275 2.409 1.00 0.00 C ATOM 72 SD MET A 8 -7.172 -6.545 3.133 1.00 0.00 S ATOM 73 CE MET A 8 -5.787 -5.556 3.673 1.00 0.00 C ATOM 0 H MET A 8 -8.383 -5.965 -0.558 1.00 0.00 H new ATOM 0 HA MET A 8 -9.110 -3.376 0.647 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.648 -5.171 0.912 1.00 0.00 H new ATOM 0 HB3 MET A 8 -6.894 -3.673 1.788 1.00 0.00 H new ATOM 0 HG2 MET A 8 -8.533 -4.583 3.181 1.00 0.00 H new ATOM 0 HG3 MET A 8 -9.090 -5.722 1.971 1.00 0.00 H new ATOM 0 HE1 MET A 8 -5.273 -6.065 4.489 1.00 0.00 H new ATOM 0 HE2 MET A 8 -5.096 -5.413 2.842 1.00 0.00 H new ATOM 0 HE3 MET A 8 -6.145 -4.586 4.019 1.00 0.00 H new ATOM 83 N VAL A 9 -7.917 -1.954 -0.937 1.00 0.00 N ATOM 84 CA VAL A 9 -7.241 -1.068 -1.869 1.00 0.00 C ATOM 85 C VAL A 9 -5.967 -0.526 -1.218 1.00 0.00 C ATOM 86 O VAL A 9 -6.033 0.290 -0.300 1.00 0.00 O ATOM 87 CB VAL A 9 -8.195 0.038 -2.327 1.00 0.00 C ATOM 88 CG1 VAL A 9 -7.420 1.270 -2.798 1.00 0.00 C ATOM 89 CG2 VAL A 9 -9.138 -0.470 -3.420 1.00 0.00 C ATOM 0 H VAL A 9 -8.688 -1.526 -0.425 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.943 -1.613 -2.765 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.803 0.333 -1.472 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.121 2.041 -3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.810 1.652 -1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.775 0.997 -3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.805 0.335 -3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.554 -0.805 -4.277 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.727 -1.302 -3.034 1.00 0.00 H new ATOM 99 N ILE A 10 -4.836 -1.002 -1.719 1.00 0.00 N ATOM 100 CA ILE A 10 -3.549 -0.576 -1.197 1.00 0.00 C ATOM 101 C ILE A 10 -3.223 0.820 -1.733 1.00 0.00 C ATOM 102 O ILE A 10 -2.454 0.961 -2.682 1.00 0.00 O ATOM 103 CB ILE A 10 -2.473 -1.619 -1.506 1.00 0.00 C ATOM 104 CG1 ILE A 10 -2.805 -2.959 -0.846 1.00 0.00 C ATOM 105 CG2 ILE A 10 -1.086 -1.111 -1.107 1.00 0.00 C ATOM 106 CD1 ILE A 10 -3.134 -2.774 0.636 1.00 0.00 C ATOM 0 H ILE A 10 -4.785 -1.678 -2.481 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.585 -0.501 -0.110 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.456 -1.785 -2.583 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.652 -3.419 -1.355 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.960 -3.640 -0.952 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.340 -1.871 -1.337 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.859 -0.200 -1.661 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.070 -0.899 -0.038 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.366 -3.742 1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.277 -2.336 1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.994 -2.112 0.738 1.00 0.00 H new ATOM 118 N ARG A 11 -3.825 1.817 -1.101 1.00 0.00 N ATOM 119 CA ARG A 11 -3.609 3.197 -1.503 1.00 0.00 C ATOM 120 C ARG A 11 -2.119 3.540 -1.439 1.00 0.00 C ATOM 121 O ARG A 11 -1.552 3.658 -0.355 1.00 0.00 O ATOM 122 CB ARG A 11 -4.387 4.160 -0.604 1.00 0.00 C ATOM 123 CG ARG A 11 -5.893 3.912 -0.708 1.00 0.00 C ATOM 124 CD ARG A 11 -6.663 4.791 0.280 1.00 0.00 C ATOM 125 NE ARG A 11 -8.110 4.491 0.203 1.00 0.00 N ATOM 126 CZ ARG A 11 -9.013 4.915 1.097 1.00 0.00 C ATOM 127 NH1 ARG A 11 -8.625 5.659 2.142 1.00 0.00 N ATOM 128 NH2 ARG A 11 -10.306 4.594 0.947 1.00 0.00 N ATOM 0 H ARG A 11 -4.462 1.697 -0.314 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.967 3.305 -2.527 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.065 4.038 0.430 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.164 5.188 -0.888 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.230 4.119 -1.724 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.107 2.862 -0.509 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.301 4.617 1.293 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.489 5.843 0.055 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.440 3.926 -0.579 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.641 5.903 2.257 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.313 5.981 2.822 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.602 4.027 0.152 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.994 4.917 1.628 1.00 0.00 H new ATOM 142 N VAL A 12 -1.529 3.692 -2.616 1.00 0.00 N ATOM 143 CA VAL A 12 -0.117 4.020 -2.708 1.00 0.00 C ATOM 144 C VAL A 12 0.036 5.486 -3.119 1.00 0.00 C ATOM 145 O VAL A 12 -0.449 5.893 -4.173 1.00 0.00 O ATOM 146 CB VAL A 12 0.584 3.054 -3.666 1.00 0.00 C ATOM 147 CG1 VAL A 12 2.045 3.456 -3.877 1.00 0.00 C ATOM 148 CG2 VAL A 12 0.478 1.613 -3.165 1.00 0.00 C ATOM 0 H VAL A 12 -2.004 3.594 -3.514 1.00 0.00 H new ATOM 0 HA VAL A 12 0.366 3.902 -1.738 1.00 0.00 H new ATOM 0 HB VAL A 12 0.079 3.111 -4.630 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.520 2.754 -4.562 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.089 4.460 -4.299 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.568 3.441 -2.921 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.984 0.947 -3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.946 1.534 -2.184 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.572 1.330 -3.090 1.00 0.00 H new ATOM 158 N PHE A 13 0.713 6.239 -2.264 1.00 0.00 N ATOM 159 CA PHE A 13 0.936 7.651 -2.526 1.00 0.00 C ATOM 160 C PHE A 13 2.118 7.853 -3.477 1.00 0.00 C ATOM 161 O PHE A 13 3.157 7.212 -3.326 1.00 0.00 O ATOM 162 CB PHE A 13 1.260 8.309 -1.183 1.00 0.00 C ATOM 163 CG PHE A 13 0.027 8.643 -0.340 1.00 0.00 C ATOM 164 CD1 PHE A 13 -1.024 7.780 -0.301 1.00 0.00 C ATOM 165 CD2 PHE A 13 -0.018 9.802 0.370 1.00 0.00 C ATOM 166 CE1 PHE A 13 -2.168 8.090 0.481 1.00 0.00 C ATOM 167 CE2 PHE A 13 -1.162 10.111 1.152 1.00 0.00 C ATOM 168 CZ PHE A 13 -2.213 9.249 1.191 1.00 0.00 C ATOM 0 H PHE A 13 1.114 5.898 -1.390 1.00 0.00 H new ATOM 0 HA PHE A 13 0.052 8.087 -2.991 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.909 7.645 -0.612 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.822 9.225 -1.365 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.988 6.859 -0.865 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.816 10.487 0.339 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.003 7.405 0.512 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.198 11.031 1.716 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.083 9.485 1.786 1.00 0.00 H new ATOM 178 N ILE A 14 1.919 8.746 -4.435 1.00 0.00 N ATOM 179 CA ILE A 14 2.956 9.040 -5.410 1.00 0.00 C ATOM 180 C ILE A 14 2.982 10.546 -5.681 1.00 0.00 C ATOM 181 O ILE A 14 1.955 11.216 -5.586 1.00 0.00 O ATOM 182 CB ILE A 14 2.763 8.192 -6.669 1.00 0.00 C ATOM 183 CG1 ILE A 14 1.438 8.527 -7.358 1.00 0.00 C ATOM 184 CG2 ILE A 14 2.881 6.701 -6.349 1.00 0.00 C ATOM 185 CD1 ILE A 14 1.679 9.153 -8.734 1.00 0.00 C ATOM 0 H ILE A 14 1.056 9.275 -4.557 1.00 0.00 H new ATOM 0 HA ILE A 14 3.936 8.769 -5.018 1.00 0.00 H new ATOM 0 HB ILE A 14 3.561 8.435 -7.370 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.841 7.622 -7.466 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.865 9.215 -6.737 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.740 6.121 -7.261 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.869 6.494 -5.937 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.119 6.424 -5.621 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.722 9.382 -9.202 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.256 10.071 -8.620 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.232 8.453 -9.361 1.00 0.00 H new ATOM 197 N ALA A 15 4.168 11.034 -6.013 1.00 0.00 N ATOM 198 CA ALA A 15 4.342 12.448 -6.298 1.00 0.00 C ATOM 199 C ALA A 15 4.856 12.616 -7.730 1.00 0.00 C ATOM 200 O ALA A 15 6.062 12.692 -7.956 1.00 0.00 O ATOM 201 CB ALA A 15 5.286 13.065 -5.265 1.00 0.00 C ATOM 0 H ALA A 15 5.018 10.475 -6.091 1.00 0.00 H new ATOM 0 HA ALA A 15 3.390 12.974 -6.225 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.416 14.126 -5.479 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.862 12.945 -4.268 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.253 12.564 -5.311 1.00 0.00 H new ATOM 207 N SER A 16 3.913 12.668 -8.660 1.00 0.00 N ATOM 208 CA SER A 16 4.255 12.825 -10.064 1.00 0.00 C ATOM 209 C SER A 16 5.419 13.807 -10.212 1.00 0.00 C ATOM 210 O SER A 16 6.251 13.659 -11.106 1.00 0.00 O ATOM 211 CB SER A 16 3.050 13.305 -10.874 1.00 0.00 C ATOM 212 OG SER A 16 3.442 13.993 -12.058 1.00 0.00 O ATOM 0 H SER A 16 2.913 12.604 -8.469 1.00 0.00 H new ATOM 0 HA SER A 16 4.556 11.853 -10.453 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.429 12.450 -11.141 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.438 13.964 -10.258 1.00 0.00 H new ATOM 0 HG SER A 16 2.644 14.282 -12.548 1.00 0.00 H new ATOM 218 N SER A 17 5.441 14.788 -9.322 1.00 0.00 N ATOM 219 CA SER A 17 6.490 15.794 -9.342 1.00 0.00 C ATOM 220 C SER A 17 7.397 15.629 -8.121 1.00 0.00 C ATOM 221 O SER A 17 6.980 15.890 -6.994 1.00 0.00 O ATOM 222 CB SER A 17 5.899 17.205 -9.378 1.00 0.00 C ATOM 223 OG SER A 17 5.643 17.643 -10.710 1.00 0.00 O ATOM 0 H SER A 17 4.749 14.908 -8.582 1.00 0.00 H new ATOM 0 HA SER A 17 7.081 15.654 -10.247 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.972 17.224 -8.806 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.587 17.899 -8.894 1.00 0.00 H new ATOM 0 HG SER A 17 5.265 18.547 -10.690 1.00 0.00 H new ATOM 229 N SER A 18 8.621 15.198 -8.387 1.00 0.00 N ATOM 230 CA SER A 18 9.591 14.995 -7.324 1.00 0.00 C ATOM 231 C SER A 18 11.003 14.933 -7.909 1.00 0.00 C ATOM 232 O SER A 18 11.346 13.985 -8.613 1.00 0.00 O ATOM 233 CB SER A 18 9.286 13.720 -6.536 1.00 0.00 C ATOM 234 OG SER A 18 9.166 13.971 -5.139 1.00 0.00 O ATOM 0 H SER A 18 8.964 14.984 -9.324 1.00 0.00 H new ATOM 0 HA SER A 18 9.526 15.838 -6.636 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.361 13.278 -6.906 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.078 12.991 -6.706 1.00 0.00 H new ATOM 0 HG SER A 18 8.970 13.132 -4.672 1.00 0.00 H new ATOM 240 N GLY A 19 11.784 15.956 -7.595 1.00 0.00 N ATOM 241 CA GLY A 19 13.152 16.030 -8.081 1.00 0.00 C ATOM 242 C GLY A 19 13.801 14.644 -8.105 1.00 0.00 C ATOM 243 O GLY A 19 14.300 14.207 -9.140 1.00 0.00 O ATOM 0 H GLY A 19 11.496 16.741 -7.010 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.163 16.458 -9.083 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.733 16.697 -7.443 1.00 0.00 H new ATOM 247 N PHE A 20 13.772 13.992 -6.952 1.00 0.00 N ATOM 248 CA PHE A 20 14.350 12.665 -6.828 1.00 0.00 C ATOM 249 C PHE A 20 13.641 11.669 -7.748 1.00 0.00 C ATOM 250 O PHE A 20 12.421 11.528 -7.692 1.00 0.00 O ATOM 251 CB PHE A 20 14.156 12.226 -5.375 1.00 0.00 C ATOM 252 CG PHE A 20 14.799 13.164 -4.350 1.00 0.00 C ATOM 253 CD1 PHE A 20 16.141 13.380 -4.374 1.00 0.00 C ATOM 254 CD2 PHE A 20 14.027 13.782 -3.416 1.00 0.00 C ATOM 255 CE1 PHE A 20 16.737 14.250 -3.424 1.00 0.00 C ATOM 256 CE2 PHE A 20 14.623 14.652 -2.465 1.00 0.00 C ATOM 257 CZ PHE A 20 15.966 14.868 -2.489 1.00 0.00 C ATOM 0 H PHE A 20 13.357 14.358 -6.095 1.00 0.00 H new ATOM 0 HA PHE A 20 15.403 12.691 -7.108 1.00 0.00 H new ATOM 0 HB2 PHE A 20 13.088 12.155 -5.167 1.00 0.00 H new ATOM 0 HB3 PHE A 20 14.573 11.227 -5.249 1.00 0.00 H new ATOM 0 HD1 PHE A 20 16.754 12.890 -5.116 1.00 0.00 H new ATOM 0 HD2 PHE A 20 12.961 13.611 -3.398 1.00 0.00 H new ATOM 0 HE1 PHE A 20 17.803 14.421 -3.443 1.00 0.00 H new ATOM 0 HE2 PHE A 20 14.010 15.142 -1.723 1.00 0.00 H new ATOM 0 HZ PHE A 20 16.420 15.530 -1.766 1.00 0.00 H new ATOM 267 N VAL A 21 14.437 11.005 -8.573 1.00 0.00 N ATOM 268 CA VAL A 21 13.901 10.026 -9.503 1.00 0.00 C ATOM 269 C VAL A 21 13.829 8.661 -8.816 1.00 0.00 C ATOM 270 O VAL A 21 12.839 7.944 -8.955 1.00 0.00 O ATOM 271 CB VAL A 21 14.739 10.008 -10.784 1.00 0.00 C ATOM 272 CG1 VAL A 21 15.892 9.009 -10.670 1.00 0.00 C ATOM 273 CG2 VAL A 21 13.868 9.703 -12.004 1.00 0.00 C ATOM 0 H VAL A 21 15.449 11.126 -8.617 1.00 0.00 H new ATOM 0 HA VAL A 21 12.887 10.295 -9.798 1.00 0.00 H new ATOM 0 HB VAL A 21 15.168 11.001 -10.918 1.00 0.00 H new ATOM 0 HG11 VAL A 21 16.472 9.016 -11.593 1.00 0.00 H new ATOM 0 HG12 VAL A 21 16.535 9.289 -9.836 1.00 0.00 H new ATOM 0 HG13 VAL A 21 15.492 8.009 -10.500 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.488 9.696 -12.901 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.398 8.728 -11.880 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.097 10.468 -12.101 1.00 0.00 H new ATOM 283 N ALA A 22 14.891 8.343 -8.091 1.00 0.00 N ATOM 284 CA ALA A 22 14.960 7.076 -7.382 1.00 0.00 C ATOM 285 C ALA A 22 13.597 6.770 -6.759 1.00 0.00 C ATOM 286 O ALA A 22 13.181 5.614 -6.704 1.00 0.00 O ATOM 287 CB ALA A 22 16.078 7.136 -6.338 1.00 0.00 C ATOM 0 H ALA A 22 15.710 8.940 -7.979 1.00 0.00 H new ATOM 0 HA ALA A 22 15.198 6.264 -8.069 1.00 0.00 H new ATOM 0 HB1 ALA A 22 16.130 6.186 -5.806 1.00 0.00 H new ATOM 0 HB2 ALA A 22 17.029 7.327 -6.834 1.00 0.00 H new ATOM 0 HB3 ALA A 22 15.871 7.938 -5.629 1.00 0.00 H new ATOM 293 N ILE A 23 12.939 7.826 -6.305 1.00 0.00 N ATOM 294 CA ILE A 23 11.631 7.685 -5.688 1.00 0.00 C ATOM 295 C ILE A 23 10.636 7.161 -6.726 1.00 0.00 C ATOM 296 O ILE A 23 9.967 6.155 -6.497 1.00 0.00 O ATOM 297 CB ILE A 23 11.202 8.999 -5.033 1.00 0.00 C ATOM 298 CG1 ILE A 23 12.099 9.337 -3.841 1.00 0.00 C ATOM 299 CG2 ILE A 23 9.722 8.961 -4.645 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.812 10.747 -3.320 1.00 0.00 C ATOM 0 H ILE A 23 13.287 8.784 -6.352 1.00 0.00 H new ATOM 0 HA ILE A 23 11.667 6.952 -4.882 1.00 0.00 H new ATOM 0 HB ILE A 23 11.323 9.799 -5.763 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.939 8.611 -3.044 1.00 0.00 H new ATOM 0 HG13 ILE A 23 13.146 9.261 -4.136 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.443 9.907 -4.181 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.116 8.801 -5.537 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.551 8.147 -3.940 1.00 0.00 H new ATOM 0 HD11 ILE A 23 12.463 10.961 -2.473 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.997 11.472 -4.112 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.771 10.813 -3.003 1.00 0.00 H new ATOM 312 N LYS A 24 10.570 7.868 -7.844 1.00 0.00 N ATOM 313 CA LYS A 24 9.669 7.487 -8.918 1.00 0.00 C ATOM 314 C LYS A 24 9.728 5.971 -9.115 1.00 0.00 C ATOM 315 O LYS A 24 8.728 5.278 -8.934 1.00 0.00 O ATOM 316 CB LYS A 24 9.979 8.284 -10.187 1.00 0.00 C ATOM 317 CG LYS A 24 9.009 9.456 -10.349 1.00 0.00 C ATOM 318 CD LYS A 24 8.973 10.317 -9.085 1.00 0.00 C ATOM 319 CE LYS A 24 9.427 11.748 -9.384 1.00 0.00 C ATOM 320 NZ LYS A 24 8.725 12.276 -10.575 1.00 0.00 N ATOM 0 H LYS A 24 11.126 8.703 -8.030 1.00 0.00 H new ATOM 0 HA LYS A 24 8.640 7.735 -8.657 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.002 8.657 -10.145 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.913 7.630 -11.057 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.310 10.066 -11.201 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.010 9.078 -10.565 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.962 10.330 -8.678 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.618 9.879 -8.323 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.227 12.387 -8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.504 11.767 -9.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.592 13.302 -10.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.291 12.083 -11.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.797 11.814 -10.664 1.00 0.00 H new ATOM 334 N LYS A 25 10.911 5.499 -9.481 1.00 0.00 N ATOM 335 CA LYS A 25 11.114 4.078 -9.704 1.00 0.00 C ATOM 336 C LYS A 25 10.355 3.286 -8.638 1.00 0.00 C ATOM 337 O LYS A 25 9.460 2.506 -8.959 1.00 0.00 O ATOM 338 CB LYS A 25 12.608 3.753 -9.765 1.00 0.00 C ATOM 339 CG LYS A 25 13.193 4.116 -11.131 1.00 0.00 C ATOM 340 CD LYS A 25 13.973 5.430 -11.062 1.00 0.00 C ATOM 341 CE LYS A 25 15.219 5.376 -11.949 1.00 0.00 C ATOM 342 NZ LYS A 25 14.852 5.568 -13.370 1.00 0.00 N ATOM 0 H LYS A 25 11.739 6.076 -9.629 1.00 0.00 H new ATOM 0 HA LYS A 25 10.708 3.782 -10.671 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.135 4.300 -8.983 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.761 2.692 -9.570 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.850 3.317 -11.473 1.00 0.00 H new ATOM 0 HG3 LYS A 25 12.390 4.204 -11.863 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.333 6.254 -11.378 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.265 5.630 -10.031 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.925 6.148 -11.642 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.721 4.417 -11.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 15.709 5.529 -13.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.196 4.817 -13.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.393 6.494 -13.488 1.00 0.00 H new ATOM 356 N LYS A 26 10.741 3.513 -7.391 1.00 0.00 N ATOM 357 CA LYS A 26 10.108 2.830 -6.275 1.00 0.00 C ATOM 358 C LYS A 26 8.594 2.793 -6.498 1.00 0.00 C ATOM 359 O LYS A 26 7.992 1.721 -6.519 1.00 0.00 O ATOM 360 CB LYS A 26 10.519 3.474 -4.950 1.00 0.00 C ATOM 361 CG LYS A 26 12.021 3.312 -4.704 1.00 0.00 C ATOM 362 CD LYS A 26 12.498 4.247 -3.591 1.00 0.00 C ATOM 363 CE LYS A 26 13.974 4.006 -3.269 1.00 0.00 C ATOM 364 NZ LYS A 26 14.295 4.500 -1.911 1.00 0.00 N ATOM 0 H LYS A 26 11.484 4.160 -7.129 1.00 0.00 H new ATOM 0 HA LYS A 26 10.448 1.796 -6.219 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.261 4.533 -4.961 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.962 3.018 -4.132 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.240 2.279 -4.434 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.569 3.525 -5.622 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.353 5.284 -3.895 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.896 4.090 -2.696 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.198 2.942 -3.338 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.600 4.512 -4.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.301 4.329 -1.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.100 5.520 -1.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 13.711 3.999 -1.212 1.00 0.00 H new ATOM 378 N GLN A 27 8.023 3.978 -6.658 1.00 0.00 N ATOM 379 CA GLN A 27 6.592 4.095 -6.877 1.00 0.00 C ATOM 380 C GLN A 27 6.130 3.078 -7.923 1.00 0.00 C ATOM 381 O GLN A 27 5.075 2.464 -7.774 1.00 0.00 O ATOM 382 CB GLN A 27 6.215 5.518 -7.294 1.00 0.00 C ATOM 383 CG GLN A 27 6.578 6.524 -6.199 1.00 0.00 C ATOM 384 CD GLN A 27 6.879 7.900 -6.797 1.00 0.00 C ATOM 385 OE1 GLN A 27 7.834 8.567 -6.434 1.00 0.00 O ATOM 386 NE2 GLN A 27 6.014 8.286 -7.730 1.00 0.00 N ATOM 0 H GLN A 27 8.526 4.865 -6.640 1.00 0.00 H new ATOM 0 HA GLN A 27 6.082 3.879 -5.938 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.731 5.779 -8.218 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.146 5.569 -7.500 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.756 6.605 -5.487 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.446 6.167 -5.645 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.236 7.678 -7.987 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.129 9.190 -8.189 1.00 0.00 H new ATOM 395 N GLN A 28 6.944 2.930 -8.958 1.00 0.00 N ATOM 396 CA GLN A 28 6.633 1.998 -10.028 1.00 0.00 C ATOM 397 C GLN A 28 6.724 0.557 -9.520 1.00 0.00 C ATOM 398 O GLN A 28 5.713 -0.137 -9.425 1.00 0.00 O ATOM 399 CB GLN A 28 7.554 2.215 -11.230 1.00 0.00 C ATOM 400 CG GLN A 28 7.395 3.628 -11.794 1.00 0.00 C ATOM 401 CD GLN A 28 8.606 4.018 -12.645 1.00 0.00 C ATOM 402 OE1 GLN A 28 9.360 3.183 -13.117 1.00 0.00 O ATOM 403 NE2 GLN A 28 8.749 5.329 -12.813 1.00 0.00 N ATOM 0 H GLN A 28 7.819 3.440 -9.078 1.00 0.00 H new ATOM 0 HA GLN A 28 5.611 2.182 -10.358 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.590 2.053 -10.933 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.326 1.483 -12.004 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.489 3.683 -12.398 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.277 4.339 -10.976 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.081 5.973 -12.390 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.527 5.691 -13.365 1.00 0.00 H new ATOM 412 N ASP A 29 7.946 0.150 -9.207 1.00 0.00 N ATOM 413 CA ASP A 29 8.182 -1.195 -8.711 1.00 0.00 C ATOM 414 C ASP A 29 7.044 -1.594 -7.770 1.00 0.00 C ATOM 415 O ASP A 29 6.699 -2.771 -7.673 1.00 0.00 O ATOM 416 CB ASP A 29 9.493 -1.270 -7.926 1.00 0.00 C ATOM 417 CG ASP A 29 10.512 -2.278 -8.463 1.00 0.00 C ATOM 418 OD1 ASP A 29 10.098 -3.114 -9.295 1.00 0.00 O ATOM 419 OD2 ASP A 29 11.681 -2.189 -8.029 1.00 0.00 O ATOM 0 H ASP A 29 8.783 0.728 -9.287 1.00 0.00 H new ATOM 0 HA ASP A 29 8.236 -1.866 -9.568 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.952 -0.281 -7.919 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.265 -1.523 -6.891 1.00 0.00 H new ATOM 424 N VAL A 30 6.493 -0.593 -7.101 1.00 0.00 N ATOM 425 CA VAL A 30 5.401 -0.825 -6.171 1.00 0.00 C ATOM 426 C VAL A 30 4.142 -1.203 -6.953 1.00 0.00 C ATOM 427 O VAL A 30 3.732 -2.362 -6.953 1.00 0.00 O ATOM 428 CB VAL A 30 5.204 0.402 -5.278 1.00 0.00 C ATOM 429 CG1 VAL A 30 3.887 0.312 -4.506 1.00 0.00 C ATOM 430 CG2 VAL A 30 6.388 0.582 -4.325 1.00 0.00 C ATOM 0 H VAL A 30 6.782 0.382 -7.184 1.00 0.00 H new ATOM 0 HA VAL A 30 5.635 -1.658 -5.509 1.00 0.00 H new ATOM 0 HB VAL A 30 5.155 1.281 -5.921 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.772 1.196 -3.879 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.056 0.255 -5.209 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.893 -0.579 -3.879 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.223 1.461 -3.702 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.482 -0.300 -3.691 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.303 0.713 -4.902 1.00 0.00 H new ATOM 440 N VAL A 31 3.565 -0.202 -7.602 1.00 0.00 N ATOM 441 CA VAL A 31 2.361 -0.415 -8.387 1.00 0.00 C ATOM 442 C VAL A 31 2.612 -1.529 -9.406 1.00 0.00 C ATOM 443 O VAL A 31 1.826 -2.469 -9.509 1.00 0.00 O ATOM 444 CB VAL A 31 1.919 0.899 -9.034 1.00 0.00 C ATOM 445 CG1 VAL A 31 2.068 2.068 -8.059 1.00 0.00 C ATOM 446 CG2 VAL A 31 2.693 1.161 -10.327 1.00 0.00 C ATOM 0 H VAL A 31 3.909 0.758 -7.600 1.00 0.00 H new ATOM 0 HA VAL A 31 1.540 -0.739 -7.747 1.00 0.00 H new ATOM 0 HB VAL A 31 0.863 0.808 -9.288 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.747 2.990 -8.544 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.452 1.888 -7.178 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.112 2.161 -7.759 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.360 2.101 -10.767 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.759 1.221 -10.107 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.513 0.348 -11.030 1.00 0.00 H new ATOM 456 N ARG A 32 3.710 -1.386 -10.133 1.00 0.00 N ATOM 457 CA ARG A 32 4.075 -2.368 -11.140 1.00 0.00 C ATOM 458 C ARG A 32 3.787 -3.782 -10.631 1.00 0.00 C ATOM 459 O ARG A 32 3.076 -4.546 -11.282 1.00 0.00 O ATOM 460 CB ARG A 32 5.556 -2.257 -11.506 1.00 0.00 C ATOM 461 CG ARG A 32 5.852 -0.925 -12.198 1.00 0.00 C ATOM 462 CD ARG A 32 6.020 -1.117 -13.707 1.00 0.00 C ATOM 463 NE ARG A 32 6.320 0.181 -14.352 1.00 0.00 N ATOM 464 CZ ARG A 32 6.138 0.432 -15.656 1.00 0.00 C ATOM 465 NH1 ARG A 32 5.656 -0.524 -16.461 1.00 0.00 N ATOM 466 NH2 ARG A 32 6.439 1.639 -16.154 1.00 0.00 N ATOM 0 H ARG A 32 4.359 -0.604 -10.045 1.00 0.00 H new ATOM 0 HA ARG A 32 3.477 -2.169 -12.029 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.164 -2.346 -10.606 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.835 -3.082 -12.162 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.041 -0.223 -12.005 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.759 -0.487 -11.780 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.825 -1.825 -13.904 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.110 -1.542 -14.131 1.00 0.00 H new ATOM 0 HE ARG A 32 6.688 0.931 -13.768 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.428 -1.443 -16.082 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.517 -0.333 -17.453 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.807 2.367 -15.541 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.301 1.830 -17.146 1.00 0.00 H new ATOM 480 N PHE A 33 4.352 -4.086 -9.472 1.00 0.00 N ATOM 481 CA PHE A 33 4.165 -5.395 -8.869 1.00 0.00 C ATOM 482 C PHE A 33 2.679 -5.699 -8.670 1.00 0.00 C ATOM 483 O PHE A 33 2.201 -6.763 -9.062 1.00 0.00 O ATOM 484 CB PHE A 33 4.853 -5.360 -7.503 1.00 0.00 C ATOM 485 CG PHE A 33 5.005 -6.734 -6.848 1.00 0.00 C ATOM 486 CD1 PHE A 33 4.003 -7.233 -6.075 1.00 0.00 C ATOM 487 CD2 PHE A 33 6.141 -7.457 -7.039 1.00 0.00 C ATOM 488 CE1 PHE A 33 4.144 -8.509 -5.467 1.00 0.00 C ATOM 489 CE2 PHE A 33 6.282 -8.733 -6.430 1.00 0.00 C ATOM 490 CZ PHE A 33 5.280 -9.232 -5.657 1.00 0.00 C ATOM 0 H PHE A 33 4.939 -3.449 -8.934 1.00 0.00 H new ATOM 0 HA PHE A 33 4.583 -6.166 -9.516 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.840 -4.912 -7.616 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.283 -4.712 -6.837 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.101 -6.659 -5.924 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.936 -7.061 -7.654 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.348 -8.905 -4.853 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.185 -9.307 -6.581 1.00 0.00 H new ATOM 0 HZ PHE A 33 5.387 -10.202 -5.194 1.00 0.00 H new ATOM 500 N LEU A 34 1.988 -4.745 -8.062 1.00 0.00 N ATOM 501 CA LEU A 34 0.566 -4.898 -7.807 1.00 0.00 C ATOM 502 C LEU A 34 -0.162 -5.140 -9.130 1.00 0.00 C ATOM 503 O LEU A 34 -0.979 -6.054 -9.236 1.00 0.00 O ATOM 504 CB LEU A 34 0.031 -3.700 -7.021 1.00 0.00 C ATOM 505 CG LEU A 34 0.795 -3.340 -5.744 1.00 0.00 C ATOM 506 CD1 LEU A 34 0.423 -1.937 -5.260 1.00 0.00 C ATOM 507 CD2 LEU A 34 0.578 -4.397 -4.660 1.00 0.00 C ATOM 0 H LEU A 34 2.387 -3.864 -7.739 1.00 0.00 H new ATOM 0 HA LEU A 34 0.383 -5.770 -7.178 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.031 -2.830 -7.678 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.007 -3.899 -6.756 1.00 0.00 H new ATOM 0 HG LEU A 34 1.860 -3.329 -5.974 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.979 -1.706 -4.352 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.670 -1.208 -6.032 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.646 -1.896 -5.051 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.131 -4.118 -3.763 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.484 -4.464 -4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.932 -5.364 -5.018 1.00 0.00 H new ATOM 519 N GLU A 35 0.160 -4.305 -10.108 1.00 0.00 N ATOM 520 CA GLU A 35 -0.454 -4.417 -11.420 1.00 0.00 C ATOM 521 C GLU A 35 -0.160 -5.789 -12.028 1.00 0.00 C ATOM 522 O GLU A 35 -1.069 -6.473 -12.497 1.00 0.00 O ATOM 523 CB GLU A 35 0.021 -3.294 -12.344 1.00 0.00 C ATOM 524 CG GLU A 35 -0.601 -1.954 -11.944 1.00 0.00 C ATOM 525 CD GLU A 35 -2.105 -1.943 -12.225 1.00 0.00 C ATOM 526 OE1 GLU A 35 -2.486 -2.456 -13.299 1.00 0.00 O ATOM 527 OE2 GLU A 35 -2.840 -1.420 -11.359 1.00 0.00 O ATOM 0 H GLU A 35 0.838 -3.548 -10.018 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.533 -4.317 -11.305 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.108 -3.221 -12.304 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.245 -3.529 -13.375 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.424 -1.768 -10.885 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.119 -1.146 -12.494 1.00 0.00 H new ATOM 534 N ALA A 36 1.115 -6.152 -12.002 1.00 0.00 N ATOM 535 CA ALA A 36 1.540 -7.430 -12.545 1.00 0.00 C ATOM 536 C ALA A 36 0.949 -8.561 -11.700 1.00 0.00 C ATOM 537 O ALA A 36 0.810 -9.687 -12.174 1.00 0.00 O ATOM 538 CB ALA A 36 3.068 -7.480 -12.599 1.00 0.00 C ATOM 0 H ALA A 36 1.867 -5.583 -11.613 1.00 0.00 H new ATOM 0 HA ALA A 36 1.174 -7.554 -13.564 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.386 -8.439 -13.007 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.436 -6.675 -13.235 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.472 -7.361 -11.594 1.00 0.00 H new ATOM 544 N ASN A 37 0.618 -8.221 -10.463 1.00 0.00 N ATOM 545 CA ASN A 37 0.045 -9.193 -9.548 1.00 0.00 C ATOM 546 C ASN A 37 -1.461 -8.953 -9.433 1.00 0.00 C ATOM 547 O ASN A 37 -2.125 -9.548 -8.585 1.00 0.00 O ATOM 548 CB ASN A 37 0.654 -9.058 -8.151 1.00 0.00 C ATOM 549 CG ASN A 37 2.003 -9.774 -8.069 1.00 0.00 C ATOM 550 OD1 ASN A 37 2.095 -10.946 -7.743 1.00 0.00 O ATOM 551 ND2 ASN A 37 3.043 -9.005 -8.382 1.00 0.00 N ATOM 0 H ASN A 37 0.736 -7.286 -10.073 1.00 0.00 H new ATOM 0 HA ASN A 37 0.254 -10.189 -9.938 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.783 -8.003 -7.907 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.029 -9.475 -7.411 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.987 -9.390 -8.357 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.896 -8.031 -8.647 1.00 0.00 H new ATOM 558 N LYS A 38 -1.957 -8.080 -10.297 1.00 0.00 N ATOM 559 CA LYS A 38 -3.373 -7.754 -10.303 1.00 0.00 C ATOM 560 C LYS A 38 -3.855 -7.567 -8.863 1.00 0.00 C ATOM 561 O LYS A 38 -4.927 -8.045 -8.496 1.00 0.00 O ATOM 562 CB LYS A 38 -4.162 -8.807 -11.083 1.00 0.00 C ATOM 563 CG LYS A 38 -3.956 -8.642 -12.590 1.00 0.00 C ATOM 564 CD LYS A 38 -4.982 -7.673 -13.182 1.00 0.00 C ATOM 565 CE LYS A 38 -5.761 -8.330 -14.323 1.00 0.00 C ATOM 566 NZ LYS A 38 -7.156 -8.601 -13.910 1.00 0.00 N ATOM 0 H LYS A 38 -1.403 -7.588 -10.998 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.544 -6.811 -10.822 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.846 -9.804 -10.776 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.222 -8.721 -10.846 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.949 -8.274 -12.785 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.041 -9.612 -13.080 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.673 -7.349 -12.404 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.475 -6.781 -13.549 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.754 -7.679 -15.198 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.275 -9.261 -14.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.670 -9.047 -14.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.157 -9.239 -13.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.622 -7.707 -13.654 1.00 0.00 H new ATOM 580 N ILE A 39 -3.039 -6.869 -8.086 1.00 0.00 N ATOM 581 CA ILE A 39 -3.369 -6.613 -6.694 1.00 0.00 C ATOM 582 C ILE A 39 -4.143 -5.297 -6.592 1.00 0.00 C ATOM 583 O ILE A 39 -3.930 -4.384 -7.389 1.00 0.00 O ATOM 584 CB ILE A 39 -2.108 -6.653 -5.829 1.00 0.00 C ATOM 585 CG1 ILE A 39 -1.565 -8.080 -5.717 1.00 0.00 C ATOM 586 CG2 ILE A 39 -2.364 -6.028 -4.456 1.00 0.00 C ATOM 587 CD1 ILE A 39 -0.114 -8.078 -5.232 1.00 0.00 C ATOM 0 H ILE A 39 -2.151 -6.473 -8.394 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.019 -7.397 -6.306 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.340 -6.053 -6.317 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.182 -8.655 -5.026 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.627 -8.574 -6.687 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.451 -6.070 -3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.669 -4.989 -4.580 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.154 -6.580 -3.947 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.247 -9.104 -5.161 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.505 -7.523 -5.937 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.059 -7.605 -4.251 1.00 0.00 H new ATOM 599 N GLU A 40 -5.025 -5.242 -5.605 1.00 0.00 N ATOM 600 CA GLU A 40 -5.832 -4.053 -5.389 1.00 0.00 C ATOM 601 C GLU A 40 -4.972 -2.925 -4.814 1.00 0.00 C ATOM 602 O GLU A 40 -4.213 -3.138 -3.870 1.00 0.00 O ATOM 603 CB GLU A 40 -7.021 -4.356 -4.475 1.00 0.00 C ATOM 604 CG GLU A 40 -8.345 -4.072 -5.186 1.00 0.00 C ATOM 605 CD GLU A 40 -9.441 -3.713 -4.180 1.00 0.00 C ATOM 606 OE1 GLU A 40 -9.303 -4.140 -3.014 1.00 0.00 O ATOM 607 OE2 GLU A 40 -10.392 -3.020 -4.602 1.00 0.00 O ATOM 0 H GLU A 40 -5.199 -6.001 -4.946 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.229 -3.727 -6.351 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.988 -5.400 -4.163 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.953 -3.751 -3.571 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.214 -3.254 -5.894 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.647 -4.946 -5.762 1.00 0.00 H new ATOM 614 N PHE A 41 -5.120 -1.750 -5.407 1.00 0.00 N ATOM 615 CA PHE A 41 -4.366 -0.589 -4.966 1.00 0.00 C ATOM 616 C PHE A 41 -4.717 0.643 -5.803 1.00 0.00 C ATOM 617 O PHE A 41 -5.469 0.546 -6.771 1.00 0.00 O ATOM 618 CB PHE A 41 -2.885 -0.917 -5.160 1.00 0.00 C ATOM 619 CG PHE A 41 -2.372 -0.663 -6.579 1.00 0.00 C ATOM 620 CD1 PHE A 41 -2.002 0.591 -6.954 1.00 0.00 C ATOM 621 CD2 PHE A 41 -2.285 -1.692 -7.465 1.00 0.00 C ATOM 622 CE1 PHE A 41 -1.526 0.826 -8.271 1.00 0.00 C ATOM 623 CE2 PHE A 41 -1.809 -1.456 -8.781 1.00 0.00 C ATOM 624 CZ PHE A 41 -1.439 -0.202 -9.157 1.00 0.00 C ATOM 0 H PHE A 41 -5.751 -1.577 -6.189 1.00 0.00 H new ATOM 0 HA PHE A 41 -4.600 -0.367 -3.925 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.297 -0.323 -4.460 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.719 -1.964 -4.907 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.070 1.408 -6.250 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.578 -2.688 -7.167 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.233 1.822 -8.569 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.740 -2.273 -9.485 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.076 -0.023 -10.158 1.00 0.00 H new ATOM 634 N GLU A 42 -4.156 1.773 -5.398 1.00 0.00 N ATOM 635 CA GLU A 42 -4.401 3.022 -6.099 1.00 0.00 C ATOM 636 C GLU A 42 -3.219 3.976 -5.911 1.00 0.00 C ATOM 637 O GLU A 42 -2.536 3.931 -4.889 1.00 0.00 O ATOM 638 CB GLU A 42 -5.706 3.668 -5.630 1.00 0.00 C ATOM 639 CG GLU A 42 -5.580 4.179 -4.193 1.00 0.00 C ATOM 640 CD GLU A 42 -6.600 5.284 -3.913 1.00 0.00 C ATOM 641 OE1 GLU A 42 -6.366 6.410 -4.404 1.00 0.00 O ATOM 642 OE2 GLU A 42 -7.590 4.979 -3.214 1.00 0.00 O ATOM 0 H GLU A 42 -3.533 1.850 -4.594 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.503 2.805 -7.162 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.965 4.494 -6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.518 2.943 -5.692 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.731 3.355 -3.496 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.572 4.558 -4.025 1.00 0.00 H new ATOM 649 N GLU A 43 -3.014 4.818 -6.914 1.00 0.00 N ATOM 650 CA GLU A 43 -1.926 5.781 -6.872 1.00 0.00 C ATOM 651 C GLU A 43 -2.429 7.126 -6.345 1.00 0.00 C ATOM 652 O GLU A 43 -2.840 7.987 -7.121 1.00 0.00 O ATOM 653 CB GLU A 43 -1.281 5.939 -8.250 1.00 0.00 C ATOM 654 CG GLU A 43 -0.184 4.894 -8.464 1.00 0.00 C ATOM 655 CD GLU A 43 0.181 4.777 -9.946 1.00 0.00 C ATOM 656 OE1 GLU A 43 0.864 5.702 -10.437 1.00 0.00 O ATOM 657 OE2 GLU A 43 -0.233 3.767 -10.554 1.00 0.00 O ATOM 0 H GLU A 43 -3.583 4.853 -7.760 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.162 5.408 -6.190 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.041 5.838 -9.025 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.859 6.939 -8.346 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.700 5.167 -7.888 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.521 3.927 -8.091 1.00 0.00 H new ATOM 664 N VAL A 44 -2.380 7.265 -5.028 1.00 0.00 N ATOM 665 CA VAL A 44 -2.826 8.491 -4.388 1.00 0.00 C ATOM 666 C VAL A 44 -1.860 9.625 -4.740 1.00 0.00 C ATOM 667 O VAL A 44 -0.952 9.933 -3.970 1.00 0.00 O ATOM 668 CB VAL A 44 -2.967 8.272 -2.880 1.00 0.00 C ATOM 669 CG1 VAL A 44 -3.329 9.578 -2.168 1.00 0.00 C ATOM 670 CG2 VAL A 44 -3.995 7.180 -2.578 1.00 0.00 C ATOM 0 H VAL A 44 -2.038 6.549 -4.387 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.812 8.778 -4.755 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.002 7.938 -2.498 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.423 9.395 -1.098 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.546 10.316 -2.342 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.275 9.954 -2.556 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.076 7.044 -1.499 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.965 7.472 -2.981 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.678 6.244 -3.038 1.00 0.00 H new ATOM 680 N ASP A 45 -2.090 10.215 -5.903 1.00 0.00 N ATOM 681 CA ASP A 45 -1.252 11.307 -6.367 1.00 0.00 C ATOM 682 C ASP A 45 -1.205 12.398 -5.295 1.00 0.00 C ATOM 683 O ASP A 45 -2.163 13.151 -5.127 1.00 0.00 O ATOM 684 CB ASP A 45 -1.814 11.928 -7.648 1.00 0.00 C ATOM 685 CG ASP A 45 -0.924 12.989 -8.297 1.00 0.00 C ATOM 686 OD1 ASP A 45 -0.154 13.622 -7.543 1.00 0.00 O ATOM 687 OD2 ASP A 45 -1.033 13.142 -9.533 1.00 0.00 O ATOM 0 H ASP A 45 -2.845 9.957 -6.538 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.258 10.908 -6.566 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.992 11.133 -8.372 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.782 12.376 -7.422 1.00 0.00 H new ATOM 692 N ILE A 46 -0.080 12.448 -4.597 1.00 0.00 N ATOM 693 CA ILE A 46 0.105 13.434 -3.545 1.00 0.00 C ATOM 694 C ILE A 46 0.617 14.739 -4.160 1.00 0.00 C ATOM 695 O ILE A 46 0.476 15.806 -3.565 1.00 0.00 O ATOM 696 CB ILE A 46 1.008 12.878 -2.442 1.00 0.00 C ATOM 697 CG1 ILE A 46 2.296 12.297 -3.029 1.00 0.00 C ATOM 698 CG2 ILE A 46 0.258 11.859 -1.582 1.00 0.00 C ATOM 699 CD1 ILE A 46 3.408 12.258 -1.979 1.00 0.00 C ATOM 0 H ILE A 46 0.713 11.822 -4.739 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.846 13.660 -3.062 1.00 0.00 H new ATOM 0 HB ILE A 46 1.296 13.701 -1.788 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.108 11.290 -3.402 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.616 12.898 -3.880 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.922 11.479 -0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.605 12.338 -1.119 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.079 11.032 -2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.312 11.841 -2.422 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.610 13.269 -1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.095 11.636 -1.140 1.00 0.00 H new ATOM 711 N THR A 47 1.200 14.610 -5.342 1.00 0.00 N ATOM 712 CA THR A 47 1.733 15.765 -6.044 1.00 0.00 C ATOM 713 C THR A 47 0.610 16.743 -6.392 1.00 0.00 C ATOM 714 O THR A 47 0.720 17.940 -6.130 1.00 0.00 O ATOM 715 CB THR A 47 2.502 15.262 -7.267 1.00 0.00 C ATOM 716 OG1 THR A 47 3.829 15.065 -6.787 1.00 0.00 O ATOM 717 CG2 THR A 47 2.652 16.336 -8.347 1.00 0.00 C ATOM 0 H THR A 47 1.315 13.723 -5.832 1.00 0.00 H new ATOM 0 HA THR A 47 2.425 16.325 -5.415 1.00 0.00 H new ATOM 0 HB THR A 47 1.990 14.395 -7.685 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.296 15.926 -6.755 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.205 15.927 -9.193 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.665 16.657 -8.680 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.193 17.190 -7.939 1.00 0.00 H new ATOM 725 N MET A 48 -0.446 16.197 -6.978 1.00 0.00 N ATOM 726 CA MET A 48 -1.589 17.007 -7.365 1.00 0.00 C ATOM 727 C MET A 48 -2.473 17.320 -6.156 1.00 0.00 C ATOM 728 O MET A 48 -2.771 18.482 -5.885 1.00 0.00 O ATOM 729 CB MET A 48 -2.410 16.261 -8.419 1.00 0.00 C ATOM 730 CG MET A 48 -1.730 16.322 -9.788 1.00 0.00 C ATOM 731 SD MET A 48 -1.788 17.988 -10.425 1.00 0.00 S ATOM 732 CE MET A 48 -0.047 18.283 -10.683 1.00 0.00 C ATOM 0 H MET A 48 -0.534 15.204 -7.194 1.00 0.00 H new ATOM 0 HA MET A 48 -1.222 17.947 -7.776 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.536 15.221 -8.118 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.407 16.697 -8.484 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.695 15.992 -9.704 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.226 15.642 -10.480 1.00 0.00 H new ATOM 0 HE1 MET A 48 0.086 19.209 -11.243 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.455 18.366 -9.719 1.00 0.00 H new ATOM 0 HE3 MET A 48 0.383 17.454 -11.245 1.00 0.00 H new ATOM 742 N SER A 49 -2.870 16.263 -5.463 1.00 0.00 N ATOM 743 CA SER A 49 -3.714 16.410 -4.290 1.00 0.00 C ATOM 744 C SER A 49 -2.855 16.726 -3.063 1.00 0.00 C ATOM 745 O SER A 49 -2.380 15.817 -2.384 1.00 0.00 O ATOM 746 CB SER A 49 -4.544 15.149 -4.046 1.00 0.00 C ATOM 747 OG SER A 49 -5.204 14.707 -5.229 1.00 0.00 O ATOM 0 H SER A 49 -2.622 15.300 -5.692 1.00 0.00 H new ATOM 0 HA SER A 49 -4.403 17.236 -4.466 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.896 14.355 -3.674 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.284 15.346 -3.270 1.00 0.00 H new ATOM 0 HG SER A 49 -5.722 13.899 -5.032 1.00 0.00 H new ATOM 753 N GLU A 50 -2.683 18.016 -2.817 1.00 0.00 N ATOM 754 CA GLU A 50 -1.889 18.462 -1.685 1.00 0.00 C ATOM 755 C GLU A 50 -2.395 17.814 -0.394 1.00 0.00 C ATOM 756 O GLU A 50 -1.616 17.229 0.357 1.00 0.00 O ATOM 757 CB GLU A 50 -1.903 19.988 -1.573 1.00 0.00 C ATOM 758 CG GLU A 50 -0.976 20.464 -0.453 1.00 0.00 C ATOM 759 CD GLU A 50 -0.137 21.661 -0.907 1.00 0.00 C ATOM 760 OE1 GLU A 50 -0.670 22.789 -0.832 1.00 0.00 O ATOM 761 OE2 GLU A 50 1.018 21.420 -1.319 1.00 0.00 O ATOM 0 H GLU A 50 -3.080 18.767 -3.382 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.857 18.151 -1.845 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.591 20.429 -2.520 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.919 20.333 -1.380 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.567 20.740 0.420 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.319 19.649 -0.149 1.00 0.00 H new ATOM 768 N GLU A 51 -3.696 17.939 -0.177 1.00 0.00 N ATOM 769 CA GLU A 51 -4.314 17.373 1.010 1.00 0.00 C ATOM 770 C GLU A 51 -3.703 16.006 1.325 1.00 0.00 C ATOM 771 O GLU A 51 -3.116 15.816 2.390 1.00 0.00 O ATOM 772 CB GLU A 51 -5.831 17.269 0.841 1.00 0.00 C ATOM 773 CG GLU A 51 -6.521 17.064 2.191 1.00 0.00 C ATOM 774 CD GLU A 51 -7.986 16.665 2.004 1.00 0.00 C ATOM 775 OE1 GLU A 51 -8.767 17.549 1.592 1.00 0.00 O ATOM 776 OE2 GLU A 51 -8.292 15.484 2.278 1.00 0.00 O ATOM 0 H GLU A 51 -4.339 18.424 -0.803 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.120 18.039 1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.211 18.175 0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.070 16.439 0.177 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.999 16.292 2.756 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.462 17.982 2.776 1.00 0.00 H new ATOM 783 N GLN A 52 -3.862 15.090 0.382 1.00 0.00 N ATOM 784 CA GLN A 52 -3.333 13.746 0.546 1.00 0.00 C ATOM 785 C GLN A 52 -1.914 13.801 1.115 1.00 0.00 C ATOM 786 O GLN A 52 -1.625 13.170 2.131 1.00 0.00 O ATOM 787 CB GLN A 52 -3.364 12.979 -0.777 1.00 0.00 C ATOM 788 CG GLN A 52 -4.799 12.628 -1.174 1.00 0.00 C ATOM 789 CD GLN A 52 -5.408 11.623 -0.194 1.00 0.00 C ATOM 790 OE1 GLN A 52 -4.924 10.517 -0.016 1.00 0.00 O ATOM 791 NE2 GLN A 52 -6.495 12.067 0.431 1.00 0.00 N ATOM 0 H GLN A 52 -4.350 15.252 -0.499 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.967 13.210 1.253 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.903 13.580 -1.561 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.774 12.067 -0.686 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.406 13.533 -1.196 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.810 12.212 -2.181 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.848 13.004 0.236 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.975 11.471 1.105 1.00 0.00 H new ATOM 800 N ARG A 53 -1.067 14.560 0.436 1.00 0.00 N ATOM 801 CA ARG A 53 0.315 14.704 0.862 1.00 0.00 C ATOM 802 C ARG A 53 0.378 15.057 2.349 1.00 0.00 C ATOM 803 O ARG A 53 0.891 14.280 3.153 1.00 0.00 O ATOM 804 CB ARG A 53 1.028 15.792 0.056 1.00 0.00 C ATOM 805 CG ARG A 53 2.530 15.797 0.351 1.00 0.00 C ATOM 806 CD ARG A 53 3.294 16.589 -0.711 1.00 0.00 C ATOM 807 NE ARG A 53 4.229 17.536 -0.062 1.00 0.00 N ATOM 808 CZ ARG A 53 4.894 18.499 -0.713 1.00 0.00 C ATOM 809 NH1 ARG A 53 4.733 18.650 -2.035 1.00 0.00 N ATOM 810 NH2 ARG A 53 5.722 19.313 -0.042 1.00 0.00 N ATOM 0 H ARG A 53 -1.311 15.082 -0.406 1.00 0.00 H new ATOM 0 HA ARG A 53 0.817 13.752 0.690 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.863 15.628 -1.009 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.603 16.766 0.298 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.710 16.232 1.334 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.901 14.773 0.383 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.845 15.907 -1.358 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.594 17.133 -1.344 1.00 0.00 H new ATOM 0 HE ARG A 53 4.376 17.450 0.944 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.104 18.031 -2.546 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.240 19.384 -2.530 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.845 19.199 0.964 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.229 20.047 -0.538 1.00 0.00 H new ATOM 824 N GLN A 54 -0.151 16.228 2.670 1.00 0.00 N ATOM 825 CA GLN A 54 -0.162 16.692 4.047 1.00 0.00 C ATOM 826 C GLN A 54 -0.574 15.558 4.987 1.00 0.00 C ATOM 827 O GLN A 54 0.125 15.264 5.955 1.00 0.00 O ATOM 828 CB GLN A 54 -1.083 17.903 4.211 1.00 0.00 C ATOM 829 CG GLN A 54 -0.394 19.185 3.740 1.00 0.00 C ATOM 830 CD GLN A 54 0.949 19.377 4.448 1.00 0.00 C ATOM 831 OE1 GLN A 54 1.038 19.416 5.664 1.00 0.00 O ATOM 832 NE2 GLN A 54 1.984 19.496 3.622 1.00 0.00 N ATOM 0 H GLN A 54 -0.575 16.870 2.000 1.00 0.00 H new ATOM 0 HA GLN A 54 0.848 17.007 4.311 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -1.999 17.748 3.640 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.373 18.005 5.257 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.238 19.144 2.662 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.039 20.042 3.936 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.839 19.454 2.613 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.923 19.629 3.997 1.00 0.00 H new ATOM 841 N TRP A 55 -1.708 14.951 4.669 1.00 0.00 N ATOM 842 CA TRP A 55 -2.222 13.856 5.473 1.00 0.00 C ATOM 843 C TRP A 55 -1.075 12.876 5.726 1.00 0.00 C ATOM 844 O TRP A 55 -0.772 12.552 6.873 1.00 0.00 O ATOM 845 CB TRP A 55 -3.430 13.201 4.799 1.00 0.00 C ATOM 846 CG TRP A 55 -3.998 12.005 5.566 1.00 0.00 C ATOM 847 CD1 TRP A 55 -4.906 12.013 6.552 1.00 0.00 C ATOM 848 CD2 TRP A 55 -3.656 10.617 5.369 1.00 0.00 C ATOM 849 NE1 TRP A 55 -5.173 10.736 7.003 1.00 0.00 N ATOM 850 CE2 TRP A 55 -4.390 9.860 6.261 1.00 0.00 C ATOM 851 CE3 TRP A 55 -2.758 10.019 4.468 1.00 0.00 C ATOM 852 CZ2 TRP A 55 -4.300 8.465 6.338 1.00 0.00 C ATOM 853 CZ3 TRP A 55 -2.680 8.624 4.557 1.00 0.00 C ATOM 854 CH2 TRP A 55 -3.411 7.849 5.449 1.00 0.00 C ATOM 0 H TRP A 55 -2.285 15.197 3.865 1.00 0.00 H new ATOM 0 HA TRP A 55 -2.586 14.221 6.433 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -4.215 13.948 4.678 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -3.143 12.875 3.799 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -5.370 12.906 6.944 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -5.825 10.482 7.745 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.174 10.591 3.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -4.885 7.895 7.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.005 8.115 3.886 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -3.294 6.775 5.457 1.00 0.00 H new ATOM 865 N MET A 56 -0.467 12.432 4.635 1.00 0.00 N ATOM 866 CA MET A 56 0.641 11.496 4.725 1.00 0.00 C ATOM 867 C MET A 56 1.650 11.940 5.785 1.00 0.00 C ATOM 868 O MET A 56 1.978 11.178 6.693 1.00 0.00 O ATOM 869 CB MET A 56 1.338 11.398 3.366 1.00 0.00 C ATOM 870 CG MET A 56 2.288 10.200 3.322 1.00 0.00 C ATOM 871 SD MET A 56 2.989 10.036 1.689 1.00 0.00 S ATOM 872 CE MET A 56 3.991 11.512 1.632 1.00 0.00 C ATOM 0 H MET A 56 -0.721 12.703 3.685 1.00 0.00 H new ATOM 0 HA MET A 56 0.246 10.522 5.012 1.00 0.00 H new ATOM 0 HB2 MET A 56 0.592 11.304 2.577 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.894 12.315 3.172 1.00 0.00 H new ATOM 0 HG2 MET A 56 3.083 10.329 4.057 1.00 0.00 H new ATOM 0 HG3 MET A 56 1.751 9.290 3.589 1.00 0.00 H new ATOM 0 HE1 MET A 56 4.788 11.382 0.900 1.00 0.00 H new ATOM 0 HE2 MET A 56 3.371 12.362 1.346 1.00 0.00 H new ATOM 0 HE3 MET A 56 4.426 11.694 2.615 1.00 0.00 H new ATOM 882 N TYR A 57 2.114 13.172 5.636 1.00 0.00 N ATOM 883 CA TYR A 57 3.079 13.727 6.569 1.00 0.00 C ATOM 884 C TYR A 57 2.563 13.641 8.007 1.00 0.00 C ATOM 885 O TYR A 57 3.337 13.760 8.956 1.00 0.00 O ATOM 886 CB TYR A 57 3.240 15.199 6.185 1.00 0.00 C ATOM 887 CG TYR A 57 4.182 15.435 5.003 1.00 0.00 C ATOM 888 CD1 TYR A 57 4.225 14.529 3.963 1.00 0.00 C ATOM 889 CD2 TYR A 57 4.990 16.553 4.977 1.00 0.00 C ATOM 890 CE1 TYR A 57 5.113 14.750 2.851 1.00 0.00 C ATOM 891 CE2 TYR A 57 5.878 16.775 3.865 1.00 0.00 C ATOM 892 CZ TYR A 57 5.895 15.863 2.857 1.00 0.00 C ATOM 893 OH TYR A 57 6.733 16.072 1.807 1.00 0.00 O ATOM 0 H TYR A 57 1.839 13.802 4.882 1.00 0.00 H new ATOM 0 HA TYR A 57 4.019 13.177 6.520 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.260 15.610 5.943 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.612 15.750 7.048 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.592 13.654 3.983 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.957 17.262 5.791 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.157 14.048 2.031 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.516 17.646 3.833 1.00 0.00 H new ATOM 0 HH TYR A 57 7.230 16.905 1.946 1.00 0.00 H new ATOM 903 N LYS A 58 1.259 13.435 8.123 1.00 0.00 N ATOM 904 CA LYS A 58 0.631 13.332 9.429 1.00 0.00 C ATOM 905 C LYS A 58 0.431 11.856 9.778 1.00 0.00 C ATOM 906 O LYS A 58 0.202 11.514 10.938 1.00 0.00 O ATOM 907 CB LYS A 58 -0.659 14.153 9.469 1.00 0.00 C ATOM 908 CG LYS A 58 -0.412 15.586 8.993 1.00 0.00 C ATOM 909 CD LYS A 58 -1.159 16.592 9.872 1.00 0.00 C ATOM 910 CE LYS A 58 -1.414 17.897 9.116 1.00 0.00 C ATOM 911 NZ LYS A 58 -0.210 18.757 9.143 1.00 0.00 N ATOM 0 H LYS A 58 0.620 13.337 7.334 1.00 0.00 H new ATOM 0 HA LYS A 58 1.277 13.758 10.197 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.414 13.682 8.839 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.054 14.166 10.485 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.656 15.801 9.015 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.737 15.690 7.958 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.108 16.164 10.196 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.578 16.796 10.771 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.689 17.678 8.084 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.255 18.425 9.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.401 19.638 8.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.035 18.981 10.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.584 18.257 8.694 1.00 0.00 H new ATOM 925 N ASN A 59 0.527 11.020 8.755 1.00 0.00 N ATOM 926 CA ASN A 59 0.359 9.588 8.939 1.00 0.00 C ATOM 927 C ASN A 59 1.685 8.883 8.648 1.00 0.00 C ATOM 928 O ASN A 59 1.712 7.866 7.956 1.00 0.00 O ATOM 929 CB ASN A 59 -0.695 9.029 7.982 1.00 0.00 C ATOM 930 CG ASN A 59 -2.078 9.606 8.291 1.00 0.00 C ATOM 931 OD1 ASN A 59 -3.042 8.892 8.510 1.00 0.00 O ATOM 932 ND2 ASN A 59 -2.120 10.935 8.296 1.00 0.00 N ATOM 0 H ASN A 59 0.719 11.307 7.795 1.00 0.00 H new ATOM 0 HA ASN A 59 0.039 9.415 9.967 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.420 9.265 6.954 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.724 7.942 8.062 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.998 11.417 8.492 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.275 11.473 8.104 1.00 0.00 H new ATOM 939 N VAL A 60 2.753 9.450 9.190 1.00 0.00 N ATOM 940 CA VAL A 60 4.079 8.888 8.996 1.00 0.00 C ATOM 941 C VAL A 60 4.989 9.333 10.143 1.00 0.00 C ATOM 942 O VAL A 60 5.261 10.523 10.298 1.00 0.00 O ATOM 943 CB VAL A 60 4.617 9.280 7.619 1.00 0.00 C ATOM 944 CG1 VAL A 60 6.092 8.898 7.478 1.00 0.00 C ATOM 945 CG2 VAL A 60 3.779 8.653 6.503 1.00 0.00 C ATOM 0 H VAL A 60 2.727 10.293 9.764 1.00 0.00 H new ATOM 0 HA VAL A 60 4.039 7.799 9.016 1.00 0.00 H new ATOM 0 HB VAL A 60 4.541 10.363 7.526 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.450 9.188 6.490 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.676 9.413 8.241 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.202 7.821 7.603 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.183 8.948 5.535 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.808 7.567 6.593 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.748 8.997 6.585 1.00 0.00 H new ATOM 955 N PRO A 61 5.445 8.328 10.937 1.00 0.00 N ATOM 956 CA PRO A 61 6.319 8.604 12.065 1.00 0.00 C ATOM 957 C PRO A 61 7.739 8.923 11.593 1.00 0.00 C ATOM 958 O PRO A 61 8.063 8.743 10.420 1.00 0.00 O ATOM 959 CB PRO A 61 6.247 7.358 12.932 1.00 0.00 C ATOM 960 CG PRO A 61 5.709 6.256 12.034 1.00 0.00 C ATOM 961 CD PRO A 61 5.143 6.908 10.783 1.00 0.00 C ATOM 0 HA PRO A 61 6.012 9.484 12.630 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.230 7.097 13.324 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.594 7.516 13.790 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.502 5.555 11.774 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.936 5.686 12.550 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.602 6.501 9.882 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.070 6.738 10.699 1.00 0.00 H new ATOM 969 N PRO A 62 8.570 9.404 12.556 1.00 0.00 N ATOM 970 CA PRO A 62 9.948 9.750 12.251 1.00 0.00 C ATOM 971 C PRO A 62 10.806 8.494 12.090 1.00 0.00 C ATOM 972 O PRO A 62 11.791 8.500 11.352 1.00 0.00 O ATOM 973 CB PRO A 62 10.397 10.632 13.405 1.00 0.00 C ATOM 974 CG PRO A 62 9.417 10.369 14.536 1.00 0.00 C ATOM 975 CD PRO A 62 8.221 9.631 13.955 1.00 0.00 C ATOM 0 HA PRO A 62 10.049 10.276 11.302 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.416 10.391 13.707 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.390 11.684 13.119 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.888 9.775 15.319 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.101 11.307 14.993 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.044 8.690 14.477 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.309 10.222 14.045 1.00 0.00 H new ATOM 983 N GLU A 63 10.401 7.446 12.792 1.00 0.00 N ATOM 984 CA GLU A 63 11.121 6.185 12.736 1.00 0.00 C ATOM 985 C GLU A 63 10.945 5.533 11.363 1.00 0.00 C ATOM 986 O GLU A 63 11.756 4.702 10.958 1.00 0.00 O ATOM 987 CB GLU A 63 10.664 5.243 13.852 1.00 0.00 C ATOM 988 CG GLU A 63 9.466 4.403 13.405 1.00 0.00 C ATOM 989 CD GLU A 63 8.767 3.762 14.605 1.00 0.00 C ATOM 990 OE1 GLU A 63 9.492 3.177 15.438 1.00 0.00 O ATOM 991 OE2 GLU A 63 7.523 3.870 14.662 1.00 0.00 O ATOM 0 H GLU A 63 9.584 7.444 13.402 1.00 0.00 H new ATOM 0 HA GLU A 63 12.181 6.388 12.887 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.486 4.587 14.138 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.397 5.823 14.735 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.760 5.031 12.861 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.799 3.627 12.716 1.00 0.00 H new ATOM 998 N LYS A 64 9.881 5.937 10.684 1.00 0.00 N ATOM 999 CA LYS A 64 9.589 5.403 9.365 1.00 0.00 C ATOM 1000 C LYS A 64 10.125 6.363 8.301 1.00 0.00 C ATOM 1001 O LYS A 64 10.540 5.934 7.225 1.00 0.00 O ATOM 1002 CB LYS A 64 8.094 5.105 9.227 1.00 0.00 C ATOM 1003 CG LYS A 64 7.666 3.994 10.188 1.00 0.00 C ATOM 1004 CD LYS A 64 8.219 2.639 9.742 1.00 0.00 C ATOM 1005 CE LYS A 64 7.356 1.493 10.274 1.00 0.00 C ATOM 1006 NZ LYS A 64 8.204 0.344 10.663 1.00 0.00 N ATOM 0 H LYS A 64 9.211 6.628 11.023 1.00 0.00 H new ATOM 0 HA LYS A 64 10.096 4.449 9.219 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.519 6.008 9.431 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.871 4.810 8.202 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.020 4.222 11.193 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.578 3.949 10.236 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.255 2.597 8.653 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.242 2.524 10.099 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.778 1.833 11.133 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.641 1.184 9.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.603 -0.425 11.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.737 0.010 9.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.869 0.639 11.406 1.00 0.00 H new ATOM 1020 N LYS A 65 10.099 7.644 8.638 1.00 0.00 N ATOM 1021 CA LYS A 65 10.577 8.668 7.725 1.00 0.00 C ATOM 1022 C LYS A 65 11.865 8.186 7.054 1.00 0.00 C ATOM 1023 O LYS A 65 12.787 7.730 7.728 1.00 0.00 O ATOM 1024 CB LYS A 65 10.726 10.006 8.451 1.00 0.00 C ATOM 1025 CG LYS A 65 9.405 10.779 8.453 1.00 0.00 C ATOM 1026 CD LYS A 65 9.493 12.014 9.352 1.00 0.00 C ATOM 1027 CE LYS A 65 8.211 12.192 10.166 1.00 0.00 C ATOM 1028 NZ LYS A 65 8.285 13.420 10.989 1.00 0.00 N ATOM 0 H LYS A 65 9.754 7.996 9.531 1.00 0.00 H new ATOM 0 HA LYS A 65 9.849 8.841 6.932 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.052 9.833 9.477 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.500 10.602 7.967 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.156 11.082 7.436 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.600 10.130 8.799 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.345 11.918 10.025 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.667 12.901 8.742 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.353 12.247 9.496 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.058 11.325 10.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.406 13.525 11.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.092 13.353 11.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.409 14.246 10.370 1.00 0.00 H new ATOM 1042 N PRO A 66 11.887 8.306 5.699 1.00 0.00 N ATOM 1043 CA PRO A 66 13.047 7.888 4.930 1.00 0.00 C ATOM 1044 C PRO A 66 14.191 8.893 5.073 1.00 0.00 C ATOM 1045 O PRO A 66 15.062 8.731 5.926 1.00 0.00 O ATOM 1046 CB PRO A 66 12.545 7.758 3.501 1.00 0.00 C ATOM 1047 CG PRO A 66 11.250 8.552 3.441 1.00 0.00 C ATOM 1048 CD PRO A 66 10.813 8.841 4.868 1.00 0.00 C ATOM 0 HA PRO A 66 13.465 6.944 5.279 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.276 8.149 2.793 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.375 6.713 3.240 1.00 0.00 H new ATOM 0 HG2 PRO A 66 11.398 9.482 2.891 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.481 7.988 2.913 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.680 9.910 5.033 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.860 8.362 5.095 1.00 0.00 H new ATOM 1056 N THR A 67 14.152 9.910 4.225 1.00 0.00 N ATOM 1057 CA THR A 67 15.175 10.942 4.245 1.00 0.00 C ATOM 1058 C THR A 67 15.197 11.644 5.605 1.00 0.00 C ATOM 1059 O THR A 67 14.581 11.174 6.560 1.00 0.00 O ATOM 1060 CB THR A 67 14.912 11.892 3.076 1.00 0.00 C ATOM 1061 OG1 THR A 67 13.500 11.837 2.894 1.00 0.00 O ATOM 1062 CG2 THR A 67 15.478 11.367 1.755 1.00 0.00 C ATOM 0 H THR A 67 13.428 10.042 3.519 1.00 0.00 H new ATOM 0 HA THR A 67 16.170 10.515 4.118 1.00 0.00 H new ATOM 0 HB THR A 67 15.348 12.866 3.296 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.160 12.735 2.700 1.00 0.00 H new ATOM 0 HG21 THR A 67 15.264 12.080 0.959 1.00 0.00 H new ATOM 0 HG22 THR A 67 16.557 11.239 1.847 1.00 0.00 H new ATOM 0 HG23 THR A 67 15.018 10.408 1.517 1.00 0.00 H new ATOM 1070 N GLN A 68 15.914 12.757 5.649 1.00 0.00 N ATOM 1071 CA GLN A 68 16.024 13.528 6.875 1.00 0.00 C ATOM 1072 C GLN A 68 15.126 14.765 6.807 1.00 0.00 C ATOM 1073 O GLN A 68 15.519 15.793 6.257 1.00 0.00 O ATOM 1074 CB GLN A 68 17.478 13.920 7.147 1.00 0.00 C ATOM 1075 CG GLN A 68 18.437 12.818 6.693 1.00 0.00 C ATOM 1076 CD GLN A 68 18.364 11.608 7.627 1.00 0.00 C ATOM 1077 OE1 GLN A 68 17.311 11.232 8.116 1.00 0.00 O ATOM 1078 NE2 GLN A 68 19.537 11.023 7.847 1.00 0.00 N ATOM 0 H GLN A 68 16.425 13.143 4.855 1.00 0.00 H new ATOM 0 HA GLN A 68 15.689 12.905 7.704 1.00 0.00 H new ATOM 0 HB2 GLN A 68 17.712 14.848 6.625 1.00 0.00 H new ATOM 0 HB3 GLN A 68 17.614 14.110 8.212 1.00 0.00 H new ATOM 0 HG2 GLN A 68 18.190 12.512 5.676 1.00 0.00 H new ATOM 0 HG3 GLN A 68 19.456 13.204 6.671 1.00 0.00 H new ATOM 0 HE21 GLN A 68 20.380 11.389 7.406 1.00 0.00 H new ATOM 0 HE22 GLN A 68 19.594 10.208 8.457 1.00 0.00 H new ATOM 1087 N GLY A 69 13.937 14.626 7.375 1.00 0.00 N ATOM 1088 CA GLY A 69 12.981 15.719 7.386 1.00 0.00 C ATOM 1089 C GLY A 69 11.552 15.199 7.214 1.00 0.00 C ATOM 1090 O GLY A 69 11.043 14.476 8.069 1.00 0.00 O ATOM 0 H GLY A 69 13.614 13.773 7.831 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.062 16.268 8.324 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.216 16.420 6.585 1.00 0.00 H new ATOM 1094 N ASN A 70 10.945 15.588 6.102 1.00 0.00 N ATOM 1095 CA ASN A 70 9.585 15.170 5.807 1.00 0.00 C ATOM 1096 C ASN A 70 9.615 13.814 5.100 1.00 0.00 C ATOM 1097 O ASN A 70 10.625 13.442 4.505 1.00 0.00 O ATOM 1098 CB ASN A 70 8.890 16.171 4.881 1.00 0.00 C ATOM 1099 CG ASN A 70 9.618 16.273 3.539 1.00 0.00 C ATOM 1100 OD1 ASN A 70 9.818 15.297 2.836 1.00 0.00 O ATOM 1101 ND2 ASN A 70 10.003 17.507 3.226 1.00 0.00 N ATOM 0 H ASN A 70 11.370 16.188 5.395 1.00 0.00 H new ATOM 0 HA ASN A 70 9.039 15.110 6.748 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.857 15.863 4.716 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.858 17.151 5.357 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.498 17.680 2.351 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.803 18.280 3.861 1.00 0.00 H new ATOM 1108 N PRO A 71 8.465 13.092 5.192 1.00 0.00 N ATOM 1109 CA PRO A 71 8.351 11.785 4.568 1.00 0.00 C ATOM 1110 C PRO A 71 8.191 11.913 3.052 1.00 0.00 C ATOM 1111 O PRO A 71 7.604 12.879 2.565 1.00 0.00 O ATOM 1112 CB PRO A 71 7.153 11.133 5.239 1.00 0.00 C ATOM 1113 CG PRO A 71 6.363 12.266 5.875 1.00 0.00 C ATOM 1114 CD PRO A 71 7.249 13.501 5.888 1.00 0.00 C ATOM 0 HA PRO A 71 9.245 11.176 4.700 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.545 10.593 4.513 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.472 10.410 5.990 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.449 12.457 5.312 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.063 12.000 6.889 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.767 14.339 5.384 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.465 13.823 6.907 1.00 0.00 H new ATOM 1122 N LEU A 72 8.722 10.925 2.347 1.00 0.00 N ATOM 1123 CA LEU A 72 8.646 10.915 0.896 1.00 0.00 C ATOM 1124 C LEU A 72 8.112 9.560 0.427 1.00 0.00 C ATOM 1125 O LEU A 72 8.186 8.573 1.158 1.00 0.00 O ATOM 1126 CB LEU A 72 9.998 11.288 0.286 1.00 0.00 C ATOM 1127 CG LEU A 72 10.517 12.690 0.611 1.00 0.00 C ATOM 1128 CD1 LEU A 72 11.979 12.846 0.187 1.00 0.00 C ATOM 1129 CD2 LEU A 72 9.623 13.764 -0.010 1.00 0.00 C ATOM 0 H LEU A 72 9.207 10.125 2.754 1.00 0.00 H new ATOM 0 HA LEU A 72 7.945 11.673 0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.738 10.561 0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.924 11.192 -0.797 1.00 0.00 H new ATOM 0 HG LEU A 72 10.479 12.825 1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.323 13.852 0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.591 12.116 0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 72 12.066 12.682 -0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.015 14.751 0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.605 13.641 -1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.611 13.667 0.383 1.00 0.00 H new ATOM 1141 N PRO A 73 7.573 9.555 -0.821 1.00 0.00 N ATOM 1142 CA PRO A 73 7.027 8.337 -1.396 1.00 0.00 C ATOM 1143 C PRO A 73 8.145 7.391 -1.838 1.00 0.00 C ATOM 1144 O PRO A 73 9.314 7.773 -1.860 1.00 0.00 O ATOM 1145 CB PRO A 73 6.153 8.804 -2.549 1.00 0.00 C ATOM 1146 CG PRO A 73 6.606 10.220 -2.869 1.00 0.00 C ATOM 1147 CD PRO A 73 7.469 10.705 -1.715 1.00 0.00 C ATOM 0 HA PRO A 73 6.443 7.758 -0.680 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.268 8.152 -3.415 1.00 0.00 H new ATOM 0 HB3 PRO A 73 5.099 8.784 -2.273 1.00 0.00 H new ATOM 0 HG2 PRO A 73 7.170 10.239 -3.802 1.00 0.00 H new ATOM 0 HG3 PRO A 73 5.745 10.875 -3.004 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.451 11.026 -2.063 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.014 11.558 -1.212 1.00 0.00 H new ATOM 1155 N PRO A 74 7.736 6.142 -2.189 1.00 0.00 N ATOM 1156 CA PRO A 74 6.332 5.772 -2.134 1.00 0.00 C ATOM 1157 C PRO A 74 5.878 5.553 -0.689 1.00 0.00 C ATOM 1158 O PRO A 74 6.700 5.304 0.192 1.00 0.00 O ATOM 1159 CB PRO A 74 6.222 4.519 -2.988 1.00 0.00 C ATOM 1160 CG PRO A 74 7.635 3.971 -3.107 1.00 0.00 C ATOM 1161 CD PRO A 74 8.596 5.054 -2.644 1.00 0.00 C ATOM 0 HA PRO A 74 5.675 6.555 -2.513 1.00 0.00 H new ATOM 0 HB2 PRO A 74 5.557 3.789 -2.526 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.809 4.750 -3.970 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.749 3.074 -2.498 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.848 3.686 -4.137 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.240 4.695 -1.841 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.249 5.378 -3.455 1.00 0.00 H new ATOM 1169 N GLN A 75 4.572 5.653 -0.491 1.00 0.00 N ATOM 1170 CA GLN A 75 3.999 5.469 0.831 1.00 0.00 C ATOM 1171 C GLN A 75 2.688 4.686 0.737 1.00 0.00 C ATOM 1172 O GLN A 75 1.616 5.277 0.618 1.00 0.00 O ATOM 1173 CB GLN A 75 3.787 6.814 1.529 1.00 0.00 C ATOM 1174 CG GLN A 75 5.125 7.469 1.876 1.00 0.00 C ATOM 1175 CD GLN A 75 5.457 7.286 3.359 1.00 0.00 C ATOM 1176 OE1 GLN A 75 4.588 7.130 4.201 1.00 0.00 O ATOM 1177 NE2 GLN A 75 6.759 7.315 3.629 1.00 0.00 N ATOM 0 H GLN A 75 3.894 5.859 -1.225 1.00 0.00 H new ATOM 0 HA GLN A 75 4.701 4.892 1.433 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.211 7.476 0.883 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.203 6.668 2.438 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.916 7.033 1.266 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.087 8.532 1.637 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.433 7.449 2.876 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.083 7.203 4.590 1.00 0.00 H new ATOM 1186 N ILE A 76 2.816 3.369 0.795 1.00 0.00 N ATOM 1187 CA ILE A 76 1.655 2.500 0.718 1.00 0.00 C ATOM 1188 C ILE A 76 0.747 2.761 1.921 1.00 0.00 C ATOM 1189 O ILE A 76 1.222 3.133 2.993 1.00 0.00 O ATOM 1190 CB ILE A 76 2.087 1.039 0.580 1.00 0.00 C ATOM 1191 CG1 ILE A 76 2.705 0.777 -0.795 1.00 0.00 C ATOM 1192 CG2 ILE A 76 0.922 0.092 0.875 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.213 0.544 -0.684 1.00 0.00 C ATOM 0 H ILE A 76 3.707 2.882 0.895 1.00 0.00 H new ATOM 0 HA ILE A 76 1.072 2.722 -0.176 1.00 0.00 H new ATOM 0 HB ILE A 76 2.859 0.840 1.323 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.232 -0.093 -1.250 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.512 1.625 -1.452 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.256 -0.940 0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.568 0.257 1.893 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.110 0.284 0.173 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.627 0.360 -1.676 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.686 1.425 -0.251 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.402 -0.320 -0.046 1.00 0.00 H new ATOM 1205 N PHE A 77 -0.544 2.556 1.704 1.00 0.00 N ATOM 1206 CA PHE A 77 -1.523 2.766 2.757 1.00 0.00 C ATOM 1207 C PHE A 77 -2.809 1.986 2.473 1.00 0.00 C ATOM 1208 O PHE A 77 -3.453 2.198 1.447 1.00 0.00 O ATOM 1209 CB PHE A 77 -1.842 4.262 2.780 1.00 0.00 C ATOM 1210 CG PHE A 77 -0.901 5.085 3.662 1.00 0.00 C ATOM 1211 CD1 PHE A 77 -0.989 4.999 5.017 1.00 0.00 C ATOM 1212 CD2 PHE A 77 0.023 5.903 3.092 1.00 0.00 C ATOM 1213 CE1 PHE A 77 -0.116 5.763 5.835 1.00 0.00 C ATOM 1214 CE2 PHE A 77 0.897 6.668 3.910 1.00 0.00 C ATOM 1215 CZ PHE A 77 0.809 6.581 5.264 1.00 0.00 C ATOM 0 H PHE A 77 -0.935 2.247 0.814 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.124 2.421 3.711 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.799 4.648 1.762 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.865 4.400 3.130 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.723 4.349 5.470 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.093 5.971 2.016 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.186 5.695 6.911 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.631 7.318 3.457 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.474 7.162 5.887 1.00 0.00 H new ATOM 1225 N ASN A 78 -3.143 1.101 3.401 1.00 0.00 N ATOM 1226 CA ASN A 78 -4.340 0.289 3.263 1.00 0.00 C ATOM 1227 C ASN A 78 -5.530 1.035 3.870 1.00 0.00 C ATOM 1228 O ASN A 78 -5.665 1.107 5.091 1.00 0.00 O ATOM 1229 CB ASN A 78 -4.190 -1.043 4.002 1.00 0.00 C ATOM 1230 CG ASN A 78 -2.968 -1.814 3.500 1.00 0.00 C ATOM 1231 OD1 ASN A 78 -1.896 -1.266 3.297 1.00 0.00 O ATOM 1232 ND2 ASN A 78 -3.187 -3.112 3.312 1.00 0.00 N ATOM 0 H ASN A 78 -2.606 0.929 4.251 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.497 0.097 2.202 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -4.095 -0.860 5.072 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -5.088 -1.645 3.860 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -2.434 -3.713 2.979 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -4.108 -3.506 3.501 1.00 0.00 H new ATOM 1239 N GLY A 79 -6.362 1.572 2.991 1.00 0.00 N ATOM 1240 CA GLY A 79 -7.536 2.310 3.425 1.00 0.00 C ATOM 1241 C GLY A 79 -7.213 3.194 4.631 1.00 0.00 C ATOM 1242 O GLY A 79 -7.799 3.030 5.700 1.00 0.00 O ATOM 0 H GLY A 79 -6.247 1.511 1.979 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.905 2.927 2.606 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.333 1.613 3.684 1.00 0.00 H new ATOM 1246 N ASP A 80 -6.281 4.111 4.420 1.00 0.00 N ATOM 1247 CA ASP A 80 -5.873 5.021 5.476 1.00 0.00 C ATOM 1248 C ASP A 80 -4.788 4.355 6.326 1.00 0.00 C ATOM 1249 O ASP A 80 -3.795 4.989 6.678 1.00 0.00 O ATOM 1250 CB ASP A 80 -7.049 5.363 6.394 1.00 0.00 C ATOM 1251 CG ASP A 80 -6.953 6.722 7.090 1.00 0.00 C ATOM 1252 OD1 ASP A 80 -7.107 7.737 6.377 1.00 0.00 O ATOM 1253 OD2 ASP A 80 -6.727 6.715 8.319 1.00 0.00 O ATOM 0 H ASP A 80 -5.796 4.243 3.532 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.502 5.934 5.010 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.968 5.336 5.808 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.134 4.587 7.155 1.00 0.00 H new ATOM 1258 N ARG A 81 -5.016 3.086 6.630 1.00 0.00 N ATOM 1259 CA ARG A 81 -4.070 2.328 7.432 1.00 0.00 C ATOM 1260 C ARG A 81 -2.673 2.399 6.812 1.00 0.00 C ATOM 1261 O ARG A 81 -2.523 2.292 5.596 1.00 0.00 O ATOM 1262 CB ARG A 81 -4.496 0.863 7.546 1.00 0.00 C ATOM 1263 CG ARG A 81 -3.916 0.220 8.808 1.00 0.00 C ATOM 1264 CD ARG A 81 -5.009 -0.475 9.622 1.00 0.00 C ATOM 1265 NE ARG A 81 -5.145 -1.883 9.188 1.00 0.00 N ATOM 1266 CZ ARG A 81 -4.185 -2.808 9.326 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -3.014 -2.479 9.886 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -4.397 -4.062 8.903 1.00 0.00 N ATOM 0 H ARG A 81 -5.841 2.564 6.336 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.052 2.768 8.429 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.584 0.797 7.567 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.161 0.313 6.666 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -3.148 -0.503 8.532 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.432 0.982 9.419 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.764 -0.435 10.683 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.957 0.047 9.493 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.024 -2.167 8.757 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.853 -1.525 10.207 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.283 -3.183 9.991 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.289 -4.312 8.476 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.666 -4.766 9.008 1.00 0.00 H new ATOM 1282 N TYR A 82 -1.686 2.577 7.678 1.00 0.00 N ATOM 1283 CA TYR A 82 -0.306 2.664 7.231 1.00 0.00 C ATOM 1284 C TYR A 82 0.340 1.278 7.176 1.00 0.00 C ATOM 1285 O TYR A 82 0.214 0.493 8.115 1.00 0.00 O ATOM 1286 CB TYR A 82 0.423 3.512 8.275 1.00 0.00 C ATOM 1287 CG TYR A 82 1.853 3.889 7.882 1.00 0.00 C ATOM 1288 CD1 TYR A 82 2.174 4.089 6.554 1.00 0.00 C ATOM 1289 CD2 TYR A 82 2.822 4.029 8.855 1.00 0.00 C ATOM 1290 CE1 TYR A 82 3.520 4.444 6.185 1.00 0.00 C ATOM 1291 CE2 TYR A 82 4.168 4.384 8.485 1.00 0.00 C ATOM 1292 CZ TYR A 82 4.450 4.574 7.168 1.00 0.00 C ATOM 1293 OH TYR A 82 5.721 4.909 6.819 1.00 0.00 O ATOM 0 H TYR A 82 -1.814 2.663 8.686 1.00 0.00 H new ATOM 0 HA TYR A 82 -0.253 3.095 6.231 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -0.147 4.424 8.450 1.00 0.00 H new ATOM 0 HB3 TYR A 82 0.448 2.966 9.218 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.416 3.979 5.792 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.571 3.872 9.894 1.00 0.00 H new ATOM 0 HE1 TYR A 82 3.785 4.603 5.150 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.936 4.497 9.236 1.00 0.00 H new ATOM 0 HH TYR A 82 6.024 5.661 7.370 1.00 0.00 H new ATOM 1303 N CYS A 83 1.018 1.019 6.068 1.00 0.00 N ATOM 1304 CA CYS A 83 1.685 -0.258 5.878 1.00 0.00 C ATOM 1305 C CYS A 83 3.195 -0.026 5.944 1.00 0.00 C ATOM 1306 O CYS A 83 3.842 -0.398 6.922 1.00 0.00 O ATOM 1307 CB CYS A 83 1.266 -0.925 4.567 1.00 0.00 C ATOM 1308 SG CYS A 83 0.136 -2.324 4.909 1.00 0.00 S ATOM 0 H CYS A 83 1.120 1.673 5.292 1.00 0.00 H new ATOM 0 HA CYS A 83 1.390 -0.947 6.670 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.773 -0.198 3.921 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.147 -1.281 4.033 1.00 0.00 H new ATOM 0 HG CYS A 83 -0.790 -2.366 3.998 1.00 0.00 H new ATOM 1314 N GLY A 84 3.714 0.587 4.890 1.00 0.00 N ATOM 1315 CA GLY A 84 5.137 0.872 4.815 1.00 0.00 C ATOM 1316 C GLY A 84 5.505 1.473 3.457 1.00 0.00 C ATOM 1317 O GLY A 84 4.720 1.408 2.512 1.00 0.00 O ATOM 0 H GLY A 84 3.174 0.894 4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.415 1.564 5.610 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.704 -0.045 4.977 1.00 0.00 H new ATOM 1321 N ASP A 85 6.699 2.044 3.403 1.00 0.00 N ATOM 1322 CA ASP A 85 7.181 2.656 2.176 1.00 0.00 C ATOM 1323 C ASP A 85 7.886 1.597 1.326 1.00 0.00 C ATOM 1324 O ASP A 85 7.769 0.402 1.593 1.00 0.00 O ATOM 1325 CB ASP A 85 8.187 3.770 2.474 1.00 0.00 C ATOM 1326 CG ASP A 85 9.616 3.295 2.746 1.00 0.00 C ATOM 1327 OD1 ASP A 85 9.750 2.156 3.244 1.00 0.00 O ATOM 1328 OD2 ASP A 85 10.541 4.081 2.450 1.00 0.00 O ATOM 0 H ASP A 85 7.347 2.096 4.189 1.00 0.00 H new ATOM 0 HA ASP A 85 6.324 3.076 1.649 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.204 4.459 1.630 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.837 4.334 3.339 1.00 0.00 H new ATOM 1333 N TYR A 86 8.603 2.074 0.318 1.00 0.00 N ATOM 1334 CA TYR A 86 9.326 1.184 -0.573 1.00 0.00 C ATOM 1335 C TYR A 86 10.170 0.182 0.219 1.00 0.00 C ATOM 1336 O TYR A 86 10.084 -1.024 -0.008 1.00 0.00 O ATOM 1337 CB TYR A 86 10.256 2.076 -1.397 1.00 0.00 C ATOM 1338 CG TYR A 86 11.320 1.308 -2.184 1.00 0.00 C ATOM 1339 CD1 TYR A 86 10.973 0.638 -3.340 1.00 0.00 C ATOM 1340 CD2 TYR A 86 12.626 1.285 -1.739 1.00 0.00 C ATOM 1341 CE1 TYR A 86 11.974 -0.085 -4.081 1.00 0.00 C ATOM 1342 CE2 TYR A 86 13.627 0.562 -2.480 1.00 0.00 C ATOM 1343 CZ TYR A 86 13.251 -0.088 -3.614 1.00 0.00 C ATOM 1344 OH TYR A 86 14.196 -0.771 -4.314 1.00 0.00 O ATOM 0 H TYR A 86 8.698 3.066 0.099 1.00 0.00 H new ATOM 0 HA TYR A 86 8.633 0.616 -1.194 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.657 2.663 -2.093 1.00 0.00 H new ATOM 0 HB3 TYR A 86 10.751 2.781 -0.730 1.00 0.00 H new ATOM 0 HD1 TYR A 86 9.951 0.656 -3.689 1.00 0.00 H new ATOM 0 HD2 TYR A 86 12.898 1.809 -0.835 1.00 0.00 H new ATOM 0 HE1 TYR A 86 11.716 -0.613 -4.987 1.00 0.00 H new ATOM 0 HE2 TYR A 86 14.653 0.537 -2.143 1.00 0.00 H new ATOM 0 HH TYR A 86 14.265 -1.684 -3.965 1.00 0.00 H new ATOM 1354 N ASP A 87 10.965 0.719 1.132 1.00 0.00 N ATOM 1355 CA ASP A 87 11.824 -0.112 1.959 1.00 0.00 C ATOM 1356 C ASP A 87 11.069 -1.384 2.352 1.00 0.00 C ATOM 1357 O ASP A 87 11.459 -2.485 1.966 1.00 0.00 O ATOM 1358 CB ASP A 87 12.224 0.616 3.244 1.00 0.00 C ATOM 1359 CG ASP A 87 13.723 0.614 3.548 1.00 0.00 C ATOM 1360 OD1 ASP A 87 14.432 1.425 2.914 1.00 0.00 O ATOM 1361 OD2 ASP A 87 14.127 -0.199 4.408 1.00 0.00 O ATOM 0 H ASP A 87 11.033 1.720 1.318 1.00 0.00 H new ATOM 0 HA ASP A 87 12.720 -0.348 1.385 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.883 1.649 3.180 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.698 0.158 4.082 1.00 0.00 H new ATOM 1366 N SER A 88 10.003 -1.190 3.113 1.00 0.00 N ATOM 1367 CA SER A 88 9.191 -2.308 3.562 1.00 0.00 C ATOM 1368 C SER A 88 8.817 -3.195 2.373 1.00 0.00 C ATOM 1369 O SER A 88 9.151 -4.378 2.347 1.00 0.00 O ATOM 1370 CB SER A 88 7.929 -1.820 4.278 1.00 0.00 C ATOM 1371 OG SER A 88 8.144 -1.636 5.674 1.00 0.00 O ATOM 0 H SER A 88 9.682 -0.275 3.430 1.00 0.00 H new ATOM 0 HA SER A 88 9.777 -2.892 4.272 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.602 -0.880 3.835 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.125 -2.540 4.127 1.00 0.00 H new ATOM 0 HG SER A 88 7.316 -1.323 6.094 1.00 0.00 H new ATOM 1377 N PHE A 89 8.129 -2.588 1.416 1.00 0.00 N ATOM 1378 CA PHE A 89 7.707 -3.307 0.227 1.00 0.00 C ATOM 1379 C PHE A 89 8.856 -4.137 -0.349 1.00 0.00 C ATOM 1380 O PHE A 89 8.741 -5.354 -0.484 1.00 0.00 O ATOM 1381 CB PHE A 89 7.285 -2.258 -0.804 1.00 0.00 C ATOM 1382 CG PHE A 89 6.854 -2.846 -2.149 1.00 0.00 C ATOM 1383 CD1 PHE A 89 5.611 -3.379 -2.292 1.00 0.00 C ATOM 1384 CD2 PHE A 89 7.715 -2.836 -3.202 1.00 0.00 C ATOM 1385 CE1 PHE A 89 5.212 -3.924 -3.541 1.00 0.00 C ATOM 1386 CE2 PHE A 89 7.315 -3.381 -4.451 1.00 0.00 C ATOM 1387 CZ PHE A 89 6.072 -3.914 -4.594 1.00 0.00 C ATOM 0 H PHE A 89 7.854 -1.606 1.441 1.00 0.00 H new ATOM 0 HA PHE A 89 6.891 -3.987 0.474 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.462 -1.672 -0.395 1.00 0.00 H new ATOM 0 HB3 PHE A 89 8.115 -1.571 -0.969 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.928 -3.388 -1.456 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.703 -2.414 -3.088 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.225 -4.347 -3.655 1.00 0.00 H new ATOM 0 HE2 PHE A 89 7.998 -3.372 -5.287 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.768 -4.329 -5.544 1.00 0.00 H new ATOM 1397 N PHE A 90 9.939 -3.445 -0.674 1.00 0.00 N ATOM 1398 CA PHE A 90 11.108 -4.103 -1.232 1.00 0.00 C ATOM 1399 C PHE A 90 11.616 -5.203 -0.298 1.00 0.00 C ATOM 1400 O PHE A 90 11.948 -6.299 -0.747 1.00 0.00 O ATOM 1401 CB PHE A 90 12.193 -3.035 -1.381 1.00 0.00 C ATOM 1402 CG PHE A 90 13.402 -3.488 -2.202 1.00 0.00 C ATOM 1403 CD1 PHE A 90 14.348 -4.285 -1.636 1.00 0.00 C ATOM 1404 CD2 PHE A 90 13.532 -3.093 -3.497 1.00 0.00 C ATOM 1405 CE1 PHE A 90 15.471 -4.705 -2.398 1.00 0.00 C ATOM 1406 CE2 PHE A 90 14.654 -3.513 -4.259 1.00 0.00 C ATOM 1407 CZ PHE A 90 15.600 -4.310 -3.693 1.00 0.00 C ATOM 0 H PHE A 90 10.031 -2.435 -0.561 1.00 0.00 H new ATOM 0 HA PHE A 90 10.856 -4.563 -2.187 1.00 0.00 H new ATOM 0 HB2 PHE A 90 11.758 -2.152 -1.850 1.00 0.00 H new ATOM 0 HB3 PHE A 90 12.532 -2.735 -0.389 1.00 0.00 H new ATOM 0 HD1 PHE A 90 14.245 -4.598 -0.608 1.00 0.00 H new ATOM 0 HD2 PHE A 90 12.781 -2.459 -3.946 1.00 0.00 H new ATOM 0 HE1 PHE A 90 16.222 -5.338 -1.949 1.00 0.00 H new ATOM 0 HE2 PHE A 90 14.756 -3.200 -5.288 1.00 0.00 H new ATOM 0 HZ PHE A 90 16.454 -4.629 -4.272 1.00 0.00 H new ATOM 1417 N GLU A 91 11.661 -4.872 0.984 1.00 0.00 N ATOM 1418 CA GLU A 91 12.124 -5.819 1.985 1.00 0.00 C ATOM 1419 C GLU A 91 11.221 -7.054 2.005 1.00 0.00 C ATOM 1420 O GLU A 91 11.576 -8.077 2.588 1.00 0.00 O ATOM 1421 CB GLU A 91 12.190 -5.166 3.367 1.00 0.00 C ATOM 1422 CG GLU A 91 13.638 -5.040 3.845 1.00 0.00 C ATOM 1423 CD GLU A 91 13.700 -4.831 5.360 1.00 0.00 C ATOM 1424 OE1 GLU A 91 13.242 -5.746 6.078 1.00 0.00 O ATOM 1425 OE2 GLU A 91 14.203 -3.761 5.765 1.00 0.00 O ATOM 0 H GLU A 91 11.385 -3.962 1.353 1.00 0.00 H new ATOM 0 HA GLU A 91 13.133 -6.135 1.720 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.728 -4.179 3.329 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.618 -5.759 4.081 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.193 -5.939 3.575 1.00 0.00 H new ATOM 0 HG3 GLU A 91 14.120 -4.204 3.339 1.00 0.00 H new ATOM 1432 N SER A 92 10.071 -6.917 1.362 1.00 0.00 N ATOM 1433 CA SER A 92 9.115 -8.009 1.299 1.00 0.00 C ATOM 1434 C SER A 92 9.250 -8.747 -0.035 1.00 0.00 C ATOM 1435 O SER A 92 9.290 -9.976 -0.067 1.00 0.00 O ATOM 1436 CB SER A 92 7.683 -7.500 1.480 1.00 0.00 C ATOM 1437 OG SER A 92 7.390 -7.206 2.843 1.00 0.00 O ATOM 0 H SER A 92 9.780 -6.066 0.880 1.00 0.00 H new ATOM 0 HA SER A 92 9.332 -8.700 2.114 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.538 -6.604 0.876 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.982 -8.250 1.112 1.00 0.00 H new ATOM 0 HG SER A 92 7.246 -8.042 3.334 1.00 0.00 H new ATOM 1443 N LYS A 93 9.318 -7.966 -1.103 1.00 0.00 N ATOM 1444 CA LYS A 93 9.448 -8.529 -2.435 1.00 0.00 C ATOM 1445 C LYS A 93 10.517 -9.624 -2.419 1.00 0.00 C ATOM 1446 O LYS A 93 10.367 -10.653 -3.076 1.00 0.00 O ATOM 1447 CB LYS A 93 9.715 -7.425 -3.460 1.00 0.00 C ATOM 1448 CG LYS A 93 8.407 -6.775 -3.919 1.00 0.00 C ATOM 1449 CD LYS A 93 8.606 -6.008 -5.227 1.00 0.00 C ATOM 1450 CE LYS A 93 9.788 -5.042 -5.123 1.00 0.00 C ATOM 1451 NZ LYS A 93 11.066 -5.765 -5.310 1.00 0.00 N ATOM 0 H LYS A 93 9.285 -6.947 -1.072 1.00 0.00 H new ATOM 0 HA LYS A 93 8.514 -8.999 -2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.368 -6.669 -3.024 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.240 -7.841 -4.320 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.644 -7.541 -4.055 1.00 0.00 H new ATOM 0 HG3 LYS A 93 8.043 -6.097 -3.147 1.00 0.00 H new ATOM 0 HD2 LYS A 93 8.777 -6.711 -6.042 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.699 -5.454 -5.469 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.693 -4.259 -5.875 1.00 0.00 H new ATOM 0 HE3 LYS A 93 9.780 -4.551 -4.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 11.679 -5.225 -5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.540 -5.875 -4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 10.878 -6.703 -5.717 1.00 0.00 H new ATOM 1465 N GLU A 94 11.573 -9.365 -1.661 1.00 0.00 N ATOM 1466 CA GLU A 94 12.666 -10.315 -1.551 1.00 0.00 C ATOM 1467 C GLU A 94 12.145 -11.670 -1.068 1.00 0.00 C ATOM 1468 O GLU A 94 12.572 -12.714 -1.559 1.00 0.00 O ATOM 1469 CB GLU A 94 13.761 -9.786 -0.621 1.00 0.00 C ATOM 1470 CG GLU A 94 14.557 -8.666 -1.294 1.00 0.00 C ATOM 1471 CD GLU A 94 15.944 -8.524 -0.663 1.00 0.00 C ATOM 1472 OE1 GLU A 94 16.475 -9.566 -0.222 1.00 0.00 O ATOM 1473 OE2 GLU A 94 16.440 -7.378 -0.637 1.00 0.00 O ATOM 0 H GLU A 94 11.694 -8.511 -1.117 1.00 0.00 H new ATOM 0 HA GLU A 94 13.107 -10.448 -2.539 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.313 -9.415 0.301 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.432 -10.599 -0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.658 -8.876 -2.359 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.015 -7.725 -1.204 1.00 0.00 H new ATOM 1480 N SER A 95 11.229 -11.610 -0.112 1.00 0.00 N ATOM 1481 CA SER A 95 10.645 -12.820 0.442 1.00 0.00 C ATOM 1482 C SER A 95 9.253 -13.047 -0.150 1.00 0.00 C ATOM 1483 O SER A 95 8.526 -13.938 0.288 1.00 0.00 O ATOM 1484 CB SER A 95 10.568 -12.745 1.968 1.00 0.00 C ATOM 1485 OG SER A 95 9.831 -13.833 2.519 1.00 0.00 O ATOM 0 H SER A 95 10.877 -10.742 0.293 1.00 0.00 H new ATOM 0 HA SER A 95 11.286 -13.661 0.179 1.00 0.00 H new ATOM 0 HB2 SER A 95 11.576 -12.743 2.382 1.00 0.00 H new ATOM 0 HB3 SER A 95 10.101 -11.805 2.262 1.00 0.00 H new ATOM 0 HG SER A 95 9.365 -14.310 1.801 1.00 0.00 H new ATOM 1491 N ASN A 96 8.922 -12.226 -1.136 1.00 0.00 N ATOM 1492 CA ASN A 96 7.630 -12.326 -1.792 1.00 0.00 C ATOM 1493 C ASN A 96 6.521 -12.252 -0.740 1.00 0.00 C ATOM 1494 O ASN A 96 5.591 -13.056 -0.756 1.00 0.00 O ATOM 1495 CB ASN A 96 7.490 -13.657 -2.533 1.00 0.00 C ATOM 1496 CG ASN A 96 6.823 -13.459 -3.895 1.00 0.00 C ATOM 1497 OD1 ASN A 96 6.422 -12.368 -4.266 1.00 0.00 O ATOM 1498 ND2 ASN A 96 6.726 -14.572 -4.617 1.00 0.00 N ATOM 0 H ASN A 96 9.527 -11.488 -1.496 1.00 0.00 H new ATOM 0 HA ASN A 96 7.550 -11.506 -2.505 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.473 -14.107 -2.668 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.901 -14.351 -1.933 1.00 0.00 H new ATOM 0 HD21 ASN A 96 6.295 -14.544 -5.541 1.00 0.00 H new ATOM 0 HD22 ASN A 96 7.082 -15.453 -4.246 1.00 0.00 H new ATOM 1505 N THR A 97 6.658 -11.280 0.150 1.00 0.00 N ATOM 1506 CA THR A 97 5.680 -11.091 1.208 1.00 0.00 C ATOM 1507 C THR A 97 4.820 -9.858 0.924 1.00 0.00 C ATOM 1508 O THR A 97 3.945 -9.511 1.717 1.00 0.00 O ATOM 1509 CB THR A 97 6.431 -11.015 2.539 1.00 0.00 C ATOM 1510 OG1 THR A 97 7.499 -10.107 2.283 1.00 0.00 O ATOM 1511 CG2 THR A 97 7.134 -12.328 2.890 1.00 0.00 C ATOM 0 H THR A 97 7.431 -10.615 0.160 1.00 0.00 H new ATOM 0 HA THR A 97 4.985 -11.929 1.259 1.00 0.00 H new ATOM 0 HB THR A 97 5.734 -10.752 3.335 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.354 -10.544 2.480 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.652 -12.220 3.843 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.396 -13.127 2.966 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.856 -12.574 2.111 1.00 0.00 H new ATOM 1519 N VAL A 98 5.099 -9.229 -0.208 1.00 0.00 N ATOM 1520 CA VAL A 98 4.362 -8.042 -0.606 1.00 0.00 C ATOM 1521 C VAL A 98 2.905 -8.177 -0.158 1.00 0.00 C ATOM 1522 O VAL A 98 2.385 -7.312 0.545 1.00 0.00 O ATOM 1523 CB VAL A 98 4.506 -7.816 -2.112 1.00 0.00 C ATOM 1524 CG1 VAL A 98 3.257 -7.148 -2.689 1.00 0.00 C ATOM 1525 CG2 VAL A 98 5.760 -6.999 -2.427 1.00 0.00 C ATOM 0 H VAL A 98 5.826 -9.519 -0.862 1.00 0.00 H new ATOM 0 HA VAL A 98 4.771 -7.157 -0.118 1.00 0.00 H new ATOM 0 HB VAL A 98 4.614 -8.791 -2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.386 -6.999 -3.761 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.390 -7.784 -2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.103 -6.184 -2.205 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.838 -6.853 -3.504 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.696 -6.029 -1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.641 -7.532 -2.068 1.00 0.00 H new ATOM 1535 N PHE A 99 2.288 -9.270 -0.584 1.00 0.00 N ATOM 1536 CA PHE A 99 0.901 -9.530 -0.237 1.00 0.00 C ATOM 1537 C PHE A 99 0.681 -9.403 1.272 1.00 0.00 C ATOM 1538 O PHE A 99 -0.207 -8.676 1.715 1.00 0.00 O ATOM 1539 CB PHE A 99 0.594 -10.966 -0.666 1.00 0.00 C ATOM 1540 CG PHE A 99 0.607 -11.179 -2.181 1.00 0.00 C ATOM 1541 CD1 PHE A 99 -0.532 -10.997 -2.902 1.00 0.00 C ATOM 1542 CD2 PHE A 99 1.756 -11.549 -2.806 1.00 0.00 C ATOM 1543 CE1 PHE A 99 -0.520 -11.195 -4.308 1.00 0.00 C ATOM 1544 CE2 PHE A 99 1.768 -11.747 -4.212 1.00 0.00 C ATOM 1545 CZ PHE A 99 0.630 -11.566 -4.934 1.00 0.00 C ATOM 0 H PHE A 99 2.723 -9.985 -1.166 1.00 0.00 H new ATOM 0 HA PHE A 99 0.252 -8.809 -0.734 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.324 -11.635 -0.209 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.385 -11.249 -0.278 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.445 -10.702 -2.405 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.660 -11.692 -2.233 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.424 -11.051 -4.881 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.681 -12.041 -4.708 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.639 -11.717 -6.003 1.00 0.00 H new ATOM 1555 N SER A 100 1.506 -10.121 2.021 1.00 0.00 N ATOM 1556 CA SER A 100 1.413 -10.098 3.470 1.00 0.00 C ATOM 1557 C SER A 100 1.772 -8.706 3.996 1.00 0.00 C ATOM 1558 O SER A 100 1.155 -8.217 4.940 1.00 0.00 O ATOM 1559 CB SER A 100 2.325 -11.154 4.098 1.00 0.00 C ATOM 1560 OG SER A 100 1.743 -12.454 4.055 1.00 0.00 O ATOM 0 H SER A 100 2.242 -10.722 1.651 1.00 0.00 H new ATOM 0 HA SER A 100 0.386 -10.332 3.750 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.280 -11.167 3.573 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.534 -10.884 5.133 1.00 0.00 H new ATOM 0 HG SER A 100 2.356 -13.100 4.464 1.00 0.00 H new ATOM 1566 N PHE A 101 2.770 -8.109 3.361 1.00 0.00 N ATOM 1567 CA PHE A 101 3.219 -6.784 3.753 1.00 0.00 C ATOM 1568 C PHE A 101 2.073 -5.773 3.682 1.00 0.00 C ATOM 1569 O PHE A 101 2.036 -4.816 4.454 1.00 0.00 O ATOM 1570 CB PHE A 101 4.309 -6.370 2.762 1.00 0.00 C ATOM 1571 CG PHE A 101 4.489 -4.856 2.630 1.00 0.00 C ATOM 1572 CD1 PHE A 101 4.592 -4.084 3.745 1.00 0.00 C ATOM 1573 CD2 PHE A 101 4.545 -4.283 1.398 1.00 0.00 C ATOM 1574 CE1 PHE A 101 4.759 -2.679 3.623 1.00 0.00 C ATOM 1575 CE2 PHE A 101 4.712 -2.878 1.276 1.00 0.00 C ATOM 1576 CZ PHE A 101 4.815 -2.106 2.391 1.00 0.00 C ATOM 0 H PHE A 101 3.280 -8.518 2.578 1.00 0.00 H new ATOM 0 HA PHE A 101 3.587 -6.805 4.779 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.255 -6.812 3.073 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.071 -6.784 1.782 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.547 -4.539 4.723 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.463 -4.896 0.513 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.841 -2.066 4.508 1.00 0.00 H new ATOM 0 HE2 PHE A 101 4.757 -2.423 0.298 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.941 -1.037 2.298 1.00 0.00 H new ATOM 1586 N LEU A 102 1.164 -6.021 2.750 1.00 0.00 N ATOM 1587 CA LEU A 102 0.020 -5.144 2.569 1.00 0.00 C ATOM 1588 C LEU A 102 -1.203 -5.762 3.251 1.00 0.00 C ATOM 1589 O LEU A 102 -2.337 -5.385 2.961 1.00 0.00 O ATOM 1590 CB LEU A 102 -0.192 -4.840 1.085 1.00 0.00 C ATOM 1591 CG LEU A 102 1.076 -4.693 0.242 1.00 0.00 C ATOM 1592 CD1 LEU A 102 0.916 -5.382 -1.114 1.00 0.00 C ATOM 1593 CD2 LEU A 102 1.470 -3.222 0.096 1.00 0.00 C ATOM 0 H LEU A 102 1.197 -6.817 2.113 1.00 0.00 H new ATOM 0 HA LEU A 102 0.199 -4.180 3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.800 -5.636 0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.768 -3.918 1.002 1.00 0.00 H new ATOM 0 HG LEU A 102 1.892 -5.194 0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.832 -5.262 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.719 -6.443 -0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.083 -4.932 -1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.374 -3.146 -0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.662 -2.675 -0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.655 -2.795 1.082 1.00 0.00 H new ATOM 1605 N GLY A 103 -0.931 -6.702 4.145 1.00 0.00 N ATOM 1606 CA GLY A 103 -1.994 -7.375 4.870 1.00 0.00 C ATOM 1607 C GLY A 103 -2.946 -8.090 3.909 1.00 0.00 C ATOM 1608 O GLY A 103 -4.101 -8.345 4.247 1.00 0.00 O ATOM 0 H GLY A 103 0.011 -7.013 4.383 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -1.565 -8.096 5.566 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.549 -6.650 5.465 1.00 0.00 H new ATOM 1612 N LEU A 104 -2.426 -8.394 2.728 1.00 0.00 N ATOM 1613 CA LEU A 104 -3.215 -9.075 1.716 1.00 0.00 C ATOM 1614 C LEU A 104 -3.099 -10.587 1.916 1.00 0.00 C ATOM 1615 O LEU A 104 -2.025 -11.094 2.235 1.00 0.00 O ATOM 1616 CB LEU A 104 -2.810 -8.607 0.317 1.00 0.00 C ATOM 1617 CG LEU A 104 -2.881 -7.099 0.067 1.00 0.00 C ATOM 1618 CD1 LEU A 104 -1.991 -6.695 -1.110 1.00 0.00 C ATOM 1619 CD2 LEU A 104 -4.329 -6.644 -0.127 1.00 0.00 C ATOM 0 H LEU A 104 -1.468 -8.181 2.450 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.270 -8.820 1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.790 -8.939 0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.450 -9.106 -0.411 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.498 -6.588 0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.060 -5.618 -1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.957 -6.965 -0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.321 -7.214 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.352 -5.569 -0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.761 -7.161 -0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.907 -6.878 0.767 1.00 0.00 H new ATOM 1631 N LYS A 105 -4.220 -11.265 1.720 1.00 0.00 N ATOM 1632 CA LYS A 105 -4.257 -12.710 1.875 1.00 0.00 C ATOM 1633 C LYS A 105 -3.646 -13.089 3.226 1.00 0.00 C ATOM 1634 O LYS A 105 -3.210 -12.221 3.980 1.00 0.00 O ATOM 1635 CB LYS A 105 -3.587 -13.394 0.682 1.00 0.00 C ATOM 1636 CG LYS A 105 -2.079 -13.531 0.905 1.00 0.00 C ATOM 1637 CD LYS A 105 -1.623 -14.977 0.699 1.00 0.00 C ATOM 1638 CE LYS A 105 -0.097 -15.081 0.733 1.00 0.00 C ATOM 1639 NZ LYS A 105 0.478 -14.692 -0.574 1.00 0.00 N ATOM 0 H LYS A 105 -5.109 -10.841 1.455 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.287 -13.067 1.879 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.027 -14.380 0.529 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.773 -12.818 -0.224 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -1.545 -12.876 0.216 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -1.826 -13.207 1.914 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -2.052 -15.611 1.475 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.995 -15.347 -0.256 1.00 0.00 H new ATOM 0 HE2 LYS A 105 0.300 -14.437 1.518 1.00 0.00 H new ATOM 0 HE3 LYS A 105 0.199 -16.101 0.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 1.514 -14.768 -0.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 0.113 -15.323 -1.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 0.211 -13.711 -0.792 1.00 0.00 H new ATOM 1653 N SER A 106 -3.634 -14.388 3.489 1.00 0.00 N ATOM 1654 CA SER A 106 -3.084 -14.893 4.736 1.00 0.00 C ATOM 1655 C SER A 106 -3.767 -14.212 5.923 1.00 0.00 C ATOM 1656 O SER A 106 -3.294 -13.186 6.412 1.00 0.00 O ATOM 1657 CB SER A 106 -1.571 -14.676 4.798 1.00 0.00 C ATOM 1658 OG SER A 106 -0.953 -15.499 5.783 1.00 0.00 O ATOM 0 H SER A 106 -3.996 -15.105 2.861 1.00 0.00 H new ATOM 0 HA SER A 106 -3.272 -15.966 4.783 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.134 -14.889 3.822 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.364 -13.629 5.019 1.00 0.00 H new ATOM 0 HG SER A 106 0.013 -15.332 5.790 1.00 0.00 H new ATOM 1664 N GLY A 107 -4.868 -14.809 6.354 1.00 0.00 N ATOM 1665 CA GLY A 107 -5.621 -14.273 7.476 1.00 0.00 C ATOM 1666 C GLY A 107 -7.126 -14.341 7.209 1.00 0.00 C ATOM 1667 O GLY A 107 -7.581 -15.157 6.408 1.00 0.00 O ATOM 0 H GLY A 107 -5.257 -15.659 5.947 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -5.383 -14.834 8.380 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -5.326 -13.239 7.656 1.00 0.00 H new ATOM 1671 N PRO A 108 -7.875 -13.451 7.912 1.00 0.00 N ATOM 1672 CA PRO A 108 -9.319 -13.402 7.759 1.00 0.00 C ATOM 1673 C PRO A 108 -9.708 -12.738 6.437 1.00 0.00 C ATOM 1674 O PRO A 108 -10.472 -13.302 5.656 1.00 0.00 O ATOM 1675 CB PRO A 108 -9.818 -12.641 8.976 1.00 0.00 C ATOM 1676 CG PRO A 108 -8.614 -11.892 9.523 1.00 0.00 C ATOM 1677 CD PRO A 108 -7.369 -12.471 8.869 1.00 0.00 C ATOM 0 HA PRO A 108 -9.771 -14.393 7.713 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -10.617 -11.951 8.704 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -10.226 -13.323 9.722 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -8.697 -10.827 9.309 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -8.560 -11.996 10.607 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -6.786 -11.696 8.371 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -6.715 -12.938 9.606 1.00 0.00 H new ATOM 1685 N SER A 109 -9.165 -11.548 6.228 1.00 0.00 N ATOM 1686 CA SER A 109 -9.446 -10.800 5.014 1.00 0.00 C ATOM 1687 C SER A 109 -8.703 -11.425 3.831 1.00 0.00 C ATOM 1688 O SER A 109 -7.485 -11.586 3.874 1.00 0.00 O ATOM 1689 CB SER A 109 -9.054 -9.329 5.170 1.00 0.00 C ATOM 1690 OG SER A 109 -9.895 -8.648 6.098 1.00 0.00 O ATOM 0 H SER A 109 -8.532 -11.083 6.879 1.00 0.00 H new ATOM 0 HA SER A 109 -10.519 -10.844 4.826 1.00 0.00 H new ATOM 0 HB2 SER A 109 -8.018 -9.263 5.503 1.00 0.00 H new ATOM 0 HB3 SER A 109 -9.109 -8.834 4.200 1.00 0.00 H new ATOM 0 HG SER A 109 -9.612 -7.713 6.171 1.00 0.00 H new ATOM 1696 N SER A 110 -9.469 -11.758 2.802 1.00 0.00 N ATOM 1697 CA SER A 110 -8.899 -12.362 1.610 1.00 0.00 C ATOM 1698 C SER A 110 -8.940 -11.366 0.449 1.00 0.00 C ATOM 1699 O SER A 110 -9.872 -11.383 -0.355 1.00 0.00 O ATOM 1700 CB SER A 110 -9.640 -13.647 1.234 1.00 0.00 C ATOM 1701 OG SER A 110 -8.968 -14.369 0.206 1.00 0.00 O ATOM 0 H SER A 110 -10.479 -11.621 2.769 1.00 0.00 H new ATOM 0 HA SER A 110 -7.862 -12.623 1.821 1.00 0.00 H new ATOM 0 HB2 SER A 110 -9.739 -14.280 2.116 1.00 0.00 H new ATOM 0 HB3 SER A 110 -10.649 -13.400 0.904 1.00 0.00 H new ATOM 0 HG SER A 110 -9.471 -15.183 -0.005 1.00 0.00 H new ATOM 1707 N GLY A 111 -7.920 -10.523 0.397 1.00 0.00 N ATOM 1708 CA GLY A 111 -7.828 -9.522 -0.652 1.00 0.00 C ATOM 1709 C GLY A 111 -6.838 -9.953 -1.736 1.00 0.00 C ATOM 1710 O GLY A 111 -5.689 -10.276 -1.438 1.00 0.00 O ATOM 0 H GLY A 111 -7.149 -10.512 1.065 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -8.811 -9.363 -1.095 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -7.513 -8.570 -0.225 1.00 0.00 H new TER 1714 GLY A 111