USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 967 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 101 TYR OH : rot 165:sc= -0.795 USER MOD Set 1.2: A 105 HIS : no HD1:sc= -5.79! C(o=-6.6!,f=-6.3!) USER MOD Set 2.1: A 63 ASN : amide:sc= -0.286 K(o=-0.3,f=-1.8!) USER MOD Set 2.2: A 83 LYS NZ :NH3+ -153:sc= -0.0161 (180deg=-0.415) USER MOD Set 3.1: A 58 SER OG : rot -94:sc= 0.0909 USER MOD Set 3.2: A 67 HIS : no HD1:sc= -4.68! C(o=-4.6!,f=-5.3!) USER MOD Single : A 4 TYR OH : rot 180:sc= -1.29 USER MOD Single : A 5 TYR OH : rot -9:sc= -2.63 USER MOD Single : A 11 SER OG : rot 180:sc= 0.0974 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -47:sc= -0.779! USER MOD Single : A 23 LYS NZ :NH3+ 152:sc= 0.606 (180deg=0.0791) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 4:sc= 0.141 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 MET CE :methyl -135:sc= -10.2! (180deg=-15.1!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0701 USER MOD Single : A 46 THR OG1 : rot 86:sc= 0.0798 USER MOD Single : A 49 SER OG : rot -35:sc= -0.0582 USER MOD Single : A 51 THR OG1 : rot 73:sc= -7.99! USER MOD Single : A 57 GLN : amide:sc= -0.899 K(o=-0.9,f=-4.5!) USER MOD Single : A 64 TYR OH : rot 110:sc= -0.323 USER MOD Single : A 69 TYR OH : rot 108:sc= 0.363 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot -160:sc= -2.26 USER MOD Single : A 81 THR OG1 : rot 166:sc= -1.86! USER MOD Single : A 84 GLN : amide:sc= -2.41 K(o=-2.4,f=-3.3!) USER MOD Single : A 85 TYR OH : rot 49:sc= -2.43! USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc=0.000123 USER MOD Single : A 95 ASN : amide:sc=-0.00358 X(o=-0.0036,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= -0.668 X(o=-0.67,f=-0.27) USER MOD Single : A 127 THR OG1 : rot 78:sc= 1.01 USER MOD Single : A 128 TYR OH : rot 30:sc= -0.202 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -1.81 K(o=-1.8,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -11.048 8.973 2.328 1.00 0.00 N ATOM 21 CA ARG A 2 -9.774 8.778 3.010 1.00 0.00 C ATOM 22 C ARG A 2 -9.118 7.473 2.571 1.00 0.00 C ATOM 23 O ARG A 2 -9.631 6.771 1.700 1.00 0.00 O ATOM 24 CB ARG A 2 -9.977 8.780 4.525 1.00 0.00 C ATOM 25 CG ARG A 2 -10.506 10.099 5.065 1.00 0.00 C ATOM 26 CD ARG A 2 -10.753 10.030 6.563 1.00 0.00 C ATOM 27 NE ARG A 2 -11.960 10.755 6.952 1.00 0.00 N ATOM 28 CZ ARG A 2 -13.189 10.400 6.583 1.00 0.00 C ATOM 29 NH1 ARG A 2 -13.378 9.332 5.819 1.00 0.00 N ATOM 30 NH2 ARG A 2 -14.233 11.115 6.981 1.00 0.00 N ATOM 0 HA ARG A 2 -9.114 9.603 2.740 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -10.671 7.983 4.791 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -9.028 8.552 5.011 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -9.792 10.894 4.849 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -11.434 10.356 4.554 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -10.842 8.987 6.868 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -9.895 10.445 7.092 1.00 0.00 H new ATOM 0 HE ARG A 2 -11.855 11.581 7.541 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -12.579 8.778 5.511 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -14.322 9.065 5.540 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -14.094 11.936 7.569 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -15.175 10.843 6.699 1.00 0.00 H new ATOM 44 N ILE A 3 -7.981 7.153 3.177 1.00 0.00 N ATOM 45 CA ILE A 3 -7.255 5.935 2.843 1.00 0.00 C ATOM 46 C ILE A 3 -8.067 4.698 3.208 1.00 0.00 C ATOM 47 O ILE A 3 -8.772 4.686 4.218 1.00 0.00 O ATOM 48 CB ILE A 3 -5.886 5.891 3.551 1.00 0.00 C ATOM 49 CG1 ILE A 3 -5.011 4.776 2.993 1.00 0.00 C ATOM 50 CG2 ILE A 3 -6.066 5.714 5.051 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.538 5.099 3.081 1.00 0.00 C ATOM 0 H ILE A 3 -7.542 7.720 3.902 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.089 5.940 1.766 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.386 6.841 3.365 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.211 3.854 3.539 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.279 4.595 1.952 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -5.089 5.685 5.534 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.643 6.549 5.449 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.595 4.781 5.246 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.959 4.272 2.670 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.330 6.005 2.513 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.261 5.253 4.124 1.00 0.00 H new ATOM 63 N TYR A 4 -7.974 3.662 2.380 1.00 0.00 N ATOM 64 CA TYR A 4 -8.716 2.433 2.630 1.00 0.00 C ATOM 65 C TYR A 4 -7.804 1.207 2.633 1.00 0.00 C ATOM 66 O TYR A 4 -8.108 0.212 3.291 1.00 0.00 O ATOM 67 CB TYR A 4 -9.854 2.266 1.616 1.00 0.00 C ATOM 68 CG TYR A 4 -9.416 2.263 0.168 1.00 0.00 C ATOM 69 CD1 TYR A 4 -8.784 3.363 -0.393 1.00 0.00 C ATOM 70 CD2 TYR A 4 -9.641 1.156 -0.639 1.00 0.00 C ATOM 71 CE1 TYR A 4 -8.387 3.361 -1.717 1.00 0.00 C ATOM 72 CE2 TYR A 4 -9.246 1.144 -1.963 1.00 0.00 C ATOM 73 CZ TYR A 4 -8.619 2.249 -2.497 1.00 0.00 C ATOM 74 OH TYR A 4 -8.224 2.243 -3.814 1.00 0.00 O ATOM 0 H TYR A 4 -7.398 3.649 1.538 1.00 0.00 H new ATOM 0 HA TYR A 4 -9.152 2.514 3.626 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -10.375 1.332 1.826 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -10.573 3.072 1.762 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -8.599 4.236 0.215 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -10.134 0.289 -0.225 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.897 4.227 -2.138 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -9.428 0.274 -2.576 1.00 0.00 H new ATOM 0 HH TYR A 4 -8.460 1.384 -4.223 1.00 0.00 H new ATOM 84 N TYR A 5 -6.679 1.277 1.924 1.00 0.00 N ATOM 85 CA TYR A 5 -5.745 0.154 1.899 1.00 0.00 C ATOM 86 C TYR A 5 -4.308 0.607 1.704 1.00 0.00 C ATOM 87 O TYR A 5 -4.031 1.623 1.065 1.00 0.00 O ATOM 88 CB TYR A 5 -6.110 -0.866 0.818 1.00 0.00 C ATOM 89 CG TYR A 5 -5.150 -2.048 0.747 1.00 0.00 C ATOM 90 CD1 TYR A 5 -3.880 -1.912 0.191 1.00 0.00 C ATOM 91 CD2 TYR A 5 -5.515 -3.298 1.234 1.00 0.00 C ATOM 92 CE1 TYR A 5 -3.009 -2.981 0.122 1.00 0.00 C ATOM 93 CE2 TYR A 5 -4.645 -4.372 1.169 1.00 0.00 C ATOM 94 CZ TYR A 5 -3.396 -4.208 0.612 1.00 0.00 C ATOM 95 OH TYR A 5 -2.531 -5.277 0.543 1.00 0.00 O ATOM 0 H TYR A 5 -6.395 2.084 1.369 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.826 -0.324 2.875 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.117 -1.237 1.006 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.130 -0.366 -0.150 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.571 -0.951 -0.194 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -6.494 -3.433 1.670 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.029 -2.855 -0.314 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -4.944 -5.336 1.554 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.755 -5.035 -0.004 1.00 0.00 H new ATOM 105 N ILE A 6 -3.403 -0.187 2.253 1.00 0.00 N ATOM 106 CA ILE A 6 -1.978 0.060 2.161 1.00 0.00 C ATOM 107 C ILE A 6 -1.249 -1.274 2.246 1.00 0.00 C ATOM 108 O ILE A 6 -1.828 -2.270 2.677 1.00 0.00 O ATOM 109 CB ILE A 6 -1.510 1.021 3.282 1.00 0.00 C ATOM 110 CG1 ILE A 6 -1.752 2.476 2.849 1.00 0.00 C ATOM 111 CG2 ILE A 6 -0.054 0.795 3.662 1.00 0.00 C ATOM 112 CD1 ILE A 6 -0.763 3.481 3.417 1.00 0.00 C ATOM 0 H ILE A 6 -3.642 -1.028 2.779 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.750 0.541 1.210 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.098 0.811 4.175 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.717 2.527 1.761 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.758 2.768 3.150 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.228 1.492 4.451 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.075 -0.227 4.017 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.579 0.959 2.790 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.012 4.479 3.058 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.812 3.464 4.506 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.245 3.221 3.095 1.00 0.00 H new ATOM 124 N GLY A 7 0.004 -1.303 1.830 1.00 0.00 N ATOM 125 CA GLY A 7 0.751 -2.539 1.879 1.00 0.00 C ATOM 126 C GLY A 7 1.892 -2.573 0.891 1.00 0.00 C ATOM 127 O GLY A 7 2.236 -1.559 0.286 1.00 0.00 O ATOM 0 H GLY A 7 0.515 -0.500 1.462 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.144 -2.681 2.886 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.078 -3.373 1.679 1.00 0.00 H new ATOM 131 N VAL A 8 2.473 -3.749 0.726 1.00 0.00 N ATOM 132 CA VAL A 8 3.577 -3.933 -0.197 1.00 0.00 C ATOM 133 C VAL A 8 3.326 -5.155 -1.063 1.00 0.00 C ATOM 134 O VAL A 8 2.490 -5.995 -0.731 1.00 0.00 O ATOM 135 CB VAL A 8 4.925 -4.111 0.528 1.00 0.00 C ATOM 136 CG1 VAL A 8 6.042 -3.462 -0.266 1.00 0.00 C ATOM 137 CG2 VAL A 8 4.886 -3.552 1.947 1.00 0.00 C ATOM 0 H VAL A 8 2.195 -4.595 1.223 1.00 0.00 H new ATOM 0 HA VAL A 8 3.635 -3.031 -0.807 1.00 0.00 H new ATOM 0 HB VAL A 8 5.118 -5.181 0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.988 -3.596 0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.105 -3.925 -1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.838 -2.397 -0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.856 -3.698 2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.655 -2.487 1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.119 -4.071 2.522 1.00 0.00 H new ATOM 147 N PHE A 9 4.036 -5.255 -2.179 1.00 0.00 N ATOM 148 CA PHE A 9 3.853 -6.383 -3.077 1.00 0.00 C ATOM 149 C PHE A 9 5.106 -6.672 -3.896 1.00 0.00 C ATOM 150 O PHE A 9 6.059 -5.895 -3.901 1.00 0.00 O ATOM 151 CB PHE A 9 2.686 -6.111 -4.018 1.00 0.00 C ATOM 152 CG PHE A 9 1.402 -5.771 -3.318 1.00 0.00 C ATOM 153 CD1 PHE A 9 1.205 -4.518 -2.759 1.00 0.00 C ATOM 154 CD2 PHE A 9 0.383 -6.701 -3.237 1.00 0.00 C ATOM 155 CE1 PHE A 9 0.016 -4.205 -2.129 1.00 0.00 C ATOM 156 CE2 PHE A 9 -0.808 -6.393 -2.612 1.00 0.00 C ATOM 157 CZ PHE A 9 -0.992 -5.143 -2.058 1.00 0.00 C ATOM 0 H PHE A 9 4.736 -4.577 -2.480 1.00 0.00 H new ATOM 0 HA PHE A 9 3.645 -7.259 -2.462 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.953 -5.290 -4.683 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.525 -6.989 -4.644 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.990 -3.778 -2.817 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.521 -7.681 -3.668 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.124 -3.227 -1.693 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.596 -7.130 -2.557 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.924 -4.900 -1.570 1.00 0.00 H new ATOM 167 N ARG A 10 5.077 -7.796 -4.598 1.00 0.00 N ATOM 168 CA ARG A 10 6.183 -8.214 -5.446 1.00 0.00 C ATOM 169 C ARG A 10 5.641 -8.670 -6.799 1.00 0.00 C ATOM 170 O ARG A 10 5.052 -9.745 -6.914 1.00 0.00 O ATOM 171 CB ARG A 10 6.974 -9.338 -4.757 1.00 0.00 C ATOM 172 CG ARG A 10 7.803 -10.212 -5.693 1.00 0.00 C ATOM 173 CD ARG A 10 7.682 -11.684 -5.325 1.00 0.00 C ATOM 174 NE ARG A 10 6.820 -12.417 -6.250 1.00 0.00 N ATOM 175 CZ ARG A 10 7.239 -12.946 -7.398 1.00 0.00 C ATOM 176 NH1 ARG A 10 8.498 -12.793 -7.790 1.00 0.00 N ATOM 177 NH2 ARG A 10 6.392 -13.627 -8.158 1.00 0.00 N ATOM 0 H ARG A 10 4.288 -8.442 -4.596 1.00 0.00 H new ATOM 0 HA ARG A 10 6.861 -7.376 -5.610 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.639 -8.893 -4.017 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.274 -9.974 -4.215 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.473 -10.063 -6.721 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.849 -9.908 -5.647 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.673 -12.137 -5.319 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.285 -11.772 -4.314 1.00 0.00 H new ATOM 0 HE ARG A 10 5.837 -12.530 -6.001 1.00 0.00 H new ATOM 0 HH11 ARG A 10 9.152 -12.267 -7.210 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.811 -13.201 -8.671 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.423 -13.744 -7.863 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.710 -14.033 -9.038 1.00 0.00 H new ATOM 191 N SER A 11 5.831 -7.835 -7.818 1.00 0.00 N ATOM 192 CA SER A 11 5.350 -8.137 -9.164 1.00 0.00 C ATOM 193 C SER A 11 5.670 -9.573 -9.566 1.00 0.00 C ATOM 194 O SER A 11 6.798 -9.888 -9.946 1.00 0.00 O ATOM 195 CB SER A 11 5.958 -7.167 -10.178 1.00 0.00 C ATOM 196 OG SER A 11 7.058 -6.467 -9.621 1.00 0.00 O ATOM 0 H SER A 11 6.316 -6.941 -7.737 1.00 0.00 H new ATOM 0 HA SER A 11 4.266 -8.021 -9.158 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.283 -7.717 -11.062 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.199 -6.456 -10.506 1.00 0.00 H new ATOM 0 HG SER A 11 7.429 -5.855 -10.290 1.00 0.00 H new ATOM 202 N GLY A 12 4.665 -10.437 -9.485 1.00 0.00 N ATOM 203 CA GLY A 12 4.854 -11.828 -9.847 1.00 0.00 C ATOM 204 C GLY A 12 4.410 -12.125 -11.266 1.00 0.00 C ATOM 205 O GLY A 12 4.028 -13.251 -11.582 1.00 0.00 O ATOM 0 H GLY A 12 3.723 -10.199 -9.175 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.907 -12.089 -9.737 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.296 -12.459 -9.156 1.00 0.00 H new ATOM 209 N GLY A 13 4.465 -11.112 -12.126 1.00 0.00 N ATOM 210 CA GLY A 13 4.066 -11.291 -13.509 1.00 0.00 C ATOM 211 C GLY A 13 2.610 -10.939 -13.749 1.00 0.00 C ATOM 212 O GLY A 13 2.250 -9.764 -13.804 1.00 0.00 O ATOM 0 H GLY A 13 4.779 -10.171 -11.889 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.695 -10.671 -14.147 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.238 -12.327 -13.801 1.00 0.00 H new ATOM 216 N GLU A 14 1.774 -11.962 -13.896 1.00 0.00 N ATOM 217 CA GLU A 14 0.349 -11.759 -14.137 1.00 0.00 C ATOM 218 C GLU A 14 -0.280 -10.906 -13.039 1.00 0.00 C ATOM 219 O GLU A 14 -1.248 -10.184 -13.280 1.00 0.00 O ATOM 220 CB GLU A 14 -0.369 -13.107 -14.224 1.00 0.00 C ATOM 221 CG GLU A 14 0.210 -14.037 -15.277 1.00 0.00 C ATOM 222 CD GLU A 14 1.174 -15.051 -14.692 1.00 0.00 C ATOM 223 OE1 GLU A 14 2.173 -14.632 -14.073 1.00 0.00 O ATOM 224 OE2 GLU A 14 0.928 -16.265 -14.855 1.00 0.00 O ATOM 0 H GLU A 14 2.059 -12.941 -13.852 1.00 0.00 H new ATOM 0 HA GLU A 14 0.240 -11.231 -15.084 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.322 -13.598 -13.252 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.423 -12.935 -14.443 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.603 -14.562 -15.780 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.725 -13.446 -16.035 1.00 0.00 H new ATOM 231 N LYS A 15 0.275 -10.994 -11.834 1.00 0.00 N ATOM 232 CA LYS A 15 -0.235 -10.227 -10.703 1.00 0.00 C ATOM 233 C LYS A 15 0.840 -10.051 -9.637 1.00 0.00 C ATOM 234 O LYS A 15 1.842 -10.766 -9.624 1.00 0.00 O ATOM 235 CB LYS A 15 -1.459 -10.920 -10.100 1.00 0.00 C ATOM 236 CG LYS A 15 -1.194 -12.350 -9.659 1.00 0.00 C ATOM 237 CD LYS A 15 -1.860 -13.355 -10.586 1.00 0.00 C ATOM 238 CE LYS A 15 -2.473 -14.511 -9.812 1.00 0.00 C ATOM 239 NZ LYS A 15 -1.697 -15.769 -9.985 1.00 0.00 N ATOM 0 H LYS A 15 1.076 -11.587 -11.616 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.526 -9.241 -11.066 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.807 -10.343 -9.243 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.265 -10.919 -10.834 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.119 -12.531 -9.637 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.562 -12.492 -8.643 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.634 -12.856 -11.169 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.126 -13.739 -11.294 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.518 -14.255 -8.753 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.498 -14.668 -10.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.148 -16.533 -9.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.675 -16.027 -10.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.725 -15.627 -9.642 1.00 0.00 H new ATOM 253 N ALA A 16 0.624 -9.090 -8.744 1.00 0.00 N ATOM 254 CA ALA A 16 1.572 -8.814 -7.673 1.00 0.00 C ATOM 255 C ALA A 16 1.432 -9.823 -6.541 1.00 0.00 C ATOM 256 O ALA A 16 0.392 -10.466 -6.393 1.00 0.00 O ATOM 257 CB ALA A 16 1.365 -7.404 -7.145 1.00 0.00 C ATOM 0 H ALA A 16 -0.200 -8.489 -8.742 1.00 0.00 H new ATOM 0 HA ALA A 16 2.579 -8.901 -8.080 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.078 -7.207 -6.345 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.518 -6.687 -7.952 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.350 -7.305 -6.759 1.00 0.00 H new ATOM 263 N LEU A 17 2.483 -9.955 -5.739 1.00 0.00 N ATOM 264 CA LEU A 17 2.470 -10.882 -4.616 1.00 0.00 C ATOM 265 C LEU A 17 2.111 -10.158 -3.322 1.00 0.00 C ATOM 266 O LEU A 17 2.371 -8.963 -3.176 1.00 0.00 O ATOM 267 CB LEU A 17 3.829 -11.568 -4.470 1.00 0.00 C ATOM 268 CG LEU A 17 3.927 -12.572 -3.317 1.00 0.00 C ATOM 269 CD1 LEU A 17 4.557 -13.874 -3.790 1.00 0.00 C ATOM 270 CD2 LEU A 17 4.720 -11.983 -2.160 1.00 0.00 C ATOM 0 H LEU A 17 3.352 -9.432 -5.846 1.00 0.00 H new ATOM 0 HA LEU A 17 1.712 -11.640 -4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.061 -12.084 -5.402 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.592 -10.803 -4.331 1.00 0.00 H new ATOM 0 HG LEU A 17 2.918 -12.789 -2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.617 -14.573 -2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.947 -14.307 -4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.559 -13.676 -4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.778 -12.711 -1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.726 -11.734 -2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.224 -11.081 -1.801 1.00 0.00 H new ATOM 282 N GLU A 18 1.504 -10.883 -2.390 1.00 0.00 N ATOM 283 CA GLU A 18 1.098 -10.308 -1.112 1.00 0.00 C ATOM 284 C GLU A 18 2.294 -10.099 -0.182 1.00 0.00 C ATOM 285 O GLU A 18 2.441 -10.796 0.823 1.00 0.00 O ATOM 286 CB GLU A 18 0.063 -11.208 -0.434 1.00 0.00 C ATOM 287 CG GLU A 18 -0.994 -10.440 0.342 1.00 0.00 C ATOM 288 CD GLU A 18 -2.127 -9.952 -0.540 1.00 0.00 C ATOM 289 OE1 GLU A 18 -1.889 -9.048 -1.367 1.00 0.00 O ATOM 290 OE2 GLU A 18 -3.254 -10.475 -0.402 1.00 0.00 O ATOM 0 H GLU A 18 1.281 -11.873 -2.495 1.00 0.00 H new ATOM 0 HA GLU A 18 0.655 -9.333 -1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.427 -11.819 -1.192 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.575 -11.891 0.244 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.399 -11.079 1.127 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.529 -9.586 0.835 1.00 0.00 H new ATOM 297 N LEU A 19 3.135 -9.123 -0.513 1.00 0.00 N ATOM 298 CA LEU A 19 4.303 -8.809 0.305 1.00 0.00 C ATOM 299 C LEU A 19 3.860 -8.311 1.676 1.00 0.00 C ATOM 300 O LEU A 19 4.440 -8.668 2.701 1.00 0.00 O ATOM 301 CB LEU A 19 5.167 -7.756 -0.388 1.00 0.00 C ATOM 302 CG LEU A 19 6.643 -7.769 0.006 1.00 0.00 C ATOM 303 CD1 LEU A 19 7.444 -8.634 -0.955 1.00 0.00 C ATOM 304 CD2 LEU A 19 7.193 -6.351 0.040 1.00 0.00 C ATOM 0 H LEU A 19 3.030 -8.536 -1.341 1.00 0.00 H new ATOM 0 HA LEU A 19 4.897 -9.714 0.434 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.093 -7.900 -1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.757 -6.770 -0.169 1.00 0.00 H new ATOM 0 HG LEU A 19 6.733 -8.197 1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.493 -8.631 -0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.062 -9.655 -0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.351 -8.237 -1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.246 -6.376 0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.092 -5.898 -0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.636 -5.762 0.768 1.00 0.00 H new ATOM 316 N SER A 20 2.813 -7.497 1.673 1.00 0.00 N ATOM 317 CA SER A 20 2.246 -6.944 2.897 1.00 0.00 C ATOM 318 C SER A 20 0.893 -6.315 2.589 1.00 0.00 C ATOM 319 O SER A 20 0.759 -5.573 1.616 1.00 0.00 O ATOM 320 CB SER A 20 3.182 -5.906 3.519 1.00 0.00 C ATOM 321 OG SER A 20 4.536 -6.182 3.209 1.00 0.00 O ATOM 0 H SER A 20 2.333 -7.201 0.823 1.00 0.00 H new ATOM 0 HA SER A 20 2.118 -7.752 3.618 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.919 -4.912 3.156 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.049 -5.896 4.601 1.00 0.00 H new ATOM 0 HG SER A 20 4.720 -7.132 3.365 1.00 0.00 H new ATOM 327 N GLU A 21 -0.118 -6.630 3.391 1.00 0.00 N ATOM 328 CA GLU A 21 -1.453 -6.094 3.147 1.00 0.00 C ATOM 329 C GLU A 21 -2.117 -5.567 4.415 1.00 0.00 C ATOM 330 O GLU A 21 -2.450 -6.326 5.325 1.00 0.00 O ATOM 331 CB GLU A 21 -2.342 -7.162 2.503 1.00 0.00 C ATOM 332 CG GLU A 21 -2.180 -8.548 3.108 1.00 0.00 C ATOM 333 CD GLU A 21 -3.089 -8.776 4.300 1.00 0.00 C ATOM 334 OE1 GLU A 21 -4.312 -8.918 4.095 1.00 0.00 O ATOM 335 OE2 GLU A 21 -2.577 -8.810 5.439 1.00 0.00 O ATOM 0 H GLU A 21 -0.043 -7.243 4.203 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.335 -5.249 2.468 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.384 -6.856 2.595 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.117 -7.213 1.438 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.391 -9.299 2.347 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.143 -8.687 3.415 1.00 0.00 H new ATOM 342 N VAL A 22 -2.330 -4.256 4.443 1.00 0.00 N ATOM 343 CA VAL A 22 -2.983 -3.595 5.560 1.00 0.00 C ATOM 344 C VAL A 22 -4.248 -2.900 5.066 1.00 0.00 C ATOM 345 O VAL A 22 -4.230 -2.229 4.034 1.00 0.00 O ATOM 346 CB VAL A 22 -2.044 -2.574 6.227 1.00 0.00 C ATOM 347 CG1 VAL A 22 -1.636 -1.480 5.256 1.00 0.00 C ATOM 348 CG2 VAL A 22 -2.682 -1.978 7.471 1.00 0.00 C ATOM 0 H VAL A 22 -2.054 -3.625 3.691 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.244 -4.346 6.306 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.142 -3.106 6.528 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.973 -0.776 5.759 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.117 -1.923 4.406 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.524 -0.955 4.905 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.997 -1.260 7.923 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.609 -1.474 7.198 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.898 -2.772 8.185 1.00 0.00 H new ATOM 358 N LYS A 23 -5.352 -3.091 5.776 1.00 0.00 N ATOM 359 CA LYS A 23 -6.620 -2.501 5.360 1.00 0.00 C ATOM 360 C LYS A 23 -7.048 -1.344 6.243 1.00 0.00 C ATOM 361 O LYS A 23 -6.538 -1.147 7.345 1.00 0.00 O ATOM 362 CB LYS A 23 -7.731 -3.550 5.373 1.00 0.00 C ATOM 363 CG LYS A 23 -7.323 -4.884 4.769 1.00 0.00 C ATOM 364 CD LYS A 23 -7.085 -5.935 5.843 1.00 0.00 C ATOM 365 CE LYS A 23 -5.838 -6.756 5.553 1.00 0.00 C ATOM 366 NZ LYS A 23 -5.818 -8.029 6.326 1.00 0.00 N ATOM 0 H LYS A 23 -5.397 -3.643 6.633 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.458 -2.123 4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.054 -3.711 6.402 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.591 -3.162 4.826 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.101 -5.229 4.088 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.416 -4.755 4.178 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.984 -5.449 6.813 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.950 -6.595 5.906 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.790 -6.978 4.487 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.952 -6.169 5.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.273 -8.744 5.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.375 -7.865 7.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.792 -8.368 6.462 1.00 0.00 H new ATOM 380 N ASP A 24 -8.032 -0.614 5.742 1.00 0.00 N ATOM 381 CA ASP A 24 -8.615 0.506 6.453 1.00 0.00 C ATOM 382 C ASP A 24 -10.084 0.609 6.067 1.00 0.00 C ATOM 383 O ASP A 24 -10.416 0.995 4.946 1.00 0.00 O ATOM 384 CB ASP A 24 -7.882 1.806 6.112 1.00 0.00 C ATOM 385 CG ASP A 24 -7.559 2.633 7.343 1.00 0.00 C ATOM 386 OD1 ASP A 24 -7.858 2.173 8.466 1.00 0.00 O ATOM 387 OD2 ASP A 24 -7.008 3.743 7.184 1.00 0.00 O ATOM 0 H ASP A 24 -8.448 -0.785 4.827 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.522 0.346 7.527 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.958 1.570 5.584 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.495 2.397 5.432 1.00 0.00 H new ATOM 392 N LEU A 25 -10.954 0.241 6.993 1.00 0.00 N ATOM 393 CA LEU A 25 -12.387 0.268 6.749 1.00 0.00 C ATOM 394 C LEU A 25 -13.125 0.950 7.893 1.00 0.00 C ATOM 395 O LEU A 25 -13.603 0.293 8.818 1.00 0.00 O ATOM 396 CB LEU A 25 -12.912 -1.151 6.559 1.00 0.00 C ATOM 397 CG LEU A 25 -12.443 -1.843 5.277 1.00 0.00 C ATOM 398 CD1 LEU A 25 -12.032 -3.280 5.559 1.00 0.00 C ATOM 399 CD2 LEU A 25 -13.534 -1.794 4.215 1.00 0.00 C ATOM 0 H LEU A 25 -10.692 -0.081 7.924 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.566 0.842 5.840 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.605 -1.754 7.414 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.002 -1.124 6.563 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.571 -1.309 4.899 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.702 -3.752 4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.216 -3.290 6.282 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.882 -3.829 5.964 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.184 -2.291 3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.425 -2.301 4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.775 -0.755 3.989 1.00 0.00 H new ATOM 411 N SER A 26 -13.201 2.271 7.828 1.00 0.00 N ATOM 412 CA SER A 26 -13.870 3.050 8.866 1.00 0.00 C ATOM 413 C SER A 26 -15.172 3.682 8.367 1.00 0.00 C ATOM 414 O SER A 26 -15.979 4.156 9.167 1.00 0.00 O ATOM 415 CB SER A 26 -12.934 4.143 9.388 1.00 0.00 C ATOM 416 OG SER A 26 -11.589 3.695 9.406 1.00 0.00 O ATOM 0 H SER A 26 -12.809 2.828 7.069 1.00 0.00 H new ATOM 0 HA SER A 26 -14.124 2.362 9.673 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.017 5.029 8.759 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.237 4.436 10.393 1.00 0.00 H new ATOM 0 HG SER A 26 -11.010 4.411 9.741 1.00 0.00 H new ATOM 422 N GLN A 27 -15.376 3.700 7.051 1.00 0.00 N ATOM 423 CA GLN A 27 -16.584 4.294 6.480 1.00 0.00 C ATOM 424 C GLN A 27 -17.458 3.249 5.779 1.00 0.00 C ATOM 425 O GLN A 27 -18.656 3.458 5.594 1.00 0.00 O ATOM 426 CB GLN A 27 -16.210 5.405 5.496 1.00 0.00 C ATOM 427 CG GLN A 27 -16.511 6.802 6.015 1.00 0.00 C ATOM 428 CD GLN A 27 -17.377 7.606 5.064 1.00 0.00 C ATOM 429 OE1 GLN A 27 -16.873 8.382 4.253 1.00 0.00 O ATOM 430 NE2 GLN A 27 -18.689 7.424 5.160 1.00 0.00 N ATOM 0 H GLN A 27 -14.727 3.314 6.365 1.00 0.00 H new ATOM 0 HA GLN A 27 -17.163 4.714 7.302 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -15.147 5.333 5.266 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -16.750 5.249 4.562 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -17.012 6.726 6.980 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.574 7.332 6.183 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -19.064 6.770 5.847 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -19.321 7.938 4.547 1.00 0.00 H new ATOM 439 N PHE A 28 -16.852 2.135 5.388 1.00 0.00 N ATOM 440 CA PHE A 28 -17.577 1.066 4.702 1.00 0.00 C ATOM 441 C PHE A 28 -18.427 0.267 5.687 1.00 0.00 C ATOM 442 O PHE A 28 -17.923 -0.245 6.686 1.00 0.00 O ATOM 443 CB PHE A 28 -16.594 0.149 3.972 1.00 0.00 C ATOM 444 CG PHE A 28 -15.422 0.895 3.406 1.00 0.00 C ATOM 445 CD1 PHE A 28 -15.471 1.438 2.133 1.00 0.00 C ATOM 446 CD2 PHE A 28 -14.281 1.074 4.163 1.00 0.00 C ATOM 447 CE1 PHE A 28 -14.397 2.145 1.629 1.00 0.00 C ATOM 448 CE2 PHE A 28 -13.204 1.776 3.664 1.00 0.00 C ATOM 449 CZ PHE A 28 -13.263 2.313 2.398 1.00 0.00 C ATOM 0 H PHE A 28 -15.860 1.946 5.533 1.00 0.00 H new ATOM 0 HA PHE A 28 -18.246 1.517 3.969 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -16.235 -0.615 4.661 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -17.115 -0.368 3.166 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -16.357 1.307 1.529 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -14.231 0.659 5.159 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -14.444 2.566 0.635 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -12.316 1.904 4.265 1.00 0.00 H new ATOM 0 HZ PHE A 28 -12.422 2.866 2.006 1.00 0.00 H new ATOM 459 N GLY A 29 -19.723 0.178 5.402 1.00 0.00 N ATOM 460 CA GLY A 29 -20.636 -0.542 6.274 1.00 0.00 C ATOM 461 C GLY A 29 -20.225 -1.975 6.526 1.00 0.00 C ATOM 462 O GLY A 29 -19.103 -2.380 6.225 1.00 0.00 O ATOM 0 H GLY A 29 -20.159 0.594 4.579 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -20.704 -0.019 7.228 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -21.633 -0.530 5.833 1.00 0.00 H new ATOM 466 N PHE A 30 -21.151 -2.737 7.092 1.00 0.00 N ATOM 467 CA PHE A 30 -20.921 -4.137 7.413 1.00 0.00 C ATOM 468 C PHE A 30 -20.516 -4.938 6.181 1.00 0.00 C ATOM 469 O PHE A 30 -19.349 -5.288 6.006 1.00 0.00 O ATOM 470 CB PHE A 30 -22.188 -4.734 8.024 1.00 0.00 C ATOM 471 CG PHE A 30 -21.954 -5.401 9.340 1.00 0.00 C ATOM 472 CD1 PHE A 30 -22.025 -4.678 10.514 1.00 0.00 C ATOM 473 CD2 PHE A 30 -21.659 -6.749 9.397 1.00 0.00 C ATOM 474 CE1 PHE A 30 -21.809 -5.288 11.730 1.00 0.00 C ATOM 475 CE2 PHE A 30 -21.441 -7.369 10.608 1.00 0.00 C ATOM 476 CZ PHE A 30 -21.515 -6.638 11.780 1.00 0.00 C ATOM 0 H PHE A 30 -22.082 -2.402 7.341 1.00 0.00 H new ATOM 0 HA PHE A 30 -20.100 -4.190 8.128 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -22.928 -3.944 8.152 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -22.612 -5.458 7.328 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -22.252 -3.623 10.479 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -21.599 -7.322 8.484 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -21.869 -4.713 12.642 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -21.213 -8.424 10.642 1.00 0.00 H new ATOM 0 HZ PHE A 30 -21.344 -7.120 12.731 1.00 0.00 H new ATOM 486 N PHE A 31 -21.497 -5.233 5.340 1.00 0.00 N ATOM 487 CA PHE A 31 -21.268 -6.004 4.128 1.00 0.00 C ATOM 488 C PHE A 31 -20.386 -5.230 3.157 1.00 0.00 C ATOM 489 O PHE A 31 -19.667 -5.820 2.351 1.00 0.00 O ATOM 490 CB PHE A 31 -22.607 -6.364 3.477 1.00 0.00 C ATOM 491 CG PHE A 31 -23.712 -6.582 4.475 1.00 0.00 C ATOM 492 CD1 PHE A 31 -23.619 -7.584 5.430 1.00 0.00 C ATOM 493 CD2 PHE A 31 -24.839 -5.776 4.464 1.00 0.00 C ATOM 494 CE1 PHE A 31 -24.629 -7.776 6.352 1.00 0.00 C ATOM 495 CE2 PHE A 31 -25.853 -5.965 5.383 1.00 0.00 C ATOM 496 CZ PHE A 31 -25.748 -6.967 6.328 1.00 0.00 C ATOM 0 H PHE A 31 -22.466 -4.947 5.477 1.00 0.00 H new ATOM 0 HA PHE A 31 -20.749 -6.926 4.391 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -22.897 -5.567 2.792 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -22.482 -7.267 2.880 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -22.747 -8.221 5.453 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -24.926 -4.990 3.728 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -24.544 -8.558 7.092 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -26.727 -5.330 5.363 1.00 0.00 H new ATOM 0 HZ PHE A 31 -26.540 -7.118 7.047 1.00 0.00 H new ATOM 506 N GLU A 32 -20.428 -3.905 3.252 1.00 0.00 N ATOM 507 CA GLU A 32 -19.614 -3.058 2.395 1.00 0.00 C ATOM 508 C GLU A 32 -18.139 -3.273 2.709 1.00 0.00 C ATOM 509 O GLU A 32 -17.312 -3.398 1.808 1.00 0.00 O ATOM 510 CB GLU A 32 -19.986 -1.586 2.585 1.00 0.00 C ATOM 511 CG GLU A 32 -20.012 -0.793 1.290 1.00 0.00 C ATOM 512 CD GLU A 32 -20.536 0.617 1.480 1.00 0.00 C ATOM 513 OE1 GLU A 32 -21.586 0.777 2.136 1.00 0.00 O ATOM 514 OE2 GLU A 32 -19.897 1.562 0.970 1.00 0.00 O ATOM 0 H GLU A 32 -21.016 -3.398 3.913 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.801 -3.327 1.356 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -20.966 -1.526 3.058 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -19.273 -1.125 3.269 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -19.005 -0.750 0.875 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -20.635 -1.313 0.562 1.00 0.00 H new ATOM 521 N ARG A 33 -17.823 -3.331 4.000 1.00 0.00 N ATOM 522 CA ARG A 33 -16.452 -3.549 4.454 1.00 0.00 C ATOM 523 C ARG A 33 -15.827 -4.741 3.735 1.00 0.00 C ATOM 524 O ARG A 33 -14.703 -4.666 3.239 1.00 0.00 O ATOM 525 CB ARG A 33 -16.437 -3.793 5.966 1.00 0.00 C ATOM 526 CG ARG A 33 -15.759 -2.691 6.759 1.00 0.00 C ATOM 527 CD ARG A 33 -16.307 -2.596 8.173 1.00 0.00 C ATOM 528 NE ARG A 33 -15.298 -2.942 9.173 1.00 0.00 N ATOM 529 CZ ARG A 33 -15.366 -2.577 10.452 1.00 0.00 C ATOM 530 NH1 ARG A 33 -16.391 -1.860 10.894 1.00 0.00 N ATOM 531 NH2 ARG A 33 -14.402 -2.932 11.292 1.00 0.00 N ATOM 0 H ARG A 33 -18.502 -3.229 4.754 1.00 0.00 H new ATOM 0 HA ARG A 33 -15.867 -2.658 4.223 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -17.463 -3.901 6.317 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -15.930 -4.737 6.167 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.686 -2.878 6.797 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -15.899 -1.737 6.250 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -16.667 -1.583 8.356 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -17.164 -3.262 8.276 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.495 -3.495 8.874 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -17.135 -1.584 10.253 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.435 -1.585 11.875 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.611 -3.483 10.958 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.452 -2.654 12.272 1.00 0.00 H new ATOM 545 N SER A 34 -16.570 -5.841 3.692 1.00 0.00 N ATOM 546 CA SER A 34 -16.105 -7.059 3.043 1.00 0.00 C ATOM 547 C SER A 34 -15.855 -6.828 1.554 1.00 0.00 C ATOM 548 O SER A 34 -14.809 -7.204 1.025 1.00 0.00 O ATOM 549 CB SER A 34 -17.132 -8.177 3.231 1.00 0.00 C ATOM 550 OG SER A 34 -16.587 -9.436 2.879 1.00 0.00 O ATOM 0 H SER A 34 -17.501 -5.913 4.101 1.00 0.00 H new ATOM 0 HA SER A 34 -15.163 -7.352 3.506 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.464 -8.199 4.269 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.011 -7.974 2.619 1.00 0.00 H new ATOM 0 HG SER A 34 -17.263 -10.133 3.010 1.00 0.00 H new ATOM 556 N SER A 35 -16.825 -6.214 0.885 1.00 0.00 N ATOM 557 CA SER A 35 -16.713 -5.941 -0.543 1.00 0.00 C ATOM 558 C SER A 35 -15.531 -5.025 -0.841 1.00 0.00 C ATOM 559 O SER A 35 -14.773 -5.266 -1.782 1.00 0.00 O ATOM 560 CB SER A 35 -18.004 -5.311 -1.070 1.00 0.00 C ATOM 561 OG SER A 35 -18.437 -4.255 -0.231 1.00 0.00 O ATOM 0 H SER A 35 -17.697 -5.896 1.308 1.00 0.00 H new ATOM 0 HA SER A 35 -16.546 -6.892 -1.049 1.00 0.00 H new ATOM 0 HB2 SER A 35 -17.842 -4.934 -2.080 1.00 0.00 H new ATOM 0 HB3 SER A 35 -18.783 -6.071 -1.134 1.00 0.00 H new ATOM 0 HG SER A 35 -17.780 -4.114 0.483 1.00 0.00 H new ATOM 567 N VAL A 36 -15.372 -3.974 -0.042 1.00 0.00 N ATOM 568 CA VAL A 36 -14.275 -3.036 -0.242 1.00 0.00 C ATOM 569 C VAL A 36 -12.938 -3.696 0.072 1.00 0.00 C ATOM 570 O VAL A 36 -11.939 -3.442 -0.600 1.00 0.00 O ATOM 571 CB VAL A 36 -14.418 -1.754 0.608 1.00 0.00 C ATOM 572 CG1 VAL A 36 -13.643 -0.619 -0.036 1.00 0.00 C ATOM 573 CG2 VAL A 36 -15.879 -1.366 0.789 1.00 0.00 C ATOM 0 H VAL A 36 -15.984 -3.752 0.743 1.00 0.00 H new ATOM 0 HA VAL A 36 -14.313 -2.746 -1.292 1.00 0.00 H new ATOM 0 HB VAL A 36 -14.006 -1.954 1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -13.748 0.282 0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -12.589 -0.890 -0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.034 -0.433 -1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -15.943 -0.460 1.392 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -16.331 -1.186 -0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.411 -2.174 1.291 1.00 0.00 H new ATOM 583 N GLY A 37 -12.925 -4.559 1.085 1.00 0.00 N ATOM 584 CA GLY A 37 -11.700 -5.251 1.444 1.00 0.00 C ATOM 585 C GLY A 37 -11.128 -6.004 0.264 1.00 0.00 C ATOM 586 O GLY A 37 -9.967 -5.818 -0.105 1.00 0.00 O ATOM 0 H GLY A 37 -13.735 -4.790 1.660 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.967 -4.532 1.809 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.898 -5.946 2.260 1.00 0.00 H new ATOM 590 N GLN A 38 -11.962 -6.837 -0.355 1.00 0.00 N ATOM 591 CA GLN A 38 -11.547 -7.593 -1.525 1.00 0.00 C ATOM 592 C GLN A 38 -11.169 -6.625 -2.639 1.00 0.00 C ATOM 593 O GLN A 38 -10.254 -6.880 -3.423 1.00 0.00 O ATOM 594 CB GLN A 38 -12.674 -8.524 -1.983 1.00 0.00 C ATOM 595 CG GLN A 38 -12.402 -9.216 -3.309 1.00 0.00 C ATOM 596 CD GLN A 38 -11.311 -10.264 -3.208 1.00 0.00 C ATOM 597 OE1 GLN A 38 -10.236 -10.114 -3.788 1.00 0.00 O ATOM 598 NE2 GLN A 38 -11.584 -11.332 -2.468 1.00 0.00 N ATOM 0 H GLN A 38 -12.925 -7.002 -0.064 1.00 0.00 H new ATOM 0 HA GLN A 38 -10.682 -8.206 -1.273 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -12.840 -9.281 -1.217 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -13.596 -7.948 -2.067 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -13.319 -9.685 -3.664 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -12.117 -8.471 -4.052 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -12.489 -11.414 -2.005 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -10.888 -12.071 -2.362 1.00 0.00 H new ATOM 607 N PHE A 39 -11.877 -5.497 -2.682 1.00 0.00 N ATOM 608 CA PHE A 39 -11.618 -4.465 -3.674 1.00 0.00 C ATOM 609 C PHE A 39 -10.230 -3.880 -3.466 1.00 0.00 C ATOM 610 O PHE A 39 -9.518 -3.576 -4.423 1.00 0.00 O ATOM 611 CB PHE A 39 -12.672 -3.359 -3.575 1.00 0.00 C ATOM 612 CG PHE A 39 -12.588 -2.350 -4.685 1.00 0.00 C ATOM 613 CD1 PHE A 39 -11.767 -1.240 -4.569 1.00 0.00 C ATOM 614 CD2 PHE A 39 -13.332 -2.512 -5.843 1.00 0.00 C ATOM 615 CE1 PHE A 39 -11.689 -0.310 -5.588 1.00 0.00 C ATOM 616 CE2 PHE A 39 -13.258 -1.585 -6.865 1.00 0.00 C ATOM 617 CZ PHE A 39 -12.435 -0.483 -6.738 1.00 0.00 C ATOM 0 H PHE A 39 -12.636 -5.278 -2.037 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.670 -4.912 -4.667 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.664 -3.812 -3.580 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -12.561 -2.846 -2.620 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -11.182 -1.100 -3.672 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -13.977 -3.372 -5.948 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -11.046 0.551 -5.486 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -13.843 -1.722 -7.762 1.00 0.00 H new ATOM 0 HZ PHE A 39 -12.375 0.242 -7.536 1.00 0.00 H new ATOM 627 N MET A 40 -9.855 -3.728 -2.202 1.00 0.00 N ATOM 628 CA MET A 40 -8.556 -3.177 -1.843 1.00 0.00 C ATOM 629 C MET A 40 -7.416 -4.044 -2.361 1.00 0.00 C ATOM 630 O MET A 40 -6.568 -3.582 -3.125 1.00 0.00 O ATOM 631 CB MET A 40 -8.443 -3.048 -0.327 1.00 0.00 C ATOM 632 CG MET A 40 -9.317 -1.958 0.259 1.00 0.00 C ATOM 633 SD MET A 40 -9.667 -2.214 2.008 1.00 0.00 S ATOM 634 CE MET A 40 -11.305 -1.503 2.124 1.00 0.00 C ATOM 0 H MET A 40 -10.437 -3.981 -1.404 1.00 0.00 H new ATOM 0 HA MET A 40 -8.477 -2.194 -2.307 1.00 0.00 H new ATOM 0 HB2 MET A 40 -8.710 -4.001 0.131 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.404 -2.848 -0.065 1.00 0.00 H new ATOM 0 HG2 MET A 40 -8.825 -0.994 0.128 1.00 0.00 H new ATOM 0 HG3 MET A 40 -10.256 -1.915 -0.293 1.00 0.00 H new ATOM 0 HE1 MET A 40 -11.365 -0.870 3.009 1.00 0.00 H new ATOM 0 HE2 MET A 40 -11.505 -0.904 1.236 1.00 0.00 H new ATOM 0 HE3 MET A 40 -12.044 -2.301 2.198 1.00 0.00 H new ATOM 644 N THR A 41 -7.392 -5.300 -1.928 1.00 0.00 N ATOM 645 CA THR A 41 -6.343 -6.228 -2.334 1.00 0.00 C ATOM 646 C THR A 41 -6.242 -6.332 -3.852 1.00 0.00 C ATOM 647 O THR A 41 -5.208 -6.017 -4.427 1.00 0.00 O ATOM 648 CB THR A 41 -6.604 -7.610 -1.743 1.00 0.00 C ATOM 649 OG1 THR A 41 -7.249 -7.506 -0.486 1.00 0.00 O ATOM 650 CG2 THR A 41 -5.345 -8.428 -1.551 1.00 0.00 C ATOM 0 H THR A 41 -8.087 -5.699 -1.296 1.00 0.00 H new ATOM 0 HA THR A 41 -5.397 -5.840 -1.956 1.00 0.00 H new ATOM 0 HB THR A 41 -7.238 -8.118 -2.469 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.409 -8.403 -0.125 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.603 -9.399 -1.128 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.854 -8.571 -2.513 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.671 -7.904 -0.874 1.00 0.00 H new ATOM 658 N PHE A 42 -7.320 -6.775 -4.495 1.00 0.00 N ATOM 659 CA PHE A 42 -7.344 -6.919 -5.950 1.00 0.00 C ATOM 660 C PHE A 42 -6.738 -5.695 -6.631 1.00 0.00 C ATOM 661 O PHE A 42 -5.958 -5.815 -7.577 1.00 0.00 O ATOM 662 CB PHE A 42 -8.779 -7.126 -6.439 1.00 0.00 C ATOM 663 CG PHE A 42 -8.879 -8.023 -7.639 1.00 0.00 C ATOM 664 CD1 PHE A 42 -9.007 -9.394 -7.486 1.00 0.00 C ATOM 665 CD2 PHE A 42 -8.842 -7.495 -8.919 1.00 0.00 C ATOM 666 CE1 PHE A 42 -9.098 -10.222 -8.589 1.00 0.00 C ATOM 667 CE2 PHE A 42 -8.932 -8.318 -10.025 1.00 0.00 C ATOM 668 CZ PHE A 42 -9.061 -9.683 -9.860 1.00 0.00 C ATOM 0 H PHE A 42 -8.189 -7.041 -4.032 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.746 -7.792 -6.211 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.373 -7.549 -5.629 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.215 -6.157 -6.682 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.036 -9.820 -6.494 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.742 -6.428 -9.054 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.198 -11.289 -8.457 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.901 -7.894 -11.018 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.133 -10.328 -10.723 1.00 0.00 H new ATOM 678 N PHE A 43 -7.095 -4.520 -6.131 1.00 0.00 N ATOM 679 CA PHE A 43 -6.587 -3.270 -6.675 1.00 0.00 C ATOM 680 C PHE A 43 -5.120 -3.082 -6.308 1.00 0.00 C ATOM 681 O PHE A 43 -4.335 -2.570 -7.103 1.00 0.00 O ATOM 682 CB PHE A 43 -7.414 -2.093 -6.152 1.00 0.00 C ATOM 683 CG PHE A 43 -7.652 -1.007 -7.164 1.00 0.00 C ATOM 684 CD1 PHE A 43 -7.916 -1.315 -8.490 1.00 0.00 C ATOM 685 CD2 PHE A 43 -7.616 0.325 -6.784 1.00 0.00 C ATOM 686 CE1 PHE A 43 -8.139 -0.315 -9.417 1.00 0.00 C ATOM 687 CE2 PHE A 43 -7.838 1.329 -7.707 1.00 0.00 C ATOM 688 CZ PHE A 43 -8.099 1.009 -9.024 1.00 0.00 C ATOM 0 H PHE A 43 -7.737 -4.407 -5.346 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.670 -3.308 -7.761 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.377 -2.467 -5.804 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.907 -1.664 -5.288 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.948 -2.349 -8.802 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.412 0.581 -5.755 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.344 -0.568 -10.447 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.807 2.363 -7.398 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.272 1.793 -9.747 1.00 0.00 H new ATOM 698 N ALA A 44 -4.759 -3.502 -5.098 1.00 0.00 N ATOM 699 CA ALA A 44 -3.384 -3.378 -4.618 1.00 0.00 C ATOM 700 C ALA A 44 -2.442 -4.317 -5.368 1.00 0.00 C ATOM 701 O ALA A 44 -1.306 -3.956 -5.701 1.00 0.00 O ATOM 702 CB ALA A 44 -3.330 -3.656 -3.126 1.00 0.00 C ATOM 0 H ALA A 44 -5.400 -3.932 -4.431 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.051 -2.357 -4.806 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.302 -3.562 -2.775 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.960 -2.939 -2.599 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.689 -4.667 -2.931 1.00 0.00 H new ATOM 708 N GLU A 45 -2.923 -5.520 -5.639 1.00 0.00 N ATOM 709 CA GLU A 45 -2.143 -6.513 -6.355 1.00 0.00 C ATOM 710 C GLU A 45 -1.935 -6.067 -7.795 1.00 0.00 C ATOM 711 O GLU A 45 -0.866 -6.264 -8.371 1.00 0.00 O ATOM 712 CB GLU A 45 -2.852 -7.866 -6.316 1.00 0.00 C ATOM 713 CG GLU A 45 -4.251 -7.829 -6.901 1.00 0.00 C ATOM 714 CD GLU A 45 -4.850 -9.212 -7.072 1.00 0.00 C ATOM 715 OE1 GLU A 45 -5.493 -9.703 -6.121 1.00 0.00 O ATOM 716 OE2 GLU A 45 -4.676 -9.804 -8.159 1.00 0.00 O ATOM 0 H GLU A 45 -3.856 -5.832 -5.371 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.170 -6.616 -5.874 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.256 -8.596 -6.864 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.907 -8.210 -5.283 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.896 -7.236 -6.253 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.223 -7.327 -7.868 1.00 0.00 H new ATOM 723 N THR A 46 -2.964 -5.449 -8.367 1.00 0.00 N ATOM 724 CA THR A 46 -2.891 -4.958 -9.735 1.00 0.00 C ATOM 725 C THR A 46 -1.828 -3.880 -9.850 1.00 0.00 C ATOM 726 O THR A 46 -0.939 -3.965 -10.690 1.00 0.00 O ATOM 727 CB THR A 46 -4.251 -4.407 -10.177 1.00 0.00 C ATOM 728 OG1 THR A 46 -5.112 -5.457 -10.577 1.00 0.00 O ATOM 729 CG2 THR A 46 -4.166 -3.421 -11.327 1.00 0.00 C ATOM 0 H THR A 46 -3.856 -5.277 -7.903 1.00 0.00 H new ATOM 0 HA THR A 46 -2.622 -5.788 -10.388 1.00 0.00 H new ATOM 0 HB THR A 46 -4.640 -3.883 -9.304 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.571 -5.821 -9.791 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.167 -3.075 -11.584 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.552 -2.570 -11.032 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.718 -3.909 -12.192 1.00 0.00 H new ATOM 737 N VAL A 47 -1.928 -2.859 -9.006 1.00 0.00 N ATOM 738 CA VAL A 47 -0.964 -1.763 -9.034 1.00 0.00 C ATOM 739 C VAL A 47 0.457 -2.287 -9.076 1.00 0.00 C ATOM 740 O VAL A 47 1.194 -2.036 -10.027 1.00 0.00 O ATOM 741 CB VAL A 47 -1.074 -0.807 -7.827 1.00 0.00 C ATOM 742 CG1 VAL A 47 -1.578 0.543 -8.263 1.00 0.00 C ATOM 743 CG2 VAL A 47 -1.956 -1.353 -6.730 1.00 0.00 C ATOM 0 H VAL A 47 -2.659 -2.766 -8.300 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.205 -1.205 -9.939 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.069 -0.707 -7.418 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.648 1.202 -7.398 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.888 0.971 -8.990 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.563 0.434 -8.717 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.997 -0.639 -5.907 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.961 -1.517 -7.119 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.548 -2.298 -6.371 1.00 0.00 H new ATOM 753 N ALA A 48 0.843 -3.023 -8.048 1.00 0.00 N ATOM 754 CA ALA A 48 2.183 -3.576 -8.002 1.00 0.00 C ATOM 755 C ALA A 48 2.452 -4.406 -9.254 1.00 0.00 C ATOM 756 O ALA A 48 3.590 -4.507 -9.713 1.00 0.00 O ATOM 757 CB ALA A 48 2.378 -4.387 -6.737 1.00 0.00 C ATOM 0 H ALA A 48 0.256 -3.249 -7.245 1.00 0.00 H new ATOM 0 HA ALA A 48 2.906 -2.761 -7.982 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.389 -4.795 -6.718 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.229 -3.747 -5.868 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.657 -5.204 -6.714 1.00 0.00 H new ATOM 763 N SER A 49 1.387 -4.985 -9.813 1.00 0.00 N ATOM 764 CA SER A 49 1.499 -5.790 -11.024 1.00 0.00 C ATOM 765 C SER A 49 1.569 -4.900 -12.268 1.00 0.00 C ATOM 766 O SER A 49 2.184 -5.268 -13.269 1.00 0.00 O ATOM 767 CB SER A 49 0.321 -6.762 -11.142 1.00 0.00 C ATOM 768 OG SER A 49 -0.798 -6.144 -11.755 1.00 0.00 O ATOM 0 H SER A 49 0.439 -4.909 -9.444 1.00 0.00 H new ATOM 0 HA SER A 49 2.422 -6.365 -10.956 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.622 -7.633 -11.724 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.043 -7.122 -10.151 1.00 0.00 H new ATOM 0 HG SER A 49 -0.841 -5.203 -11.484 1.00 0.00 H new ATOM 774 N ARG A 50 0.940 -3.725 -12.197 1.00 0.00 N ATOM 775 CA ARG A 50 0.940 -2.791 -13.319 1.00 0.00 C ATOM 776 C ARG A 50 2.164 -1.893 -13.274 1.00 0.00 C ATOM 777 O ARG A 50 2.674 -1.471 -14.312 1.00 0.00 O ATOM 778 CB ARG A 50 -0.334 -1.943 -13.335 1.00 0.00 C ATOM 779 CG ARG A 50 -0.422 -0.977 -12.173 1.00 0.00 C ATOM 780 CD ARG A 50 -1.659 -0.094 -12.245 1.00 0.00 C ATOM 781 NE ARG A 50 -2.825 -0.812 -12.757 1.00 0.00 N ATOM 782 CZ ARG A 50 -3.868 -0.219 -13.332 1.00 0.00 C ATOM 783 NH1 ARG A 50 -3.901 1.101 -13.467 1.00 0.00 N ATOM 784 NH2 ARG A 50 -4.883 -0.948 -13.773 1.00 0.00 N ATOM 0 H ARG A 50 0.427 -3.401 -11.377 1.00 0.00 H new ATOM 0 HA ARG A 50 0.971 -3.379 -14.236 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.378 -1.383 -14.269 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.202 -2.602 -13.318 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.433 -1.537 -11.238 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.469 -0.349 -12.158 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.883 0.296 -11.252 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.453 0.764 -12.885 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.840 -1.828 -12.668 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.123 1.668 -13.129 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.704 1.549 -13.909 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.864 -1.963 -13.671 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.683 -0.494 -14.214 1.00 0.00 H new ATOM 798 N THR A 51 2.645 -1.616 -12.069 1.00 0.00 N ATOM 799 CA THR A 51 3.818 -0.786 -11.911 1.00 0.00 C ATOM 800 C THR A 51 5.058 -1.608 -12.233 1.00 0.00 C ATOM 801 O THR A 51 5.448 -2.492 -11.468 1.00 0.00 O ATOM 802 CB THR A 51 3.874 -0.231 -10.489 1.00 0.00 C ATOM 803 OG1 THR A 51 2.695 0.500 -10.208 1.00 0.00 O ATOM 804 CG2 THR A 51 5.050 0.691 -10.243 1.00 0.00 C ATOM 0 H THR A 51 2.240 -1.954 -11.196 1.00 0.00 H new ATOM 0 HA THR A 51 3.773 0.059 -12.598 1.00 0.00 H new ATOM 0 HB THR A 51 3.980 -1.100 -9.839 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.946 -0.121 -10.087 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.025 1.046 -9.213 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.980 0.149 -10.417 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.993 1.542 -10.922 1.00 0.00 H new ATOM 812 N GLY A 52 5.658 -1.333 -13.386 1.00 0.00 N ATOM 813 CA GLY A 52 6.831 -2.076 -13.816 1.00 0.00 C ATOM 814 C GLY A 52 8.126 -1.594 -13.190 1.00 0.00 C ATOM 815 O GLY A 52 9.155 -1.533 -13.863 1.00 0.00 O ATOM 0 H GLY A 52 5.353 -0.606 -14.033 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.691 -3.129 -13.573 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.915 -2.007 -14.901 1.00 0.00 H new ATOM 819 N ALA A 53 8.086 -1.266 -11.903 1.00 0.00 N ATOM 820 CA ALA A 53 9.279 -0.803 -11.199 1.00 0.00 C ATOM 821 C ALA A 53 9.880 0.432 -11.862 1.00 0.00 C ATOM 822 O ALA A 53 9.670 0.680 -13.049 1.00 0.00 O ATOM 823 CB ALA A 53 10.312 -1.917 -11.131 1.00 0.00 C ATOM 0 H ALA A 53 7.245 -1.311 -11.327 1.00 0.00 H new ATOM 0 HA ALA A 53 8.982 -0.525 -10.188 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.197 -1.561 -10.604 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.892 -2.771 -10.599 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.588 -2.219 -12.141 1.00 0.00 H new ATOM 829 N GLY A 54 10.630 1.205 -11.084 1.00 0.00 N ATOM 830 CA GLY A 54 11.250 2.404 -11.609 1.00 0.00 C ATOM 831 C GLY A 54 10.245 3.505 -11.867 1.00 0.00 C ATOM 832 O GLY A 54 10.554 4.493 -12.532 1.00 0.00 O ATOM 0 H GLY A 54 10.819 1.021 -10.099 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.002 2.760 -10.905 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.770 2.165 -12.537 1.00 0.00 H new ATOM 836 N GLU A 55 9.035 3.336 -11.342 1.00 0.00 N ATOM 837 CA GLU A 55 7.987 4.328 -11.526 1.00 0.00 C ATOM 838 C GLU A 55 6.906 4.199 -10.460 1.00 0.00 C ATOM 839 O GLU A 55 6.825 3.192 -9.757 1.00 0.00 O ATOM 840 CB GLU A 55 7.363 4.189 -12.915 1.00 0.00 C ATOM 841 CG GLU A 55 7.118 2.749 -13.333 1.00 0.00 C ATOM 842 CD GLU A 55 6.486 2.640 -14.708 1.00 0.00 C ATOM 843 OE1 GLU A 55 6.875 3.418 -15.604 1.00 0.00 O ATOM 844 OE2 GLU A 55 5.601 1.777 -14.888 1.00 0.00 O ATOM 0 H GLU A 55 8.759 2.525 -10.789 1.00 0.00 H new ATOM 0 HA GLU A 55 8.443 5.313 -11.431 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.417 4.730 -12.934 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.017 4.664 -13.646 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.064 2.207 -13.328 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.471 2.267 -12.600 1.00 0.00 H new ATOM 851 N ARG A 56 6.072 5.229 -10.353 1.00 0.00 N ATOM 852 CA ARG A 56 4.986 5.240 -9.381 1.00 0.00 C ATOM 853 C ARG A 56 3.635 5.217 -10.092 1.00 0.00 C ATOM 854 O ARG A 56 3.478 5.806 -11.161 1.00 0.00 O ATOM 855 CB ARG A 56 5.085 6.475 -8.481 1.00 0.00 C ATOM 856 CG ARG A 56 5.557 7.728 -9.202 1.00 0.00 C ATOM 857 CD ARG A 56 5.172 8.989 -8.444 1.00 0.00 C ATOM 858 NE ARG A 56 4.426 9.925 -9.280 1.00 0.00 N ATOM 859 CZ ARG A 56 4.288 11.220 -9.004 1.00 0.00 C ATOM 860 NH1 ARG A 56 4.842 11.737 -7.914 1.00 0.00 N ATOM 861 NH2 ARG A 56 3.592 12.001 -9.820 1.00 0.00 N ATOM 0 H ARG A 56 6.129 6.069 -10.930 1.00 0.00 H new ATOM 0 HA ARG A 56 5.071 4.348 -8.761 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.108 6.669 -8.038 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.770 6.260 -7.661 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.640 7.692 -9.324 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.125 7.758 -10.202 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.571 8.720 -7.576 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.073 9.476 -8.070 1.00 0.00 H new ATOM 0 HE ARG A 56 3.984 9.565 -10.126 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.377 11.141 -7.282 1.00 0.00 H new ATOM 0 HH12 ARG A 56 4.733 12.730 -7.708 1.00 0.00 H new ATOM 0 HH21 ARG A 56 3.163 11.609 -10.658 1.00 0.00 H new ATOM 0 HH22 ARG A 56 3.486 12.993 -9.609 1.00 0.00 H new ATOM 875 N GLN A 57 2.663 4.532 -9.496 1.00 0.00 N ATOM 876 CA GLN A 57 1.331 4.436 -10.088 1.00 0.00 C ATOM 877 C GLN A 57 0.251 4.909 -9.126 1.00 0.00 C ATOM 878 O GLN A 57 0.239 4.548 -7.953 1.00 0.00 O ATOM 879 CB GLN A 57 1.019 2.996 -10.516 1.00 0.00 C ATOM 880 CG GLN A 57 1.772 2.553 -11.761 1.00 0.00 C ATOM 881 CD GLN A 57 1.294 3.261 -13.014 1.00 0.00 C ATOM 882 OE1 GLN A 57 0.632 4.297 -12.942 1.00 0.00 O ATOM 883 NE2 GLN A 57 1.630 2.705 -14.172 1.00 0.00 N ATOM 0 H GLN A 57 2.771 4.038 -8.610 1.00 0.00 H new ATOM 0 HA GLN A 57 1.332 5.085 -10.964 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.262 2.321 -9.695 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.052 2.904 -10.697 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.837 2.743 -11.624 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.654 1.477 -11.889 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.180 1.846 -14.185 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.338 3.137 -15.049 1.00 0.00 H new ATOM 892 N SER A 58 -0.680 5.687 -9.649 1.00 0.00 N ATOM 893 CA SER A 58 -1.792 6.169 -8.865 1.00 0.00 C ATOM 894 C SER A 58 -3.080 5.805 -9.589 1.00 0.00 C ATOM 895 O SER A 58 -3.449 6.435 -10.579 1.00 0.00 O ATOM 896 CB SER A 58 -1.701 7.683 -8.659 1.00 0.00 C ATOM 897 OG SER A 58 -0.654 8.013 -7.763 1.00 0.00 O ATOM 0 H SER A 58 -0.683 5.998 -10.621 1.00 0.00 H new ATOM 0 HA SER A 58 -1.774 5.705 -7.879 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.532 8.174 -9.617 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.648 8.058 -8.271 1.00 0.00 H new ATOM 0 HG SER A 58 -1.015 8.100 -6.856 1.00 0.00 H new ATOM 903 N ILE A 59 -3.739 4.764 -9.105 1.00 0.00 N ATOM 904 CA ILE A 59 -4.970 4.283 -9.724 1.00 0.00 C ATOM 905 C ILE A 59 -6.198 4.940 -9.115 1.00 0.00 C ATOM 906 O ILE A 59 -6.581 4.643 -7.985 1.00 0.00 O ATOM 907 CB ILE A 59 -5.106 2.745 -9.615 1.00 0.00 C ATOM 908 CG1 ILE A 59 -4.214 2.203 -8.503 1.00 0.00 C ATOM 909 CG2 ILE A 59 -4.753 2.087 -10.936 1.00 0.00 C ATOM 910 CD1 ILE A 59 -4.475 0.758 -8.159 1.00 0.00 C ATOM 0 H ILE A 59 -3.444 4.234 -8.285 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.909 4.556 -10.778 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.143 2.511 -9.372 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.171 2.313 -8.801 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.355 2.810 -7.609 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.854 1.006 -10.842 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.426 2.448 -11.714 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.725 2.334 -11.202 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.802 0.447 -7.360 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.507 0.643 -7.828 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.305 0.138 -9.039 1.00 0.00 H new ATOM 922 N GLU A 60 -6.814 5.828 -9.886 1.00 0.00 N ATOM 923 CA GLU A 60 -8.011 6.532 -9.441 1.00 0.00 C ATOM 924 C GLU A 60 -9.261 5.828 -9.953 1.00 0.00 C ATOM 925 O GLU A 60 -9.468 5.713 -11.160 1.00 0.00 O ATOM 926 CB GLU A 60 -7.988 7.982 -9.927 1.00 0.00 C ATOM 927 CG GLU A 60 -6.675 8.697 -9.653 1.00 0.00 C ATOM 928 CD GLU A 60 -6.207 9.529 -10.831 1.00 0.00 C ATOM 929 OE1 GLU A 60 -6.829 10.579 -11.100 1.00 0.00 O ATOM 930 OE2 GLU A 60 -5.219 9.131 -11.484 1.00 0.00 O ATOM 0 H GLU A 60 -6.504 6.078 -10.825 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.028 6.528 -8.351 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.184 8.000 -10.999 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.798 8.530 -9.445 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.791 9.341 -8.781 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.910 7.961 -9.406 1.00 0.00 H new ATOM 937 N GLU A 61 -10.087 5.346 -9.031 1.00 0.00 N ATOM 938 CA GLU A 61 -11.310 4.637 -9.409 1.00 0.00 C ATOM 939 C GLU A 61 -12.568 5.359 -8.927 1.00 0.00 C ATOM 940 O GLU A 61 -12.929 5.282 -7.754 1.00 0.00 O ATOM 941 CB GLU A 61 -11.284 3.212 -8.851 1.00 0.00 C ATOM 942 CG GLU A 61 -10.885 2.166 -9.880 1.00 0.00 C ATOM 943 CD GLU A 61 -11.976 1.906 -10.899 1.00 0.00 C ATOM 944 OE1 GLU A 61 -12.760 2.836 -11.182 1.00 0.00 O ATOM 945 OE2 GLU A 61 -12.048 0.770 -11.415 1.00 0.00 O ATOM 0 H GLU A 61 -9.937 5.430 -8.026 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.344 4.607 -10.498 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.588 3.171 -8.013 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.270 2.966 -8.458 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.982 2.494 -10.395 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.640 1.235 -9.370 1.00 0.00 H new ATOM 952 N GLY A 62 -13.239 6.040 -9.858 1.00 0.00 N ATOM 953 CA GLY A 62 -14.465 6.759 -9.549 1.00 0.00 C ATOM 954 C GLY A 62 -14.249 7.902 -8.582 1.00 0.00 C ATOM 955 O GLY A 62 -14.459 9.067 -8.921 1.00 0.00 O ATOM 0 H GLY A 62 -12.948 6.105 -10.834 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.895 7.147 -10.472 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.191 6.064 -9.126 1.00 0.00 H new ATOM 959 N ASN A 63 -13.828 7.559 -7.380 1.00 0.00 N ATOM 960 CA ASN A 63 -13.573 8.545 -6.337 1.00 0.00 C ATOM 961 C ASN A 63 -12.507 8.045 -5.364 1.00 0.00 C ATOM 962 O ASN A 63 -12.382 8.552 -4.248 1.00 0.00 O ATOM 963 CB ASN A 63 -14.866 8.863 -5.580 1.00 0.00 C ATOM 964 CG ASN A 63 -15.175 10.348 -5.557 1.00 0.00 C ATOM 965 OD1 ASN A 63 -14.296 11.180 -5.781 1.00 0.00 O ATOM 966 ND2 ASN A 63 -16.430 10.687 -5.287 1.00 0.00 N ATOM 0 H ASN A 63 -13.653 6.595 -7.096 1.00 0.00 H new ATOM 0 HA ASN A 63 -13.206 9.455 -6.812 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -15.696 8.330 -6.044 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.784 8.496 -4.557 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -16.698 11.671 -5.259 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -17.126 9.964 -5.107 1.00 0.00 H new ATOM 973 N TYR A 64 -11.738 7.050 -5.797 1.00 0.00 N ATOM 974 CA TYR A 64 -10.679 6.482 -4.976 1.00 0.00 C ATOM 975 C TYR A 64 -9.327 6.683 -5.648 1.00 0.00 C ATOM 976 O TYR A 64 -9.245 7.253 -6.734 1.00 0.00 O ATOM 977 CB TYR A 64 -10.920 4.986 -4.752 1.00 0.00 C ATOM 978 CG TYR A 64 -12.028 4.672 -3.769 1.00 0.00 C ATOM 979 CD1 TYR A 64 -13.308 5.181 -3.947 1.00 0.00 C ATOM 980 CD2 TYR A 64 -11.793 3.860 -2.666 1.00 0.00 C ATOM 981 CE1 TYR A 64 -14.322 4.887 -3.055 1.00 0.00 C ATOM 982 CE2 TYR A 64 -12.802 3.563 -1.768 1.00 0.00 C ATOM 983 CZ TYR A 64 -14.064 4.080 -1.969 1.00 0.00 C ATOM 984 OH TYR A 64 -15.072 3.788 -1.080 1.00 0.00 O ATOM 0 H TYR A 64 -11.831 6.620 -6.717 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.682 6.992 -4.012 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -11.157 4.521 -5.709 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.996 4.531 -4.397 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -13.514 5.816 -4.796 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -10.805 3.454 -2.507 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -15.313 5.288 -3.209 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -12.603 2.931 -0.915 1.00 0.00 H new ATOM 0 HH TYR A 64 -15.323 2.845 -1.168 1.00 0.00 H new ATOM 994 N ILE A 65 -8.274 6.202 -5.003 1.00 0.00 N ATOM 995 CA ILE A 65 -6.928 6.316 -5.547 1.00 0.00 C ATOM 996 C ILE A 65 -6.034 5.204 -5.024 1.00 0.00 C ATOM 997 O ILE A 65 -6.197 4.735 -3.900 1.00 0.00 O ATOM 998 CB ILE A 65 -6.275 7.675 -5.208 1.00 0.00 C ATOM 999 CG1 ILE A 65 -6.834 8.766 -6.123 1.00 0.00 C ATOM 1000 CG2 ILE A 65 -4.751 7.593 -5.339 1.00 0.00 C ATOM 1001 CD1 ILE A 65 -5.885 9.926 -6.326 1.00 0.00 C ATOM 0 H ILE A 65 -8.326 5.728 -4.101 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.028 6.236 -6.629 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.512 7.927 -4.174 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.074 8.329 -7.092 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.767 9.140 -5.702 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.312 8.561 -5.096 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.367 6.838 -4.653 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.488 7.322 -6.361 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.346 10.662 -6.985 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.664 10.388 -5.364 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.960 9.565 -6.776 1.00 0.00 H new ATOM 1013 N GLY A 66 -5.072 4.811 -5.845 1.00 0.00 N ATOM 1014 CA GLY A 66 -4.140 3.781 -5.446 1.00 0.00 C ATOM 1015 C GLY A 66 -2.711 4.147 -5.772 1.00 0.00 C ATOM 1016 O GLY A 66 -2.183 3.760 -6.815 1.00 0.00 O ATOM 0 H GLY A 66 -4.921 5.188 -6.781 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.233 3.605 -4.374 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.397 2.847 -5.946 1.00 0.00 H new ATOM 1020 N HIS A 67 -2.083 4.897 -4.874 1.00 0.00 N ATOM 1021 CA HIS A 67 -0.708 5.317 -5.068 1.00 0.00 C ATOM 1022 C HIS A 67 0.217 4.104 -5.161 1.00 0.00 C ATOM 1023 O HIS A 67 -0.101 3.033 -4.647 1.00 0.00 O ATOM 1024 CB HIS A 67 -0.255 6.227 -3.925 1.00 0.00 C ATOM 1025 CG HIS A 67 -1.193 7.360 -3.646 1.00 0.00 C ATOM 1026 ND1 HIS A 67 -1.375 8.418 -4.512 1.00 0.00 N ATOM 1027 CD2 HIS A 67 -2.002 7.600 -2.587 1.00 0.00 C ATOM 1028 CE1 HIS A 67 -2.254 9.260 -3.996 1.00 0.00 C ATOM 1029 NE2 HIS A 67 -2.650 8.785 -2.830 1.00 0.00 N ATOM 0 H HIS A 67 -2.507 5.225 -4.006 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.655 5.874 -6.003 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.143 5.630 -3.020 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.728 6.632 -4.164 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.116 6.975 -1.714 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.591 10.180 -4.451 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -3.328 9.227 -2.210 1.00 0.00 H new ATOM 1038 N VAL A 68 1.355 4.271 -5.823 1.00 0.00 N ATOM 1039 CA VAL A 68 2.306 3.178 -5.980 1.00 0.00 C ATOM 1040 C VAL A 68 3.734 3.698 -6.135 1.00 0.00 C ATOM 1041 O VAL A 68 3.982 4.656 -6.863 1.00 0.00 O ATOM 1042 CB VAL A 68 1.938 2.301 -7.205 1.00 0.00 C ATOM 1043 CG1 VAL A 68 3.151 1.653 -7.839 1.00 0.00 C ATOM 1044 CG2 VAL A 68 0.960 1.222 -6.827 1.00 0.00 C ATOM 0 H VAL A 68 1.641 5.148 -6.258 1.00 0.00 H new ATOM 0 HA VAL A 68 2.254 2.572 -5.075 1.00 0.00 H new ATOM 0 HB VAL A 68 1.485 2.977 -7.931 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.838 1.050 -8.692 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.842 2.426 -8.175 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.647 1.016 -7.107 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.721 0.624 -7.706 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.401 0.583 -6.062 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.049 1.677 -6.439 1.00 0.00 H new ATOM 1054 N TYR A 69 4.668 3.031 -5.466 1.00 0.00 N ATOM 1055 CA TYR A 69 6.079 3.388 -5.546 1.00 0.00 C ATOM 1056 C TYR A 69 6.923 2.120 -5.567 1.00 0.00 C ATOM 1057 O TYR A 69 6.982 1.382 -4.582 1.00 0.00 O ATOM 1058 CB TYR A 69 6.489 4.280 -4.373 1.00 0.00 C ATOM 1059 CG TYR A 69 6.455 5.758 -4.696 1.00 0.00 C ATOM 1060 CD1 TYR A 69 5.259 6.393 -5.008 1.00 0.00 C ATOM 1061 CD2 TYR A 69 7.618 6.516 -4.691 1.00 0.00 C ATOM 1062 CE1 TYR A 69 5.224 7.743 -5.306 1.00 0.00 C ATOM 1063 CE2 TYR A 69 7.591 7.866 -4.988 1.00 0.00 C ATOM 1064 CZ TYR A 69 6.392 8.474 -5.294 1.00 0.00 C ATOM 1065 OH TYR A 69 6.361 9.817 -5.590 1.00 0.00 O ATOM 0 H TYR A 69 4.471 2.235 -4.859 1.00 0.00 H new ATOM 0 HA TYR A 69 6.245 3.950 -6.465 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.826 4.085 -3.530 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.496 4.009 -4.056 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.342 5.823 -5.018 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.559 6.043 -4.451 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.286 8.222 -5.547 1.00 0.00 H new ATOM 0 HE2 TYR A 69 8.505 8.442 -4.980 1.00 0.00 H new ATOM 0 HH TYR A 69 6.508 10.336 -4.772 1.00 0.00 H new ATOM 1075 N ALA A 70 7.551 1.859 -6.706 1.00 0.00 N ATOM 1076 CA ALA A 70 8.365 0.665 -6.872 1.00 0.00 C ATOM 1077 C ALA A 70 9.849 0.997 -6.968 1.00 0.00 C ATOM 1078 O ALA A 70 10.228 2.101 -7.359 1.00 0.00 O ATOM 1079 CB ALA A 70 7.914 -0.090 -8.110 1.00 0.00 C ATOM 0 H ALA A 70 7.511 2.460 -7.529 1.00 0.00 H new ATOM 0 HA ALA A 70 8.230 0.040 -5.990 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.525 -0.984 -8.233 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.868 -0.377 -8.000 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.025 0.549 -8.986 1.00 0.00 H new ATOM 1085 N ARG A 71 10.684 0.023 -6.614 1.00 0.00 N ATOM 1086 CA ARG A 71 12.130 0.197 -6.666 1.00 0.00 C ATOM 1087 C ARG A 71 12.714 -0.545 -7.864 1.00 0.00 C ATOM 1088 O ARG A 71 12.021 -1.320 -8.523 1.00 0.00 O ATOM 1089 CB ARG A 71 12.774 -0.305 -5.373 1.00 0.00 C ATOM 1090 CG ARG A 71 14.020 0.469 -4.973 1.00 0.00 C ATOM 1091 CD ARG A 71 13.768 1.348 -3.757 1.00 0.00 C ATOM 1092 NE ARG A 71 14.944 1.438 -2.894 1.00 0.00 N ATOM 1093 CZ ARG A 71 16.082 2.030 -3.252 1.00 0.00 C ATOM 1094 NH1 ARG A 71 16.200 2.590 -4.449 1.00 0.00 N ATOM 1095 NH2 ARG A 71 17.103 2.064 -2.407 1.00 0.00 N ATOM 0 H ARG A 71 10.382 -0.895 -6.288 1.00 0.00 H new ATOM 0 HA ARG A 71 12.344 1.260 -6.775 1.00 0.00 H new ATOM 0 HB2 ARG A 71 12.044 -0.244 -4.566 1.00 0.00 H new ATOM 0 HB3 ARG A 71 13.032 -1.357 -5.490 1.00 0.00 H new ATOM 0 HG2 ARG A 71 14.829 -0.229 -4.757 1.00 0.00 H new ATOM 0 HG3 ARG A 71 14.348 1.088 -5.808 1.00 0.00 H new ATOM 0 HD2 ARG A 71 13.482 2.347 -4.085 1.00 0.00 H new ATOM 0 HD3 ARG A 71 12.930 0.947 -3.187 1.00 0.00 H new ATOM 0 HE ARG A 71 14.890 1.023 -1.964 1.00 0.00 H new ATOM 0 HH11 ARG A 71 15.416 2.569 -5.101 1.00 0.00 H new ATOM 0 HH12 ARG A 71 17.074 3.042 -4.717 1.00 0.00 H new ATOM 0 HH21 ARG A 71 17.016 1.637 -1.485 1.00 0.00 H new ATOM 0 HH22 ARG A 71 17.975 2.517 -2.679 1.00 0.00 H new ATOM 1109 N SER A 72 13.990 -0.302 -8.146 1.00 0.00 N ATOM 1110 CA SER A 72 14.657 -0.948 -9.269 1.00 0.00 C ATOM 1111 C SER A 72 15.097 -2.371 -8.921 1.00 0.00 C ATOM 1112 O SER A 72 15.658 -3.073 -9.763 1.00 0.00 O ATOM 1113 CB SER A 72 15.869 -0.123 -9.708 1.00 0.00 C ATOM 1114 OG SER A 72 15.474 1.155 -10.174 1.00 0.00 O ATOM 0 H SER A 72 14.581 0.336 -7.613 1.00 0.00 H new ATOM 0 HA SER A 72 13.941 -1.008 -10.088 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.559 -0.011 -8.872 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.406 -0.651 -10.496 1.00 0.00 H new ATOM 0 HG SER A 72 16.266 1.663 -10.447 1.00 0.00 H new ATOM 1120 N GLU A 73 14.848 -2.794 -7.682 1.00 0.00 N ATOM 1121 CA GLU A 73 15.233 -4.133 -7.249 1.00 0.00 C ATOM 1122 C GLU A 73 14.310 -5.196 -7.842 1.00 0.00 C ATOM 1123 O GLU A 73 14.698 -5.921 -8.759 1.00 0.00 O ATOM 1124 CB GLU A 73 15.231 -4.224 -5.723 1.00 0.00 C ATOM 1125 CG GLU A 73 16.500 -3.681 -5.082 1.00 0.00 C ATOM 1126 CD GLU A 73 17.757 -4.315 -5.645 1.00 0.00 C ATOM 1127 OE1 GLU A 73 17.970 -5.522 -5.408 1.00 0.00 O ATOM 1128 OE2 GLU A 73 18.527 -3.603 -6.323 1.00 0.00 O ATOM 0 H GLU A 73 14.385 -2.233 -6.967 1.00 0.00 H new ATOM 0 HA GLU A 73 16.243 -4.322 -7.613 1.00 0.00 H new ATOM 0 HB2 GLU A 73 14.373 -3.674 -5.335 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.102 -5.266 -5.429 1.00 0.00 H new ATOM 0 HG2 GLU A 73 16.544 -2.602 -5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 73 16.461 -3.853 -4.006 1.00 0.00 H new ATOM 1135 N GLY A 74 13.089 -5.292 -7.317 1.00 0.00 N ATOM 1136 CA GLY A 74 12.149 -6.280 -7.822 1.00 0.00 C ATOM 1137 C GLY A 74 10.794 -6.232 -7.136 1.00 0.00 C ATOM 1138 O GLY A 74 9.774 -6.550 -7.749 1.00 0.00 O ATOM 0 H GLY A 74 12.737 -4.709 -6.558 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.011 -6.126 -8.892 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.576 -7.275 -7.696 1.00 0.00 H new ATOM 1142 N ILE A 75 10.776 -5.840 -5.866 1.00 0.00 N ATOM 1143 CA ILE A 75 9.528 -5.760 -5.108 1.00 0.00 C ATOM 1144 C ILE A 75 9.146 -4.300 -4.867 1.00 0.00 C ATOM 1145 O ILE A 75 9.989 -3.473 -4.519 1.00 0.00 O ATOM 1146 CB ILE A 75 9.620 -6.543 -3.763 1.00 0.00 C ATOM 1147 CG1 ILE A 75 8.831 -5.850 -2.636 1.00 0.00 C ATOM 1148 CG2 ILE A 75 11.071 -6.744 -3.351 1.00 0.00 C ATOM 1149 CD1 ILE A 75 9.657 -4.890 -1.798 1.00 0.00 C ATOM 0 H ILE A 75 11.608 -5.573 -5.340 1.00 0.00 H new ATOM 0 HA ILE A 75 8.745 -6.231 -5.702 1.00 0.00 H new ATOM 0 HB ILE A 75 9.165 -7.519 -3.929 1.00 0.00 H new ATOM 0 HG12 ILE A 75 7.995 -5.305 -3.075 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.407 -6.612 -1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.109 -7.293 -2.410 1.00 0.00 H new ATOM 0 HG22 ILE A 75 11.593 -7.310 -4.122 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.551 -5.774 -3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 75 9.027 -4.445 -1.028 1.00 0.00 H new ATOM 0 HD12 ILE A 75 10.478 -5.431 -1.328 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.060 -4.104 -2.436 1.00 0.00 H new ATOM 1161 N CYS A 76 7.869 -3.989 -5.079 1.00 0.00 N ATOM 1162 CA CYS A 76 7.374 -2.626 -4.913 1.00 0.00 C ATOM 1163 C CYS A 76 6.304 -2.535 -3.829 1.00 0.00 C ATOM 1164 O CYS A 76 5.629 -3.515 -3.519 1.00 0.00 O ATOM 1165 CB CYS A 76 6.807 -2.120 -6.239 1.00 0.00 C ATOM 1166 SG CYS A 76 5.313 -2.983 -6.783 1.00 0.00 S ATOM 0 H CYS A 76 7.159 -4.663 -5.366 1.00 0.00 H new ATOM 0 HA CYS A 76 8.214 -2.004 -4.603 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.585 -1.057 -6.145 1.00 0.00 H new ATOM 0 HB3 CYS A 76 7.571 -2.219 -7.010 1.00 0.00 H new ATOM 0 HG CYS A 76 5.148 -2.802 -8.060 1.00 0.00 H new ATOM 1172 N GLY A 77 6.144 -1.336 -3.276 1.00 0.00 N ATOM 1173 CA GLY A 77 5.140 -1.117 -2.250 1.00 0.00 C ATOM 1174 C GLY A 77 3.919 -0.423 -2.813 1.00 0.00 C ATOM 1175 O GLY A 77 4.047 0.494 -3.625 1.00 0.00 O ATOM 0 H GLY A 77 6.692 -0.511 -3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.849 -2.072 -1.814 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.564 -0.516 -1.446 1.00 0.00 H new ATOM 1179 N VAL A 78 2.730 -0.863 -2.409 1.00 0.00 N ATOM 1180 CA VAL A 78 1.509 -0.265 -2.923 1.00 0.00 C ATOM 1181 C VAL A 78 0.731 0.486 -1.843 1.00 0.00 C ATOM 1182 O VAL A 78 0.688 0.079 -0.679 1.00 0.00 O ATOM 1183 CB VAL A 78 0.603 -1.330 -3.588 1.00 0.00 C ATOM 1184 CG1 VAL A 78 -0.881 -1.040 -3.380 1.00 0.00 C ATOM 1185 CG2 VAL A 78 0.923 -1.444 -5.068 1.00 0.00 C ATOM 0 H VAL A 78 2.590 -1.619 -1.739 1.00 0.00 H new ATOM 0 HA VAL A 78 1.813 0.461 -3.677 1.00 0.00 H new ATOM 0 HB VAL A 78 0.812 -2.283 -3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.475 -1.815 -3.865 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.103 -1.027 -2.313 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.126 -0.070 -3.813 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.279 -2.196 -5.523 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.755 -0.482 -5.552 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.966 -1.736 -5.193 1.00 0.00 H new ATOM 1195 N LEU A 79 0.110 1.583 -2.259 1.00 0.00 N ATOM 1196 CA LEU A 79 -0.687 2.415 -1.368 1.00 0.00 C ATOM 1197 C LEU A 79 -2.010 2.776 -2.038 1.00 0.00 C ATOM 1198 O LEU A 79 -2.029 3.175 -3.198 1.00 0.00 O ATOM 1199 CB LEU A 79 0.087 3.687 -1.014 1.00 0.00 C ATOM 1200 CG LEU A 79 0.349 3.890 0.481 1.00 0.00 C ATOM 1201 CD1 LEU A 79 1.841 3.940 0.769 1.00 0.00 C ATOM 1202 CD2 LEU A 79 -0.336 5.157 0.970 1.00 0.00 C ATOM 0 H LEU A 79 0.145 1.920 -3.221 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.895 1.861 -0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.044 3.669 -1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.466 4.547 -1.391 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.068 3.040 1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.001 4.085 1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.303 3.004 0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.290 4.767 0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.141 5.288 2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.052 6.015 0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.410 5.077 0.805 1.00 0.00 H new ATOM 1214 N ILE A 80 -3.117 2.630 -1.319 1.00 0.00 N ATOM 1215 CA ILE A 80 -4.422 2.948 -1.894 1.00 0.00 C ATOM 1216 C ILE A 80 -5.279 3.764 -0.936 1.00 0.00 C ATOM 1217 O ILE A 80 -5.604 3.318 0.164 1.00 0.00 O ATOM 1218 CB ILE A 80 -5.200 1.680 -2.329 1.00 0.00 C ATOM 1219 CG1 ILE A 80 -4.451 0.412 -1.922 1.00 0.00 C ATOM 1220 CG2 ILE A 80 -5.432 1.694 -3.833 1.00 0.00 C ATOM 1221 CD1 ILE A 80 -5.059 -0.858 -2.480 1.00 0.00 C ATOM 0 H ILE A 80 -3.141 2.300 -0.354 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.217 3.546 -2.782 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.165 1.683 -1.822 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.417 0.488 -2.258 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.429 0.347 -0.834 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.979 0.798 -4.125 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.011 2.577 -4.104 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.472 1.717 -4.349 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.475 -1.717 -2.150 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.084 -0.958 -2.123 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.056 -0.815 -3.569 1.00 0.00 H new ATOM 1233 N THR A 81 -5.647 4.965 -1.374 1.00 0.00 N ATOM 1234 CA THR A 81 -6.473 5.856 -0.571 1.00 0.00 C ATOM 1235 C THR A 81 -7.479 6.599 -1.449 1.00 0.00 C ATOM 1236 O THR A 81 -7.549 6.366 -2.653 1.00 0.00 O ATOM 1237 CB THR A 81 -5.599 6.846 0.204 1.00 0.00 C ATOM 1238 OG1 THR A 81 -6.354 7.963 0.635 1.00 0.00 O ATOM 1239 CG2 THR A 81 -4.427 7.366 -0.593 1.00 0.00 C ATOM 0 H THR A 81 -5.384 5.343 -2.284 1.00 0.00 H new ATOM 0 HA THR A 81 -7.029 5.253 0.147 1.00 0.00 H new ATOM 0 HB THR A 81 -5.217 6.279 1.053 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.847 8.460 1.311 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.852 8.062 0.018 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.791 6.532 -0.890 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.791 7.880 -1.483 1.00 0.00 H new ATOM 1247 N ASP A 82 -8.260 7.486 -0.843 1.00 0.00 N ATOM 1248 CA ASP A 82 -9.264 8.249 -1.577 1.00 0.00 C ATOM 1249 C ASP A 82 -8.629 9.403 -2.342 1.00 0.00 C ATOM 1250 O ASP A 82 -7.486 9.780 -2.084 1.00 0.00 O ATOM 1251 CB ASP A 82 -10.327 8.782 -0.616 1.00 0.00 C ATOM 1252 CG ASP A 82 -11.625 9.122 -1.323 1.00 0.00 C ATOM 1253 OD1 ASP A 82 -11.729 10.240 -1.868 1.00 0.00 O ATOM 1254 OD2 ASP A 82 -12.538 8.269 -1.329 1.00 0.00 O ATOM 0 H ASP A 82 -8.218 7.695 0.154 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.734 7.580 -2.298 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.521 8.038 0.156 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.946 9.671 -0.114 1.00 0.00 H new ATOM 1259 N LYS A 83 -9.381 9.963 -3.286 1.00 0.00 N ATOM 1260 CA LYS A 83 -8.896 11.079 -4.090 1.00 0.00 C ATOM 1261 C LYS A 83 -8.490 12.255 -3.204 1.00 0.00 C ATOM 1262 O LYS A 83 -7.698 13.104 -3.611 1.00 0.00 O ATOM 1263 CB LYS A 83 -9.968 11.515 -5.092 1.00 0.00 C ATOM 1264 CG LYS A 83 -9.548 11.344 -6.544 1.00 0.00 C ATOM 1265 CD LYS A 83 -10.259 10.170 -7.201 1.00 0.00 C ATOM 1266 CE LYS A 83 -10.875 10.566 -8.533 1.00 0.00 C ATOM 1267 NZ LYS A 83 -11.978 11.553 -8.364 1.00 0.00 N ATOM 0 H LYS A 83 -10.329 9.661 -3.512 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.014 10.746 -4.638 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.876 10.938 -4.914 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.215 12.562 -4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.768 12.258 -7.096 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.470 11.192 -6.595 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.552 9.355 -7.354 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.037 9.796 -6.536 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.105 10.989 -9.178 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.257 9.677 -9.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.649 11.462 -9.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.472 11.372 -7.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.584 12.515 -8.354 1.00 0.00 H new ATOM 1281 N GLN A 84 -9.028 12.293 -1.985 1.00 0.00 N ATOM 1282 CA GLN A 84 -8.710 13.357 -1.039 1.00 0.00 C ATOM 1283 C GLN A 84 -7.457 13.006 -0.241 1.00 0.00 C ATOM 1284 O GLN A 84 -7.331 13.358 0.932 1.00 0.00 O ATOM 1285 CB GLN A 84 -9.888 13.594 -0.092 1.00 0.00 C ATOM 1286 CG GLN A 84 -11.005 14.424 -0.705 1.00 0.00 C ATOM 1287 CD GLN A 84 -11.453 13.896 -2.054 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -11.596 12.687 -2.244 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -11.676 14.800 -3.000 1.00 0.00 N ATOM 0 H GLN A 84 -9.686 11.598 -1.631 1.00 0.00 H new ATOM 0 HA GLN A 84 -8.520 14.272 -1.600 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -10.292 12.631 0.220 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -9.526 14.094 0.806 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -11.856 14.439 -0.024 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -10.667 15.454 -0.816 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.545 15.791 -2.799 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.978 14.503 -3.928 1.00 0.00 H new ATOM 1298 N TYR A 85 -6.536 12.306 -0.893 1.00 0.00 N ATOM 1299 CA TYR A 85 -5.288 11.892 -0.277 1.00 0.00 C ATOM 1300 C TYR A 85 -4.151 12.069 -1.278 1.00 0.00 C ATOM 1301 O TYR A 85 -3.727 11.114 -1.928 1.00 0.00 O ATOM 1302 CB TYR A 85 -5.393 10.431 0.161 1.00 0.00 C ATOM 1303 CG TYR A 85 -4.312 9.978 1.119 1.00 0.00 C ATOM 1304 CD1 TYR A 85 -2.967 10.072 0.783 1.00 0.00 C ATOM 1305 CD2 TYR A 85 -4.642 9.435 2.355 1.00 0.00 C ATOM 1306 CE1 TYR A 85 -1.984 9.642 1.650 1.00 0.00 C ATOM 1307 CE2 TYR A 85 -3.663 9.000 3.228 1.00 0.00 C ATOM 1308 CZ TYR A 85 -2.335 9.107 2.869 1.00 0.00 C ATOM 1309 OH TYR A 85 -1.353 8.672 3.729 1.00 0.00 O ATOM 0 H TYR A 85 -6.637 12.011 -1.864 1.00 0.00 H new ATOM 0 HA TYR A 85 -5.086 12.505 0.601 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -6.364 10.276 0.631 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -5.363 9.797 -0.725 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.686 10.489 -0.173 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.681 9.352 2.638 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.943 9.725 1.374 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -3.935 8.579 4.185 1.00 0.00 H new ATOM 0 HH TYR A 85 -0.669 9.367 3.823 1.00 0.00 H new ATOM 1319 N PRO A 86 -3.659 13.309 -1.428 1.00 0.00 N ATOM 1320 CA PRO A 86 -2.583 13.633 -2.367 1.00 0.00 C ATOM 1321 C PRO A 86 -1.477 12.581 -2.406 1.00 0.00 C ATOM 1322 O PRO A 86 -1.354 11.755 -1.501 1.00 0.00 O ATOM 1323 CB PRO A 86 -2.052 14.951 -1.818 1.00 0.00 C ATOM 1324 CG PRO A 86 -3.247 15.613 -1.221 1.00 0.00 C ATOM 1325 CD PRO A 86 -4.131 14.507 -0.704 1.00 0.00 C ATOM 0 HA PRO A 86 -2.939 13.680 -3.396 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -1.275 14.786 -1.072 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -1.612 15.561 -2.607 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.956 16.287 -0.415 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -3.771 16.213 -1.965 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.032 14.387 0.375 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -5.183 14.708 -0.907 1.00 0.00 H new ATOM 1333 N VAL A 87 -0.683 12.620 -3.470 1.00 0.00 N ATOM 1334 CA VAL A 87 0.419 11.679 -3.652 1.00 0.00 C ATOM 1335 C VAL A 87 1.636 12.068 -2.818 1.00 0.00 C ATOM 1336 O VAL A 87 2.451 11.216 -2.469 1.00 0.00 O ATOM 1337 CB VAL A 87 0.844 11.590 -5.130 1.00 0.00 C ATOM 1338 CG1 VAL A 87 1.747 10.387 -5.354 1.00 0.00 C ATOM 1339 CG2 VAL A 87 -0.375 11.530 -6.039 1.00 0.00 C ATOM 0 H VAL A 87 -0.782 13.298 -4.225 1.00 0.00 H new ATOM 0 HA VAL A 87 0.051 10.708 -3.320 1.00 0.00 H new ATOM 0 HB VAL A 87 1.406 12.490 -5.380 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.037 10.340 -6.404 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.639 10.481 -4.735 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.213 9.476 -5.084 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.051 11.468 -7.078 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.971 10.652 -5.791 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.977 12.428 -5.900 1.00 0.00 H new ATOM 1349 N ARG A 88 1.769 13.358 -2.519 1.00 0.00 N ATOM 1350 CA ARG A 88 2.909 13.847 -1.742 1.00 0.00 C ATOM 1351 C ARG A 88 3.036 13.100 -0.416 1.00 0.00 C ATOM 1352 O ARG A 88 4.100 12.570 -0.099 1.00 0.00 O ATOM 1353 CB ARG A 88 2.805 15.355 -1.499 1.00 0.00 C ATOM 1354 CG ARG A 88 2.282 16.127 -2.700 1.00 0.00 C ATOM 1355 CD ARG A 88 3.253 17.210 -3.146 1.00 0.00 C ATOM 1356 NE ARG A 88 3.634 18.094 -2.045 1.00 0.00 N ATOM 1357 CZ ARG A 88 4.779 17.999 -1.368 1.00 0.00 C ATOM 1358 NH1 ARG A 88 5.661 17.049 -1.660 1.00 0.00 N ATOM 1359 NH2 ARG A 88 5.041 18.857 -0.392 1.00 0.00 N ATOM 0 H ARG A 88 1.107 14.081 -2.800 1.00 0.00 H new ATOM 0 HA ARG A 88 3.809 13.656 -2.327 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.148 15.534 -0.648 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.788 15.740 -1.229 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.104 15.437 -3.525 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.323 16.580 -2.450 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.146 16.746 -3.564 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.798 17.799 -3.942 1.00 0.00 H new ATOM 0 HE ARG A 88 2.982 18.831 -1.778 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.465 16.384 -2.408 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.534 16.985 -1.136 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.368 19.587 -0.161 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.916 18.787 0.128 1.00 0.00 H new ATOM 1373 N PRO A 89 1.953 13.030 0.377 1.00 0.00 N ATOM 1374 CA PRO A 89 1.974 12.322 1.656 1.00 0.00 C ATOM 1375 C PRO A 89 2.076 10.822 1.444 1.00 0.00 C ATOM 1376 O PRO A 89 2.766 10.124 2.187 1.00 0.00 O ATOM 1377 CB PRO A 89 0.637 12.694 2.317 1.00 0.00 C ATOM 1378 CG PRO A 89 0.065 13.792 1.479 1.00 0.00 C ATOM 1379 CD PRO A 89 0.633 13.604 0.101 1.00 0.00 C ATOM 0 HA PRO A 89 2.832 12.597 2.270 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.035 11.837 2.351 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.786 13.023 3.345 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.024 13.742 1.462 1.00 0.00 H new ATOM 0 HG3 PRO A 89 0.333 14.769 1.881 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.019 12.937 -0.503 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.706 14.547 -0.440 1.00 0.00 H new ATOM 1387 N ALA A 90 1.419 10.334 0.397 1.00 0.00 N ATOM 1388 CA ALA A 90 1.481 8.924 0.067 1.00 0.00 C ATOM 1389 C ALA A 90 2.896 8.590 -0.356 1.00 0.00 C ATOM 1390 O ALA A 90 3.372 7.475 -0.158 1.00 0.00 O ATOM 1391 CB ALA A 90 0.486 8.576 -1.029 1.00 0.00 C ATOM 0 H ALA A 90 0.842 10.894 -0.231 1.00 0.00 H new ATOM 0 HA ALA A 90 1.212 8.331 0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.553 7.512 -1.257 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.524 8.812 -0.692 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.714 9.154 -1.924 1.00 0.00 H new ATOM 1397 N TYR A 91 3.583 9.593 -0.903 1.00 0.00 N ATOM 1398 CA TYR A 91 4.963 9.426 -1.305 1.00 0.00 C ATOM 1399 C TYR A 91 5.809 9.313 -0.048 1.00 0.00 C ATOM 1400 O TYR A 91 6.748 8.518 0.020 1.00 0.00 O ATOM 1401 CB TYR A 91 5.424 10.603 -2.172 1.00 0.00 C ATOM 1402 CG TYR A 91 6.922 10.656 -2.396 1.00 0.00 C ATOM 1403 CD1 TYR A 91 7.677 9.492 -2.475 1.00 0.00 C ATOM 1404 CD2 TYR A 91 7.579 11.873 -2.526 1.00 0.00 C ATOM 1405 CE1 TYR A 91 9.043 9.539 -2.678 1.00 0.00 C ATOM 1406 CE2 TYR A 91 8.944 11.929 -2.729 1.00 0.00 C ATOM 1407 CZ TYR A 91 9.672 10.759 -2.804 1.00 0.00 C ATOM 1408 OH TYR A 91 11.031 10.812 -3.006 1.00 0.00 O ATOM 0 H TYR A 91 3.201 10.523 -1.074 1.00 0.00 H new ATOM 0 HA TYR A 91 5.070 8.524 -1.907 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.924 10.546 -3.139 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.104 11.533 -1.703 1.00 0.00 H new ATOM 0 HD1 TYR A 91 7.188 8.534 -2.376 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.013 12.791 -2.467 1.00 0.00 H new ATOM 0 HE1 TYR A 91 9.615 8.625 -2.738 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.439 12.884 -2.829 1.00 0.00 H new ATOM 0 HH TYR A 91 11.315 11.747 -3.075 1.00 0.00 H new ATOM 1418 N THR A 92 5.436 10.093 0.970 1.00 0.00 N ATOM 1419 CA THR A 92 6.132 10.055 2.243 1.00 0.00 C ATOM 1420 C THR A 92 5.941 8.683 2.869 1.00 0.00 C ATOM 1421 O THR A 92 6.890 8.071 3.360 1.00 0.00 O ATOM 1422 CB THR A 92 5.592 11.133 3.180 1.00 0.00 C ATOM 1423 OG1 THR A 92 5.462 12.369 2.501 1.00 0.00 O ATOM 1424 CG2 THR A 92 6.465 11.362 4.393 1.00 0.00 C ATOM 0 H THR A 92 4.659 10.753 0.931 1.00 0.00 H new ATOM 0 HA THR A 92 7.193 10.244 2.079 1.00 0.00 H new ATOM 0 HB THR A 92 4.622 10.765 3.516 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.113 13.046 3.118 1.00 0.00 H new ATOM 0 HG21 THR A 92 6.024 12.140 5.017 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.542 10.438 4.966 1.00 0.00 H new ATOM 0 HG23 THR A 92 7.459 11.674 4.072 1.00 0.00 H new ATOM 1432 N LEU A 93 4.703 8.196 2.823 1.00 0.00 N ATOM 1433 CA LEU A 93 4.388 6.884 3.362 1.00 0.00 C ATOM 1434 C LEU A 93 5.049 5.816 2.513 1.00 0.00 C ATOM 1435 O LEU A 93 5.565 4.823 3.027 1.00 0.00 O ATOM 1436 CB LEU A 93 2.876 6.655 3.418 1.00 0.00 C ATOM 1437 CG LEU A 93 2.430 5.558 4.389 1.00 0.00 C ATOM 1438 CD1 LEU A 93 0.927 5.609 4.604 1.00 0.00 C ATOM 1439 CD2 LEU A 93 2.855 4.186 3.879 1.00 0.00 C ATOM 0 H LEU A 93 3.908 8.691 2.419 1.00 0.00 H new ATOM 0 HA LEU A 93 4.770 6.828 4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.391 7.590 3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.523 6.402 2.418 1.00 0.00 H new ATOM 0 HG LEU A 93 2.916 5.732 5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.632 4.821 5.297 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.651 6.579 5.018 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.418 5.464 3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.529 3.420 4.582 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.400 4.003 2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.940 4.153 3.784 1.00 0.00 H new ATOM 1451 N LEU A 94 5.059 6.048 1.208 1.00 0.00 N ATOM 1452 CA LEU A 94 5.692 5.131 0.280 1.00 0.00 C ATOM 1453 C LEU A 94 7.201 5.144 0.505 1.00 0.00 C ATOM 1454 O LEU A 94 7.917 4.225 0.097 1.00 0.00 O ATOM 1455 CB LEU A 94 5.364 5.524 -1.162 1.00 0.00 C ATOM 1456 CG LEU A 94 3.932 5.215 -1.605 1.00 0.00 C ATOM 1457 CD1 LEU A 94 3.437 6.263 -2.594 1.00 0.00 C ATOM 1458 CD2 LEU A 94 3.849 3.821 -2.211 1.00 0.00 C ATOM 0 H LEU A 94 4.634 6.866 0.771 1.00 0.00 H new ATOM 0 HA LEU A 94 5.313 4.124 0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.543 6.593 -1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.054 5.008 -1.830 1.00 0.00 H new ATOM 0 HG LEU A 94 3.287 5.245 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.417 6.025 -2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.456 7.246 -2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.084 6.269 -3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.823 3.619 -2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.508 3.761 -3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.157 3.083 -1.470 1.00 0.00 H new ATOM 1470 N ASN A 95 7.670 6.190 1.184 1.00 0.00 N ATOM 1471 CA ASN A 95 9.086 6.336 1.488 1.00 0.00 C ATOM 1472 C ASN A 95 9.482 5.427 2.641 1.00 0.00 C ATOM 1473 O ASN A 95 10.274 4.501 2.475 1.00 0.00 O ATOM 1474 CB ASN A 95 9.409 7.792 1.830 1.00 0.00 C ATOM 1475 CG ASN A 95 10.653 8.290 1.120 1.00 0.00 C ATOM 1476 OD1 ASN A 95 10.646 9.354 0.501 1.00 0.00 O ATOM 1477 ND2 ASN A 95 11.733 7.519 1.206 1.00 0.00 N ATOM 0 H ASN A 95 7.085 6.949 1.533 1.00 0.00 H new ATOM 0 HA ASN A 95 9.658 6.047 0.606 1.00 0.00 H new ATOM 0 HB2 ASN A 95 8.562 8.423 1.559 1.00 0.00 H new ATOM 0 HB3 ASN A 95 9.546 7.888 2.907 1.00 0.00 H new ATOM 0 HD21 ASN A 95 12.600 7.802 0.748 1.00 0.00 H new ATOM 0 HD22 ASN A 95 11.695 6.644 1.730 1.00 0.00 H new ATOM 1484 N LYS A 96 8.917 5.699 3.813 1.00 0.00 N ATOM 1485 CA LYS A 96 9.203 4.903 4.997 1.00 0.00 C ATOM 1486 C LYS A 96 8.928 3.430 4.729 1.00 0.00 C ATOM 1487 O LYS A 96 9.744 2.573 5.052 1.00 0.00 O ATOM 1488 CB LYS A 96 8.363 5.388 6.180 1.00 0.00 C ATOM 1489 CG LYS A 96 8.841 6.708 6.764 1.00 0.00 C ATOM 1490 CD LYS A 96 9.605 6.499 8.061 1.00 0.00 C ATOM 1491 CE LYS A 96 11.072 6.192 7.805 1.00 0.00 C ATOM 1492 NZ LYS A 96 11.408 4.776 8.118 1.00 0.00 N ATOM 0 H LYS A 96 8.260 6.464 3.966 1.00 0.00 H new ATOM 0 HA LYS A 96 10.258 5.021 5.244 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.327 5.496 5.859 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.377 4.628 6.961 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.480 7.216 6.042 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.985 7.358 6.945 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.523 7.392 8.680 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.154 5.680 8.621 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.309 6.399 6.761 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.692 6.854 8.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.417 4.609 7.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.206 4.585 9.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.836 4.144 7.523 1.00 0.00 H new ATOM 1506 N ILE A 97 7.775 3.146 4.130 1.00 0.00 N ATOM 1507 CA ILE A 97 7.385 1.784 3.810 1.00 0.00 C ATOM 1508 C ILE A 97 8.458 1.068 3.001 1.00 0.00 C ATOM 1509 O ILE A 97 8.902 -0.017 3.364 1.00 0.00 O ATOM 1510 CB ILE A 97 6.059 1.784 3.036 1.00 0.00 C ATOM 1511 CG1 ILE A 97 5.469 0.388 2.956 1.00 0.00 C ATOM 1512 CG2 ILE A 97 6.223 2.359 1.645 1.00 0.00 C ATOM 1513 CD1 ILE A 97 4.157 0.368 2.216 1.00 0.00 C ATOM 0 H ILE A 97 7.091 3.851 3.856 1.00 0.00 H new ATOM 0 HA ILE A 97 7.259 1.245 4.749 1.00 0.00 H new ATOM 0 HB ILE A 97 5.370 2.422 3.588 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.176 -0.276 2.458 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.322 -0.001 3.964 1.00 0.00 H new ATOM 0 HG21 ILE A 97 5.263 2.342 1.129 1.00 0.00 H new ATOM 0 HG22 ILE A 97 6.579 3.387 1.716 1.00 0.00 H new ATOM 0 HG23 ILE A 97 6.945 1.763 1.088 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.773 -0.652 2.184 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.440 1.010 2.728 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.307 0.731 1.199 1.00 0.00 H new ATOM 1525 N LEU A 98 8.871 1.677 1.900 1.00 0.00 N ATOM 1526 CA LEU A 98 9.894 1.082 1.055 1.00 0.00 C ATOM 1527 C LEU A 98 11.153 0.781 1.865 1.00 0.00 C ATOM 1528 O LEU A 98 11.581 -0.368 1.959 1.00 0.00 O ATOM 1529 CB LEU A 98 10.226 2.010 -0.116 1.00 0.00 C ATOM 1530 CG LEU A 98 9.694 1.545 -1.473 1.00 0.00 C ATOM 1531 CD1 LEU A 98 10.218 0.155 -1.803 1.00 0.00 C ATOM 1532 CD2 LEU A 98 8.171 1.560 -1.484 1.00 0.00 C ATOM 0 H LEU A 98 8.517 2.576 1.573 1.00 0.00 H new ATOM 0 HA LEU A 98 9.507 0.144 0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.822 3.000 0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.309 2.115 -0.183 1.00 0.00 H new ATOM 0 HG LEU A 98 10.049 2.236 -2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 98 9.830 -0.160 -2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 98 11.307 0.176 -1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.893 -0.548 -1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.811 1.226 -2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.795 0.892 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.816 2.573 -1.293 1.00 0.00 H new ATOM 1544 N ASP A 99 11.723 1.818 2.472 1.00 0.00 N ATOM 1545 CA ASP A 99 12.921 1.673 3.293 1.00 0.00 C ATOM 1546 C ASP A 99 12.647 0.748 4.468 1.00 0.00 C ATOM 1547 O ASP A 99 13.550 0.109 5.007 1.00 0.00 O ATOM 1548 CB ASP A 99 13.387 3.041 3.800 1.00 0.00 C ATOM 1549 CG ASP A 99 14.424 3.672 2.892 1.00 0.00 C ATOM 1550 OD1 ASP A 99 14.039 4.194 1.825 1.00 0.00 O ATOM 1551 OD2 ASP A 99 15.620 3.644 3.248 1.00 0.00 O ATOM 0 H ASP A 99 11.372 2.774 2.410 1.00 0.00 H new ATOM 0 HA ASP A 99 13.710 1.238 2.680 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.528 3.707 3.883 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.803 2.932 4.801 1.00 0.00 H new ATOM 1556 N GLU A 100 11.383 0.695 4.852 1.00 0.00 N ATOM 1557 CA GLU A 100 10.940 -0.136 5.961 1.00 0.00 C ATOM 1558 C GLU A 100 11.052 -1.609 5.598 1.00 0.00 C ATOM 1559 O GLU A 100 11.770 -2.363 6.255 1.00 0.00 O ATOM 1560 CB GLU A 100 9.509 0.229 6.339 1.00 0.00 C ATOM 1561 CG GLU A 100 8.902 -0.681 7.394 1.00 0.00 C ATOM 1562 CD GLU A 100 9.674 -0.659 8.700 1.00 0.00 C ATOM 1563 OE1 GLU A 100 10.411 0.321 8.936 1.00 0.00 O ATOM 1564 OE2 GLU A 100 9.540 -1.621 9.485 1.00 0.00 O ATOM 0 H GLU A 100 10.635 1.226 4.405 1.00 0.00 H new ATOM 0 HA GLU A 100 11.582 0.045 6.823 1.00 0.00 H new ATOM 0 HB2 GLU A 100 9.490 1.256 6.704 1.00 0.00 H new ATOM 0 HB3 GLU A 100 8.887 0.197 5.444 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.872 -0.378 7.580 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.870 -1.702 7.013 1.00 0.00 H new ATOM 1571 N TYR A 101 10.374 -2.012 4.529 1.00 0.00 N ATOM 1572 CA TYR A 101 10.448 -3.391 4.073 1.00 0.00 C ATOM 1573 C TYR A 101 11.895 -3.730 3.737 1.00 0.00 C ATOM 1574 O TYR A 101 12.322 -4.878 3.838 1.00 0.00 O ATOM 1575 CB TYR A 101 9.560 -3.616 2.851 1.00 0.00 C ATOM 1576 CG TYR A 101 9.341 -5.080 2.544 1.00 0.00 C ATOM 1577 CD1 TYR A 101 10.229 -5.780 1.737 1.00 0.00 C ATOM 1578 CD2 TYR A 101 8.252 -5.765 3.071 1.00 0.00 C ATOM 1579 CE1 TYR A 101 10.038 -7.120 1.462 1.00 0.00 C ATOM 1580 CE2 TYR A 101 8.055 -7.106 2.798 1.00 0.00 C ATOM 1581 CZ TYR A 101 8.951 -7.778 1.994 1.00 0.00 C ATOM 1582 OH TYR A 101 8.758 -9.113 1.720 1.00 0.00 O ATOM 0 H TYR A 101 9.773 -1.408 3.968 1.00 0.00 H new ATOM 0 HA TYR A 101 10.090 -4.043 4.870 1.00 0.00 H new ATOM 0 HB2 TYR A 101 8.595 -3.136 3.016 1.00 0.00 H new ATOM 0 HB3 TYR A 101 10.013 -3.132 1.985 1.00 0.00 H new ATOM 0 HD1 TYR A 101 11.083 -5.268 1.318 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.550 -5.242 3.703 1.00 0.00 H new ATOM 0 HE1 TYR A 101 10.738 -7.650 0.833 1.00 0.00 H new ATOM 0 HE2 TYR A 101 7.203 -7.625 3.213 1.00 0.00 H new ATOM 0 HH TYR A 101 8.102 -9.484 2.346 1.00 0.00 H new ATOM 1592 N LEU A 102 12.638 -2.701 3.337 1.00 0.00 N ATOM 1593 CA LEU A 102 14.042 -2.837 2.980 1.00 0.00 C ATOM 1594 C LEU A 102 14.896 -3.200 4.194 1.00 0.00 C ATOM 1595 O LEU A 102 15.866 -3.948 4.079 1.00 0.00 O ATOM 1596 CB LEU A 102 14.542 -1.522 2.377 1.00 0.00 C ATOM 1597 CG LEU A 102 14.571 -1.472 0.847 1.00 0.00 C ATOM 1598 CD1 LEU A 102 13.575 -0.449 0.317 1.00 0.00 C ATOM 1599 CD2 LEU A 102 15.971 -1.146 0.358 1.00 0.00 C ATOM 0 H LEU A 102 12.280 -1.750 3.252 1.00 0.00 H new ATOM 0 HA LEU A 102 14.131 -3.643 2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.909 -0.712 2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 102 15.548 -1.330 2.749 1.00 0.00 H new ATOM 0 HG LEU A 102 14.285 -2.453 0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 102 13.615 -0.433 -0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 102 12.569 -0.719 0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.827 0.538 0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 102 15.978 -1.114 -0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 102 16.277 -0.177 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.665 -1.913 0.702 1.00 0.00 H new ATOM 1611 N VAL A 103 14.545 -2.648 5.353 1.00 0.00 N ATOM 1612 CA VAL A 103 15.299 -2.902 6.578 1.00 0.00 C ATOM 1613 C VAL A 103 15.100 -4.323 7.090 1.00 0.00 C ATOM 1614 O VAL A 103 16.066 -5.000 7.444 1.00 0.00 O ATOM 1615 CB VAL A 103 14.915 -1.911 7.695 1.00 0.00 C ATOM 1616 CG1 VAL A 103 15.239 -2.496 9.064 1.00 0.00 C ATOM 1617 CG2 VAL A 103 15.624 -0.581 7.494 1.00 0.00 C ATOM 0 H VAL A 103 13.746 -2.024 5.470 1.00 0.00 H new ATOM 0 HA VAL A 103 16.349 -2.766 6.318 1.00 0.00 H new ATOM 0 HB VAL A 103 13.840 -1.735 7.647 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.961 -1.782 9.840 1.00 0.00 H new ATOM 0 HG12 VAL A 103 14.681 -3.421 9.206 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.307 -2.703 9.128 1.00 0.00 H new ATOM 0 HG21 VAL A 103 15.341 0.106 8.291 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.703 -0.737 7.515 1.00 0.00 H new ATOM 0 HG23 VAL A 103 15.337 -0.158 6.531 1.00 0.00 H new ATOM 1627 N ALA A 104 13.848 -4.769 7.140 1.00 0.00 N ATOM 1628 CA ALA A 104 13.528 -6.111 7.622 1.00 0.00 C ATOM 1629 C ALA A 104 14.481 -7.157 7.043 1.00 0.00 C ATOM 1630 O ALA A 104 14.643 -8.242 7.603 1.00 0.00 O ATOM 1631 CB ALA A 104 12.089 -6.462 7.280 1.00 0.00 C ATOM 0 H ALA A 104 13.037 -4.221 6.853 1.00 0.00 H new ATOM 0 HA ALA A 104 13.649 -6.115 8.705 1.00 0.00 H new ATOM 0 HB1 ALA A 104 11.863 -7.464 7.644 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.418 -5.744 7.751 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.954 -6.430 6.199 1.00 0.00 H new ATOM 1637 N HIS A 105 15.106 -6.821 5.920 1.00 0.00 N ATOM 1638 CA HIS A 105 16.038 -7.718 5.259 1.00 0.00 C ATOM 1639 C HIS A 105 16.788 -6.984 4.149 1.00 0.00 C ATOM 1640 O HIS A 105 16.175 -6.278 3.348 1.00 0.00 O ATOM 1641 CB HIS A 105 15.303 -8.935 4.682 1.00 0.00 C ATOM 1642 CG HIS A 105 13.885 -8.663 4.264 1.00 0.00 C ATOM 1643 ND1 HIS A 105 13.014 -9.661 3.878 1.00 0.00 N ATOM 1644 CD2 HIS A 105 13.184 -7.504 4.174 1.00 0.00 C ATOM 1645 CE1 HIS A 105 11.845 -9.130 3.568 1.00 0.00 C ATOM 1646 NE2 HIS A 105 11.922 -7.824 3.741 1.00 0.00 N ATOM 0 H HIS A 105 14.980 -5.926 5.448 1.00 0.00 H new ATOM 0 HA HIS A 105 16.758 -8.067 6.000 1.00 0.00 H new ATOM 0 HB2 HIS A 105 15.858 -9.305 3.820 1.00 0.00 H new ATOM 0 HB3 HIS A 105 15.303 -9.731 5.427 1.00 0.00 H new ATOM 0 HD2 HIS A 105 13.551 -6.514 4.401 1.00 0.00 H new ATOM 0 HE1 HIS A 105 10.974 -9.672 3.230 1.00 0.00 H new ATOM 0 HE2 HIS A 105 11.165 -7.160 3.579 1.00 0.00 H new ATOM 1655 N PRO A 106 18.128 -7.134 4.093 1.00 0.00 N ATOM 1656 CA PRO A 106 18.974 -6.488 3.091 1.00 0.00 C ATOM 1657 C PRO A 106 18.274 -6.271 1.750 1.00 0.00 C ATOM 1658 O PRO A 106 17.384 -7.030 1.367 1.00 0.00 O ATOM 1659 CB PRO A 106 20.124 -7.478 2.949 1.00 0.00 C ATOM 1660 CG PRO A 106 20.254 -8.125 4.294 1.00 0.00 C ATOM 1661 CD PRO A 106 18.935 -7.945 5.017 1.00 0.00 C ATOM 0 HA PRO A 106 19.272 -5.484 3.393 1.00 0.00 H new ATOM 0 HB2 PRO A 106 19.914 -8.217 2.175 1.00 0.00 H new ATOM 0 HB3 PRO A 106 21.047 -6.972 2.665 1.00 0.00 H new ATOM 0 HG2 PRO A 106 20.492 -9.184 4.189 1.00 0.00 H new ATOM 0 HG3 PRO A 106 21.067 -7.671 4.861 1.00 0.00 H new ATOM 0 HD2 PRO A 106 18.460 -8.904 5.225 1.00 0.00 H new ATOM 0 HD3 PRO A 106 19.071 -7.442 5.975 1.00 0.00 H new ATOM 1669 N LYS A 107 18.683 -5.217 1.050 1.00 0.00 N ATOM 1670 CA LYS A 107 18.101 -4.865 -0.242 1.00 0.00 C ATOM 1671 C LYS A 107 17.937 -6.080 -1.157 1.00 0.00 C ATOM 1672 O LYS A 107 16.847 -6.344 -1.662 1.00 0.00 O ATOM 1673 CB LYS A 107 18.959 -3.805 -0.937 1.00 0.00 C ATOM 1674 CG LYS A 107 20.444 -4.132 -0.951 1.00 0.00 C ATOM 1675 CD LYS A 107 21.291 -2.870 -0.948 1.00 0.00 C ATOM 1676 CE LYS A 107 22.730 -3.163 -0.555 1.00 0.00 C ATOM 1677 NZ LYS A 107 23.560 -1.927 -0.520 1.00 0.00 N ATOM 0 H LYS A 107 19.422 -4.586 1.359 1.00 0.00 H new ATOM 0 HA LYS A 107 17.106 -4.465 -0.047 1.00 0.00 H new ATOM 0 HB2 LYS A 107 18.613 -3.686 -1.964 1.00 0.00 H new ATOM 0 HB3 LYS A 107 18.812 -2.847 -0.438 1.00 0.00 H new ATOM 0 HG2 LYS A 107 20.692 -4.740 -0.081 1.00 0.00 H new ATOM 0 HG3 LYS A 107 20.679 -4.727 -1.834 1.00 0.00 H new ATOM 0 HD2 LYS A 107 21.269 -2.414 -1.938 1.00 0.00 H new ATOM 0 HD3 LYS A 107 20.864 -2.146 -0.254 1.00 0.00 H new ATOM 0 HE2 LYS A 107 22.749 -3.640 0.425 1.00 0.00 H new ATOM 0 HE3 LYS A 107 23.162 -3.871 -1.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 24.534 -2.170 -0.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 23.564 -1.485 -1.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 23.163 -1.262 0.174 1.00 0.00 H new ATOM 1691 N GLU A 108 19.024 -6.804 -1.385 1.00 0.00 N ATOM 1692 CA GLU A 108 18.986 -7.972 -2.258 1.00 0.00 C ATOM 1693 C GLU A 108 18.387 -9.188 -1.556 1.00 0.00 C ATOM 1694 O GLU A 108 17.823 -10.067 -2.207 1.00 0.00 O ATOM 1695 CB GLU A 108 20.392 -8.299 -2.768 1.00 0.00 C ATOM 1696 CG GLU A 108 20.466 -8.471 -4.276 1.00 0.00 C ATOM 1697 CD GLU A 108 21.887 -8.398 -4.801 1.00 0.00 C ATOM 1698 OE1 GLU A 108 22.788 -8.979 -4.159 1.00 0.00 O ATOM 1699 OE2 GLU A 108 22.099 -7.760 -5.853 1.00 0.00 O ATOM 0 H GLU A 108 19.939 -6.606 -0.981 1.00 0.00 H new ATOM 0 HA GLU A 108 18.343 -7.728 -3.103 1.00 0.00 H new ATOM 0 HB2 GLU A 108 21.073 -7.503 -2.467 1.00 0.00 H new ATOM 0 HB3 GLU A 108 20.740 -9.214 -2.289 1.00 0.00 H new ATOM 0 HG2 GLU A 108 20.030 -9.431 -4.550 1.00 0.00 H new ATOM 0 HG3 GLU A 108 19.865 -7.699 -4.756 1.00 0.00 H new ATOM 1706 N GLU A 109 18.515 -9.241 -0.232 1.00 0.00 N ATOM 1707 CA GLU A 109 17.985 -10.363 0.542 1.00 0.00 C ATOM 1708 C GLU A 109 16.574 -10.732 0.087 1.00 0.00 C ATOM 1709 O GLU A 109 16.277 -11.902 -0.155 1.00 0.00 O ATOM 1710 CB GLU A 109 17.978 -10.035 2.036 1.00 0.00 C ATOM 1711 CG GLU A 109 17.326 -11.111 2.889 1.00 0.00 C ATOM 1712 CD GLU A 109 17.835 -11.114 4.317 1.00 0.00 C ATOM 1713 OE1 GLU A 109 19.064 -11.004 4.509 1.00 0.00 O ATOM 1714 OE2 GLU A 109 17.005 -11.228 5.244 1.00 0.00 O ATOM 0 H GLU A 109 18.979 -8.524 0.326 1.00 0.00 H new ATOM 0 HA GLU A 109 18.639 -11.218 0.369 1.00 0.00 H new ATOM 0 HB2 GLU A 109 19.004 -9.888 2.373 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.453 -9.092 2.191 1.00 0.00 H new ATOM 0 HG2 GLU A 109 16.246 -10.961 2.893 1.00 0.00 H new ATOM 0 HG3 GLU A 109 17.511 -12.087 2.440 1.00 0.00 H new ATOM 1721 N TRP A 110 15.711 -9.729 -0.034 1.00 0.00 N ATOM 1722 CA TRP A 110 14.338 -9.965 -0.467 1.00 0.00 C ATOM 1723 C TRP A 110 14.259 -10.068 -1.985 1.00 0.00 C ATOM 1724 O TRP A 110 13.732 -11.039 -2.524 1.00 0.00 O ATOM 1725 CB TRP A 110 13.393 -8.860 0.028 1.00 0.00 C ATOM 1726 CG TRP A 110 14.010 -7.492 0.135 1.00 0.00 C ATOM 1727 CD1 TRP A 110 14.555 -6.927 1.251 1.00 0.00 C ATOM 1728 CD2 TRP A 110 14.125 -6.509 -0.905 1.00 0.00 C ATOM 1729 NE1 TRP A 110 14.994 -5.656 0.972 1.00 0.00 N ATOM 1730 CE2 TRP A 110 14.743 -5.377 -0.345 1.00 0.00 C ATOM 1731 CE3 TRP A 110 13.767 -6.476 -2.254 1.00 0.00 C ATOM 1732 CZ2 TRP A 110 15.006 -4.228 -1.087 1.00 0.00 C ATOM 1733 CZ3 TRP A 110 14.028 -5.336 -2.989 1.00 0.00 C ATOM 1734 CH2 TRP A 110 14.641 -4.226 -2.404 1.00 0.00 C ATOM 0 H TRP A 110 15.935 -8.753 0.160 1.00 0.00 H new ATOM 0 HA TRP A 110 14.019 -10.911 -0.028 1.00 0.00 H new ATOM 0 HB2 TRP A 110 12.539 -8.804 -0.647 1.00 0.00 H new ATOM 0 HB3 TRP A 110 13.007 -9.145 1.007 1.00 0.00 H new ATOM 0 HD1 TRP A 110 14.630 -7.409 2.214 1.00 0.00 H new ATOM 0 HE1 TRP A 110 15.436 -5.022 1.638 1.00 0.00 H new ATOM 0 HE3 TRP A 110 13.293 -7.329 -2.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 15.482 -3.369 -0.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 13.754 -5.303 -4.033 1.00 0.00 H new ATOM 0 HH2 TRP A 110 14.830 -3.348 -3.004 1.00 0.00 H new ATOM 1745 N ALA A 111 14.793 -9.056 -2.661 1.00 0.00 N ATOM 1746 CA ALA A 111 14.799 -8.996 -4.125 1.00 0.00 C ATOM 1747 C ALA A 111 13.549 -9.627 -4.739 1.00 0.00 C ATOM 1748 O ALA A 111 13.628 -10.246 -5.798 1.00 0.00 O ATOM 1749 CB ALA A 111 16.049 -9.668 -4.671 1.00 0.00 C ATOM 0 H ALA A 111 15.234 -8.253 -2.213 1.00 0.00 H new ATOM 0 HA ALA A 111 14.799 -7.943 -4.405 1.00 0.00 H new ATOM 0 HB1 ALA A 111 16.043 -9.618 -5.760 1.00 0.00 H new ATOM 0 HB2 ALA A 111 16.933 -9.157 -4.289 1.00 0.00 H new ATOM 0 HB3 ALA A 111 16.068 -10.711 -4.356 1.00 0.00 H new ATOM 1755 N ASP A 112 12.410 -9.457 -4.055 1.00 0.00 N ATOM 1756 CA ASP A 112 11.103 -9.988 -4.479 1.00 0.00 C ATOM 1757 C ASP A 112 10.530 -10.879 -3.396 1.00 0.00 C ATOM 1758 O ASP A 112 9.378 -10.720 -2.994 1.00 0.00 O ATOM 1759 CB ASP A 112 11.172 -10.764 -5.803 1.00 0.00 C ATOM 1760 CG ASP A 112 11.277 -9.847 -7.008 1.00 0.00 C ATOM 1761 OD1 ASP A 112 10.425 -8.943 -7.140 1.00 0.00 O ATOM 1762 OD2 ASP A 112 12.207 -10.035 -7.821 1.00 0.00 O ATOM 0 H ASP A 112 12.368 -8.939 -3.177 1.00 0.00 H new ATOM 0 HA ASP A 112 10.453 -9.129 -4.644 1.00 0.00 H new ATOM 0 HB2 ASP A 112 12.032 -11.434 -5.784 1.00 0.00 H new ATOM 0 HB3 ASP A 112 10.284 -11.388 -5.902 1.00 0.00 H new ATOM 1767 N VAL A 113 11.345 -11.808 -2.915 1.00 0.00 N ATOM 1768 CA VAL A 113 10.938 -12.722 -1.862 1.00 0.00 C ATOM 1769 C VAL A 113 10.036 -13.829 -2.391 1.00 0.00 C ATOM 1770 O VAL A 113 10.285 -15.011 -2.150 1.00 0.00 O ATOM 1771 CB VAL A 113 10.214 -11.976 -0.728 1.00 0.00 C ATOM 1772 CG1 VAL A 113 10.048 -12.883 0.473 1.00 0.00 C ATOM 1773 CG2 VAL A 113 10.968 -10.710 -0.350 1.00 0.00 C ATOM 0 H VAL A 113 12.301 -11.947 -3.243 1.00 0.00 H new ATOM 0 HA VAL A 113 11.850 -13.173 -1.471 1.00 0.00 H new ATOM 0 HB VAL A 113 9.224 -11.685 -1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 113 9.534 -12.343 1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 113 9.462 -13.757 0.190 1.00 0.00 H new ATOM 0 HG13 VAL A 113 11.029 -13.202 0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 113 10.439 -10.198 0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 113 11.972 -10.971 -0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 113 11.034 -10.053 -1.217 1.00 0.00 H new ATOM 1920 N LYS A 123 5.041 -3.426 10.819 1.00 0.00 N ATOM 1921 CA LYS A 123 4.253 -2.627 11.752 1.00 0.00 C ATOM 1922 C LYS A 123 4.289 -1.151 11.359 1.00 0.00 C ATOM 1923 O LYS A 123 3.383 -0.386 11.687 1.00 0.00 O ATOM 1924 CB LYS A 123 4.779 -2.802 13.178 1.00 0.00 C ATOM 1925 CG LYS A 123 3.681 -2.836 14.231 1.00 0.00 C ATOM 1926 CD LYS A 123 3.425 -4.250 14.728 1.00 0.00 C ATOM 1927 CE LYS A 123 2.583 -5.044 13.741 1.00 0.00 C ATOM 1928 NZ LYS A 123 1.149 -5.083 14.139 1.00 0.00 N ATOM 0 HA LYS A 123 3.220 -2.973 11.712 1.00 0.00 H new ATOM 0 HB2 LYS A 123 5.353 -3.727 13.234 1.00 0.00 H new ATOM 0 HB3 LYS A 123 5.465 -1.986 13.406 1.00 0.00 H new ATOM 0 HG2 LYS A 123 3.962 -2.200 15.071 1.00 0.00 H new ATOM 0 HG3 LYS A 123 2.762 -2.425 13.813 1.00 0.00 H new ATOM 0 HD2 LYS A 123 4.376 -4.758 14.888 1.00 0.00 H new ATOM 0 HD3 LYS A 123 2.918 -4.212 15.692 1.00 0.00 H new ATOM 0 HE2 LYS A 123 2.672 -4.601 12.749 1.00 0.00 H new ATOM 0 HE3 LYS A 123 2.968 -6.061 13.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 0.610 -5.633 13.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 1.060 -5.529 15.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 0.774 -4.114 14.180 1.00 0.00 H new ATOM 1942 N GLN A 124 5.346 -0.766 10.650 1.00 0.00 N ATOM 1943 CA GLN A 124 5.514 0.609 10.202 1.00 0.00 C ATOM 1944 C GLN A 124 4.396 1.021 9.250 1.00 0.00 C ATOM 1945 O GLN A 124 3.509 1.793 9.614 1.00 0.00 O ATOM 1946 CB GLN A 124 6.867 0.771 9.512 1.00 0.00 C ATOM 1947 CG GLN A 124 7.797 1.747 10.213 1.00 0.00 C ATOM 1948 CD GLN A 124 8.151 1.305 11.619 1.00 0.00 C ATOM 1949 OE1 GLN A 124 9.128 0.585 11.829 1.00 0.00 O ATOM 1950 NE2 GLN A 124 7.356 1.734 12.593 1.00 0.00 N ATOM 0 H GLN A 124 6.102 -1.392 10.373 1.00 0.00 H new ATOM 0 HA GLN A 124 5.471 1.257 11.078 1.00 0.00 H new ATOM 0 HB2 GLN A 124 7.354 -0.202 9.453 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.705 1.109 8.488 1.00 0.00 H new ATOM 0 HG2 GLN A 124 8.711 1.856 9.629 1.00 0.00 H new ATOM 0 HG3 GLN A 124 7.325 2.729 10.252 1.00 0.00 H new ATOM 0 HE21 GLN A 124 6.557 2.329 12.374 1.00 0.00 H new ATOM 0 HE22 GLN A 124 7.545 1.468 13.560 1.00 0.00 H new ATOM 1959 N LEU A 125 4.454 0.509 8.025 1.00 0.00 N ATOM 1960 CA LEU A 125 3.458 0.832 7.013 1.00 0.00 C ATOM 1961 C LEU A 125 2.038 0.637 7.542 1.00 0.00 C ATOM 1962 O LEU A 125 1.110 1.315 7.103 1.00 0.00 O ATOM 1963 CB LEU A 125 3.704 0.002 5.744 1.00 0.00 C ATOM 1964 CG LEU A 125 2.625 -1.018 5.365 1.00 0.00 C ATOM 1965 CD1 LEU A 125 2.958 -1.660 4.028 1.00 0.00 C ATOM 1966 CD2 LEU A 125 2.482 -2.081 6.444 1.00 0.00 C ATOM 0 H LEU A 125 5.182 -0.132 7.710 1.00 0.00 H new ATOM 0 HA LEU A 125 3.559 1.887 6.758 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.830 0.690 4.908 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.648 -0.530 5.864 1.00 0.00 H new ATOM 0 HG LEU A 125 1.673 -0.495 5.277 1.00 0.00 H new ATOM 0 HD11 LEU A 125 2.185 -2.383 3.769 1.00 0.00 H new ATOM 0 HD12 LEU A 125 3.008 -0.891 3.257 1.00 0.00 H new ATOM 0 HD13 LEU A 125 3.920 -2.167 4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 125 1.710 -2.794 6.153 1.00 0.00 H new ATOM 0 HD22 LEU A 125 3.431 -2.604 6.568 1.00 0.00 H new ATOM 0 HD23 LEU A 125 2.202 -1.608 7.386 1.00 0.00 H new ATOM 1978 N ASP A 126 1.873 -0.277 8.497 1.00 0.00 N ATOM 1979 CA ASP A 126 0.555 -0.522 9.076 1.00 0.00 C ATOM 1980 C ASP A 126 0.127 0.673 9.918 1.00 0.00 C ATOM 1981 O ASP A 126 -0.907 1.295 9.667 1.00 0.00 O ATOM 1982 CB ASP A 126 0.559 -1.783 9.940 1.00 0.00 C ATOM 1983 CG ASP A 126 0.944 -3.027 9.164 1.00 0.00 C ATOM 1984 OD1 ASP A 126 0.268 -3.335 8.162 1.00 0.00 O ATOM 1985 OD2 ASP A 126 1.917 -3.700 9.565 1.00 0.00 O ATOM 0 H ASP A 126 2.623 -0.852 8.881 1.00 0.00 H new ATOM 0 HA ASP A 126 -0.152 -0.666 8.259 1.00 0.00 H new ATOM 0 HB2 ASP A 126 1.254 -1.648 10.769 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -0.431 -1.923 10.374 1.00 0.00 H new ATOM 1990 N THR A 127 0.942 0.997 10.914 1.00 0.00 N ATOM 1991 CA THR A 127 0.669 2.125 11.793 1.00 0.00 C ATOM 1992 C THR A 127 0.523 3.410 10.986 1.00 0.00 C ATOM 1993 O THR A 127 -0.174 4.338 11.398 1.00 0.00 O ATOM 1994 CB THR A 127 1.787 2.279 12.825 1.00 0.00 C ATOM 1995 OG1 THR A 127 1.947 1.087 13.573 1.00 0.00 O ATOM 1996 CG2 THR A 127 1.544 3.406 13.805 1.00 0.00 C ATOM 0 H THR A 127 1.801 0.492 11.133 1.00 0.00 H new ATOM 0 HA THR A 127 -0.268 1.933 12.315 1.00 0.00 H new ATOM 0 HB THR A 127 2.684 2.506 12.248 1.00 0.00 H new ATOM 0 HG1 THR A 127 2.448 0.433 13.042 1.00 0.00 H new ATOM 0 HG21 THR A 127 2.374 3.461 14.509 1.00 0.00 H new ATOM 0 HG22 THR A 127 1.465 4.349 13.263 1.00 0.00 H new ATOM 0 HG23 THR A 127 0.618 3.222 14.349 1.00 0.00 H new ATOM 2004 N TYR A 128 1.184 3.457 9.831 1.00 0.00 N ATOM 2005 CA TYR A 128 1.125 4.627 8.971 1.00 0.00 C ATOM 2006 C TYR A 128 -0.230 4.719 8.288 1.00 0.00 C ATOM 2007 O TYR A 128 -0.957 5.687 8.476 1.00 0.00 O ATOM 2008 CB TYR A 128 2.247 4.585 7.931 1.00 0.00 C ATOM 2009 CG TYR A 128 3.578 5.064 8.467 1.00 0.00 C ATOM 2010 CD1 TYR A 128 4.058 4.614 9.690 1.00 0.00 C ATOM 2011 CD2 TYR A 128 4.354 5.968 7.752 1.00 0.00 C ATOM 2012 CE1 TYR A 128 5.273 5.050 10.185 1.00 0.00 C ATOM 2013 CE2 TYR A 128 5.568 6.408 8.240 1.00 0.00 C ATOM 2014 CZ TYR A 128 6.024 5.946 9.456 1.00 0.00 C ATOM 2015 OH TYR A 128 7.233 6.382 9.945 1.00 0.00 O ATOM 0 H TYR A 128 1.764 2.698 9.474 1.00 0.00 H new ATOM 0 HA TYR A 128 1.260 5.515 9.589 1.00 0.00 H new ATOM 0 HB2 TYR A 128 2.356 3.564 7.566 1.00 0.00 H new ATOM 0 HB3 TYR A 128 1.964 5.200 7.077 1.00 0.00 H new ATOM 0 HD1 TYR A 128 3.472 3.911 10.264 1.00 0.00 H new ATOM 0 HD2 TYR A 128 4.001 6.333 6.798 1.00 0.00 H new ATOM 0 HE1 TYR A 128 5.632 4.690 11.138 1.00 0.00 H new ATOM 0 HE2 TYR A 128 6.158 7.111 7.671 1.00 0.00 H new ATOM 0 HH TYR A 128 7.633 5.681 10.501 1.00 0.00 H new ATOM 2025 N ILE A 129 -0.572 3.699 7.510 1.00 0.00 N ATOM 2026 CA ILE A 129 -1.846 3.668 6.813 1.00 0.00 C ATOM 2027 C ILE A 129 -3.000 3.989 7.758 1.00 0.00 C ATOM 2028 O ILE A 129 -4.032 4.512 7.337 1.00 0.00 O ATOM 2029 CB ILE A 129 -2.088 2.296 6.161 1.00 0.00 C ATOM 2030 CG1 ILE A 129 -3.429 2.302 5.426 1.00 0.00 C ATOM 2031 CG2 ILE A 129 -2.039 1.187 7.200 1.00 0.00 C ATOM 2032 CD1 ILE A 129 -4.587 1.911 6.299 1.00 0.00 C ATOM 0 H ILE A 129 0.018 2.883 7.348 1.00 0.00 H new ATOM 0 HA ILE A 129 -1.804 4.429 6.034 1.00 0.00 H new ATOM 0 HB ILE A 129 -1.295 2.104 5.438 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -3.609 3.298 5.021 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -3.374 1.618 4.579 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -2.213 0.226 6.715 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -1.060 1.180 7.679 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -2.809 1.359 7.952 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -5.507 1.936 5.715 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -4.429 0.904 6.684 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -4.667 2.609 7.132 1.00 0.00 H new ATOM 2044 N SER A 130 -2.821 3.669 9.033 1.00 0.00 N ATOM 2045 CA SER A 130 -3.852 3.920 10.032 1.00 0.00 C ATOM 2046 C SER A 130 -3.931 5.402 10.397 1.00 0.00 C ATOM 2047 O SER A 130 -5.010 5.993 10.397 1.00 0.00 O ATOM 2048 CB SER A 130 -3.583 3.084 11.283 1.00 0.00 C ATOM 2049 OG SER A 130 -4.306 3.580 12.397 1.00 0.00 O ATOM 0 H SER A 130 -1.973 3.236 9.400 1.00 0.00 H new ATOM 0 HA SER A 130 -4.811 3.631 9.603 1.00 0.00 H new ATOM 0 HB2 SER A 130 -3.862 2.047 11.097 1.00 0.00 H new ATOM 0 HB3 SER A 130 -2.516 3.092 11.506 1.00 0.00 H new ATOM 0 HG SER A 130 -4.117 3.026 13.183 1.00 0.00 H new ATOM 2055 N LYS A 131 -2.786 5.989 10.723 1.00 0.00 N ATOM 2056 CA LYS A 131 -2.728 7.398 11.108 1.00 0.00 C ATOM 2057 C LYS A 131 -2.653 8.331 9.896 1.00 0.00 C ATOM 2058 O LYS A 131 -2.905 9.530 10.014 1.00 0.00 O ATOM 2059 CB LYS A 131 -1.529 7.644 12.025 1.00 0.00 C ATOM 2060 CG LYS A 131 -0.189 7.351 11.369 1.00 0.00 C ATOM 2061 CD LYS A 131 0.260 8.502 10.487 1.00 0.00 C ATOM 2062 CE LYS A 131 1.774 8.583 10.409 1.00 0.00 C ATOM 2063 NZ LYS A 131 2.357 9.268 11.597 1.00 0.00 N ATOM 0 H LYS A 131 -1.884 5.513 10.729 1.00 0.00 H new ATOM 0 HA LYS A 131 -3.653 7.624 11.639 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -1.543 8.683 12.356 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -1.631 7.024 12.916 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.561 7.166 12.138 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -0.265 6.442 10.772 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -0.151 8.376 9.485 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -0.136 9.439 10.879 1.00 0.00 H new ATOM 0 HE2 LYS A 131 2.188 7.578 10.331 1.00 0.00 H new ATOM 0 HE3 LYS A 131 2.063 9.118 9.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 3.392 9.302 11.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 1.982 10.236 11.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 2.104 8.744 12.459 1.00 0.00 H new ATOM 2077 N TYR A 132 -2.287 7.787 8.739 1.00 0.00 N ATOM 2078 CA TYR A 132 -2.162 8.589 7.525 1.00 0.00 C ATOM 2079 C TYR A 132 -3.513 8.864 6.872 1.00 0.00 C ATOM 2080 O TYR A 132 -3.624 9.735 6.010 1.00 0.00 O ATOM 2081 CB TYR A 132 -1.225 7.908 6.527 1.00 0.00 C ATOM 2082 CG TYR A 132 0.107 8.608 6.386 1.00 0.00 C ATOM 2083 CD1 TYR A 132 0.221 9.788 5.660 1.00 0.00 C ATOM 2084 CD2 TYR A 132 1.251 8.093 6.983 1.00 0.00 C ATOM 2085 CE1 TYR A 132 1.436 10.432 5.531 1.00 0.00 C ATOM 2086 CE2 TYR A 132 2.470 8.732 6.859 1.00 0.00 C ATOM 2087 CZ TYR A 132 2.557 9.900 6.133 1.00 0.00 C ATOM 2088 OH TYR A 132 3.769 10.540 6.008 1.00 0.00 O ATOM 0 H TYR A 132 -2.072 6.797 8.616 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.739 9.550 7.819 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -1.055 6.879 6.842 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -1.711 7.867 5.552 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -0.655 10.208 5.189 1.00 0.00 H new ATOM 0 HD2 TYR A 132 1.187 7.178 7.553 1.00 0.00 H new ATOM 0 HE1 TYR A 132 1.508 11.347 4.962 1.00 0.00 H new ATOM 0 HE2 TYR A 132 3.350 8.318 7.329 1.00 0.00 H new ATOM 0 HH TYR A 132 4.456 10.036 6.492 1.00 0.00 H new ATOM 2098 N GLN A 133 -4.537 8.127 7.282 1.00 0.00 N ATOM 2099 CA GLN A 133 -5.874 8.305 6.726 1.00 0.00 C ATOM 2100 C GLN A 133 -6.318 9.766 6.773 1.00 0.00 C ATOM 2101 O GLN A 133 -7.217 10.170 6.035 1.00 0.00 O ATOM 2102 CB GLN A 133 -6.873 7.430 7.479 1.00 0.00 C ATOM 2103 CG GLN A 133 -7.000 7.780 8.951 1.00 0.00 C ATOM 2104 CD GLN A 133 -8.371 8.318 9.310 1.00 0.00 C ATOM 2105 OE1 GLN A 133 -9.022 8.979 8.502 1.00 0.00 O ATOM 2106 NE2 GLN A 133 -8.817 8.035 10.528 1.00 0.00 N ATOM 0 H GLN A 133 -4.469 7.402 7.996 1.00 0.00 H new ATOM 0 HA GLN A 133 -5.841 8.003 5.679 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -7.851 7.521 7.007 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -6.571 6.387 7.387 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -6.795 6.893 9.550 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -6.244 8.522 9.210 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -8.243 7.483 11.166 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -9.733 8.369 10.826 1.00 0.00 H new