USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 888 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 25 MET CE :methyl -159:sc= -4.76! (180deg=-4.66!) USER MOD Set 1.2: A 28 GLN : amide:sc= -5.06! C(o=-22!,f=-19!) USER MOD Set 1.3: A 73 GLN : amide:sc= -2.07 K(o=-22,f=-15) USER MOD Set 1.4: A 83 GLN : amide:sc= -5.79! K(o=-22!,f=-15) USER MOD Set 1.5: A 84 MET CE :methyl -105:sc= -0.067 (180deg=-0.703) USER MOD Set 1.6: A 87 MET CE :methyl -177:sc= -3.85! (180deg=-3.45!) USER MOD Set 2.1: A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 45 HIS : no HD1:sc= -0.636 K(o=-0.64,f=-6.5!) USER MOD Set 3.1: A 29 MET CE :methyl -152:sc= -2.46! (180deg=-3.22!) USER MOD Set 3.2: A 78 GLN : amide:sc= -5.43! K(o=-7.9!,f=-5.7) USER MOD Set 4.1: A 15 GLN : amide:sc= -1.56 K(o=-2.1,f=-11!) USER MOD Set 4.2: A 56 MET CE :methyl -144:sc= -0.585 (180deg=-1.13) USER MOD Set 5.1: A 12 MET CE :methyl 179:sc= -1.7 (180deg=-1.71) USER MOD Set 5.2: A 68 MET CE :methyl -160:sc= -5.37! (180deg=-7.31!) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -3.18! C(o=-3.2!,f=-3.2!) USER MOD Single : A 11 GLN : amide:sc= -3.29! C(o=-3.3!,f=-3!) USER MOD Single : A 13 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.14) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 17 MET CE :methyl -109:sc= -3.97! (180deg=-8.63!) USER MOD Single : A 19 SER OG : rot 89:sc= 0.0642 USER MOD Single : A 20 HIS : no HD1:sc= -1.51 X(o=-1.5,f=-1.8) USER MOD Single : A 24 TYR OH : rot -15:sc= -1.3 USER MOD Single : A 27 GLN : amide:sc= -5.96! C(o=-6!,f=-3.8!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 122:sc= 1.29 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -13.7! C(o=-14!,f=-9.5!) USER MOD Single : A 36 THR OG1 : rot 42:sc= 0.186 USER MOD Single : A 37 MET CE :methyl 159:sc= -0.41 (180deg=-1.05) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -146:sc= -2.82 (180deg=-8.62!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.312 K(o=-0.31,f=-1.9) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -157:sc= -0.303 (180deg=-1.31) USER MOD Single : A 69 MET CE :methyl 137:sc= -0.0833 (180deg=-0.764) USER MOD Single : A 71 MET CE :methyl -144:sc= -0.168 (180deg=-1.22) USER MOD Single : A 72 MET CE :methyl -132:sc= -2.52 (180deg=-4.72!) USER MOD Single : A 74 GLN : amide:sc= -4.21! K(o=-4.2!,f=-1.6) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -157:sc= -0.222 (180deg=-1.05) USER MOD Single : A 88 MET CE :methyl 158:sc= -0.892 (180deg=-2.17!) USER MOD Single : A 93 ASN : amide:sc= -0.68 K(o=-0.68,f=-3.6!) USER MOD Single : A 96 SER OG : rot 69:sc= 0.582 USER MOD Single : A 99 ASN : amide:sc= -3.3! C(o=-3.3!,f=-5.7!) USER MOD Single : A 101 SER OG : rot 47:sc= 0.4 USER MOD Single : A 103 MET CE :methyl -155:sc= -0.114 (180deg=-0.935) USER MOD Single : A 107 MET CE :methyl -147:sc= -6.62 (180deg=-10.6!) USER MOD Single : A 110 SER OG : rot -160:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.028 43.843 -6.734 1.00 0.00 N ATOM 2 CA GLU A 1 0.719 43.217 -7.074 1.00 0.00 C ATOM 3 C GLU A 1 0.144 43.893 -8.316 1.00 0.00 C ATOM 4 O GLU A 1 0.038 45.120 -8.372 1.00 0.00 O ATOM 5 CB GLU A 1 -0.245 43.382 -5.892 1.00 0.00 C ATOM 6 CG GLU A 1 -1.523 42.572 -6.146 1.00 0.00 C ATOM 7 CD GLU A 1 -1.240 41.072 -6.048 1.00 0.00 C ATOM 8 OE1 GLU A 1 -0.364 40.695 -5.284 1.00 0.00 O ATOM 9 OE2 GLU A 1 -1.904 40.318 -6.742 1.00 0.00 O ATOM 0 H1 GLU A 1 2.423 43.385 -5.888 1.00 0.00 H new ATOM 0 H2 GLU A 1 2.686 43.725 -7.530 1.00 0.00 H new ATOM 0 H3 GLU A 1 1.890 44.856 -6.546 1.00 0.00 H new ATOM 0 HA GLU A 1 0.858 42.155 -7.276 1.00 0.00 H new ATOM 0 HB2 GLU A 1 0.233 43.046 -4.972 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -0.492 44.435 -5.757 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -2.287 42.851 -5.420 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -1.919 42.809 -7.133 1.00 0.00 H new ATOM 18 N ALA A 2 -0.227 43.086 -9.308 1.00 0.00 N ATOM 19 CA ALA A 2 -0.791 43.616 -10.547 1.00 0.00 C ATOM 20 C ALA A 2 -2.139 44.281 -10.282 1.00 0.00 C ATOM 21 O ALA A 2 -2.899 43.844 -9.418 1.00 0.00 O ATOM 22 CB ALA A 2 -0.970 42.489 -11.566 1.00 0.00 C ATOM 0 H ALA A 2 -0.148 42.069 -9.279 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.102 44.361 -10.946 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.391 42.894 -12.486 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.003 42.034 -11.779 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.644 41.735 -11.160 1.00 0.00 H new ATOM 28 N GLU A 3 -2.427 45.341 -11.032 1.00 0.00 N ATOM 29 CA GLU A 3 -3.687 46.065 -10.875 1.00 0.00 C ATOM 30 C GLU A 3 -4.876 45.165 -11.203 1.00 0.00 C ATOM 31 O GLU A 3 -5.978 45.365 -10.690 1.00 0.00 O ATOM 32 CB GLU A 3 -3.704 47.302 -11.784 1.00 0.00 C ATOM 33 CG GLU A 3 -3.833 46.885 -13.257 1.00 0.00 C ATOM 34 CD GLU A 3 -2.645 46.020 -13.677 1.00 0.00 C ATOM 35 OE1 GLU A 3 -1.522 46.484 -13.545 1.00 0.00 O ATOM 36 OE2 GLU A 3 -2.873 44.907 -14.121 1.00 0.00 O ATOM 0 H GLU A 3 -1.809 45.717 -11.751 1.00 0.00 H new ATOM 0 HA GLU A 3 -3.769 46.382 -9.835 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.536 47.951 -11.509 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -2.790 47.878 -11.642 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.762 46.333 -13.404 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -3.885 47.772 -13.888 1.00 0.00 H new ATOM 43 N ALA A 4 -4.645 44.174 -12.063 1.00 0.00 N ATOM 44 CA ALA A 4 -5.702 43.247 -12.459 1.00 0.00 C ATOM 45 C ALA A 4 -6.062 42.313 -11.313 1.00 0.00 C ATOM 46 O ALA A 4 -7.002 41.523 -11.413 1.00 0.00 O ATOM 47 CB ALA A 4 -5.261 42.432 -13.677 1.00 0.00 C ATOM 0 H ALA A 4 -3.740 43.993 -12.497 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.585 43.830 -12.719 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.057 41.745 -13.963 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.048 43.105 -14.507 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.364 41.865 -13.430 1.00 0.00 H new ATOM 53 N GLN A 5 -5.313 42.419 -10.226 1.00 0.00 N ATOM 54 CA GLN A 5 -5.553 41.597 -9.050 1.00 0.00 C ATOM 55 C GLN A 5 -7.019 41.679 -8.631 1.00 0.00 C ATOM 56 O GLN A 5 -7.621 40.679 -8.242 1.00 0.00 O ATOM 57 CB GLN A 5 -4.664 42.101 -7.916 1.00 0.00 C ATOM 58 CG GLN A 5 -4.965 41.340 -6.619 1.00 0.00 C ATOM 59 CD GLN A 5 -6.180 41.940 -5.917 1.00 0.00 C ATOM 60 OE1 GLN A 5 -6.276 43.159 -5.769 1.00 0.00 O ATOM 61 NE2 GLN A 5 -7.121 41.151 -5.474 1.00 0.00 N ATOM 0 H GLN A 5 -4.532 43.068 -10.134 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.320 40.557 -9.279 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.615 41.974 -8.184 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.827 43.168 -7.765 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.148 40.289 -6.841 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.099 41.380 -5.958 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.040 40.142 -5.597 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.937 41.544 -5.005 1.00 0.00 H new ATOM 70 N GLU A 6 -7.581 42.883 -8.716 1.00 0.00 N ATOM 71 CA GLU A 6 -8.975 43.101 -8.344 1.00 0.00 C ATOM 72 C GLU A 6 -9.903 42.157 -9.109 1.00 0.00 C ATOM 73 O GLU A 6 -10.855 41.618 -8.541 1.00 0.00 O ATOM 74 CB GLU A 6 -9.362 44.558 -8.627 1.00 0.00 C ATOM 75 CG GLU A 6 -9.315 44.827 -10.137 1.00 0.00 C ATOM 76 CD GLU A 6 -9.477 46.320 -10.406 1.00 0.00 C ATOM 77 OE1 GLU A 6 -10.588 46.808 -10.280 1.00 0.00 O ATOM 78 OE2 GLU A 6 -8.487 46.953 -10.737 1.00 0.00 O ATOM 0 H GLU A 6 -7.094 43.719 -9.038 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.084 42.894 -7.279 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.363 44.759 -8.244 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.681 45.232 -8.107 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.369 44.476 -10.548 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.107 44.271 -10.639 1.00 0.00 H new ATOM 85 N GLU A 7 -9.613 41.951 -10.394 1.00 0.00 N ATOM 86 CA GLU A 7 -10.418 41.060 -11.218 1.00 0.00 C ATOM 87 C GLU A 7 -10.477 39.686 -10.578 1.00 0.00 C ATOM 88 O GLU A 7 -11.515 39.026 -10.582 1.00 0.00 O ATOM 89 CB GLU A 7 -9.810 40.949 -12.623 1.00 0.00 C ATOM 90 CG GLU A 7 -10.761 40.172 -13.550 1.00 0.00 C ATOM 91 CD GLU A 7 -10.643 38.662 -13.321 1.00 0.00 C ATOM 92 OE1 GLU A 7 -9.597 38.220 -12.871 1.00 0.00 O ATOM 93 OE2 GLU A 7 -11.601 37.966 -13.613 1.00 0.00 O ATOM 0 H GLU A 7 -8.831 42.388 -10.881 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.426 41.466 -11.298 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.627 41.944 -13.028 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.846 40.443 -12.572 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.788 40.491 -13.372 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.531 40.404 -14.590 1.00 0.00 H new ATOM 100 N CYS A 8 -9.339 39.262 -10.038 1.00 0.00 N ATOM 101 CA CYS A 8 -9.245 37.960 -9.406 1.00 0.00 C ATOM 102 C CYS A 8 -10.130 37.887 -8.166 1.00 0.00 C ATOM 103 O CYS A 8 -10.854 36.911 -7.970 1.00 0.00 O ATOM 104 CB CYS A 8 -7.793 37.672 -9.018 1.00 0.00 C ATOM 105 SG CYS A 8 -6.719 37.948 -10.451 1.00 0.00 S ATOM 0 H CYS A 8 -8.474 39.802 -10.027 1.00 0.00 H new ATOM 0 HA CYS A 8 -9.589 37.211 -10.120 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.491 38.318 -8.194 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.695 36.644 -8.670 1.00 0.00 H new ATOM 110 N ARG A 9 -10.065 38.924 -7.332 1.00 0.00 N ATOM 111 CA ARG A 9 -10.868 38.961 -6.113 1.00 0.00 C ATOM 112 C ARG A 9 -12.350 38.803 -6.444 1.00 0.00 C ATOM 113 O ARG A 9 -13.038 37.960 -5.868 1.00 0.00 O ATOM 114 CB ARG A 9 -10.637 40.285 -5.378 1.00 0.00 C ATOM 115 CG ARG A 9 -11.342 40.251 -4.018 1.00 0.00 C ATOM 116 CD ARG A 9 -11.135 41.587 -3.300 1.00 0.00 C ATOM 117 NE ARG A 9 -11.685 41.527 -1.949 1.00 0.00 N ATOM 118 CZ ARG A 9 -11.035 40.914 -0.960 1.00 0.00 C ATOM 119 NH1 ARG A 9 -9.880 40.346 -1.184 1.00 0.00 N ATOM 120 NH2 ARG A 9 -11.554 40.881 0.236 1.00 0.00 N ATOM 0 H ARG A 9 -9.471 39.741 -7.476 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.565 38.134 -5.470 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.569 40.454 -5.241 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.017 41.114 -5.975 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -12.407 40.060 -4.153 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -10.947 39.436 -3.412 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.072 41.823 -3.257 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.617 42.388 -3.861 1.00 0.00 H new ATOM 0 HE ARG A 9 -12.587 41.964 -1.758 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.472 40.371 -2.119 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.386 39.878 -0.424 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.456 41.324 0.413 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.058 40.412 0.994 1.00 0.00 H new ATOM 134 N GLU A 10 -12.830 39.614 -7.385 1.00 0.00 N ATOM 135 CA GLU A 10 -14.228 39.549 -7.799 1.00 0.00 C ATOM 136 C GLU A 10 -14.536 38.187 -8.414 1.00 0.00 C ATOM 137 O GLU A 10 -15.559 37.570 -8.115 1.00 0.00 O ATOM 138 CB GLU A 10 -14.517 40.654 -8.820 1.00 0.00 C ATOM 139 CG GLU A 10 -15.976 40.564 -9.287 1.00 0.00 C ATOM 140 CD GLU A 10 -16.072 39.716 -10.555 1.00 0.00 C ATOM 141 OE1 GLU A 10 -15.443 40.078 -11.538 1.00 0.00 O ATOM 142 OE2 GLU A 10 -16.771 38.716 -10.525 1.00 0.00 O ATOM 0 H GLU A 10 -12.275 40.318 -7.871 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.861 39.690 -6.923 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.328 41.631 -8.375 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.846 40.557 -9.674 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.591 40.127 -8.501 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -16.367 41.563 -9.478 1.00 0.00 H new ATOM 149 N GLN A 11 -13.634 37.734 -9.282 1.00 0.00 N ATOM 150 CA GLN A 11 -13.790 36.451 -9.956 1.00 0.00 C ATOM 151 C GLN A 11 -13.906 35.311 -8.946 1.00 0.00 C ATOM 152 O GLN A 11 -14.612 34.330 -9.182 1.00 0.00 O ATOM 153 CB GLN A 11 -12.588 36.207 -10.875 1.00 0.00 C ATOM 154 CG GLN A 11 -12.896 35.064 -11.844 1.00 0.00 C ATOM 155 CD GLN A 11 -11.701 34.816 -12.765 1.00 0.00 C ATOM 156 OE1 GLN A 11 -10.674 35.488 -12.653 1.00 0.00 O ATOM 157 NE2 GLN A 11 -11.777 33.889 -13.678 1.00 0.00 N ATOM 0 H GLN A 11 -12.785 38.240 -9.534 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.707 36.479 -10.545 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -12.355 37.115 -11.432 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -11.708 35.963 -10.280 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -13.129 34.157 -11.286 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -13.777 35.308 -12.437 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -12.627 33.333 -13.771 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -10.986 33.720 -14.300 1.00 0.00 H new ATOM 166 N MET A 12 -13.195 35.445 -7.827 1.00 0.00 N ATOM 167 CA MET A 12 -13.207 34.419 -6.787 1.00 0.00 C ATOM 168 C MET A 12 -14.632 34.019 -6.412 1.00 0.00 C ATOM 169 O MET A 12 -14.908 32.840 -6.183 1.00 0.00 O ATOM 170 CB MET A 12 -12.472 34.927 -5.542 1.00 0.00 C ATOM 171 CG MET A 12 -12.364 33.799 -4.512 1.00 0.00 C ATOM 172 SD MET A 12 -11.420 32.426 -5.219 1.00 0.00 S ATOM 173 CE MET A 12 -10.084 32.408 -4.000 1.00 0.00 C ATOM 0 H MET A 12 -12.606 36.251 -7.618 1.00 0.00 H new ATOM 0 HA MET A 12 -12.699 33.539 -7.182 1.00 0.00 H new ATOM 0 HB2 MET A 12 -11.478 35.281 -5.814 1.00 0.00 H new ATOM 0 HB3 MET A 12 -13.006 35.775 -5.113 1.00 0.00 H new ATOM 0 HG2 MET A 12 -11.876 34.163 -3.608 1.00 0.00 H new ATOM 0 HG3 MET A 12 -13.359 33.460 -4.223 1.00 0.00 H new ATOM 0 HE1 MET A 12 -9.383 31.608 -4.240 1.00 0.00 H new ATOM 0 HE2 MET A 12 -9.562 33.365 -4.018 1.00 0.00 H new ATOM 0 HE3 MET A 12 -10.500 32.240 -3.007 1.00 0.00 H new ATOM 183 N GLN A 13 -15.536 34.996 -6.349 1.00 0.00 N ATOM 184 CA GLN A 13 -16.925 34.706 -5.998 1.00 0.00 C ATOM 185 C GLN A 13 -17.500 33.657 -6.940 1.00 0.00 C ATOM 186 O GLN A 13 -18.127 32.698 -6.499 1.00 0.00 O ATOM 187 CB GLN A 13 -17.769 35.983 -6.071 1.00 0.00 C ATOM 188 CG GLN A 13 -19.192 35.694 -5.577 1.00 0.00 C ATOM 189 CD GLN A 13 -19.190 35.484 -4.066 1.00 0.00 C ATOM 190 OE1 GLN A 13 -19.452 34.378 -3.592 1.00 0.00 O ATOM 191 NE2 GLN A 13 -18.909 36.485 -3.278 1.00 0.00 N ATOM 0 H GLN A 13 -15.336 35.979 -6.533 1.00 0.00 H new ATOM 0 HA GLN A 13 -16.950 34.321 -4.979 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -17.315 36.765 -5.463 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -17.798 36.353 -7.096 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -19.851 36.523 -5.836 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -19.585 34.807 -6.075 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -18.692 37.400 -3.673 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -18.906 36.353 -2.267 1.00 0.00 H new ATOM 200 N ARG A 14 -17.257 33.834 -8.235 1.00 0.00 N ATOM 201 CA ARG A 14 -17.719 32.890 -9.232 1.00 0.00 C ATOM 202 C ARG A 14 -17.118 31.537 -8.932 1.00 0.00 C ATOM 203 O ARG A 14 -17.798 30.510 -8.976 1.00 0.00 O ATOM 204 CB ARG A 14 -17.302 33.351 -10.633 1.00 0.00 C ATOM 205 CG ARG A 14 -17.936 32.443 -11.695 1.00 0.00 C ATOM 206 CD ARG A 14 -19.414 32.807 -11.871 1.00 0.00 C ATOM 207 NE ARG A 14 -19.545 34.164 -12.397 1.00 0.00 N ATOM 208 CZ ARG A 14 -19.335 34.435 -13.684 1.00 0.00 C ATOM 209 NH1 ARG A 14 -19.001 33.481 -14.512 1.00 0.00 N ATOM 210 NH2 ARG A 14 -19.462 35.657 -14.121 1.00 0.00 N ATOM 0 H ARG A 14 -16.740 34.628 -8.614 1.00 0.00 H new ATOM 0 HA ARG A 14 -18.807 32.828 -9.202 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -17.613 34.383 -10.793 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -16.216 33.328 -10.724 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -17.409 32.553 -12.643 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -17.842 31.399 -11.397 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -19.891 32.100 -12.549 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -19.931 32.729 -10.914 1.00 0.00 H new ATOM 0 HE ARG A 14 -19.803 34.921 -11.764 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -18.900 32.524 -14.174 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -18.841 33.693 -15.497 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -19.722 36.404 -13.477 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -19.301 35.865 -15.106 1.00 0.00 H new ATOM 224 N GLN A 15 -15.824 31.552 -8.613 1.00 0.00 N ATOM 225 CA GLN A 15 -15.129 30.334 -8.291 1.00 0.00 C ATOM 226 C GLN A 15 -15.491 29.897 -6.883 1.00 0.00 C ATOM 227 O GLN A 15 -14.712 30.052 -5.941 1.00 0.00 O ATOM 228 CB GLN A 15 -13.616 30.541 -8.419 1.00 0.00 C ATOM 229 CG GLN A 15 -13.145 30.028 -9.782 1.00 0.00 C ATOM 230 CD GLN A 15 -13.613 30.968 -10.888 1.00 0.00 C ATOM 231 OE1 GLN A 15 -12.935 31.946 -11.199 1.00 0.00 O ATOM 232 NE2 GLN A 15 -14.742 30.735 -11.497 1.00 0.00 N ATOM 0 H GLN A 15 -15.250 32.395 -8.574 1.00 0.00 H new ATOM 0 HA GLN A 15 -15.428 29.553 -8.990 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.372 31.598 -8.312 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.097 30.012 -7.620 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.058 29.953 -9.795 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -13.536 29.026 -9.957 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -15.303 29.924 -11.238 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -15.064 31.364 -12.232 1.00 0.00 H new ATOM 241 N GLN A 16 -16.681 29.340 -6.761 1.00 0.00 N ATOM 242 CA GLN A 16 -17.171 28.857 -5.477 1.00 0.00 C ATOM 243 C GLN A 16 -16.625 27.457 -5.218 1.00 0.00 C ATOM 244 O GLN A 16 -17.359 26.540 -4.843 1.00 0.00 O ATOM 245 CB GLN A 16 -18.702 28.858 -5.477 1.00 0.00 C ATOM 246 CG GLN A 16 -19.182 30.292 -5.709 1.00 0.00 C ATOM 247 CD GLN A 16 -20.704 30.376 -5.693 1.00 0.00 C ATOM 248 OE1 GLN A 16 -21.392 29.355 -5.665 1.00 0.00 O ATOM 249 NE2 GLN A 16 -21.271 31.553 -5.717 1.00 0.00 N ATOM 0 H GLN A 16 -17.331 29.209 -7.536 1.00 0.00 H new ATOM 0 HA GLN A 16 -16.828 29.515 -4.678 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -19.082 28.199 -6.258 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -19.082 28.479 -4.528 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -18.772 30.944 -4.938 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -18.806 30.653 -6.666 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -20.696 32.395 -5.740 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -22.288 31.629 -5.713 1.00 0.00 H new ATOM 258 N MET A 17 -15.320 27.310 -5.441 1.00 0.00 N ATOM 259 CA MET A 17 -14.642 26.028 -5.256 1.00 0.00 C ATOM 260 C MET A 17 -14.664 25.587 -3.796 1.00 0.00 C ATOM 261 O MET A 17 -14.610 24.395 -3.504 1.00 0.00 O ATOM 262 CB MET A 17 -13.188 26.134 -5.740 1.00 0.00 C ATOM 263 CG MET A 17 -12.256 26.452 -4.564 1.00 0.00 C ATOM 264 SD MET A 17 -10.775 27.286 -5.178 1.00 0.00 S ATOM 265 CE MET A 17 -11.593 28.803 -5.731 1.00 0.00 C ATOM 0 H MET A 17 -14.709 28.066 -5.751 1.00 0.00 H new ATOM 0 HA MET A 17 -15.175 25.280 -5.843 1.00 0.00 H new ATOM 0 HB2 MET A 17 -12.885 25.198 -6.210 1.00 0.00 H new ATOM 0 HB3 MET A 17 -13.106 26.913 -6.498 1.00 0.00 H new ATOM 0 HG2 MET A 17 -12.769 27.085 -3.840 1.00 0.00 H new ATOM 0 HG3 MET A 17 -11.981 25.534 -4.046 1.00 0.00 H new ATOM 0 HE1 MET A 17 -11.604 28.834 -6.821 1.00 0.00 H new ATOM 0 HE2 MET A 17 -12.617 28.821 -5.357 1.00 0.00 H new ATOM 0 HE3 MET A 17 -11.052 29.668 -5.349 1.00 0.00 H new ATOM 275 N LEU A 18 -14.724 26.556 -2.890 1.00 0.00 N ATOM 276 CA LEU A 18 -14.719 26.265 -1.459 1.00 0.00 C ATOM 277 C LEU A 18 -15.883 25.352 -1.060 1.00 0.00 C ATOM 278 O LEU A 18 -15.837 24.721 -0.007 1.00 0.00 O ATOM 279 CB LEU A 18 -14.781 27.565 -0.645 1.00 0.00 C ATOM 280 CG LEU A 18 -15.579 28.635 -1.402 1.00 0.00 C ATOM 281 CD1 LEU A 18 -16.902 28.043 -1.892 1.00 0.00 C ATOM 282 CD2 LEU A 18 -15.864 29.814 -0.467 1.00 0.00 C ATOM 0 H LEU A 18 -14.777 27.549 -3.119 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.788 25.743 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -15.245 27.373 0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.772 27.927 -0.449 1.00 0.00 H new ATOM 0 HG LEU A 18 -14.999 28.979 -2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -17.465 28.806 -2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -16.701 27.204 -2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -17.484 27.696 -1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -16.431 30.575 -1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -16.442 29.468 0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -14.922 30.240 -0.121 1.00 0.00 H new ATOM 294 N SER A 19 -16.921 25.278 -1.895 1.00 0.00 N ATOM 295 CA SER A 19 -18.069 24.425 -1.591 1.00 0.00 C ATOM 296 C SER A 19 -17.677 22.954 -1.718 1.00 0.00 C ATOM 297 O SER A 19 -17.712 22.194 -0.743 1.00 0.00 O ATOM 298 CB SER A 19 -19.220 24.736 -2.550 1.00 0.00 C ATOM 299 OG SER A 19 -19.479 26.133 -2.534 1.00 0.00 O ATOM 0 H SER A 19 -16.990 25.791 -2.774 1.00 0.00 H new ATOM 0 HA SER A 19 -18.392 24.621 -0.569 1.00 0.00 H new ATOM 0 HB2 SER A 19 -18.965 24.413 -3.559 1.00 0.00 H new ATOM 0 HB3 SER A 19 -20.113 24.185 -2.255 1.00 0.00 H new ATOM 0 HG SER A 19 -18.918 26.577 -3.204 1.00 0.00 H new ATOM 305 N HIS A 20 -17.270 22.570 -2.926 1.00 0.00 N ATOM 306 CA HIS A 20 -16.838 21.202 -3.178 1.00 0.00 C ATOM 307 C HIS A 20 -15.588 20.948 -2.361 1.00 0.00 C ATOM 308 O HIS A 20 -15.369 19.855 -1.839 1.00 0.00 O ATOM 309 CB HIS A 20 -16.540 20.996 -4.670 1.00 0.00 C ATOM 310 CG HIS A 20 -17.176 22.100 -5.473 1.00 0.00 C ATOM 311 ND1 HIS A 20 -16.424 23.070 -6.116 1.00 0.00 N ATOM 312 CD2 HIS A 20 -18.488 22.421 -5.714 1.00 0.00 C ATOM 313 CE1 HIS A 20 -17.282 23.923 -6.705 1.00 0.00 C ATOM 314 NE2 HIS A 20 -18.552 23.574 -6.490 1.00 0.00 N ATOM 0 H HIS A 20 -17.231 23.184 -3.739 1.00 0.00 H new ATOM 0 HA HIS A 20 -17.627 20.506 -2.895 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -15.463 20.986 -4.837 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -16.922 20.029 -4.997 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -19.341 21.864 -5.356 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -16.980 24.785 -7.281 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -19.390 24.050 -6.823 1.00 0.00 H new ATOM 322 N CYS A 21 -14.784 21.998 -2.244 1.00 0.00 N ATOM 323 CA CYS A 21 -13.559 21.939 -1.475 1.00 0.00 C ATOM 324 C CYS A 21 -13.886 21.640 -0.016 1.00 0.00 C ATOM 325 O CYS A 21 -13.245 20.800 0.612 1.00 0.00 O ATOM 326 CB CYS A 21 -12.822 23.273 -1.604 1.00 0.00 C ATOM 327 SG CYS A 21 -11.845 23.265 -3.133 1.00 0.00 S ATOM 0 H CYS A 21 -14.965 22.904 -2.677 1.00 0.00 H new ATOM 0 HA CYS A 21 -12.917 21.144 -1.854 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -13.535 24.097 -1.618 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -12.172 23.428 -0.743 1.00 0.00 H new ATOM 332 N ARG A 22 -14.916 22.310 0.509 1.00 0.00 N ATOM 333 CA ARG A 22 -15.343 22.074 1.885 1.00 0.00 C ATOM 334 C ARG A 22 -15.678 20.601 2.054 1.00 0.00 C ATOM 335 O ARG A 22 -15.251 19.955 3.018 1.00 0.00 O ATOM 336 CB ARG A 22 -16.569 22.935 2.218 1.00 0.00 C ATOM 337 CG ARG A 22 -17.061 22.627 3.637 1.00 0.00 C ATOM 338 CD ARG A 22 -16.076 23.184 4.668 1.00 0.00 C ATOM 339 NE ARG A 22 -16.509 22.828 6.016 1.00 0.00 N ATOM 340 CZ ARG A 22 -16.272 21.621 6.525 1.00 0.00 C ATOM 341 NH1 ARG A 22 -15.626 20.727 5.827 1.00 0.00 N ATOM 342 NH2 ARG A 22 -16.686 21.332 7.729 1.00 0.00 N ATOM 0 H ARG A 22 -15.462 23.011 0.007 1.00 0.00 H new ATOM 0 HA ARG A 22 -14.537 22.347 2.566 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -16.314 23.992 2.135 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -17.365 22.741 1.499 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.047 23.065 3.791 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -17.166 21.550 3.768 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.078 22.787 4.481 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.011 24.268 4.572 1.00 0.00 H new ATOM 0 HE ARG A 22 -17.004 23.519 6.580 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.300 20.952 4.887 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.447 19.804 6.222 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.189 22.030 8.277 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.506 20.408 8.122 1.00 0.00 H new ATOM 356 N MET A 23 -16.425 20.067 1.086 1.00 0.00 N ATOM 357 CA MET A 23 -16.783 18.656 1.119 1.00 0.00 C ATOM 358 C MET A 23 -15.509 17.826 1.193 1.00 0.00 C ATOM 359 O MET A 23 -15.427 16.859 1.947 1.00 0.00 O ATOM 360 CB MET A 23 -17.583 18.281 -0.134 1.00 0.00 C ATOM 361 CG MET A 23 -18.095 16.843 -0.008 1.00 0.00 C ATOM 362 SD MET A 23 -18.940 16.369 -1.536 1.00 0.00 S ATOM 363 CE MET A 23 -19.448 14.712 -1.013 1.00 0.00 C ATOM 0 H MET A 23 -16.787 20.583 0.284 1.00 0.00 H new ATOM 0 HA MET A 23 -17.403 18.458 1.993 1.00 0.00 H new ATOM 0 HB2 MET A 23 -18.421 18.966 -0.261 1.00 0.00 H new ATOM 0 HB3 MET A 23 -16.956 18.378 -1.020 1.00 0.00 H new ATOM 0 HG2 MET A 23 -17.264 16.165 0.186 1.00 0.00 H new ATOM 0 HG3 MET A 23 -18.777 16.761 0.838 1.00 0.00 H new ATOM 0 HE1 MET A 23 -19.997 14.228 -1.821 1.00 0.00 H new ATOM 0 HE2 MET A 23 -18.565 14.121 -0.769 1.00 0.00 H new ATOM 0 HE3 MET A 23 -20.088 14.788 -0.134 1.00 0.00 H new ATOM 373 N TYR A 24 -14.508 18.237 0.411 1.00 0.00 N ATOM 374 CA TYR A 24 -13.219 17.556 0.394 1.00 0.00 C ATOM 375 C TYR A 24 -12.593 17.563 1.790 1.00 0.00 C ATOM 376 O TYR A 24 -12.046 16.557 2.230 1.00 0.00 O ATOM 377 CB TYR A 24 -12.289 18.232 -0.630 1.00 0.00 C ATOM 378 CG TYR A 24 -10.863 18.292 -0.117 1.00 0.00 C ATOM 379 CD1 TYR A 24 -10.177 17.112 0.205 1.00 0.00 C ATOM 380 CD2 TYR A 24 -10.226 19.531 0.027 1.00 0.00 C ATOM 381 CE1 TYR A 24 -8.859 17.174 0.672 1.00 0.00 C ATOM 382 CE2 TYR A 24 -8.906 19.591 0.492 1.00 0.00 C ATOM 383 CZ TYR A 24 -8.224 18.414 0.814 1.00 0.00 C ATOM 384 OH TYR A 24 -6.921 18.475 1.267 1.00 0.00 O ATOM 0 H TYR A 24 -14.569 19.038 -0.217 1.00 0.00 H new ATOM 0 HA TYR A 24 -13.366 16.517 0.099 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -12.317 17.682 -1.570 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -12.646 19.240 -0.840 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -10.666 16.155 0.093 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.753 20.441 -0.221 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.332 16.265 0.923 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -8.415 20.547 0.602 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.672 17.615 1.665 1.00 0.00 H new ATOM 394 N MET A 25 -12.677 18.702 2.476 1.00 0.00 N ATOM 395 CA MET A 25 -12.114 18.821 3.822 1.00 0.00 C ATOM 396 C MET A 25 -12.731 17.777 4.752 1.00 0.00 C ATOM 397 O MET A 25 -12.035 16.913 5.306 1.00 0.00 O ATOM 398 CB MET A 25 -12.410 20.213 4.385 1.00 0.00 C ATOM 399 CG MET A 25 -11.792 21.290 3.487 1.00 0.00 C ATOM 400 SD MET A 25 -9.988 21.240 3.619 1.00 0.00 S ATOM 401 CE MET A 25 -9.864 21.920 5.292 1.00 0.00 C ATOM 0 H MET A 25 -13.125 19.549 2.127 1.00 0.00 H new ATOM 0 HA MET A 25 -11.037 18.662 3.760 1.00 0.00 H new ATOM 0 HB2 MET A 25 -13.487 20.363 4.456 1.00 0.00 H new ATOM 0 HB3 MET A 25 -12.009 20.297 5.395 1.00 0.00 H new ATOM 0 HG2 MET A 25 -12.094 21.130 2.452 1.00 0.00 H new ATOM 0 HG3 MET A 25 -12.160 22.274 3.778 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.864 22.325 5.447 1.00 0.00 H new ATOM 0 HE2 MET A 25 -10.600 22.714 5.418 1.00 0.00 H new ATOM 0 HE3 MET A 25 -10.053 21.131 6.020 1.00 0.00 H new ATOM 411 N ARG A 26 -14.049 17.858 4.913 1.00 0.00 N ATOM 412 CA ARG A 26 -14.753 16.915 5.771 1.00 0.00 C ATOM 413 C ARG A 26 -14.490 15.497 5.281 1.00 0.00 C ATOM 414 O ARG A 26 -14.212 14.585 6.070 1.00 0.00 O ATOM 415 CB ARG A 26 -16.254 17.219 5.749 1.00 0.00 C ATOM 416 CG ARG A 26 -16.970 16.393 6.821 1.00 0.00 C ATOM 417 CD ARG A 26 -18.468 16.697 6.785 1.00 0.00 C ATOM 418 NE ARG A 26 -18.700 18.110 7.074 1.00 0.00 N ATOM 419 CZ ARG A 26 -19.891 18.672 6.881 1.00 0.00 C ATOM 420 NH1 ARG A 26 -20.888 17.961 6.429 1.00 0.00 N ATOM 421 NH2 ARG A 26 -20.063 19.938 7.147 1.00 0.00 N ATOM 0 H ARG A 26 -14.643 18.557 4.467 1.00 0.00 H new ATOM 0 HA ARG A 26 -14.394 17.009 6.796 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -16.421 18.282 5.925 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -16.666 16.990 4.766 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -16.800 15.330 6.650 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -16.565 16.626 7.806 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -18.874 16.447 5.805 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -18.990 16.078 7.514 1.00 0.00 H new ATOM 0 HE ARG A 26 -17.932 18.679 7.432 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -20.756 16.971 6.222 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -21.799 18.395 6.282 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -19.286 20.495 7.502 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -20.975 20.371 7.000 1.00 0.00 H new ATOM 435 N GLN A 27 -14.539 15.336 3.964 1.00 0.00 N ATOM 436 CA GLN A 27 -14.272 14.052 3.350 1.00 0.00 C ATOM 437 C GLN A 27 -12.880 13.586 3.736 1.00 0.00 C ATOM 438 O GLN A 27 -12.648 12.415 3.997 1.00 0.00 O ATOM 439 CB GLN A 27 -14.393 14.163 1.823 1.00 0.00 C ATOM 440 CG GLN A 27 -13.979 12.844 1.159 1.00 0.00 C ATOM 441 CD GLN A 27 -14.731 11.676 1.786 1.00 0.00 C ATOM 442 OE1 GLN A 27 -15.630 11.106 1.167 1.00 0.00 O ATOM 443 NE2 GLN A 27 -14.417 11.296 2.992 1.00 0.00 N ATOM 0 H GLN A 27 -14.762 16.082 3.305 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.002 13.324 3.703 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -15.419 14.409 1.550 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.763 14.975 1.459 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.186 12.887 0.090 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.905 12.695 1.270 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.671 11.773 3.499 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.917 10.522 3.429 1.00 0.00 H new ATOM 452 N GLN A 28 -11.948 14.511 3.790 1.00 0.00 N ATOM 453 CA GLN A 28 -10.601 14.151 4.151 1.00 0.00 C ATOM 454 C GLN A 28 -10.597 13.509 5.526 1.00 0.00 C ATOM 455 O GLN A 28 -9.890 12.527 5.761 1.00 0.00 O ATOM 456 CB GLN A 28 -9.744 15.395 4.173 1.00 0.00 C ATOM 457 CG GLN A 28 -8.275 15.029 4.421 1.00 0.00 C ATOM 458 CD GLN A 28 -8.010 14.856 5.916 1.00 0.00 C ATOM 459 OE1 GLN A 28 -8.643 15.512 6.744 1.00 0.00 O ATOM 460 NE2 GLN A 28 -7.103 14.005 6.311 1.00 0.00 N ATOM 0 H GLN A 28 -12.096 15.501 3.592 1.00 0.00 H new ATOM 0 HA GLN A 28 -10.204 13.444 3.423 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.838 15.926 3.226 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -10.094 16.071 4.953 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.030 14.107 3.893 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.627 15.808 4.019 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.579 13.462 5.624 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.918 13.883 7.307 1.00 0.00 H new ATOM 469 N MET A 29 -11.397 14.066 6.433 1.00 0.00 N ATOM 470 CA MET A 29 -11.469 13.520 7.782 1.00 0.00 C ATOM 471 C MET A 29 -11.976 12.079 7.741 1.00 0.00 C ATOM 472 O MET A 29 -11.333 11.175 8.272 1.00 0.00 O ATOM 473 CB MET A 29 -12.400 14.361 8.660 1.00 0.00 C ATOM 474 CG MET A 29 -11.858 15.789 8.777 1.00 0.00 C ATOM 475 SD MET A 29 -12.696 16.649 10.136 1.00 0.00 S ATOM 476 CE MET A 29 -14.402 16.333 9.617 1.00 0.00 C ATOM 0 H MET A 29 -11.991 14.877 6.262 1.00 0.00 H new ATOM 0 HA MET A 29 -10.466 13.541 8.209 1.00 0.00 H new ATOM 0 HB2 MET A 29 -13.402 14.377 8.231 1.00 0.00 H new ATOM 0 HB3 MET A 29 -12.484 13.912 9.650 1.00 0.00 H new ATOM 0 HG2 MET A 29 -10.783 15.767 8.955 1.00 0.00 H new ATOM 0 HG3 MET A 29 -12.015 16.326 7.842 1.00 0.00 H new ATOM 0 HE1 MET A 29 -15.047 17.134 9.978 1.00 0.00 H new ATOM 0 HE2 MET A 29 -14.450 16.292 8.529 1.00 0.00 H new ATOM 0 HE3 MET A 29 -14.738 15.382 10.031 1.00 0.00 H new ATOM 486 N GLU A 30 -13.127 11.867 7.098 1.00 0.00 N ATOM 487 CA GLU A 30 -13.686 10.514 6.990 1.00 0.00 C ATOM 488 C GLU A 30 -12.801 9.617 6.123 1.00 0.00 C ATOM 489 O GLU A 30 -12.618 8.434 6.414 1.00 0.00 O ATOM 490 CB GLU A 30 -15.096 10.561 6.392 1.00 0.00 C ATOM 491 CG GLU A 30 -16.060 11.222 7.382 1.00 0.00 C ATOM 492 CD GLU A 30 -16.127 12.725 7.128 1.00 0.00 C ATOM 493 OE1 GLU A 30 -16.449 13.103 6.012 1.00 0.00 O ATOM 494 OE2 GLU A 30 -15.866 13.476 8.054 1.00 0.00 O ATOM 0 H GLU A 30 -13.682 12.597 6.652 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.731 10.097 7.996 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.085 11.118 5.455 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -15.436 9.552 6.159 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -17.053 10.784 7.281 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.730 11.033 8.404 1.00 0.00 H new ATOM 501 N GLU A 31 -12.274 10.196 5.048 1.00 0.00 N ATOM 502 CA GLU A 31 -11.422 9.470 4.106 1.00 0.00 C ATOM 503 C GLU A 31 -10.110 9.026 4.762 1.00 0.00 C ATOM 504 O GLU A 31 -9.295 8.357 4.131 1.00 0.00 O ATOM 505 CB GLU A 31 -11.130 10.352 2.886 1.00 0.00 C ATOM 506 CG GLU A 31 -10.612 9.493 1.728 1.00 0.00 C ATOM 507 CD GLU A 31 -10.248 10.370 0.527 1.00 0.00 C ATOM 508 OE1 GLU A 31 -10.355 11.583 0.638 1.00 0.00 O ATOM 509 OE2 GLU A 31 -9.865 9.814 -0.488 1.00 0.00 O ATOM 0 H GLU A 31 -12.423 11.175 4.805 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.954 8.573 3.789 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.035 10.878 2.583 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.392 11.111 3.145 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.738 8.927 2.050 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.372 8.767 1.438 1.00 0.00 H new ATOM 516 N SER A 32 -9.910 9.414 6.022 1.00 0.00 N ATOM 517 CA SER A 32 -8.693 9.063 6.760 1.00 0.00 C ATOM 518 C SER A 32 -8.271 7.621 6.486 1.00 0.00 C ATOM 519 O SER A 32 -7.102 7.268 6.642 1.00 0.00 O ATOM 520 CB SER A 32 -8.929 9.243 8.258 1.00 0.00 C ATOM 521 OG SER A 32 -9.918 8.316 8.693 1.00 0.00 O ATOM 0 H SER A 32 -10.576 9.973 6.555 1.00 0.00 H new ATOM 0 HA SER A 32 -7.894 9.725 6.424 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.000 9.085 8.806 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.253 10.263 8.467 1.00 0.00 H new ATOM 0 HG SER A 32 -10.071 8.428 9.655 1.00 0.00 H new ATOM 527 N THR A 33 -9.229 6.794 6.085 1.00 0.00 N ATOM 528 CA THR A 33 -8.950 5.398 5.777 1.00 0.00 C ATOM 529 C THR A 33 -8.237 5.246 4.421 1.00 0.00 C ATOM 530 O THR A 33 -7.116 4.742 4.348 1.00 0.00 O ATOM 531 CB THR A 33 -10.258 4.600 5.761 1.00 0.00 C ATOM 532 OG1 THR A 33 -11.169 5.202 4.850 1.00 0.00 O ATOM 533 CG2 THR A 33 -10.870 4.586 7.163 1.00 0.00 C ATOM 0 H THR A 33 -10.205 7.066 5.966 1.00 0.00 H new ATOM 0 HA THR A 33 -8.287 5.012 6.551 1.00 0.00 H new ATOM 0 HB THR A 33 -10.053 3.576 5.448 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.435 4.546 4.172 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.800 4.018 7.148 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.172 4.122 7.860 1.00 0.00 H new ATOM 0 HG23 THR A 33 -11.074 5.608 7.481 1.00 0.00 H new ATOM 541 N TYR A 34 -8.934 5.643 3.349 1.00 0.00 N ATOM 542 CA TYR A 34 -8.420 5.512 1.975 1.00 0.00 C ATOM 543 C TYR A 34 -7.824 6.806 1.398 1.00 0.00 C ATOM 544 O TYR A 34 -7.499 6.842 0.210 1.00 0.00 O ATOM 545 CB TYR A 34 -9.550 5.034 1.059 1.00 0.00 C ATOM 546 CG TYR A 34 -10.100 3.724 1.573 1.00 0.00 C ATOM 547 CD1 TYR A 34 -9.401 2.532 1.342 1.00 0.00 C ATOM 548 CD2 TYR A 34 -11.307 3.701 2.283 1.00 0.00 C ATOM 549 CE1 TYR A 34 -9.909 1.319 1.821 1.00 0.00 C ATOM 550 CE2 TYR A 34 -11.815 2.487 2.761 1.00 0.00 C ATOM 551 CZ TYR A 34 -11.116 1.297 2.529 1.00 0.00 C ATOM 552 OH TYR A 34 -11.617 0.100 3.002 1.00 0.00 O ATOM 0 H TYR A 34 -9.863 6.061 3.406 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.604 4.790 2.023 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.342 5.782 1.021 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.179 4.910 0.042 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.470 2.549 0.794 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.846 4.620 2.462 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.370 0.400 1.644 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.746 2.469 3.308 1.00 0.00 H new ATOM 0 HH TYR A 34 -12.462 0.262 3.472 1.00 0.00 H new ATOM 562 N GLN A 35 -7.724 7.868 2.200 1.00 0.00 N ATOM 563 CA GLN A 35 -7.208 9.161 1.708 1.00 0.00 C ATOM 564 C GLN A 35 -6.133 9.001 0.641 1.00 0.00 C ATOM 565 O GLN A 35 -6.028 9.842 -0.252 1.00 0.00 O ATOM 566 CB GLN A 35 -6.628 10.012 2.842 1.00 0.00 C ATOM 567 CG GLN A 35 -5.276 9.447 3.307 1.00 0.00 C ATOM 568 CD GLN A 35 -5.467 8.081 3.951 1.00 0.00 C ATOM 569 OE1 GLN A 35 -4.529 7.288 4.025 1.00 0.00 O ATOM 570 NE2 GLN A 35 -6.634 7.761 4.420 1.00 0.00 N ATOM 0 H GLN A 35 -7.989 7.866 3.185 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.072 9.661 1.270 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -6.501 11.040 2.504 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.326 10.036 3.679 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.597 9.365 2.458 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.814 10.131 4.019 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.408 8.422 4.356 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -6.777 6.848 4.853 1.00 0.00 H new ATOM 579 N THR A 36 -5.331 7.943 0.726 1.00 0.00 N ATOM 580 CA THR A 36 -4.288 7.755 -0.269 1.00 0.00 C ATOM 581 C THR A 36 -4.930 7.679 -1.647 1.00 0.00 C ATOM 582 O THR A 36 -5.562 6.683 -2.000 1.00 0.00 O ATOM 583 CB THR A 36 -3.508 6.468 0.018 1.00 0.00 C ATOM 584 OG1 THR A 36 -4.418 5.428 0.352 1.00 0.00 O ATOM 585 CG2 THR A 36 -2.542 6.698 1.183 1.00 0.00 C ATOM 0 H THR A 36 -5.381 7.226 1.450 1.00 0.00 H new ATOM 0 HA THR A 36 -3.593 8.594 -0.232 1.00 0.00 H new ATOM 0 HB THR A 36 -2.940 6.184 -0.868 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.192 5.465 -0.248 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.989 5.780 1.384 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.843 7.493 0.924 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.105 6.984 2.071 1.00 0.00 H new ATOM 593 N MET A 37 -4.771 8.755 -2.410 1.00 0.00 N ATOM 594 CA MET A 37 -5.346 8.836 -3.750 1.00 0.00 C ATOM 595 C MET A 37 -4.782 7.746 -4.661 1.00 0.00 C ATOM 596 O MET A 37 -3.593 7.752 -4.984 1.00 0.00 O ATOM 597 CB MET A 37 -5.057 10.212 -4.358 1.00 0.00 C ATOM 598 CG MET A 37 -5.512 11.313 -3.392 1.00 0.00 C ATOM 599 SD MET A 37 -6.604 12.467 -4.262 1.00 0.00 S ATOM 600 CE MET A 37 -5.353 13.714 -4.662 1.00 0.00 C ATOM 0 H MET A 37 -4.249 9.584 -2.125 1.00 0.00 H new ATOM 0 HA MET A 37 -6.423 8.689 -3.665 1.00 0.00 H new ATOM 0 HB2 MET A 37 -3.991 10.313 -4.563 1.00 0.00 H new ATOM 0 HB3 MET A 37 -5.576 10.315 -5.311 1.00 0.00 H new ATOM 0 HG2 MET A 37 -6.033 10.873 -2.542 1.00 0.00 H new ATOM 0 HG3 MET A 37 -4.647 11.844 -2.995 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.700 14.323 -5.497 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.184 14.351 -3.794 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.421 13.220 -4.936 1.00 0.00 H new ATOM 610 N PRO A 38 -5.611 6.825 -5.089 1.00 0.00 N ATOM 611 CA PRO A 38 -5.198 5.720 -5.993 1.00 0.00 C ATOM 612 C PRO A 38 -5.308 6.123 -7.462 1.00 0.00 C ATOM 613 O PRO A 38 -6.190 6.900 -7.832 1.00 0.00 O ATOM 614 CB PRO A 38 -6.196 4.618 -5.653 1.00 0.00 C ATOM 615 CG PRO A 38 -7.452 5.336 -5.272 1.00 0.00 C ATOM 616 CD PRO A 38 -7.044 6.724 -4.759 1.00 0.00 C ATOM 0 HA PRO A 38 -4.157 5.425 -5.858 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.361 3.959 -6.505 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.833 3.996 -4.835 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.120 5.424 -6.129 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.992 4.785 -4.502 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.621 7.513 -5.243 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.213 6.818 -3.686 1.00 0.00 H new ATOM 624 N ARG A 39 -4.419 5.589 -8.295 1.00 0.00 N ATOM 625 CA ARG A 39 -4.447 5.906 -9.721 1.00 0.00 C ATOM 626 C ARG A 39 -5.764 5.446 -10.317 1.00 0.00 C ATOM 627 O ARG A 39 -6.339 6.115 -11.177 1.00 0.00 O ATOM 628 CB ARG A 39 -3.328 5.180 -10.456 1.00 0.00 C ATOM 629 CG ARG A 39 -1.982 5.478 -9.790 1.00 0.00 C ATOM 630 CD ARG A 39 -0.854 4.844 -10.607 1.00 0.00 C ATOM 631 NE ARG A 39 0.414 4.948 -9.889 1.00 0.00 N ATOM 632 CZ ARG A 39 0.723 4.109 -8.901 1.00 0.00 C ATOM 633 NH1 ARG A 39 -0.113 3.168 -8.551 1.00 0.00 N ATOM 634 NH2 ARG A 39 1.865 4.227 -8.281 1.00 0.00 N ATOM 0 H ARG A 39 -3.680 4.944 -8.014 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.324 6.984 -9.830 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.515 4.106 -10.451 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.304 5.494 -11.499 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.831 6.555 -9.717 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.973 5.086 -8.773 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.083 3.797 -10.804 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.774 5.340 -11.574 1.00 0.00 H new ATOM 0 HE ARG A 39 1.077 5.678 -10.149 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.006 3.073 -9.035 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.127 2.528 -7.794 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.519 4.961 -8.553 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.103 3.586 -7.524 1.00 0.00 H new ATOM 648 N ARG A 40 -6.226 4.284 -9.859 1.00 0.00 N ATOM 649 CA ARG A 40 -7.467 3.727 -10.360 1.00 0.00 C ATOM 650 C ARG A 40 -8.631 4.614 -9.971 1.00 0.00 C ATOM 651 O ARG A 40 -9.124 4.571 -8.843 1.00 0.00 O ATOM 652 CB ARG A 40 -7.676 2.317 -9.806 1.00 0.00 C ATOM 653 CG ARG A 40 -6.655 1.366 -10.434 1.00 0.00 C ATOM 654 CD ARG A 40 -7.076 1.021 -11.867 1.00 0.00 C ATOM 655 NE ARG A 40 -8.350 0.307 -11.866 1.00 0.00 N ATOM 656 CZ ARG A 40 -8.425 -0.985 -11.553 1.00 0.00 C ATOM 657 NH1 ARG A 40 -7.345 -1.649 -11.236 1.00 0.00 N ATOM 658 NH2 ARG A 40 -9.580 -1.590 -11.562 1.00 0.00 N ATOM 0 H ARG A 40 -5.760 3.719 -9.149 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.411 3.673 -11.447 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.566 2.321 -8.722 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.688 1.976 -10.023 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.668 1.829 -10.437 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.579 0.456 -9.839 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.164 1.934 -12.457 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.309 0.408 -12.341 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.203 0.810 -12.111 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.441 -1.178 -11.228 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.407 -2.639 -10.997 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.424 -1.074 -11.809 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.639 -2.580 -11.322 1.00 0.00 H new ATOM 672 N GLY A 41 -9.057 5.410 -10.932 1.00 0.00 N ATOM 673 CA GLY A 41 -10.175 6.327 -10.728 1.00 0.00 C ATOM 674 C GLY A 41 -9.899 7.287 -9.574 1.00 0.00 C ATOM 675 O GLY A 41 -10.294 7.032 -8.435 1.00 0.00 O ATOM 0 H GLY A 41 -8.649 5.445 -11.866 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -10.355 6.894 -11.641 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.082 5.759 -10.522 1.00 0.00 H new ATOM 679 N MET A 42 -9.216 8.390 -9.876 1.00 0.00 N ATOM 680 CA MET A 42 -8.887 9.387 -8.859 1.00 0.00 C ATOM 681 C MET A 42 -10.149 9.863 -8.139 1.00 0.00 C ATOM 682 O MET A 42 -11.266 9.625 -8.600 1.00 0.00 O ATOM 683 CB MET A 42 -8.185 10.584 -9.510 1.00 0.00 C ATOM 684 CG MET A 42 -6.839 10.137 -10.084 1.00 0.00 C ATOM 685 SD MET A 42 -5.966 11.572 -10.761 1.00 0.00 S ATOM 686 CE MET A 42 -4.544 10.678 -11.434 1.00 0.00 C ATOM 0 H MET A 42 -8.881 8.615 -10.813 1.00 0.00 H new ATOM 0 HA MET A 42 -8.221 8.926 -8.129 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.810 10.999 -10.301 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.034 11.374 -8.775 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.238 9.666 -9.306 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.993 9.391 -10.863 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.862 11.384 -11.908 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.026 10.158 -10.628 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.886 9.953 -12.172 1.00 0.00 H new ATOM 696 N GLU A 43 -9.962 10.528 -7.000 1.00 0.00 N ATOM 697 CA GLU A 43 -11.092 11.024 -6.219 1.00 0.00 C ATOM 698 C GLU A 43 -11.797 12.166 -6.954 1.00 0.00 C ATOM 699 O GLU A 43 -11.177 13.179 -7.283 1.00 0.00 O ATOM 700 CB GLU A 43 -10.599 11.513 -4.853 1.00 0.00 C ATOM 701 CG GLU A 43 -11.798 11.847 -3.958 1.00 0.00 C ATOM 702 CD GLU A 43 -11.389 11.825 -2.486 1.00 0.00 C ATOM 703 OE1 GLU A 43 -10.249 12.155 -2.197 1.00 0.00 O ATOM 704 OE2 GLU A 43 -12.224 11.479 -1.665 1.00 0.00 O ATOM 0 H GLU A 43 -9.046 10.734 -6.601 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.804 10.210 -6.080 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.984 10.746 -4.382 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.970 12.394 -4.977 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.191 12.830 -4.218 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.599 11.128 -4.130 1.00 0.00 H new ATOM 711 N PRO A 44 -13.074 12.014 -7.223 1.00 0.00 N ATOM 712 CA PRO A 44 -13.877 13.049 -7.944 1.00 0.00 C ATOM 713 C PRO A 44 -14.067 14.324 -7.123 1.00 0.00 C ATOM 714 O PRO A 44 -14.233 15.408 -7.682 1.00 0.00 O ATOM 715 CB PRO A 44 -15.221 12.361 -8.203 1.00 0.00 C ATOM 716 CG PRO A 44 -15.320 11.279 -7.180 1.00 0.00 C ATOM 717 CD PRO A 44 -13.891 10.842 -6.866 1.00 0.00 C ATOM 0 HA PRO A 44 -13.379 13.378 -8.856 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -16.047 13.066 -8.109 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -15.264 11.952 -9.212 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.821 11.640 -6.282 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.907 10.442 -7.557 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.776 10.580 -5.814 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.605 9.964 -7.446 1.00 0.00 H new ATOM 725 N HIS A 45 -14.052 14.187 -5.798 1.00 0.00 N ATOM 726 CA HIS A 45 -14.231 15.338 -4.918 1.00 0.00 C ATOM 727 C HIS A 45 -13.257 16.452 -5.289 1.00 0.00 C ATOM 728 O HIS A 45 -13.636 17.622 -5.363 1.00 0.00 O ATOM 729 CB HIS A 45 -14.000 14.927 -3.461 1.00 0.00 C ATOM 730 CG HIS A 45 -14.970 13.843 -3.084 1.00 0.00 C ATOM 731 ND1 HIS A 45 -14.638 12.500 -3.149 1.00 0.00 N ATOM 732 CD2 HIS A 45 -16.268 13.888 -2.640 1.00 0.00 C ATOM 733 CE1 HIS A 45 -15.713 11.796 -2.754 1.00 0.00 C ATOM 734 NE2 HIS A 45 -16.735 12.593 -2.433 1.00 0.00 N ATOM 0 H HIS A 45 -13.919 13.299 -5.315 1.00 0.00 H new ATOM 0 HA HIS A 45 -15.251 15.703 -5.036 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -12.977 14.575 -3.330 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -14.128 15.788 -2.805 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -16.839 14.790 -2.476 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -15.746 10.718 -2.703 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -17.660 12.313 -2.106 1.00 0.00 H new ATOM 742 N MET A 46 -12.002 16.077 -5.525 1.00 0.00 N ATOM 743 CA MET A 46 -10.977 17.047 -5.894 1.00 0.00 C ATOM 744 C MET A 46 -11.288 17.657 -7.257 1.00 0.00 C ATOM 745 O MET A 46 -11.073 18.849 -7.483 1.00 0.00 O ATOM 746 CB MET A 46 -9.607 16.361 -5.949 1.00 0.00 C ATOM 747 CG MET A 46 -9.356 15.594 -4.648 1.00 0.00 C ATOM 748 SD MET A 46 -9.896 16.589 -3.235 1.00 0.00 S ATOM 749 CE MET A 46 -10.615 15.239 -2.269 1.00 0.00 C ATOM 0 H MET A 46 -11.673 15.113 -5.467 1.00 0.00 H new ATOM 0 HA MET A 46 -10.963 17.837 -5.144 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.566 15.678 -6.798 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.824 17.104 -6.100 1.00 0.00 H new ATOM 0 HG2 MET A 46 -9.895 14.646 -4.664 1.00 0.00 H new ATOM 0 HG3 MET A 46 -8.296 15.357 -4.554 1.00 0.00 H new ATOM 0 HE1 MET A 46 -11.480 15.607 -1.718 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.926 14.437 -2.939 1.00 0.00 H new ATOM 0 HE3 MET A 46 -9.873 14.858 -1.567 1.00 0.00 H new ATOM 759 N SER A 47 -11.787 16.818 -8.161 1.00 0.00 N ATOM 760 CA SER A 47 -12.123 17.254 -9.513 1.00 0.00 C ATOM 761 C SER A 47 -13.144 18.389 -9.503 1.00 0.00 C ATOM 762 O SER A 47 -13.103 19.269 -10.360 1.00 0.00 O ATOM 763 CB SER A 47 -12.682 16.077 -10.313 1.00 0.00 C ATOM 764 OG SER A 47 -11.789 14.975 -10.214 1.00 0.00 O ATOM 0 H SER A 47 -11.968 15.830 -7.981 1.00 0.00 H new ATOM 0 HA SER A 47 -11.209 17.623 -9.978 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.665 15.798 -9.933 1.00 0.00 H new ATOM 0 HB3 SER A 47 -12.813 16.361 -11.357 1.00 0.00 H new ATOM 0 HG SER A 47 -12.145 14.218 -10.724 1.00 0.00 H new ATOM 770 N GLU A 48 -14.071 18.359 -8.546 1.00 0.00 N ATOM 771 CA GLU A 48 -15.104 19.389 -8.469 1.00 0.00 C ATOM 772 C GLU A 48 -14.487 20.780 -8.332 1.00 0.00 C ATOM 773 O GLU A 48 -14.876 21.711 -9.038 1.00 0.00 O ATOM 774 CB GLU A 48 -16.025 19.119 -7.276 1.00 0.00 C ATOM 775 CG GLU A 48 -16.759 17.788 -7.473 1.00 0.00 C ATOM 776 CD GLU A 48 -17.493 17.779 -8.814 1.00 0.00 C ATOM 777 OE1 GLU A 48 -18.270 18.690 -9.049 1.00 0.00 O ATOM 778 OE2 GLU A 48 -17.267 16.859 -9.583 1.00 0.00 O ATOM 0 H GLU A 48 -14.128 17.642 -7.822 1.00 0.00 H new ATOM 0 HA GLU A 48 -15.681 19.356 -9.393 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -15.442 19.090 -6.355 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -16.746 19.930 -7.172 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -16.047 16.963 -7.435 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -17.469 17.633 -6.661 1.00 0.00 H new ATOM 785 N CYS A 49 -13.519 20.914 -7.431 1.00 0.00 N ATOM 786 CA CYS A 49 -12.850 22.196 -7.231 1.00 0.00 C ATOM 787 C CYS A 49 -11.970 22.539 -8.435 1.00 0.00 C ATOM 788 O CYS A 49 -11.723 23.709 -8.717 1.00 0.00 O ATOM 789 CB CYS A 49 -11.991 22.153 -5.958 1.00 0.00 C ATOM 790 SG CYS A 49 -13.043 22.368 -4.498 1.00 0.00 S ATOM 0 H CYS A 49 -13.182 20.159 -6.833 1.00 0.00 H new ATOM 0 HA CYS A 49 -13.614 22.966 -7.123 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -11.461 21.203 -5.898 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -11.236 22.938 -5.992 1.00 0.00 H new ATOM 795 N CYS A 50 -11.485 21.502 -9.121 1.00 0.00 N ATOM 796 CA CYS A 50 -10.600 21.675 -10.278 1.00 0.00 C ATOM 797 C CYS A 50 -11.155 22.650 -11.320 1.00 0.00 C ATOM 798 O CYS A 50 -10.419 23.495 -11.830 1.00 0.00 O ATOM 799 CB CYS A 50 -10.353 20.322 -10.947 1.00 0.00 C ATOM 800 SG CYS A 50 -9.006 20.481 -12.146 1.00 0.00 S ATOM 0 H CYS A 50 -11.691 20.529 -8.895 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.670 22.098 -9.897 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -10.100 19.573 -10.196 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.260 19.979 -11.445 1.00 0.00 H new ATOM 805 N GLU A 51 -12.435 22.520 -11.657 1.00 0.00 N ATOM 806 CA GLU A 51 -13.037 23.392 -12.668 1.00 0.00 C ATOM 807 C GLU A 51 -12.920 24.867 -12.288 1.00 0.00 C ATOM 808 O GLU A 51 -12.763 25.723 -13.157 1.00 0.00 O ATOM 809 CB GLU A 51 -14.513 23.037 -12.877 1.00 0.00 C ATOM 810 CG GLU A 51 -14.626 21.686 -13.599 1.00 0.00 C ATOM 811 CD GLU A 51 -14.527 20.529 -12.606 1.00 0.00 C ATOM 812 OE1 GLU A 51 -15.055 20.658 -11.514 1.00 0.00 O ATOM 813 OE2 GLU A 51 -13.939 19.521 -12.962 1.00 0.00 O ATOM 0 H GLU A 51 -13.070 21.831 -11.253 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.487 23.232 -13.596 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.025 22.990 -11.916 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.004 23.815 -13.462 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.575 21.632 -14.133 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.835 21.600 -14.344 1.00 0.00 H new ATOM 820 N GLN A 52 -13.011 25.161 -10.995 1.00 0.00 N ATOM 821 CA GLN A 52 -12.928 26.543 -10.529 1.00 0.00 C ATOM 822 C GLN A 52 -11.609 27.202 -10.928 1.00 0.00 C ATOM 823 O GLN A 52 -11.597 28.184 -11.670 1.00 0.00 O ATOM 824 CB GLN A 52 -13.083 26.585 -9.008 1.00 0.00 C ATOM 825 CG GLN A 52 -14.552 26.811 -8.662 1.00 0.00 C ATOM 826 CD GLN A 52 -15.390 25.618 -9.112 1.00 0.00 C ATOM 827 OE1 GLN A 52 -14.980 24.469 -8.943 1.00 0.00 O ATOM 828 NE2 GLN A 52 -16.547 25.823 -9.679 1.00 0.00 N ATOM 0 H GLN A 52 -13.141 24.469 -10.257 1.00 0.00 H new ATOM 0 HA GLN A 52 -13.736 27.101 -11.003 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -12.732 25.651 -8.568 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -12.471 27.384 -8.590 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -14.662 26.957 -7.587 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -14.911 27.720 -9.145 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -16.885 26.775 -9.818 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -17.113 25.031 -9.983 1.00 0.00 H new ATOM 837 N LEU A 53 -10.506 26.659 -10.425 1.00 0.00 N ATOM 838 CA LEU A 53 -9.181 27.205 -10.725 1.00 0.00 C ATOM 839 C LEU A 53 -8.957 27.194 -12.219 1.00 0.00 C ATOM 840 O LEU A 53 -8.624 28.205 -12.837 1.00 0.00 O ATOM 841 CB LEU A 53 -8.085 26.344 -10.084 1.00 0.00 C ATOM 842 CG LEU A 53 -8.526 25.772 -8.724 1.00 0.00 C ATOM 843 CD1 LEU A 53 -9.589 26.659 -8.046 1.00 0.00 C ATOM 844 CD2 LEU A 53 -9.090 24.368 -8.957 1.00 0.00 C ATOM 0 H LEU A 53 -10.499 25.845 -9.810 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.135 28.220 -10.330 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.827 25.525 -10.756 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.184 26.943 -9.951 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.664 25.739 -8.058 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.873 26.220 -7.090 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.180 27.656 -7.881 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.467 26.729 -8.688 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.410 23.942 -8.006 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.943 24.426 -9.633 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.320 23.735 -9.398 1.00 0.00 H new ATOM 856 N GLU A 54 -9.151 26.014 -12.774 1.00 0.00 N ATOM 857 CA GLU A 54 -8.993 25.779 -14.190 1.00 0.00 C ATOM 858 C GLU A 54 -9.835 26.764 -15.002 1.00 0.00 C ATOM 859 O GLU A 54 -9.449 27.163 -16.101 1.00 0.00 O ATOM 860 CB GLU A 54 -9.397 24.335 -14.456 1.00 0.00 C ATOM 861 CG GLU A 54 -9.238 23.999 -15.944 1.00 0.00 C ATOM 862 CD GLU A 54 -9.726 22.577 -16.230 1.00 0.00 C ATOM 863 OE1 GLU A 54 -10.198 21.926 -15.309 1.00 0.00 O ATOM 864 OE2 GLU A 54 -9.619 22.158 -17.371 1.00 0.00 O ATOM 0 H GLU A 54 -9.425 25.185 -12.247 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.959 25.937 -14.497 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.782 23.663 -13.857 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.431 24.178 -14.150 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.803 24.711 -16.546 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.192 24.096 -16.234 1.00 0.00 H new ATOM 871 N GLY A 55 -10.975 27.162 -14.443 1.00 0.00 N ATOM 872 CA GLY A 55 -11.860 28.114 -15.109 1.00 0.00 C ATOM 873 C GLY A 55 -11.475 29.551 -14.762 1.00 0.00 C ATOM 874 O GLY A 55 -11.902 30.496 -15.427 1.00 0.00 O ATOM 0 H GLY A 55 -11.307 26.841 -13.533 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.809 27.970 -16.188 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.892 27.928 -14.811 1.00 0.00 H new ATOM 878 N MET A 56 -10.665 29.706 -13.714 1.00 0.00 N ATOM 879 CA MET A 56 -10.221 31.028 -13.277 1.00 0.00 C ATOM 880 C MET A 56 -8.980 31.468 -14.048 1.00 0.00 C ATOM 881 O MET A 56 -8.170 30.637 -14.463 1.00 0.00 O ATOM 882 CB MET A 56 -9.914 31.009 -11.775 1.00 0.00 C ATOM 883 CG MET A 56 -9.240 32.323 -11.369 1.00 0.00 C ATOM 884 SD MET A 56 -9.010 32.364 -9.574 1.00 0.00 S ATOM 885 CE MET A 56 -10.716 32.781 -9.141 1.00 0.00 C ATOM 0 H MET A 56 -10.304 28.934 -13.154 1.00 0.00 H new ATOM 0 HA MET A 56 -11.023 31.739 -13.475 1.00 0.00 H new ATOM 0 HB2 MET A 56 -10.834 30.871 -11.208 1.00 0.00 H new ATOM 0 HB3 MET A 56 -9.264 30.167 -11.538 1.00 0.00 H new ATOM 0 HG2 MET A 56 -8.277 32.419 -11.871 1.00 0.00 H new ATOM 0 HG3 MET A 56 -9.850 33.169 -11.686 1.00 0.00 H new ATOM 0 HE1 MET A 56 -10.720 33.448 -8.279 1.00 0.00 H new ATOM 0 HE2 MET A 56 -11.195 33.277 -9.985 1.00 0.00 H new ATOM 0 HE3 MET A 56 -11.263 31.870 -8.897 1.00 0.00 H new ATOM 895 N ASP A 57 -8.836 32.782 -14.227 1.00 0.00 N ATOM 896 CA ASP A 57 -7.684 33.329 -14.941 1.00 0.00 C ATOM 897 C ASP A 57 -6.385 32.806 -14.333 1.00 0.00 C ATOM 898 O ASP A 57 -6.282 32.643 -13.117 1.00 0.00 O ATOM 899 CB ASP A 57 -7.704 34.859 -14.869 1.00 0.00 C ATOM 900 CG ASP A 57 -8.961 35.413 -15.541 1.00 0.00 C ATOM 901 OD1 ASP A 57 -9.489 34.749 -16.420 1.00 0.00 O ATOM 902 OD2 ASP A 57 -9.376 36.497 -15.169 1.00 0.00 O ATOM 0 H ASP A 57 -9.498 33.481 -13.890 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.739 33.014 -15.983 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.670 35.180 -13.828 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.817 35.263 -15.356 1.00 0.00 H new ATOM 907 N GLU A 58 -5.400 32.534 -15.184 1.00 0.00 N ATOM 908 CA GLU A 58 -4.117 32.020 -14.712 1.00 0.00 C ATOM 909 C GLU A 58 -3.503 32.929 -13.651 1.00 0.00 C ATOM 910 O GLU A 58 -3.162 32.475 -12.559 1.00 0.00 O ATOM 911 CB GLU A 58 -3.142 31.888 -15.882 1.00 0.00 C ATOM 912 CG GLU A 58 -1.764 31.514 -15.338 1.00 0.00 C ATOM 913 CD GLU A 58 -0.760 31.389 -16.480 1.00 0.00 C ATOM 914 OE1 GLU A 58 -0.848 30.419 -17.217 1.00 0.00 O ATOM 915 OE2 GLU A 58 0.083 32.262 -16.601 1.00 0.00 O ATOM 0 H GLU A 58 -5.463 32.659 -16.194 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.300 31.043 -14.266 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.491 31.127 -16.580 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.087 32.826 -16.435 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.427 32.271 -14.630 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.824 30.572 -14.793 1.00 0.00 H new ATOM 922 N SER A 59 -3.361 34.207 -13.979 1.00 0.00 N ATOM 923 CA SER A 59 -2.784 35.166 -13.045 1.00 0.00 C ATOM 924 C SER A 59 -3.556 35.149 -11.731 1.00 0.00 C ATOM 925 O SER A 59 -2.989 35.328 -10.653 1.00 0.00 O ATOM 926 CB SER A 59 -2.829 36.568 -13.652 1.00 0.00 C ATOM 927 OG SER A 59 -2.161 36.559 -14.907 1.00 0.00 O ATOM 0 H SER A 59 -3.635 34.602 -14.879 1.00 0.00 H new ATOM 0 HA SER A 59 -1.748 34.890 -12.850 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.863 36.888 -13.780 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.355 37.283 -12.980 1.00 0.00 H new ATOM 0 HG SER A 59 -2.190 37.457 -15.299 1.00 0.00 H new ATOM 933 N CYS A 60 -4.858 34.924 -11.846 1.00 0.00 N ATOM 934 CA CYS A 60 -5.739 34.870 -10.682 1.00 0.00 C ATOM 935 C CYS A 60 -5.572 33.560 -9.922 1.00 0.00 C ATOM 936 O CYS A 60 -5.880 33.479 -8.732 1.00 0.00 O ATOM 937 CB CYS A 60 -7.196 35.036 -11.118 1.00 0.00 C ATOM 938 SG CYS A 60 -7.418 36.673 -11.854 1.00 0.00 S ATOM 0 H CYS A 60 -5.331 34.775 -12.737 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.465 35.687 -10.015 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.462 34.262 -11.838 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.860 34.917 -10.262 1.00 0.00 H new ATOM 943 N ARG A 61 -5.113 32.528 -10.625 1.00 0.00 N ATOM 944 CA ARG A 61 -4.940 31.212 -10.020 1.00 0.00 C ATOM 945 C ARG A 61 -3.959 31.266 -8.850 1.00 0.00 C ATOM 946 O ARG A 61 -4.189 30.635 -7.818 1.00 0.00 O ATOM 947 CB ARG A 61 -4.422 30.229 -11.073 1.00 0.00 C ATOM 948 CG ARG A 61 -4.486 28.797 -10.532 1.00 0.00 C ATOM 949 CD ARG A 61 -3.816 27.850 -11.529 1.00 0.00 C ATOM 950 NE ARG A 61 -4.387 28.036 -12.860 1.00 0.00 N ATOM 951 CZ ARG A 61 -5.487 27.394 -13.246 1.00 0.00 C ATOM 952 NH1 ARG A 61 -6.076 26.551 -12.441 1.00 0.00 N ATOM 953 NH2 ARG A 61 -5.976 27.609 -14.435 1.00 0.00 N ATOM 0 H ARG A 61 -4.855 32.578 -11.611 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.907 30.881 -9.642 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.018 30.310 -11.982 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.396 30.479 -11.342 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.986 28.739 -9.565 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.523 28.502 -10.373 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.743 28.038 -11.556 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.951 26.817 -11.208 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.931 28.675 -13.511 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.693 26.382 -11.511 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.919 26.062 -12.742 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.516 28.267 -15.064 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.819 27.120 -14.736 1.00 0.00 H new ATOM 967 N CYS A 62 -2.873 32.022 -9.009 1.00 0.00 N ATOM 968 CA CYS A 62 -1.886 32.137 -7.938 1.00 0.00 C ATOM 969 C CYS A 62 -2.564 32.635 -6.663 1.00 0.00 C ATOM 970 O CYS A 62 -2.551 31.960 -5.632 1.00 0.00 O ATOM 971 CB CYS A 62 -0.779 33.118 -8.346 1.00 0.00 C ATOM 972 SG CYS A 62 -0.102 32.650 -9.960 1.00 0.00 S ATOM 0 H CYS A 62 -2.657 32.554 -9.852 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.446 31.156 -7.756 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.178 34.132 -8.389 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.012 33.119 -7.597 1.00 0.00 H new ATOM 977 N GLU A 63 -3.169 33.818 -6.756 1.00 0.00 N ATOM 978 CA GLU A 63 -3.875 34.417 -5.627 1.00 0.00 C ATOM 979 C GLU A 63 -5.033 33.534 -5.166 1.00 0.00 C ATOM 980 O GLU A 63 -5.319 33.443 -3.973 1.00 0.00 O ATOM 981 CB GLU A 63 -4.425 35.788 -6.035 1.00 0.00 C ATOM 982 CG GLU A 63 -5.051 36.483 -4.818 1.00 0.00 C ATOM 983 CD GLU A 63 -5.712 37.800 -5.231 1.00 0.00 C ATOM 984 OE1 GLU A 63 -5.763 38.078 -6.419 1.00 0.00 O ATOM 985 OE2 GLU A 63 -6.161 38.514 -4.348 1.00 0.00 O ATOM 0 H GLU A 63 -3.184 34.382 -7.606 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.168 34.522 -4.804 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.624 36.404 -6.444 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.171 35.671 -6.821 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.790 35.827 -4.358 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.284 36.674 -4.067 1.00 0.00 H new ATOM 992 N GLY A 64 -5.713 32.919 -6.131 1.00 0.00 N ATOM 993 CA GLY A 64 -6.871 32.077 -5.840 1.00 0.00 C ATOM 994 C GLY A 64 -6.581 31.028 -4.772 1.00 0.00 C ATOM 995 O GLY A 64 -7.204 31.029 -3.713 1.00 0.00 O ATOM 0 H GLY A 64 -5.482 32.988 -7.122 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.699 32.705 -5.511 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.192 31.579 -6.755 1.00 0.00 H new ATOM 999 N LEU A 65 -5.650 30.125 -5.058 1.00 0.00 N ATOM 1000 CA LEU A 65 -5.316 29.067 -4.108 1.00 0.00 C ATOM 1001 C LEU A 65 -4.919 29.639 -2.750 1.00 0.00 C ATOM 1002 O LEU A 65 -5.415 29.192 -1.716 1.00 0.00 O ATOM 1003 CB LEU A 65 -4.180 28.205 -4.665 1.00 0.00 C ATOM 1004 CG LEU A 65 -4.631 27.547 -5.975 1.00 0.00 C ATOM 1005 CD1 LEU A 65 -3.524 26.625 -6.493 1.00 0.00 C ATOM 1006 CD2 LEU A 65 -5.905 26.727 -5.728 1.00 0.00 C ATOM 0 H LEU A 65 -5.118 30.102 -5.928 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.204 28.451 -3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.296 28.818 -4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.900 27.441 -3.940 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.836 28.321 -6.715 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.845 26.158 -7.424 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.620 27.207 -6.672 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.317 25.853 -5.752 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.224 26.260 -6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.702 25.955 -4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.695 27.383 -5.362 1.00 0.00 H new ATOM 1018 N ARG A 66 -4.028 30.628 -2.754 1.00 0.00 N ATOM 1019 CA ARG A 66 -3.587 31.244 -1.505 1.00 0.00 C ATOM 1020 C ARG A 66 -4.775 31.826 -0.743 1.00 0.00 C ATOM 1021 O ARG A 66 -4.975 31.533 0.437 1.00 0.00 O ATOM 1022 CB ARG A 66 -2.574 32.353 -1.804 1.00 0.00 C ATOM 1023 CG ARG A 66 -1.317 31.746 -2.433 1.00 0.00 C ATOM 1024 CD ARG A 66 -0.288 32.849 -2.690 1.00 0.00 C ATOM 1025 NE ARG A 66 0.240 33.354 -1.426 1.00 0.00 N ATOM 1026 CZ ARG A 66 1.187 34.288 -1.394 1.00 0.00 C ATOM 1027 NH1 ARG A 66 1.667 34.774 -2.506 1.00 0.00 N ATOM 1028 NH2 ARG A 66 1.636 34.719 -0.248 1.00 0.00 N ATOM 0 H ARG A 66 -3.602 31.016 -3.596 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.118 30.478 -0.887 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.013 33.087 -2.480 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.315 32.880 -0.886 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.896 30.989 -1.771 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.571 31.246 -3.368 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.526 32.461 -3.303 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.749 33.662 -3.250 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.125 32.983 -0.549 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.316 34.438 -3.403 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.393 35.490 -2.478 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.261 34.340 0.622 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.362 35.435 -0.221 1.00 0.00 H new ATOM 1042 N MET A 67 -5.562 32.646 -1.436 1.00 0.00 N ATOM 1043 CA MET A 67 -6.740 33.270 -0.839 1.00 0.00 C ATOM 1044 C MET A 67 -7.747 32.226 -0.371 1.00 0.00 C ATOM 1045 O MET A 67 -8.274 32.306 0.740 1.00 0.00 O ATOM 1046 CB MET A 67 -7.401 34.197 -1.868 1.00 0.00 C ATOM 1047 CG MET A 67 -8.853 34.474 -1.465 1.00 0.00 C ATOM 1048 SD MET A 67 -9.575 35.695 -2.591 1.00 0.00 S ATOM 1049 CE MET A 67 -8.595 37.121 -2.057 1.00 0.00 C ATOM 0 H MET A 67 -5.405 32.894 -2.413 1.00 0.00 H new ATOM 0 HA MET A 67 -6.419 33.843 0.031 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.848 35.134 -1.934 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.370 33.738 -2.856 1.00 0.00 H new ATOM 0 HG2 MET A 67 -9.431 33.551 -1.495 1.00 0.00 H new ATOM 0 HG3 MET A 67 -8.892 34.842 -0.440 1.00 0.00 H new ATOM 0 HE1 MET A 67 -9.125 38.040 -2.305 1.00 0.00 H new ATOM 0 HE2 MET A 67 -8.438 37.072 -0.979 1.00 0.00 H new ATOM 0 HE3 MET A 67 -7.631 37.110 -2.565 1.00 0.00 H new ATOM 1059 N MET A 68 -8.026 31.264 -1.243 1.00 0.00 N ATOM 1060 CA MET A 68 -8.992 30.216 -0.941 1.00 0.00 C ATOM 1061 C MET A 68 -8.579 29.411 0.286 1.00 0.00 C ATOM 1062 O MET A 68 -9.413 29.100 1.134 1.00 0.00 O ATOM 1063 CB MET A 68 -9.122 29.292 -2.154 1.00 0.00 C ATOM 1064 CG MET A 68 -10.280 28.310 -1.954 1.00 0.00 C ATOM 1065 SD MET A 68 -11.785 28.992 -2.695 1.00 0.00 S ATOM 1066 CE MET A 68 -12.276 30.056 -1.316 1.00 0.00 C ATOM 0 H MET A 68 -7.596 31.189 -2.165 1.00 0.00 H new ATOM 0 HA MET A 68 -9.952 30.682 -0.720 1.00 0.00 H new ATOM 0 HB2 MET A 68 -9.290 29.884 -3.054 1.00 0.00 H new ATOM 0 HB3 MET A 68 -8.192 28.743 -2.302 1.00 0.00 H new ATOM 0 HG2 MET A 68 -10.040 27.350 -2.411 1.00 0.00 H new ATOM 0 HG3 MET A 68 -10.436 28.127 -0.891 1.00 0.00 H new ATOM 0 HE1 MET A 68 -13.336 30.295 -1.401 1.00 0.00 H new ATOM 0 HE2 MET A 68 -12.095 29.538 -0.374 1.00 0.00 H new ATOM 0 HE3 MET A 68 -11.693 30.977 -1.341 1.00 0.00 H new ATOM 1076 N MET A 69 -7.295 29.076 0.380 1.00 0.00 N ATOM 1077 CA MET A 69 -6.804 28.303 1.517 1.00 0.00 C ATOM 1078 C MET A 69 -7.256 28.937 2.832 1.00 0.00 C ATOM 1079 O MET A 69 -7.927 28.298 3.643 1.00 0.00 O ATOM 1080 CB MET A 69 -5.274 28.231 1.476 1.00 0.00 C ATOM 1081 CG MET A 69 -4.771 27.284 2.570 1.00 0.00 C ATOM 1082 SD MET A 69 -2.960 27.306 2.602 1.00 0.00 S ATOM 1083 CE MET A 69 -2.758 28.934 3.369 1.00 0.00 C ATOM 0 H MET A 69 -6.584 29.324 -0.308 1.00 0.00 H new ATOM 0 HA MET A 69 -7.215 27.296 1.455 1.00 0.00 H new ATOM 0 HB2 MET A 69 -4.943 27.881 0.498 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.850 29.225 1.619 1.00 0.00 H new ATOM 0 HG2 MET A 69 -5.166 27.588 3.539 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.130 26.272 2.383 1.00 0.00 H new ATOM 0 HE1 MET A 69 -1.978 28.884 4.129 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.477 29.662 2.608 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.697 29.237 3.832 1.00 0.00 H new ATOM 1093 N ARG A 70 -6.887 30.199 3.028 1.00 0.00 N ATOM 1094 CA ARG A 70 -7.262 30.923 4.238 1.00 0.00 C ATOM 1095 C ARG A 70 -8.782 31.008 4.381 1.00 0.00 C ATOM 1096 O ARG A 70 -9.321 30.858 5.478 1.00 0.00 O ATOM 1097 CB ARG A 70 -6.669 32.335 4.202 1.00 0.00 C ATOM 1098 CG ARG A 70 -6.940 33.045 5.532 1.00 0.00 C ATOM 1099 CD ARG A 70 -6.309 34.439 5.509 1.00 0.00 C ATOM 1100 NE ARG A 70 -7.016 35.298 4.564 1.00 0.00 N ATOM 1101 CZ ARG A 70 -6.679 36.576 4.401 1.00 0.00 C ATOM 1102 NH1 ARG A 70 -5.698 37.090 5.093 1.00 0.00 N ATOM 1103 NH2 ARG A 70 -7.330 37.317 3.547 1.00 0.00 N ATOM 0 H ARG A 70 -6.330 30.740 2.367 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.867 30.379 5.096 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.596 32.284 4.018 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.106 32.902 3.380 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.014 33.124 5.701 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.529 32.463 6.357 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.343 34.878 6.506 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.258 34.366 5.229 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.785 34.911 4.017 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.187 36.512 5.761 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.442 38.069 4.966 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.096 36.917 3.005 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.073 38.296 3.421 1.00 0.00 H new ATOM 1117 N MET A 71 -9.462 31.263 3.264 1.00 0.00 N ATOM 1118 CA MET A 71 -10.914 31.384 3.263 1.00 0.00 C ATOM 1119 C MET A 71 -11.569 30.078 3.689 1.00 0.00 C ATOM 1120 O MET A 71 -12.581 30.082 4.389 1.00 0.00 O ATOM 1121 CB MET A 71 -11.404 31.778 1.867 1.00 0.00 C ATOM 1122 CG MET A 71 -12.888 32.157 1.927 1.00 0.00 C ATOM 1123 SD MET A 71 -13.510 32.457 0.253 1.00 0.00 S ATOM 1124 CE MET A 71 -12.483 33.899 -0.127 1.00 0.00 C ATOM 0 H MET A 71 -9.028 31.389 2.350 1.00 0.00 H new ATOM 0 HA MET A 71 -11.193 32.158 3.978 1.00 0.00 H new ATOM 0 HB2 MET A 71 -10.820 32.617 1.490 1.00 0.00 H new ATOM 0 HB3 MET A 71 -11.258 30.950 1.173 1.00 0.00 H new ATOM 0 HG2 MET A 71 -13.459 31.357 2.399 1.00 0.00 H new ATOM 0 HG3 MET A 71 -13.021 33.048 2.540 1.00 0.00 H new ATOM 0 HE1 MET A 71 -13.054 34.603 -0.731 1.00 0.00 H new ATOM 0 HE2 MET A 71 -12.177 34.382 0.801 1.00 0.00 H new ATOM 0 HE3 MET A 71 -11.599 33.581 -0.679 1.00 0.00 H new ATOM 1134 N MET A 72 -10.991 28.961 3.255 1.00 0.00 N ATOM 1135 CA MET A 72 -11.545 27.660 3.597 1.00 0.00 C ATOM 1136 C MET A 72 -11.633 27.487 5.107 1.00 0.00 C ATOM 1137 O MET A 72 -12.684 27.131 5.641 1.00 0.00 O ATOM 1138 CB MET A 72 -10.678 26.544 3.005 1.00 0.00 C ATOM 1139 CG MET A 72 -10.943 26.421 1.502 1.00 0.00 C ATOM 1140 SD MET A 72 -12.654 25.894 1.234 1.00 0.00 S ATOM 1141 CE MET A 72 -12.535 24.294 2.074 1.00 0.00 C ATOM 0 H MET A 72 -10.152 28.932 2.675 1.00 0.00 H new ATOM 0 HA MET A 72 -12.550 27.601 3.178 1.00 0.00 H new ATOM 0 HB2 MET A 72 -9.624 26.758 3.181 1.00 0.00 H new ATOM 0 HB3 MET A 72 -10.898 25.599 3.501 1.00 0.00 H new ATOM 0 HG2 MET A 72 -10.764 27.377 1.011 1.00 0.00 H new ATOM 0 HG3 MET A 72 -10.255 25.701 1.058 1.00 0.00 H new ATOM 0 HE1 MET A 72 -12.967 23.518 1.442 1.00 0.00 H new ATOM 0 HE2 MET A 72 -11.488 24.062 2.268 1.00 0.00 H new ATOM 0 HE3 MET A 72 -13.078 24.337 3.018 1.00 0.00 H new ATOM 1151 N GLN A 73 -10.525 27.752 5.791 1.00 0.00 N ATOM 1152 CA GLN A 73 -10.489 27.632 7.244 1.00 0.00 C ATOM 1153 C GLN A 73 -11.495 28.583 7.880 1.00 0.00 C ATOM 1154 O GLN A 73 -12.199 28.224 8.820 1.00 0.00 O ATOM 1155 CB GLN A 73 -9.081 27.944 7.762 1.00 0.00 C ATOM 1156 CG GLN A 73 -8.066 27.012 7.093 1.00 0.00 C ATOM 1157 CD GLN A 73 -8.557 25.571 7.162 1.00 0.00 C ATOM 1158 OE1 GLN A 73 -8.600 24.977 8.241 1.00 0.00 O ATOM 1159 NE2 GLN A 73 -8.946 24.978 6.070 1.00 0.00 N ATOM 0 H GLN A 73 -9.646 28.049 5.367 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.752 26.609 7.515 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.828 28.983 7.552 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.045 27.819 8.844 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.920 27.306 6.054 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.099 27.099 7.588 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.909 25.474 5.179 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.288 24.018 6.105 1.00 0.00 H new ATOM 1168 N GLN A 74 -11.552 29.802 7.354 1.00 0.00 N ATOM 1169 CA GLN A 74 -12.471 30.809 7.871 1.00 0.00 C ATOM 1170 C GLN A 74 -13.927 30.371 7.720 1.00 0.00 C ATOM 1171 O GLN A 74 -14.735 30.561 8.631 1.00 0.00 O ATOM 1172 CB GLN A 74 -12.242 32.137 7.142 1.00 0.00 C ATOM 1173 CG GLN A 74 -13.471 33.033 7.318 1.00 0.00 C ATOM 1174 CD GLN A 74 -14.284 33.055 6.030 1.00 0.00 C ATOM 1175 OE1 GLN A 74 -15.031 33.999 5.779 1.00 0.00 O ATOM 1176 NE2 GLN A 74 -14.181 32.058 5.196 1.00 0.00 N ATOM 0 H GLN A 74 -10.975 30.116 6.573 1.00 0.00 H new ATOM 0 HA GLN A 74 -12.273 30.936 8.935 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -11.356 32.634 7.538 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -12.059 31.956 6.083 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -14.085 32.666 8.140 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -13.160 34.044 7.580 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -13.560 31.277 5.409 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -14.721 32.059 4.331 1.00 0.00 H new ATOM 1185 N LYS A 75 -14.260 29.804 6.568 1.00 0.00 N ATOM 1186 CA LYS A 75 -15.628 29.368 6.311 1.00 0.00 C ATOM 1187 C LYS A 75 -16.081 28.358 7.360 1.00 0.00 C ATOM 1188 O LYS A 75 -17.207 28.423 7.855 1.00 0.00 O ATOM 1189 CB LYS A 75 -15.714 28.739 4.916 1.00 0.00 C ATOM 1190 CG LYS A 75 -17.175 28.427 4.569 1.00 0.00 C ATOM 1191 CD LYS A 75 -17.908 29.721 4.207 1.00 0.00 C ATOM 1192 CE LYS A 75 -19.335 29.396 3.759 1.00 0.00 C ATOM 1193 NZ LYS A 75 -20.037 30.654 3.381 1.00 0.00 N ATOM 0 H LYS A 75 -13.608 29.636 5.802 1.00 0.00 H new ATOM 0 HA LYS A 75 -16.284 30.237 6.363 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -15.293 29.419 4.175 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -15.121 27.825 4.883 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -17.219 27.727 3.734 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.665 27.945 5.415 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.930 30.391 5.067 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -17.376 30.241 3.411 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -19.314 28.710 2.912 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -19.874 28.894 4.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -21.007 30.433 3.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -20.069 31.293 4.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -19.526 31.116 2.601 1.00 0.00 H new ATOM 1207 N GLU A 76 -15.194 27.428 7.693 1.00 0.00 N ATOM 1208 CA GLU A 76 -15.506 26.403 8.689 1.00 0.00 C ATOM 1209 C GLU A 76 -14.239 25.663 9.116 1.00 0.00 C ATOM 1210 O GLU A 76 -14.010 24.524 8.703 1.00 0.00 O ATOM 1211 CB GLU A 76 -16.521 25.409 8.111 1.00 0.00 C ATOM 1212 CG GLU A 76 -17.030 24.478 9.220 1.00 0.00 C ATOM 1213 CD GLU A 76 -17.870 25.257 10.235 1.00 0.00 C ATOM 1214 OE1 GLU A 76 -18.465 26.254 9.854 1.00 0.00 O ATOM 1215 OE2 GLU A 76 -17.905 24.844 11.383 1.00 0.00 O ATOM 0 H GLU A 76 -14.258 27.360 7.293 1.00 0.00 H new ATOM 0 HA GLU A 76 -15.935 26.889 9.565 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -17.357 25.948 7.664 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.058 24.824 7.317 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.627 23.677 8.784 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.185 24.008 9.724 1.00 0.00 H new ATOM 1222 N MET A 77 -13.415 26.315 9.930 1.00 0.00 N ATOM 1223 CA MET A 77 -12.170 25.702 10.391 1.00 0.00 C ATOM 1224 C MET A 77 -12.440 24.371 11.096 1.00 0.00 C ATOM 1225 O MET A 77 -12.669 24.335 12.305 1.00 0.00 O ATOM 1226 CB MET A 77 -11.446 26.654 11.351 1.00 0.00 C ATOM 1227 CG MET A 77 -10.042 26.118 11.648 1.00 0.00 C ATOM 1228 SD MET A 77 -9.271 27.120 12.945 1.00 0.00 S ATOM 1229 CE MET A 77 -9.174 28.673 12.017 1.00 0.00 C ATOM 0 H MET A 77 -13.582 27.258 10.282 1.00 0.00 H new ATOM 0 HA MET A 77 -11.543 25.510 9.520 1.00 0.00 H new ATOM 0 HB2 MET A 77 -11.380 27.649 10.911 1.00 0.00 H new ATOM 0 HB3 MET A 77 -12.012 26.752 12.277 1.00 0.00 H new ATOM 0 HG2 MET A 77 -10.099 25.077 11.964 1.00 0.00 H new ATOM 0 HG3 MET A 77 -9.433 26.144 10.744 1.00 0.00 H new ATOM 0 HE1 MET A 77 -8.392 29.302 12.442 1.00 0.00 H new ATOM 0 HE2 MET A 77 -8.942 28.460 10.974 1.00 0.00 H new ATOM 0 HE3 MET A 77 -10.130 29.193 12.077 1.00 0.00 H new ATOM 1239 N GLN A 78 -12.391 23.278 10.335 1.00 0.00 N ATOM 1240 CA GLN A 78 -12.608 21.950 10.905 1.00 0.00 C ATOM 1241 C GLN A 78 -11.618 21.712 12.044 1.00 0.00 C ATOM 1242 O GLN A 78 -10.441 22.054 11.918 1.00 0.00 O ATOM 1243 CB GLN A 78 -12.422 20.876 9.828 1.00 0.00 C ATOM 1244 CG GLN A 78 -13.518 21.015 8.767 1.00 0.00 C ATOM 1245 CD GLN A 78 -13.794 19.661 8.121 1.00 0.00 C ATOM 1246 OE1 GLN A 78 -12.937 19.117 7.425 1.00 0.00 O ATOM 1247 NE2 GLN A 78 -14.946 19.080 8.313 1.00 0.00 N ATOM 0 H GLN A 78 -12.205 23.285 9.332 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.626 21.892 11.290 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.440 20.977 9.366 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.462 19.884 10.279 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.429 21.402 9.222 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -13.211 21.734 8.007 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -15.655 19.532 8.890 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -15.138 18.174 7.886 1.00 0.00 H new ATOM 1256 N PRO A 79 -12.049 21.143 13.144 1.00 0.00 N ATOM 1257 CA PRO A 79 -11.163 20.875 14.295 1.00 0.00 C ATOM 1258 C PRO A 79 -10.589 19.466 14.249 1.00 0.00 C ATOM 1259 O PRO A 79 -11.300 18.487 14.465 1.00 0.00 O ATOM 1260 CB PRO A 79 -12.116 21.033 15.469 1.00 0.00 C ATOM 1261 CG PRO A 79 -13.419 20.507 14.959 1.00 0.00 C ATOM 1262 CD PRO A 79 -13.413 20.688 13.430 1.00 0.00 C ATOM 0 HA PRO A 79 -10.293 21.531 14.333 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.773 20.472 16.338 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.200 22.076 15.776 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -13.540 19.456 15.222 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -14.254 21.046 15.407 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -13.641 19.755 12.915 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -14.155 21.419 13.110 1.00 0.00 H new ATOM 1270 N ARG A 80 -9.295 19.400 13.996 1.00 0.00 N ATOM 1271 CA ARG A 80 -8.560 18.137 13.931 1.00 0.00 C ATOM 1272 C ARG A 80 -7.073 18.441 13.793 1.00 0.00 C ATOM 1273 O ARG A 80 -6.682 19.252 12.952 1.00 0.00 O ATOM 1274 CB ARG A 80 -8.998 17.280 12.732 1.00 0.00 C ATOM 1275 CG ARG A 80 -10.313 16.550 13.032 1.00 0.00 C ATOM 1276 CD ARG A 80 -10.438 15.327 12.122 1.00 0.00 C ATOM 1277 NE ARG A 80 -11.756 14.716 12.274 1.00 0.00 N ATOM 1278 CZ ARG A 80 -11.957 13.424 12.023 1.00 0.00 C ATOM 1279 NH1 ARG A 80 -10.969 12.667 11.628 1.00 0.00 N ATOM 1280 NH2 ARG A 80 -13.148 12.912 12.171 1.00 0.00 N ATOM 0 H ARG A 80 -8.715 20.222 13.828 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.768 17.578 14.844 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -9.121 17.913 11.853 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -8.220 16.554 12.495 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -10.340 16.243 14.077 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -11.158 17.221 12.875 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -10.283 15.620 11.084 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -9.663 14.601 12.368 1.00 0.00 H new ATOM 0 HE ARG A 80 -12.540 15.292 12.579 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -10.037 13.065 11.510 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -11.129 11.678 11.437 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -13.922 13.501 12.478 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -13.305 11.923 11.979 1.00 0.00 H new ATOM 1294 N GLY A 81 -6.244 17.808 14.617 1.00 0.00 N ATOM 1295 CA GLY A 81 -4.807 18.058 14.553 1.00 0.00 C ATOM 1296 C GLY A 81 -4.097 17.110 13.589 1.00 0.00 C ATOM 1297 O GLY A 81 -3.669 17.517 12.509 1.00 0.00 O ATOM 0 H GLY A 81 -6.533 17.132 15.323 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.633 19.088 14.241 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.377 17.950 15.549 1.00 0.00 H new ATOM 1301 N GLU A 82 -3.957 15.851 13.998 1.00 0.00 N ATOM 1302 CA GLU A 82 -3.272 14.848 13.180 1.00 0.00 C ATOM 1303 C GLU A 82 -3.966 14.603 11.840 1.00 0.00 C ATOM 1304 O GLU A 82 -3.303 14.473 10.809 1.00 0.00 O ATOM 1305 CB GLU A 82 -3.184 13.526 13.950 1.00 0.00 C ATOM 1306 CG GLU A 82 -2.271 13.697 15.173 1.00 0.00 C ATOM 1307 CD GLU A 82 -3.009 14.409 16.310 1.00 0.00 C ATOM 1308 OE1 GLU A 82 -4.226 14.321 16.360 1.00 0.00 O ATOM 1309 OE2 GLU A 82 -2.342 15.037 17.116 1.00 0.00 O ATOM 0 H GLU A 82 -4.307 15.500 14.889 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.276 15.237 12.967 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.178 13.213 14.268 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.795 12.742 13.301 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.926 12.721 15.513 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.386 14.269 14.894 1.00 0.00 H new ATOM 1316 N GLN A 83 -5.293 14.506 11.859 1.00 0.00 N ATOM 1317 CA GLN A 83 -6.047 14.235 10.635 1.00 0.00 C ATOM 1318 C GLN A 83 -5.820 15.312 9.575 1.00 0.00 C ATOM 1319 O GLN A 83 -5.282 15.034 8.503 1.00 0.00 O ATOM 1320 CB GLN A 83 -7.540 14.146 10.959 1.00 0.00 C ATOM 1321 CG GLN A 83 -8.304 13.635 9.736 1.00 0.00 C ATOM 1322 CD GLN A 83 -7.991 12.161 9.509 1.00 0.00 C ATOM 1323 OE1 GLN A 83 -8.348 11.317 10.331 1.00 0.00 O ATOM 1324 NE2 GLN A 83 -7.337 11.799 8.440 1.00 0.00 N ATOM 0 H GLN A 83 -5.864 14.609 12.698 1.00 0.00 H new ATOM 0 HA GLN A 83 -5.692 13.287 10.231 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.699 13.477 11.805 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.917 15.126 11.252 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.376 13.770 9.883 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -8.028 14.215 8.855 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -7.042 12.500 7.760 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -7.120 10.815 8.284 1.00 0.00 H new ATOM 1333 N MET A 84 -6.238 16.536 9.881 1.00 0.00 N ATOM 1334 CA MET A 84 -6.082 17.648 8.949 1.00 0.00 C ATOM 1335 C MET A 84 -4.617 17.898 8.607 1.00 0.00 C ATOM 1336 O MET A 84 -4.307 18.384 7.521 1.00 0.00 O ATOM 1337 CB MET A 84 -6.730 18.911 9.514 1.00 0.00 C ATOM 1338 CG MET A 84 -8.255 18.791 9.392 1.00 0.00 C ATOM 1339 SD MET A 84 -9.033 20.300 10.020 1.00 0.00 S ATOM 1340 CE MET A 84 -8.600 21.383 8.634 1.00 0.00 C ATOM 0 H MET A 84 -6.686 16.783 10.764 1.00 0.00 H new ATOM 0 HA MET A 84 -6.589 17.378 8.023 1.00 0.00 H new ATOM 0 HB2 MET A 84 -6.446 19.045 10.558 1.00 0.00 H new ATOM 0 HB3 MET A 84 -6.377 19.789 8.973 1.00 0.00 H new ATOM 0 HG2 MET A 84 -8.535 18.631 8.351 1.00 0.00 H new ATOM 0 HG3 MET A 84 -8.608 17.926 9.954 1.00 0.00 H new ATOM 0 HE1 MET A 84 -7.791 22.049 8.932 1.00 0.00 H new ATOM 0 HE2 MET A 84 -8.279 20.778 7.786 1.00 0.00 H new ATOM 0 HE3 MET A 84 -9.470 21.974 8.349 1.00 0.00 H new ATOM 1350 N ARG A 85 -3.711 17.566 9.524 1.00 0.00 N ATOM 1351 CA ARG A 85 -2.290 17.771 9.259 1.00 0.00 C ATOM 1352 C ARG A 85 -1.929 17.138 7.916 1.00 0.00 C ATOM 1353 O ARG A 85 -1.274 17.761 7.080 1.00 0.00 O ATOM 1354 CB ARG A 85 -1.450 17.143 10.377 1.00 0.00 C ATOM 1355 CG ARG A 85 0.036 17.423 10.134 1.00 0.00 C ATOM 1356 CD ARG A 85 0.848 16.908 11.324 1.00 0.00 C ATOM 1357 NE ARG A 85 0.746 15.453 11.413 1.00 0.00 N ATOM 1358 CZ ARG A 85 0.632 14.829 12.586 1.00 0.00 C ATOM 1359 NH1 ARG A 85 0.625 15.509 13.701 1.00 0.00 N ATOM 1360 NH2 ARG A 85 0.528 13.529 12.621 1.00 0.00 N ATOM 0 H ARG A 85 -3.928 17.163 10.436 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.080 18.840 9.224 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.752 17.549 11.342 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -1.625 16.068 10.415 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.365 16.935 9.216 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.200 18.493 10.003 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.892 17.201 11.215 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.484 17.362 12.246 1.00 0.00 H new ATOM 0 HE ARG A 85 0.762 14.900 10.556 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.707 16.525 13.679 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.537 15.024 14.594 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.534 12.993 11.753 1.00 0.00 H new ATOM 0 HH22 ARG A 85 0.441 13.048 13.516 1.00 0.00 H new ATOM 1374 N ARG A 86 -2.394 15.907 7.710 1.00 0.00 N ATOM 1375 CA ARG A 86 -2.153 15.199 6.455 1.00 0.00 C ATOM 1376 C ARG A 86 -2.794 15.954 5.291 1.00 0.00 C ATOM 1377 O ARG A 86 -2.249 16.000 4.186 1.00 0.00 O ATOM 1378 CB ARG A 86 -2.740 13.786 6.527 1.00 0.00 C ATOM 1379 CG ARG A 86 -2.016 12.979 7.609 1.00 0.00 C ATOM 1380 CD ARG A 86 -2.561 11.548 7.630 1.00 0.00 C ATOM 1381 NE ARG A 86 -2.167 10.842 6.412 1.00 0.00 N ATOM 1382 CZ ARG A 86 -2.842 9.778 5.978 1.00 0.00 C ATOM 1383 NH1 ARG A 86 -3.878 9.338 6.640 1.00 0.00 N ATOM 1384 NH2 ARG A 86 -2.463 9.172 4.885 1.00 0.00 N ATOM 0 H ARG A 86 -2.938 15.381 8.394 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.077 15.137 6.294 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.806 13.836 6.749 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.639 13.290 5.562 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.944 12.968 7.413 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.157 13.448 8.583 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.182 11.019 8.505 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.648 11.566 7.714 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.359 11.171 5.883 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.175 9.809 7.495 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.390 8.523 6.303 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.653 9.513 4.367 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.977 8.357 4.549 1.00 0.00 H new ATOM 1398 N MET A 87 -3.966 16.534 5.558 1.00 0.00 N ATOM 1399 CA MET A 87 -4.711 17.281 4.545 1.00 0.00 C ATOM 1400 C MET A 87 -3.843 18.347 3.884 1.00 0.00 C ATOM 1401 O MET A 87 -4.002 18.630 2.699 1.00 0.00 O ATOM 1402 CB MET A 87 -5.928 17.954 5.191 1.00 0.00 C ATOM 1403 CG MET A 87 -6.798 18.606 4.114 1.00 0.00 C ATOM 1404 SD MET A 87 -7.979 19.733 4.896 1.00 0.00 S ATOM 1405 CE MET A 87 -9.004 18.482 5.705 1.00 0.00 C ATOM 0 H MET A 87 -4.420 16.500 6.471 1.00 0.00 H new ATOM 0 HA MET A 87 -5.032 16.575 3.779 1.00 0.00 H new ATOM 0 HB2 MET A 87 -6.511 17.217 5.744 1.00 0.00 H new ATOM 0 HB3 MET A 87 -5.600 18.705 5.909 1.00 0.00 H new ATOM 0 HG2 MET A 87 -6.173 19.150 3.406 1.00 0.00 H new ATOM 0 HG3 MET A 87 -7.329 17.841 3.547 1.00 0.00 H new ATOM 0 HE1 MET A 87 -9.839 18.967 6.210 1.00 0.00 H new ATOM 0 HE2 MET A 87 -9.386 17.786 4.958 1.00 0.00 H new ATOM 0 HE3 MET A 87 -8.405 17.938 6.435 1.00 0.00 H new ATOM 1415 N MET A 88 -2.941 18.947 4.656 1.00 0.00 N ATOM 1416 CA MET A 88 -2.074 19.992 4.128 1.00 0.00 C ATOM 1417 C MET A 88 -1.378 19.529 2.850 1.00 0.00 C ATOM 1418 O MET A 88 -1.559 20.122 1.786 1.00 0.00 O ATOM 1419 CB MET A 88 -1.033 20.350 5.184 1.00 0.00 C ATOM 1420 CG MET A 88 -1.735 20.939 6.412 1.00 0.00 C ATOM 1421 SD MET A 88 -0.581 20.985 7.805 1.00 0.00 S ATOM 1422 CE MET A 88 0.792 21.763 6.927 1.00 0.00 C ATOM 0 H MET A 88 -2.793 18.729 5.641 1.00 0.00 H new ATOM 0 HA MET A 88 -2.678 20.866 3.886 1.00 0.00 H new ATOM 0 HB2 MET A 88 -0.466 19.463 5.466 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.321 21.069 4.779 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.095 21.944 6.191 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.607 20.338 6.669 1.00 0.00 H new ATOM 0 HE1 MET A 88 1.459 22.241 7.645 1.00 0.00 H new ATOM 0 HE2 MET A 88 1.343 21.006 6.369 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.405 22.512 6.237 1.00 0.00 H new ATOM 1432 N ARG A 89 -0.590 18.464 2.960 1.00 0.00 N ATOM 1433 CA ARG A 89 0.120 17.925 1.804 1.00 0.00 C ATOM 1434 C ARG A 89 -0.864 17.498 0.716 1.00 0.00 C ATOM 1435 O ARG A 89 -0.649 17.756 -0.469 1.00 0.00 O ATOM 1436 CB ARG A 89 0.971 16.723 2.228 1.00 0.00 C ATOM 1437 CG ARG A 89 2.017 17.165 3.259 1.00 0.00 C ATOM 1438 CD ARG A 89 3.067 18.055 2.587 1.00 0.00 C ATOM 1439 NE ARG A 89 4.127 18.390 3.534 1.00 0.00 N ATOM 1440 CZ ARG A 89 3.976 19.365 4.428 1.00 0.00 C ATOM 1441 NH1 ARG A 89 2.864 20.046 4.479 1.00 0.00 N ATOM 1442 NH2 ARG A 89 4.945 19.641 5.258 1.00 0.00 N ATOM 0 H ARG A 89 -0.427 17.960 3.831 1.00 0.00 H new ATOM 0 HA ARG A 89 0.767 18.706 1.403 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.334 15.947 2.652 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.465 16.290 1.358 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.533 17.708 4.071 1.00 0.00 H new ATOM 0 HG3 ARG A 89 2.497 16.292 3.701 1.00 0.00 H new ATOM 0 HD2 ARG A 89 3.490 17.542 1.723 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.598 18.967 2.218 1.00 0.00 H new ATOM 0 HE ARG A 89 5.002 17.866 3.510 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.105 19.832 3.832 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.754 20.792 5.166 1.00 0.00 H new ATOM 0 HH21 ARG A 89 5.815 19.110 5.221 1.00 0.00 H new ATOM 0 HH22 ARG A 89 4.832 20.387 5.944 1.00 0.00 H new ATOM 1456 N LEU A 90 -1.940 16.834 1.136 1.00 0.00 N ATOM 1457 CA LEU A 90 -2.960 16.358 0.204 1.00 0.00 C ATOM 1458 C LEU A 90 -3.608 17.523 -0.542 1.00 0.00 C ATOM 1459 O LEU A 90 -3.876 17.434 -1.741 1.00 0.00 O ATOM 1460 CB LEU A 90 -4.031 15.573 0.981 1.00 0.00 C ATOM 1461 CG LEU A 90 -4.959 14.805 0.022 1.00 0.00 C ATOM 1462 CD1 LEU A 90 -5.955 15.766 -0.637 1.00 0.00 C ATOM 1463 CD2 LEU A 90 -4.132 14.099 -1.061 1.00 0.00 C ATOM 0 H LEU A 90 -2.127 16.614 2.114 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.485 15.708 -0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.550 14.873 1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.619 16.259 1.590 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.510 14.060 0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.605 15.210 -1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.558 16.248 0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.411 16.524 -1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.798 13.559 -1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.567 14.839 -1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.443 13.397 -0.592 1.00 0.00 H new ATOM 1475 N ALA A 91 -3.868 18.610 0.180 1.00 0.00 N ATOM 1476 CA ALA A 91 -4.500 19.785 -0.412 1.00 0.00 C ATOM 1477 C ALA A 91 -3.710 20.293 -1.614 1.00 0.00 C ATOM 1478 O ALA A 91 -4.287 20.590 -2.654 1.00 0.00 O ATOM 1479 CB ALA A 91 -4.612 20.899 0.632 1.00 0.00 C ATOM 0 H ALA A 91 -3.652 18.701 1.173 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.494 19.495 -0.751 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.085 21.772 0.183 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.215 20.552 1.471 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.617 21.167 0.986 1.00 0.00 H new ATOM 1485 N GLU A 92 -2.392 20.393 -1.457 1.00 0.00 N ATOM 1486 CA GLU A 92 -1.524 20.871 -2.535 1.00 0.00 C ATOM 1487 C GLU A 92 -1.647 20.004 -3.789 1.00 0.00 C ATOM 1488 O GLU A 92 -1.457 20.487 -4.905 1.00 0.00 O ATOM 1489 CB GLU A 92 -0.066 20.883 -2.061 1.00 0.00 C ATOM 1490 CG GLU A 92 0.832 21.464 -3.164 1.00 0.00 C ATOM 1491 CD GLU A 92 1.296 20.365 -4.124 1.00 0.00 C ATOM 1492 OE1 GLU A 92 1.470 19.240 -3.680 1.00 0.00 O ATOM 1493 OE2 GLU A 92 1.475 20.668 -5.291 1.00 0.00 O ATOM 0 H GLU A 92 -1.901 20.150 -0.597 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.841 21.882 -2.792 1.00 0.00 H new ATOM 0 HB2 GLU A 92 0.026 21.478 -1.152 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.254 19.871 -1.813 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.287 22.230 -3.717 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.698 21.950 -2.715 1.00 0.00 H new ATOM 1500 N ASN A 93 -1.941 18.722 -3.601 1.00 0.00 N ATOM 1501 CA ASN A 93 -2.059 17.803 -4.732 1.00 0.00 C ATOM 1502 C ASN A 93 -3.293 18.113 -5.579 1.00 0.00 C ATOM 1503 O ASN A 93 -3.273 17.934 -6.796 1.00 0.00 O ATOM 1504 CB ASN A 93 -2.138 16.360 -4.224 1.00 0.00 C ATOM 1505 CG ASN A 93 -0.892 16.022 -3.410 1.00 0.00 C ATOM 1506 OD1 ASN A 93 -0.993 15.430 -2.335 1.00 0.00 O ATOM 1507 ND2 ASN A 93 0.284 16.364 -3.859 1.00 0.00 N ATOM 0 H ASN A 93 -2.101 18.297 -2.688 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.175 17.929 -5.358 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.029 16.231 -3.610 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.229 15.674 -5.066 1.00 0.00 H new ATOM 0 HD21 ASN A 93 1.120 16.141 -3.320 1.00 0.00 H new ATOM 0 HD22 ASN A 93 0.367 16.854 -4.750 1.00 0.00 H new ATOM 1514 N ILE A 94 -4.363 18.568 -4.932 1.00 0.00 N ATOM 1515 CA ILE A 94 -5.601 18.886 -5.644 1.00 0.00 C ATOM 1516 C ILE A 94 -5.357 19.874 -6.794 1.00 0.00 C ATOM 1517 O ILE A 94 -5.698 19.584 -7.937 1.00 0.00 O ATOM 1518 CB ILE A 94 -6.640 19.450 -4.666 1.00 0.00 C ATOM 1519 CG1 ILE A 94 -7.070 18.345 -3.695 1.00 0.00 C ATOM 1520 CG2 ILE A 94 -7.865 19.952 -5.442 1.00 0.00 C ATOM 1521 CD1 ILE A 94 -7.851 18.958 -2.529 1.00 0.00 C ATOM 0 H ILE A 94 -4.400 18.724 -3.925 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.982 17.963 -6.080 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.202 20.280 -4.111 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -7.688 17.612 -4.214 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.194 17.816 -3.320 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.600 20.351 -4.743 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -7.560 20.736 -6.136 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -8.306 19.126 -5.999 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -8.155 18.170 -1.840 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -7.219 19.674 -2.004 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -8.736 19.467 -2.911 1.00 0.00 H new ATOM 1533 N PRO A 95 -4.785 21.023 -6.523 1.00 0.00 N ATOM 1534 CA PRO A 95 -4.508 22.055 -7.571 1.00 0.00 C ATOM 1535 C PRO A 95 -3.486 21.588 -8.608 1.00 0.00 C ATOM 1536 O PRO A 95 -3.466 22.089 -9.732 1.00 0.00 O ATOM 1537 CB PRO A 95 -3.964 23.252 -6.781 1.00 0.00 C ATOM 1538 CG PRO A 95 -3.478 22.696 -5.490 1.00 0.00 C ATOM 1539 CD PRO A 95 -4.338 21.471 -5.197 1.00 0.00 C ATOM 0 HA PRO A 95 -5.405 22.285 -8.146 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.157 23.745 -7.323 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -4.741 23.999 -6.618 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.425 22.424 -5.556 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -3.567 23.433 -4.692 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -3.767 20.696 -4.686 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -5.183 21.721 -4.555 1.00 0.00 H new ATOM 1547 N SER A 96 -2.652 20.621 -8.230 1.00 0.00 N ATOM 1548 CA SER A 96 -1.642 20.086 -9.137 1.00 0.00 C ATOM 1549 C SER A 96 -2.339 19.489 -10.333 1.00 0.00 C ATOM 1550 O SER A 96 -1.875 19.563 -11.471 1.00 0.00 O ATOM 1551 CB SER A 96 -0.806 19.015 -8.434 1.00 0.00 C ATOM 1552 OG SER A 96 -0.304 19.537 -7.211 1.00 0.00 O ATOM 0 H SER A 96 -2.657 20.194 -7.304 1.00 0.00 H new ATOM 0 HA SER A 96 -0.974 20.887 -9.453 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.414 18.131 -8.243 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.019 18.703 -9.075 1.00 0.00 H new ATOM 0 HG SER A 96 -1.045 19.668 -6.583 1.00 0.00 H new ATOM 1558 N ARG A 97 -3.471 18.893 -10.023 1.00 0.00 N ATOM 1559 CA ARG A 97 -4.311 18.247 -11.000 1.00 0.00 C ATOM 1560 C ARG A 97 -4.694 19.194 -12.137 1.00 0.00 C ATOM 1561 O ARG A 97 -4.717 18.794 -13.301 1.00 0.00 O ATOM 1562 CB ARG A 97 -5.569 17.773 -10.282 1.00 0.00 C ATOM 1563 CG ARG A 97 -5.215 16.706 -9.238 1.00 0.00 C ATOM 1564 CD ARG A 97 -4.800 15.408 -9.940 1.00 0.00 C ATOM 1565 NE ARG A 97 -4.626 14.337 -8.962 1.00 0.00 N ATOM 1566 CZ ARG A 97 -5.669 13.682 -8.453 1.00 0.00 C ATOM 1567 NH1 ARG A 97 -6.884 13.996 -8.815 1.00 0.00 N ATOM 1568 NH2 ARG A 97 -5.477 12.725 -7.587 1.00 0.00 N ATOM 0 H ARG A 97 -3.835 18.845 -9.072 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.768 17.414 -11.446 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.060 18.617 -9.797 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.276 17.365 -11.004 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.404 17.061 -8.602 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.071 16.521 -8.589 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.557 15.123 -10.671 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -3.871 15.564 -10.488 1.00 0.00 H new ATOM 0 HE ARG A 97 -3.684 14.085 -8.662 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.038 14.745 -9.490 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -7.679 13.492 -8.423 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -4.529 12.479 -7.300 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -6.274 12.223 -7.197 1.00 0.00 H new ATOM 1582 N CYS A 98 -4.994 20.448 -11.796 1.00 0.00 N ATOM 1583 CA CYS A 98 -5.373 21.433 -12.797 1.00 0.00 C ATOM 1584 C CYS A 98 -4.226 22.371 -13.079 1.00 0.00 C ATOM 1585 O CYS A 98 -4.309 23.196 -13.989 1.00 0.00 O ATOM 1586 CB CYS A 98 -6.566 22.260 -12.325 1.00 0.00 C ATOM 1587 SG CYS A 98 -7.507 21.329 -11.092 1.00 0.00 S ATOM 0 H CYS A 98 -4.981 20.800 -10.839 1.00 0.00 H new ATOM 0 HA CYS A 98 -5.641 20.889 -13.703 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -6.221 23.202 -11.898 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -7.205 22.509 -13.172 1.00 0.00 H new ATOM 1592 N ASN A 99 -3.170 22.283 -12.275 1.00 0.00 N ATOM 1593 CA ASN A 99 -2.060 23.188 -12.462 1.00 0.00 C ATOM 1594 C ASN A 99 -1.541 23.131 -13.868 1.00 0.00 C ATOM 1595 O ASN A 99 -1.707 22.149 -14.594 1.00 0.00 O ATOM 1596 CB ASN A 99 -0.918 22.970 -11.500 1.00 0.00 C ATOM 1597 CG ASN A 99 -1.222 23.673 -10.182 1.00 0.00 C ATOM 1598 OD1 ASN A 99 -0.934 23.147 -9.107 1.00 0.00 O ATOM 1599 ND2 ASN A 99 -1.789 24.850 -10.209 1.00 0.00 N ATOM 0 H ASN A 99 -3.067 21.613 -11.513 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.469 24.177 -12.254 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -0.770 21.904 -11.330 1.00 0.00 H new ATOM 0 HB3 ASN A 99 0.008 23.356 -11.925 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -1.995 25.337 -9.337 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -2.026 25.282 -11.102 1.00 0.00 H new ATOM 1606 N LEU A 100 -1.001 24.257 -14.249 1.00 0.00 N ATOM 1607 CA LEU A 100 -0.531 24.465 -15.592 1.00 0.00 C ATOM 1608 C LEU A 100 0.614 25.474 -15.607 1.00 0.00 C ATOM 1609 O LEU A 100 0.557 26.485 -14.911 1.00 0.00 O ATOM 1610 CB LEU A 100 -1.728 25.003 -16.383 1.00 0.00 C ATOM 1611 CG LEU A 100 -2.807 25.490 -15.380 1.00 0.00 C ATOM 1612 CD1 LEU A 100 -2.462 26.897 -14.893 1.00 0.00 C ATOM 1613 CD2 LEU A 100 -4.176 25.485 -16.040 1.00 0.00 C ATOM 0 H LEU A 100 -0.874 25.060 -13.633 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.150 23.541 -16.026 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.416 25.823 -17.030 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.135 24.225 -17.028 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.830 24.813 -14.526 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.222 27.235 -14.189 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -1.491 26.883 -14.399 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.427 27.578 -15.743 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.925 25.829 -15.327 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.166 26.150 -16.904 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.420 24.473 -16.364 1.00 0.00 H new ATOM 1625 N SER A 101 1.645 25.185 -16.401 1.00 0.00 N ATOM 1626 CA SER A 101 2.814 26.062 -16.511 1.00 0.00 C ATOM 1627 C SER A 101 2.393 27.532 -16.505 1.00 0.00 C ATOM 1628 O SER A 101 2.000 28.080 -17.536 1.00 0.00 O ATOM 1629 CB SER A 101 3.573 25.752 -17.803 1.00 0.00 C ATOM 1630 OG SER A 101 2.659 25.728 -18.892 1.00 0.00 O ATOM 0 H SER A 101 1.696 24.347 -16.980 1.00 0.00 H new ATOM 0 HA SER A 101 3.461 25.882 -15.653 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.342 26.505 -17.976 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.081 24.791 -17.718 1.00 0.00 H new ATOM 0 HG SER A 101 2.080 26.518 -18.851 1.00 0.00 H new ATOM 1636 N PRO A 102 2.457 28.168 -15.362 1.00 0.00 N ATOM 1637 CA PRO A 102 2.070 29.594 -15.195 1.00 0.00 C ATOM 1638 C PRO A 102 3.196 30.538 -15.605 1.00 0.00 C ATOM 1639 O PRO A 102 4.356 30.323 -15.249 1.00 0.00 O ATOM 1640 CB PRO A 102 1.766 29.711 -13.688 1.00 0.00 C ATOM 1641 CG PRO A 102 2.007 28.347 -13.103 1.00 0.00 C ATOM 1642 CD PRO A 102 2.900 27.610 -14.087 1.00 0.00 C ATOM 0 HA PRO A 102 1.225 29.873 -15.824 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.409 30.455 -13.218 1.00 0.00 H new ATOM 0 HB3 PRO A 102 0.737 30.029 -13.522 1.00 0.00 H new ATOM 0 HG2 PRO A 102 2.485 28.422 -12.126 1.00 0.00 H new ATOM 0 HG3 PRO A 102 1.067 27.815 -12.958 1.00 0.00 H new ATOM 0 HD2 PRO A 102 3.957 27.800 -13.902 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.757 26.530 -14.041 1.00 0.00 H new ATOM 1650 N MET A 103 2.852 31.581 -16.358 1.00 0.00 N ATOM 1651 CA MET A 103 3.852 32.542 -16.807 1.00 0.00 C ATOM 1652 C MET A 103 4.388 33.352 -15.629 1.00 0.00 C ATOM 1653 O MET A 103 5.590 33.347 -15.360 1.00 0.00 O ATOM 1654 CB MET A 103 3.237 33.485 -17.845 1.00 0.00 C ATOM 1655 CG MET A 103 4.332 34.366 -18.457 1.00 0.00 C ATOM 1656 SD MET A 103 3.579 35.621 -19.523 1.00 0.00 S ATOM 1657 CE MET A 103 2.918 34.498 -20.780 1.00 0.00 C ATOM 0 H MET A 103 1.900 31.779 -16.666 1.00 0.00 H new ATOM 0 HA MET A 103 4.680 31.995 -17.258 1.00 0.00 H new ATOM 0 HB2 MET A 103 2.742 32.908 -18.626 1.00 0.00 H new ATOM 0 HB3 MET A 103 2.475 34.108 -17.378 1.00 0.00 H new ATOM 0 HG2 MET A 103 4.911 34.845 -17.667 1.00 0.00 H new ATOM 0 HG3 MET A 103 5.025 33.754 -19.033 1.00 0.00 H new ATOM 0 HE1 MET A 103 2.810 35.032 -21.724 1.00 0.00 H new ATOM 0 HE2 MET A 103 3.601 33.659 -20.913 1.00 0.00 H new ATOM 0 HE3 MET A 103 1.945 34.126 -20.460 1.00 0.00 H new ATOM 1667 N ARG A 104 3.491 34.044 -14.928 1.00 0.00 N ATOM 1668 CA ARG A 104 3.892 34.851 -13.779 1.00 0.00 C ATOM 1669 C ARG A 104 2.763 34.963 -12.756 1.00 0.00 C ATOM 1670 O ARG A 104 1.600 35.133 -13.122 1.00 0.00 O ATOM 1671 CB ARG A 104 4.293 36.255 -14.248 1.00 0.00 C ATOM 1672 CG ARG A 104 5.798 36.463 -14.047 1.00 0.00 C ATOM 1673 CD ARG A 104 6.136 36.444 -12.551 1.00 0.00 C ATOM 1674 NE ARG A 104 5.084 37.096 -11.773 1.00 0.00 N ATOM 1675 CZ ARG A 104 4.902 38.414 -11.814 1.00 0.00 C ATOM 1676 NH1 ARG A 104 5.666 39.162 -12.564 1.00 0.00 N ATOM 1677 NH2 ARG A 104 3.956 38.961 -11.103 1.00 0.00 N ATOM 0 H ARG A 104 2.492 34.062 -15.133 1.00 0.00 H new ATOM 0 HA ARG A 104 4.740 34.359 -13.302 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.037 36.383 -15.300 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.736 37.007 -13.690 1.00 0.00 H new ATOM 0 HG2 ARG A 104 6.354 35.680 -14.564 1.00 0.00 H new ATOM 0 HG3 ARG A 104 6.104 37.413 -14.485 1.00 0.00 H new ATOM 0 HD2 ARG A 104 6.259 35.415 -12.214 1.00 0.00 H new ATOM 0 HD3 ARG A 104 7.086 36.950 -12.382 1.00 0.00 H new ATOM 0 HE ARG A 104 4.475 36.527 -11.185 1.00 0.00 H new ATOM 0 HH11 ARG A 104 6.406 38.737 -13.122 1.00 0.00 H new ATOM 0 HH12 ARG A 104 5.522 40.171 -12.592 1.00 0.00 H new ATOM 0 HH21 ARG A 104 3.357 38.379 -10.517 1.00 0.00 H new ATOM 0 HH22 ARG A 104 3.815 39.971 -11.133 1.00 0.00 H new ATOM 1691 N CYS A 105 3.123 34.900 -11.475 1.00 0.00 N ATOM 1692 CA CYS A 105 2.143 35.031 -10.399 1.00 0.00 C ATOM 1693 C CYS A 105 2.128 36.478 -9.893 1.00 0.00 C ATOM 1694 O CYS A 105 3.108 36.940 -9.308 1.00 0.00 O ATOM 1695 CB CYS A 105 2.486 34.081 -9.247 1.00 0.00 C ATOM 1696 SG CYS A 105 1.881 32.415 -9.631 1.00 0.00 S ATOM 0 H CYS A 105 4.082 34.760 -11.158 1.00 0.00 H new ATOM 0 HA CYS A 105 1.157 34.770 -10.784 1.00 0.00 H new ATOM 0 HB2 CYS A 105 3.564 34.060 -9.089 1.00 0.00 H new ATOM 0 HB3 CYS A 105 2.035 34.438 -8.321 1.00 0.00 H new ATOM 1701 N PRO A 106 1.052 37.197 -10.110 1.00 0.00 N ATOM 1702 CA PRO A 106 0.928 38.622 -9.668 1.00 0.00 C ATOM 1703 C PRO A 106 1.006 38.794 -8.160 1.00 0.00 C ATOM 1704 O PRO A 106 0.797 39.892 -7.646 1.00 0.00 O ATOM 1705 CB PRO A 106 -0.440 39.077 -10.180 1.00 0.00 C ATOM 1706 CG PRO A 106 -0.894 38.036 -11.152 1.00 0.00 C ATOM 1707 CD PRO A 106 -0.160 36.741 -10.804 1.00 0.00 C ATOM 0 HA PRO A 106 1.756 39.211 -10.063 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -1.149 39.176 -9.358 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -0.370 40.053 -10.660 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -1.973 37.895 -11.089 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -0.672 38.341 -12.174 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -0.766 36.097 -10.167 1.00 0.00 H new ATOM 0 HD3 PRO A 106 0.084 36.167 -11.698 1.00 0.00 H new ATOM 1715 N MET A 107 1.295 37.715 -7.457 1.00 0.00 N ATOM 1716 CA MET A 107 1.381 37.768 -6.010 1.00 0.00 C ATOM 1717 C MET A 107 2.672 38.425 -5.583 1.00 0.00 C ATOM 1718 O MET A 107 3.714 37.779 -5.452 1.00 0.00 O ATOM 1719 CB MET A 107 1.352 36.365 -5.461 1.00 0.00 C ATOM 1720 CG MET A 107 -0.084 35.823 -5.435 1.00 0.00 C ATOM 1721 SD MET A 107 -1.253 37.094 -5.991 1.00 0.00 S ATOM 1722 CE MET A 107 -1.377 36.568 -7.717 1.00 0.00 C ATOM 0 H MET A 107 1.473 36.796 -7.862 1.00 0.00 H new ATOM 0 HA MET A 107 0.539 38.346 -5.630 1.00 0.00 H new ATOM 0 HB2 MET A 107 1.980 35.717 -6.072 1.00 0.00 H new ATOM 0 HB3 MET A 107 1.768 36.354 -4.454 1.00 0.00 H new ATOM 0 HG2 MET A 107 -0.159 34.945 -6.077 1.00 0.00 H new ATOM 0 HG3 MET A 107 -0.340 35.502 -4.425 1.00 0.00 H new ATOM 0 HE1 MET A 107 -1.526 37.440 -8.353 1.00 0.00 H new ATOM 0 HE2 MET A 107 -0.459 36.059 -8.009 1.00 0.00 H new ATOM 0 HE3 MET A 107 -2.221 35.888 -7.830 1.00 0.00 H new ATOM 1732 N GLY A 108 2.581 39.716 -5.365 1.00 0.00 N ATOM 1733 CA GLY A 108 3.726 40.495 -4.943 1.00 0.00 C ATOM 1734 C GLY A 108 4.714 40.688 -6.087 1.00 0.00 C ATOM 1735 O GLY A 108 5.911 40.868 -5.859 1.00 0.00 O ATOM 0 H GLY A 108 1.721 40.254 -5.473 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.393 41.467 -4.579 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.222 39.995 -4.111 1.00 0.00 H new ATOM 1739 N GLY A 109 4.204 40.654 -7.316 1.00 0.00 N ATOM 1740 CA GLY A 109 5.052 40.832 -8.492 1.00 0.00 C ATOM 1741 C GLY A 109 6.181 39.805 -8.509 1.00 0.00 C ATOM 1742 O GLY A 109 7.359 40.166 -8.510 1.00 0.00 O ATOM 0 H GLY A 109 3.216 40.506 -7.523 1.00 0.00 H new ATOM 0 HA2 GLY A 109 4.452 40.734 -9.397 1.00 0.00 H new ATOM 0 HA3 GLY A 109 5.470 41.839 -8.495 1.00 0.00 H new ATOM 1746 N SER A 110 5.812 38.526 -8.515 1.00 0.00 N ATOM 1747 CA SER A 110 6.799 37.447 -8.526 1.00 0.00 C ATOM 1748 C SER A 110 7.777 37.610 -9.689 1.00 0.00 C ATOM 1749 O SER A 110 7.537 38.392 -10.610 1.00 0.00 O ATOM 1750 CB SER A 110 6.094 36.095 -8.630 1.00 0.00 C ATOM 1751 OG SER A 110 6.956 35.081 -8.133 1.00 0.00 O ATOM 0 H SER A 110 4.842 38.212 -8.512 1.00 0.00 H new ATOM 0 HA SER A 110 7.362 37.493 -7.594 1.00 0.00 H new ATOM 0 HB2 SER A 110 5.165 36.111 -8.060 1.00 0.00 H new ATOM 0 HB3 SER A 110 5.829 35.888 -9.667 1.00 0.00 H new ATOM 0 HG SER A 110 6.669 34.210 -8.477 1.00 0.00 H new ATOM 1757 N ILE A 111 8.880 36.866 -9.638 1.00 0.00 N ATOM 1758 CA ILE A 111 9.891 36.934 -10.697 1.00 0.00 C ATOM 1759 C ILE A 111 9.714 35.770 -11.666 1.00 0.00 C ATOM 1760 O ILE A 111 9.083 35.909 -12.714 1.00 0.00 O ATOM 1761 CB ILE A 111 11.298 36.898 -10.083 1.00 0.00 C ATOM 1762 CG1 ILE A 111 11.467 38.090 -9.131 1.00 0.00 C ATOM 1763 CG2 ILE A 111 12.348 36.982 -11.197 1.00 0.00 C ATOM 1764 CD1 ILE A 111 12.794 37.965 -8.375 1.00 0.00 C ATOM 0 H ILE A 111 9.098 36.215 -8.884 1.00 0.00 H new ATOM 0 HA ILE A 111 9.767 37.869 -11.243 1.00 0.00 H new ATOM 0 HB ILE A 111 11.430 35.967 -9.532 1.00 0.00 H new ATOM 0 HG12 ILE A 111 11.445 39.023 -9.694 1.00 0.00 H new ATOM 0 HG13 ILE A 111 10.637 38.124 -8.425 1.00 0.00 H new ATOM 0 HG21 ILE A 111 13.346 36.956 -10.759 1.00 0.00 H new ATOM 0 HG22 ILE A 111 12.227 36.137 -11.875 1.00 0.00 H new ATOM 0 HG23 ILE A 111 12.218 37.912 -11.750 1.00 0.00 H new ATOM 0 HD11 ILE A 111 12.910 38.813 -7.700 1.00 0.00 H new ATOM 0 HD12 ILE A 111 12.799 37.040 -7.799 1.00 0.00 H new ATOM 0 HD13 ILE A 111 13.619 37.953 -9.087 1.00 0.00 H new ATOM 1776 N ALA A 112 10.191 34.599 -11.255 1.00 0.00 N ATOM 1777 CA ALA A 112 10.002 33.388 -12.013 1.00 0.00 C ATOM 1778 C ALA A 112 8.723 32.905 -11.527 1.00 0.00 C ATOM 1779 O ALA A 112 8.590 32.893 -10.310 1.00 0.00 O ATOM 1780 CB ALA A 112 11.073 32.343 -11.710 1.00 0.00 C ATOM 0 H ALA A 112 10.716 34.473 -10.390 1.00 0.00 H new ATOM 0 HA ALA A 112 10.051 33.567 -13.087 1.00 0.00 H new ATOM 0 HB1 ALA A 112 10.888 31.449 -12.305 1.00 0.00 H new ATOM 0 HB2 ALA A 112 12.055 32.746 -11.957 1.00 0.00 H new ATOM 0 HB3 ALA A 112 11.042 32.087 -10.651 1.00 0.00 H new ATOM 1786 N GLY A 113 7.810 32.499 -12.410 1.00 0.00 N ATOM 1787 CA GLY A 113 6.523 32.032 -11.940 1.00 0.00 C ATOM 1788 C GLY A 113 6.458 32.277 -10.453 1.00 0.00 C ATOM 1789 O GLY A 113 6.510 33.430 -10.009 1.00 0.00 O ATOM 0 H GLY A 113 7.938 32.486 -13.422 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.716 32.559 -12.449 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.399 30.971 -12.158 1.00 0.00 H new ATOM 1793 N PHE A 114 6.349 31.245 -9.689 1.00 0.00 N ATOM 1794 CA PHE A 114 6.346 31.427 -8.246 1.00 0.00 C ATOM 1795 C PHE A 114 7.741 31.820 -7.760 1.00 0.00 C ATOM 1796 O PHE A 114 7.837 32.765 -6.995 1.00 0.00 O ATOM 1797 CB PHE A 114 5.850 30.173 -7.521 1.00 0.00 C ATOM 1798 CG PHE A 114 4.393 29.937 -7.846 1.00 0.00 C ATOM 1799 CD1 PHE A 114 3.395 30.567 -7.091 1.00 0.00 C ATOM 1800 CD2 PHE A 114 4.039 29.086 -8.900 1.00 0.00 C ATOM 1801 CE1 PHE A 114 2.046 30.346 -7.391 1.00 0.00 C ATOM 1802 CE2 PHE A 114 2.690 28.864 -9.200 1.00 0.00 C ATOM 1803 CZ PHE A 114 1.693 29.495 -8.445 1.00 0.00 C ATOM 1804 OXT PHE A 114 8.691 31.167 -8.158 1.00 0.00 O ATOM 0 H PHE A 114 6.262 30.281 -10.011 1.00 0.00 H new ATOM 0 HA PHE A 114 5.652 32.234 -8.010 1.00 0.00 H new ATOM 0 HB2 PHE A 114 6.444 29.309 -7.821 1.00 0.00 H new ATOM 0 HB3 PHE A 114 5.978 30.289 -6.445 1.00 0.00 H new ATOM 0 HD1 PHE A 114 3.667 31.223 -6.277 1.00 0.00 H new ATOM 0 HD2 PHE A 114 4.808 28.600 -9.482 1.00 0.00 H new ATOM 0 HE1 PHE A 114 1.277 30.832 -6.809 1.00 0.00 H new ATOM 0 HE2 PHE A 114 2.418 28.207 -10.013 1.00 0.00 H new ATOM 0 HZ PHE A 114 0.652 29.325 -8.676 1.00 0.00 H new TER 1814 PHE A 114