USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 885 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 58 SER OG : rot -72:sc= 0.382 USER MOD Set 1.2: A 162 THR OG1 : rot -162:sc= -0.0765 USER MOD Set 2.1: A 59 HIS : no HD1:sc= -8.31! C(o=-20!,f=-20!) USER MOD Set 2.2: A 115 SER OG : rot -158:sc= 0.294 USER MOD Set 2.3: A 131 GLN : amide:sc= -2.34 K(o=-20,f=-22!) USER MOD Set 2.4: A 152 THR OG1 : rot 100:sc= 0 USER MOD Set 2.5: A 154 SER OG : rot 89:sc= 1.05 USER MOD Set 2.6: A 157 HIS : no HE2:sc= -10.8! C(o=-20!,f=-28!) USER MOD Set 3.1: A 63 LYS NZ :NH3+ 151:sc= -0.0496 (180deg=-0.495) USER MOD Set 3.2: A 72 SER OG : rot 35:sc= 0.0446 USER MOD Set 4.1: A 57 CYS SG : rot 5:sc= 0.498 USER MOD Set 4.2: A 138 SER OG : rot -71:sc= -1.22! USER MOD Single : A 64 HIS : no HD1:sc= -1.73 K(o=-1.7,f=-3.6!) USER MOD Single : A 65 SER OG : rot 150:sc= -0.104 USER MOD Single : A 66 GLN : amide:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 67 SER OG : rot 127:sc= 1.13 USER MOD Single : A 71 SER OG : rot -150:sc= -1.14 USER MOD Single : A 75 GLN : amide:sc= -0.842 K(o=-0.84,f=-0.13) USER MOD Single : A 77 LYS NZ :NH3+ -170:sc= 1.09 (180deg=0.99) USER MOD Single : A 79 THR OG1 : rot -44:sc= 0.806 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 92 TYR OH : rot -46:sc= -0.631 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -144:sc= -0.0534 (180deg=-0.283) USER MOD Single : A 98 SER OG : rot -47:sc= -0.179 USER MOD Single : A 105 SER OG : rot -152:sc= 0.931 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.84 K(o=-0.84,f=-1.9!) USER MOD Single : A 111 SER OG : rot 180:sc= -0.707 USER MOD Single : A 113 CYS SG : rot 180:sc= -1.05! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 180:sc= -1.08 USER MOD Single : A 129 GLN : amide:sc= -0.684 K(o=-0.68,f=-1.4!) USER MOD Single : A 130 MET CE :methyl 170:sc= -1.07 (180deg=-1.42) USER MOD Single : A 132 LYS NZ :NH3+ -163:sc= -0.257 (180deg=-0.779) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 MET CE :methyl -104:sc= -7.06! (180deg=-10.9!) USER MOD Single : A 147 SER OG : rot 149:sc= -0.514 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 50 33.582 6.061 9.798 1.00 0.00 N ATOM 2 CA GLY A 50 33.111 5.087 8.776 1.00 0.00 C ATOM 3 C GLY A 50 34.239 4.246 8.212 1.00 0.00 C ATOM 4 O GLY A 50 35.313 4.762 7.905 1.00 0.00 O ATOM 0 HA2 GLY A 50 32.362 4.432 9.221 1.00 0.00 H new ATOM 0 HA3 GLY A 50 32.622 5.625 7.964 1.00 0.00 H new ATOM 10 N GLU A 51 33.996 2.946 8.076 1.00 0.00 N ATOM 11 CA GLU A 51 35.000 2.031 7.545 1.00 0.00 C ATOM 12 C GLU A 51 34.349 0.927 6.715 1.00 0.00 C ATOM 13 O GLU A 51 33.943 -0.103 7.252 1.00 0.00 O ATOM 14 CB GLU A 51 35.810 1.414 8.686 1.00 0.00 C ATOM 15 CG GLU A 51 36.868 2.347 9.255 1.00 0.00 C ATOM 16 CD GLU A 51 36.728 2.549 10.751 1.00 0.00 C ATOM 17 OE1 GLU A 51 35.699 3.116 11.178 1.00 0.00 O ATOM 18 OE2 GLU A 51 37.645 2.143 11.494 1.00 0.00 O ATOM 0 H GLU A 51 33.112 2.503 8.326 1.00 0.00 H new ATOM 0 HA GLU A 51 35.668 2.601 6.898 1.00 0.00 H new ATOM 0 HB2 GLU A 51 35.130 1.119 9.485 1.00 0.00 H new ATOM 0 HB3 GLU A 51 36.294 0.505 8.327 1.00 0.00 H new ATOM 0 HG2 GLU A 51 37.857 1.943 9.038 1.00 0.00 H new ATOM 0 HG3 GLU A 51 36.802 3.313 8.754 1.00 0.00 H new ATOM 25 N PRO A 52 34.240 1.127 5.389 1.00 0.00 N ATOM 26 CA PRO A 52 33.633 0.138 4.490 1.00 0.00 C ATOM 27 C PRO A 52 34.475 -1.128 4.373 1.00 0.00 C ATOM 28 O PRO A 52 35.478 -1.286 5.068 1.00 0.00 O ATOM 29 CB PRO A 52 33.566 0.866 3.146 1.00 0.00 C ATOM 30 CG PRO A 52 34.634 1.901 3.222 1.00 0.00 C ATOM 31 CD PRO A 52 34.697 2.326 4.662 1.00 0.00 C ATOM 0 HA PRO A 52 32.661 -0.199 4.851 1.00 0.00 H new ATOM 0 HB2 PRO A 52 33.737 0.181 2.316 1.00 0.00 H new ATOM 0 HB3 PRO A 52 32.587 1.318 2.989 1.00 0.00 H new ATOM 0 HG2 PRO A 52 35.592 1.499 2.892 1.00 0.00 H new ATOM 0 HG3 PRO A 52 34.404 2.747 2.575 1.00 0.00 H new ATOM 0 HD2 PRO A 52 35.708 2.612 4.953 1.00 0.00 H new ATOM 0 HD3 PRO A 52 34.054 3.184 4.857 1.00 0.00 H new ATOM 39 N ALA A 53 34.056 -2.030 3.490 1.00 0.00 N ATOM 40 CA ALA A 53 34.769 -3.286 3.283 1.00 0.00 C ATOM 41 C ALA A 53 35.918 -3.128 2.287 1.00 0.00 C ATOM 42 O ALA A 53 36.766 -4.012 2.164 1.00 0.00 O ATOM 43 CB ALA A 53 33.807 -4.363 2.809 1.00 0.00 C ATOM 0 H ALA A 53 33.227 -1.914 2.907 1.00 0.00 H new ATOM 0 HA ALA A 53 35.200 -3.583 4.239 1.00 0.00 H new ATOM 0 HB1 ALA A 53 34.351 -5.296 2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 53 33.031 -4.513 3.559 1.00 0.00 H new ATOM 0 HB3 ALA A 53 33.349 -4.054 1.869 1.00 0.00 H new ATOM 49 N ARG A 54 35.943 -2.004 1.575 1.00 0.00 N ATOM 50 CA ARG A 54 36.992 -1.751 0.591 1.00 0.00 C ATOM 51 C ARG A 54 37.131 -0.251 0.318 1.00 0.00 C ATOM 52 O ARG A 54 36.145 0.487 0.346 1.00 0.00 O ATOM 53 CB ARG A 54 36.682 -2.515 -0.706 1.00 0.00 C ATOM 54 CG ARG A 54 37.209 -1.855 -1.975 1.00 0.00 C ATOM 55 CD ARG A 54 37.606 -2.890 -3.016 1.00 0.00 C ATOM 56 NE ARG A 54 36.448 -3.618 -3.534 1.00 0.00 N ATOM 57 CZ ARG A 54 35.641 -3.149 -4.483 1.00 0.00 C ATOM 58 NH1 ARG A 54 35.860 -1.955 -5.020 1.00 0.00 N ATOM 59 NH2 ARG A 54 34.612 -3.876 -4.897 1.00 0.00 N ATOM 0 H ARG A 54 35.253 -1.258 1.660 1.00 0.00 H new ATOM 0 HA ARG A 54 37.942 -2.106 0.990 1.00 0.00 H new ATOM 0 HB2 ARG A 54 37.105 -3.517 -0.631 1.00 0.00 H new ATOM 0 HB3 ARG A 54 35.602 -2.630 -0.794 1.00 0.00 H new ATOM 0 HG2 ARG A 54 36.445 -1.196 -2.388 1.00 0.00 H new ATOM 0 HG3 ARG A 54 38.070 -1.232 -1.732 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.122 -2.396 -3.840 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.310 -3.596 -2.576 1.00 0.00 H new ATOM 0 HE ARG A 54 36.247 -4.539 -3.145 1.00 0.00 H new ATOM 0 HH11 ARG A 54 36.650 -1.392 -4.706 1.00 0.00 H new ATOM 0 HH12 ARG A 54 35.238 -1.601 -5.747 1.00 0.00 H new ATOM 0 HH21 ARG A 54 34.439 -4.794 -4.488 1.00 0.00 H new ATOM 0 HH22 ARG A 54 33.993 -3.517 -5.624 1.00 0.00 H new ATOM 73 N VAL A 55 38.358 0.189 0.051 1.00 0.00 N ATOM 74 CA VAL A 55 38.621 1.598 -0.230 1.00 0.00 C ATOM 75 C VAL A 55 39.838 1.766 -1.135 1.00 0.00 C ATOM 76 O VAL A 55 40.636 0.843 -1.294 1.00 0.00 O ATOM 77 CB VAL A 55 38.856 2.398 1.065 1.00 0.00 C ATOM 78 CG1 VAL A 55 37.572 2.500 1.873 1.00 0.00 C ATOM 79 CG2 VAL A 55 39.965 1.765 1.890 1.00 0.00 C ATOM 0 H VAL A 55 39.184 -0.408 0.023 1.00 0.00 H new ATOM 0 HA VAL A 55 37.736 1.983 -0.736 1.00 0.00 H new ATOM 0 HB VAL A 55 39.167 3.407 0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 55 37.759 3.069 2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 55 36.809 3.004 1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 55 37.226 1.500 2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 55 40.117 2.344 2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 55 39.687 0.744 2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 55 40.888 1.752 1.310 1.00 0.00 H new ATOM 89 N ARG A 56 39.978 2.954 -1.717 1.00 0.00 N ATOM 90 CA ARG A 56 41.102 3.250 -2.600 1.00 0.00 C ATOM 91 C ARG A 56 42.176 4.026 -1.848 1.00 0.00 C ATOM 92 O ARG A 56 41.873 4.973 -1.121 1.00 0.00 O ATOM 93 CB ARG A 56 40.630 4.048 -3.817 1.00 0.00 C ATOM 94 CG ARG A 56 41.664 4.130 -4.927 1.00 0.00 C ATOM 95 CD ARG A 56 41.024 3.998 -6.300 1.00 0.00 C ATOM 96 NE ARG A 56 39.826 4.827 -6.429 1.00 0.00 N ATOM 97 CZ ARG A 56 39.851 6.154 -6.530 1.00 0.00 C ATOM 98 NH1 ARG A 56 41.006 6.808 -6.510 1.00 0.00 N ATOM 99 NH2 ARG A 56 38.716 6.830 -6.648 1.00 0.00 N ATOM 0 H ARG A 56 39.326 3.728 -1.593 1.00 0.00 H new ATOM 0 HA ARG A 56 41.527 2.307 -2.945 1.00 0.00 H new ATOM 0 HB2 ARG A 56 39.722 3.592 -4.211 1.00 0.00 H new ATOM 0 HB3 ARG A 56 40.368 5.058 -3.500 1.00 0.00 H new ATOM 0 HG2 ARG A 56 42.194 5.080 -4.862 1.00 0.00 H new ATOM 0 HG3 ARG A 56 42.405 3.342 -4.793 1.00 0.00 H new ATOM 0 HD2 ARG A 56 41.746 4.283 -7.065 1.00 0.00 H new ATOM 0 HD3 ARG A 56 40.764 2.955 -6.480 1.00 0.00 H new ATOM 0 HE ARG A 56 38.919 4.361 -6.442 1.00 0.00 H new ATOM 0 HH11 ARG A 56 41.882 6.294 -6.417 1.00 0.00 H new ATOM 0 HH12 ARG A 56 41.018 7.825 -6.588 1.00 0.00 H new ATOM 0 HH21 ARG A 56 37.825 6.333 -6.661 1.00 0.00 H new ATOM 0 HH22 ARG A 56 38.734 7.847 -6.725 1.00 0.00 H new ATOM 113 N CYS A 57 43.430 3.618 -2.018 1.00 0.00 N ATOM 114 CA CYS A 57 44.538 4.277 -1.339 1.00 0.00 C ATOM 115 C CYS A 57 45.825 4.200 -2.155 1.00 0.00 C ATOM 116 O CYS A 57 46.015 3.286 -2.959 1.00 0.00 O ATOM 117 CB CYS A 57 44.763 3.636 0.031 1.00 0.00 C ATOM 118 SG CYS A 57 43.404 3.897 1.195 1.00 0.00 S ATOM 0 H CYS A 57 43.702 2.839 -2.617 1.00 0.00 H new ATOM 0 HA CYS A 57 44.276 5.328 -1.219 1.00 0.00 H new ATOM 0 HB2 CYS A 57 44.915 2.565 -0.101 1.00 0.00 H new ATOM 0 HB3 CYS A 57 45.680 4.037 0.463 1.00 0.00 H new ATOM 0 HG CYS A 57 42.429 4.512 0.593 1.00 0.00 H new ATOM 124 N SER A 58 46.712 5.163 -1.925 1.00 0.00 N ATOM 125 CA SER A 58 47.996 5.217 -2.610 1.00 0.00 C ATOM 126 C SER A 58 49.122 5.074 -1.594 1.00 0.00 C ATOM 127 O SER A 58 48.968 5.484 -0.446 1.00 0.00 O ATOM 128 CB SER A 58 48.138 6.542 -3.367 1.00 0.00 C ATOM 129 OG SER A 58 46.916 7.259 -3.376 1.00 0.00 O ATOM 0 H SER A 58 46.561 5.923 -1.262 1.00 0.00 H new ATOM 0 HA SER A 58 48.052 4.399 -3.328 1.00 0.00 H new ATOM 0 HB2 SER A 58 48.915 7.148 -2.902 1.00 0.00 H new ATOM 0 HB3 SER A 58 48.456 6.347 -4.391 1.00 0.00 H new ATOM 0 HG SER A 58 46.278 6.811 -3.971 1.00 0.00 H new ATOM 135 N HIS A 59 50.246 4.492 -1.999 1.00 0.00 N ATOM 136 CA HIS A 59 51.359 4.317 -1.073 1.00 0.00 C ATOM 137 C HIS A 59 52.715 4.387 -1.777 1.00 0.00 C ATOM 138 O HIS A 59 52.822 4.153 -2.980 1.00 0.00 O ATOM 139 CB HIS A 59 51.216 2.990 -0.314 1.00 0.00 C ATOM 140 CG HIS A 59 51.861 1.819 -0.998 1.00 0.00 C ATOM 141 ND1 HIS A 59 53.027 1.235 -0.549 1.00 0.00 N ATOM 142 CD2 HIS A 59 51.495 1.123 -2.100 1.00 0.00 C ATOM 143 CE1 HIS A 59 53.351 0.231 -1.345 1.00 0.00 C ATOM 144 NE2 HIS A 59 52.438 0.143 -2.294 1.00 0.00 N ATOM 0 H HIS A 59 50.409 4.140 -2.942 1.00 0.00 H new ATOM 0 HA HIS A 59 51.323 5.143 -0.363 1.00 0.00 H new ATOM 0 HB2 HIS A 59 51.652 3.103 0.678 1.00 0.00 H new ATOM 0 HB3 HIS A 59 50.156 2.777 -0.174 1.00 0.00 H new ATOM 0 HD2 HIS A 59 50.624 1.304 -2.712 1.00 0.00 H new ATOM 0 HE1 HIS A 59 54.215 -0.408 -1.237 1.00 0.00 H new ATOM 0 HE2 HIS A 59 52.433 -0.542 -3.050 1.00 0.00 H new ATOM 153 N LEU A 60 53.748 4.703 -0.998 1.00 0.00 N ATOM 154 CA LEU A 60 55.112 4.798 -1.511 1.00 0.00 C ATOM 155 C LEU A 60 56.022 3.834 -0.755 1.00 0.00 C ATOM 156 O LEU A 60 56.267 4.012 0.438 1.00 0.00 O ATOM 157 CB LEU A 60 55.637 6.227 -1.359 1.00 0.00 C ATOM 158 CG LEU A 60 56.726 6.625 -2.354 1.00 0.00 C ATOM 159 CD1 LEU A 60 56.879 8.137 -2.399 1.00 0.00 C ATOM 160 CD2 LEU A 60 58.045 5.965 -1.989 1.00 0.00 C ATOM 0 H LEU A 60 53.664 4.899 -0.001 1.00 0.00 H new ATOM 0 HA LEU A 60 55.106 4.533 -2.568 1.00 0.00 H new ATOM 0 HB2 LEU A 60 54.801 6.918 -1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 60 56.027 6.349 -0.349 1.00 0.00 H new ATOM 0 HG LEU A 60 56.432 6.280 -3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 60 57.659 8.403 -3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 60 55.936 8.589 -2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 60 57.152 8.505 -1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 60 58.810 6.259 -2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 60 58.345 6.280 -0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 60 57.927 4.882 -2.007 1.00 0.00 H new ATOM 172 N LEU A 61 56.514 2.809 -1.446 1.00 0.00 N ATOM 173 CA LEU A 61 57.385 1.822 -0.816 1.00 0.00 C ATOM 174 C LEU A 61 58.854 2.209 -0.965 1.00 0.00 C ATOM 175 O LEU A 61 59.326 2.506 -2.062 1.00 0.00 O ATOM 176 CB LEU A 61 57.140 0.433 -1.419 1.00 0.00 C ATOM 177 CG LEU A 61 58.275 -0.590 -1.239 1.00 0.00 C ATOM 178 CD1 LEU A 61 58.850 -0.528 0.169 1.00 0.00 C ATOM 179 CD2 LEU A 61 57.780 -1.996 -1.551 1.00 0.00 C ATOM 0 H LEU A 61 56.326 2.641 -2.434 1.00 0.00 H new ATOM 0 HA LEU A 61 57.148 1.794 0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 61 56.233 0.021 -0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 61 56.949 0.550 -2.486 1.00 0.00 H new ATOM 0 HG LEU A 61 59.071 -0.337 -1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 61 59.650 -1.262 0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 61 59.247 0.470 0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 61 58.065 -0.748 0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 61 58.596 -2.707 -1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 61 56.963 -2.252 -0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 61 57.427 -2.037 -2.581 1.00 0.00 H new ATOM 191 N VAL A 62 59.573 2.183 0.151 1.00 0.00 N ATOM 192 CA VAL A 62 60.989 2.507 0.162 1.00 0.00 C ATOM 193 C VAL A 62 61.741 1.536 1.066 1.00 0.00 C ATOM 194 O VAL A 62 61.956 1.810 2.248 1.00 0.00 O ATOM 195 CB VAL A 62 61.243 3.948 0.645 1.00 0.00 C ATOM 196 CG1 VAL A 62 62.720 4.300 0.550 1.00 0.00 C ATOM 197 CG2 VAL A 62 60.404 4.927 -0.158 1.00 0.00 C ATOM 0 H VAL A 62 59.192 1.939 1.065 1.00 0.00 H new ATOM 0 HA VAL A 62 61.350 2.421 -0.863 1.00 0.00 H new ATOM 0 HB VAL A 62 60.949 4.017 1.692 1.00 0.00 H new ATOM 0 HG11 VAL A 62 62.873 5.322 0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 62 63.298 3.616 1.171 1.00 0.00 H new ATOM 0 HG13 VAL A 62 63.048 4.215 -0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 62 60.593 5.941 0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 62 60.669 4.853 -1.213 1.00 0.00 H new ATOM 0 HG23 VAL A 62 59.348 4.690 -0.031 1.00 0.00 H new ATOM 207 N LYS A 63 62.125 0.393 0.508 1.00 0.00 N ATOM 208 CA LYS A 63 62.844 -0.625 1.274 1.00 0.00 C ATOM 209 C LYS A 63 64.154 -0.072 1.810 1.00 0.00 C ATOM 210 O LYS A 63 64.595 1.008 1.416 1.00 0.00 O ATOM 211 CB LYS A 63 63.114 -1.890 0.438 1.00 0.00 C ATOM 212 CG LYS A 63 62.704 -1.790 -1.024 1.00 0.00 C ATOM 213 CD LYS A 63 63.027 -3.069 -1.778 1.00 0.00 C ATOM 214 CE LYS A 63 62.281 -4.261 -1.200 1.00 0.00 C ATOM 215 NZ LYS A 63 60.823 -3.990 -1.061 1.00 0.00 N ATOM 0 H LYS A 63 61.953 0.147 -0.467 1.00 0.00 H new ATOM 0 HA LYS A 63 62.204 -0.905 2.111 1.00 0.00 H new ATOM 0 HB2 LYS A 63 64.178 -2.120 0.487 1.00 0.00 H new ATOM 0 HB3 LYS A 63 62.585 -2.728 0.892 1.00 0.00 H new ATOM 0 HG2 LYS A 63 61.635 -1.586 -1.091 1.00 0.00 H new ATOM 0 HG3 LYS A 63 63.218 -0.950 -1.491 1.00 0.00 H new ATOM 0 HD2 LYS A 63 62.764 -2.949 -2.829 1.00 0.00 H new ATOM 0 HD3 LYS A 63 64.100 -3.255 -1.737 1.00 0.00 H new ATOM 0 HE2 LYS A 63 62.429 -5.129 -1.843 1.00 0.00 H new ATOM 0 HE3 LYS A 63 62.698 -4.512 -0.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 60.294 -4.881 -1.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 60.636 -3.566 -0.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 60.519 -3.333 -1.808 1.00 0.00 H new ATOM 229 N HIS A 64 64.765 -0.816 2.721 1.00 0.00 N ATOM 230 CA HIS A 64 66.019 -0.398 3.322 1.00 0.00 C ATOM 231 C HIS A 64 66.993 -1.570 3.441 1.00 0.00 C ATOM 232 O HIS A 64 66.656 -2.707 3.110 1.00 0.00 O ATOM 233 CB HIS A 64 65.756 0.225 4.694 1.00 0.00 C ATOM 234 CG HIS A 64 64.825 -0.571 5.556 1.00 0.00 C ATOM 235 ND1 HIS A 64 65.259 -1.327 6.621 1.00 0.00 N ATOM 236 CD2 HIS A 64 63.479 -0.721 5.512 1.00 0.00 C ATOM 237 CE1 HIS A 64 64.223 -1.913 7.197 1.00 0.00 C ATOM 238 NE2 HIS A 64 63.132 -1.561 6.543 1.00 0.00 N ATOM 0 H HIS A 64 64.411 -1.711 3.059 1.00 0.00 H new ATOM 0 HA HIS A 64 66.479 0.349 2.675 1.00 0.00 H new ATOM 0 HB2 HIS A 64 66.706 0.344 5.216 1.00 0.00 H new ATOM 0 HB3 HIS A 64 65.342 1.224 4.555 1.00 0.00 H new ATOM 0 HD2 HIS A 64 62.806 -0.266 4.801 1.00 0.00 H new ATOM 0 HE1 HIS A 64 64.263 -2.567 8.055 1.00 0.00 H new ATOM 0 HE2 HIS A 64 62.184 -1.864 6.767 1.00 0.00 H new ATOM 247 N SER A 65 68.206 -1.278 3.901 1.00 0.00 N ATOM 248 CA SER A 65 69.242 -2.298 4.049 1.00 0.00 C ATOM 249 C SER A 65 68.846 -3.364 5.068 1.00 0.00 C ATOM 250 O SER A 65 69.260 -4.520 4.957 1.00 0.00 O ATOM 251 CB SER A 65 70.562 -1.648 4.465 1.00 0.00 C ATOM 252 OG SER A 65 70.593 -1.399 5.860 1.00 0.00 O ATOM 0 H SER A 65 68.497 -0.341 4.179 1.00 0.00 H new ATOM 0 HA SER A 65 69.363 -2.788 3.083 1.00 0.00 H new ATOM 0 HB2 SER A 65 71.393 -2.298 4.190 1.00 0.00 H new ATOM 0 HB3 SER A 65 70.696 -0.712 3.923 1.00 0.00 H new ATOM 0 HG SER A 65 71.517 -1.451 6.181 1.00 0.00 H new ATOM 258 N GLN A 66 68.058 -2.976 6.063 1.00 0.00 N ATOM 259 CA GLN A 66 67.627 -3.910 7.099 1.00 0.00 C ATOM 260 C GLN A 66 66.273 -4.536 6.769 1.00 0.00 C ATOM 261 O GLN A 66 65.679 -5.219 7.604 1.00 0.00 O ATOM 262 CB GLN A 66 67.555 -3.207 8.457 1.00 0.00 C ATOM 263 CG GLN A 66 68.913 -2.794 8.999 1.00 0.00 C ATOM 264 CD GLN A 66 68.806 -1.845 10.177 1.00 0.00 C ATOM 265 OE1 GLN A 66 69.525 -0.849 10.253 1.00 0.00 O ATOM 266 NE2 GLN A 66 67.904 -2.150 11.103 1.00 0.00 N ATOM 0 H GLN A 66 67.705 -2.026 6.176 1.00 0.00 H new ATOM 0 HA GLN A 66 68.367 -4.709 7.144 1.00 0.00 H new ATOM 0 HB2 GLN A 66 66.925 -2.322 8.366 1.00 0.00 H new ATOM 0 HB3 GLN A 66 67.072 -3.870 9.175 1.00 0.00 H new ATOM 0 HG2 GLN A 66 69.465 -3.684 9.303 1.00 0.00 H new ATOM 0 HG3 GLN A 66 69.488 -2.318 8.205 1.00 0.00 H new ATOM 0 HE21 GLN A 66 67.329 -2.986 10.999 1.00 0.00 H new ATOM 0 HE22 GLN A 66 67.786 -1.548 11.918 1.00 0.00 H new ATOM 275 N SER A 67 65.791 -4.313 5.549 1.00 0.00 N ATOM 276 CA SER A 67 64.511 -4.871 5.126 1.00 0.00 C ATOM 277 C SER A 67 64.599 -6.389 5.018 1.00 0.00 C ATOM 278 O SER A 67 65.675 -6.941 4.788 1.00 0.00 O ATOM 279 CB SER A 67 64.087 -4.275 3.782 1.00 0.00 C ATOM 280 OG SER A 67 63.090 -5.069 3.162 1.00 0.00 O ATOM 0 H SER A 67 66.265 -3.753 4.840 1.00 0.00 H new ATOM 0 HA SER A 67 63.762 -4.616 5.876 1.00 0.00 H new ATOM 0 HB2 SER A 67 63.709 -3.264 3.932 1.00 0.00 H new ATOM 0 HB3 SER A 67 64.954 -4.197 3.126 1.00 0.00 H new ATOM 0 HG SER A 67 62.324 -4.506 2.924 1.00 0.00 H new ATOM 286 N ARG A 68 63.464 -7.063 5.178 1.00 0.00 N ATOM 287 CA ARG A 68 63.428 -8.519 5.091 1.00 0.00 C ATOM 288 C ARG A 68 63.961 -8.990 3.740 1.00 0.00 C ATOM 289 O ARG A 68 64.501 -10.091 3.621 1.00 0.00 O ATOM 290 CB ARG A 68 62.001 -9.036 5.308 1.00 0.00 C ATOM 291 CG ARG A 68 61.065 -8.769 4.139 1.00 0.00 C ATOM 292 CD ARG A 68 61.029 -9.946 3.176 1.00 0.00 C ATOM 293 NE ARG A 68 59.908 -9.858 2.243 1.00 0.00 N ATOM 294 CZ ARG A 68 58.825 -10.634 2.297 1.00 0.00 C ATOM 295 NH1 ARG A 68 58.698 -11.554 3.249 1.00 0.00 N ATOM 296 NH2 ARG A 68 57.863 -10.490 1.398 1.00 0.00 N ATOM 0 H ARG A 68 62.562 -6.627 5.368 1.00 0.00 H new ATOM 0 HA ARG A 68 64.067 -8.923 5.876 1.00 0.00 H new ATOM 0 HB2 ARG A 68 62.038 -10.109 5.493 1.00 0.00 H new ATOM 0 HB3 ARG A 68 61.589 -8.572 6.204 1.00 0.00 H new ATOM 0 HG2 ARG A 68 60.060 -8.572 4.513 1.00 0.00 H new ATOM 0 HG3 ARG A 68 61.389 -7.873 3.609 1.00 0.00 H new ATOM 0 HD2 ARG A 68 61.964 -9.985 2.617 1.00 0.00 H new ATOM 0 HD3 ARG A 68 60.957 -10.875 3.742 1.00 0.00 H new ATOM 0 HE ARG A 68 59.957 -9.158 1.503 1.00 0.00 H new ATOM 0 HH11 ARG A 68 59.433 -11.671 3.947 1.00 0.00 H new ATOM 0 HH12 ARG A 68 57.866 -12.143 3.282 1.00 0.00 H new ATOM 0 HH21 ARG A 68 57.951 -9.786 0.665 1.00 0.00 H new ATOM 0 HH22 ARG A 68 57.034 -11.083 1.438 1.00 0.00 H new ATOM 310 N ARG A 69 63.814 -8.140 2.728 1.00 0.00 N ATOM 311 CA ARG A 69 64.285 -8.453 1.386 1.00 0.00 C ATOM 312 C ARG A 69 64.621 -7.171 0.627 1.00 0.00 C ATOM 313 O ARG A 69 63.774 -6.611 -0.067 1.00 0.00 O ATOM 314 CB ARG A 69 63.228 -9.257 0.621 1.00 0.00 C ATOM 315 CG ARG A 69 63.544 -9.440 -0.855 1.00 0.00 C ATOM 316 CD ARG A 69 63.442 -10.899 -1.275 1.00 0.00 C ATOM 317 NE ARG A 69 62.068 -11.388 -1.222 1.00 0.00 N ATOM 318 CZ ARG A 69 61.113 -11.014 -2.073 1.00 0.00 C ATOM 319 NH1 ARG A 69 61.380 -10.141 -3.038 1.00 0.00 N ATOM 320 NH2 ARG A 69 59.890 -11.511 -1.957 1.00 0.00 N ATOM 0 H ARG A 69 63.370 -7.226 2.814 1.00 0.00 H new ATOM 0 HA ARG A 69 65.189 -9.057 1.471 1.00 0.00 H new ATOM 0 HB2 ARG A 69 63.125 -10.238 1.085 1.00 0.00 H new ATOM 0 HB3 ARG A 69 62.265 -8.756 0.717 1.00 0.00 H new ATOM 0 HG2 ARG A 69 62.856 -8.841 -1.452 1.00 0.00 H new ATOM 0 HG3 ARG A 69 64.549 -9.071 -1.061 1.00 0.00 H new ATOM 0 HD2 ARG A 69 63.829 -11.013 -2.288 1.00 0.00 H new ATOM 0 HD3 ARG A 69 64.069 -11.508 -0.624 1.00 0.00 H new ATOM 0 HE ARG A 69 61.824 -12.056 -0.490 1.00 0.00 H new ATOM 0 HH11 ARG A 69 62.319 -9.754 -3.130 1.00 0.00 H new ATOM 0 HH12 ARG A 69 60.646 -9.858 -3.687 1.00 0.00 H new ATOM 0 HH21 ARG A 69 59.679 -12.180 -1.216 1.00 0.00 H new ATOM 0 HH22 ARG A 69 59.159 -11.225 -2.608 1.00 0.00 H new ATOM 334 N PRO A 70 65.871 -6.692 0.750 1.00 0.00 N ATOM 335 CA PRO A 70 66.316 -5.471 0.072 1.00 0.00 C ATOM 336 C PRO A 70 66.404 -5.650 -1.439 1.00 0.00 C ATOM 337 O PRO A 70 67.483 -5.560 -2.025 1.00 0.00 O ATOM 338 CB PRO A 70 67.705 -5.215 0.664 1.00 0.00 C ATOM 339 CG PRO A 70 68.174 -6.550 1.131 1.00 0.00 C ATOM 340 CD PRO A 70 66.943 -7.301 1.558 1.00 0.00 C ATOM 0 HA PRO A 70 65.620 -4.646 0.222 1.00 0.00 H new ATOM 0 HB2 PRO A 70 68.381 -4.797 -0.082 1.00 0.00 H new ATOM 0 HB3 PRO A 70 67.658 -4.502 1.487 1.00 0.00 H new ATOM 0 HG2 PRO A 70 68.696 -7.080 0.334 1.00 0.00 H new ATOM 0 HG3 PRO A 70 68.875 -6.448 1.959 1.00 0.00 H new ATOM 0 HD2 PRO A 70 67.036 -8.369 1.362 1.00 0.00 H new ATOM 0 HD3 PRO A 70 66.754 -7.188 2.626 1.00 0.00 H new ATOM 348 N SER A 71 65.262 -5.907 -2.065 1.00 0.00 N ATOM 349 CA SER A 71 65.212 -6.099 -3.508 1.00 0.00 C ATOM 350 C SER A 71 63.772 -6.099 -4.011 1.00 0.00 C ATOM 351 O SER A 71 62.881 -6.671 -3.384 1.00 0.00 O ATOM 352 CB SER A 71 65.901 -7.411 -3.889 1.00 0.00 C ATOM 353 OG SER A 71 65.514 -7.834 -5.186 1.00 0.00 O ATOM 0 H SER A 71 64.360 -5.987 -1.596 1.00 0.00 H new ATOM 0 HA SER A 71 65.738 -5.269 -3.979 1.00 0.00 H new ATOM 0 HB2 SER A 71 66.983 -7.281 -3.853 1.00 0.00 H new ATOM 0 HB3 SER A 71 65.649 -8.182 -3.161 1.00 0.00 H new ATOM 0 HG SER A 71 65.545 -8.812 -5.234 1.00 0.00 H new ATOM 359 N SER A 72 63.558 -5.455 -5.152 1.00 0.00 N ATOM 360 CA SER A 72 62.234 -5.373 -5.753 1.00 0.00 C ATOM 361 C SER A 72 62.343 -5.238 -7.268 1.00 0.00 C ATOM 362 O SER A 72 63.441 -5.209 -7.822 1.00 0.00 O ATOM 363 CB SER A 72 61.456 -4.189 -5.176 1.00 0.00 C ATOM 364 OG SER A 72 60.619 -4.600 -4.110 1.00 0.00 O ATOM 0 H SER A 72 64.289 -4.980 -5.681 1.00 0.00 H new ATOM 0 HA SER A 72 61.696 -6.292 -5.521 1.00 0.00 H new ATOM 0 HB2 SER A 72 62.153 -3.429 -4.823 1.00 0.00 H new ATOM 0 HB3 SER A 72 60.853 -3.729 -5.959 1.00 0.00 H new ATOM 0 HG SER A 72 61.056 -5.320 -3.610 1.00 0.00 H new ATOM 370 N TRP A 73 61.200 -5.153 -7.940 1.00 0.00 N ATOM 371 CA TRP A 73 61.184 -5.019 -9.391 1.00 0.00 C ATOM 372 C TRP A 73 62.007 -3.809 -9.843 1.00 0.00 C ATOM 373 O TRP A 73 62.392 -3.710 -11.008 1.00 0.00 O ATOM 374 CB TRP A 73 59.738 -4.913 -9.897 1.00 0.00 C ATOM 375 CG TRP A 73 59.177 -3.522 -9.873 1.00 0.00 C ATOM 376 CD1 TRP A 73 59.135 -2.669 -8.806 1.00 0.00 C ATOM 377 CD2 TRP A 73 58.576 -2.825 -10.969 1.00 0.00 C ATOM 378 NE1 TRP A 73 58.546 -1.482 -9.175 1.00 0.00 N ATOM 379 CE2 TRP A 73 58.194 -1.555 -10.498 1.00 0.00 C ATOM 380 CE3 TRP A 73 58.325 -3.153 -12.304 1.00 0.00 C ATOM 381 CZ2 TRP A 73 57.573 -0.615 -11.316 1.00 0.00 C ATOM 382 CZ3 TRP A 73 57.710 -2.218 -13.115 1.00 0.00 C ATOM 383 CH2 TRP A 73 57.339 -0.963 -12.618 1.00 0.00 C ATOM 0 H TRP A 73 60.277 -5.174 -7.505 1.00 0.00 H new ATOM 0 HA TRP A 73 61.641 -5.910 -9.822 1.00 0.00 H new ATOM 0 HB2 TRP A 73 59.694 -5.293 -10.918 1.00 0.00 H new ATOM 0 HB3 TRP A 73 59.104 -5.559 -9.289 1.00 0.00 H new ATOM 0 HD1 TRP A 73 59.509 -2.894 -7.818 1.00 0.00 H new ATOM 0 HE1 TRP A 73 58.396 -0.679 -8.564 1.00 0.00 H new ATOM 0 HE3 TRP A 73 58.606 -4.120 -12.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 57.286 0.354 -10.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 57.512 -2.460 -14.149 1.00 0.00 H new ATOM 0 HH2 TRP A 73 56.858 -0.255 -13.276 1.00 0.00 H new ATOM 394 N ARG A 74 62.270 -2.891 -8.914 1.00 0.00 N ATOM 395 CA ARG A 74 63.042 -1.691 -9.218 1.00 0.00 C ATOM 396 C ARG A 74 64.543 -1.933 -9.053 1.00 0.00 C ATOM 397 O ARG A 74 65.348 -1.427 -9.835 1.00 0.00 O ATOM 398 CB ARG A 74 62.599 -0.538 -8.315 1.00 0.00 C ATOM 399 CG ARG A 74 62.529 0.801 -9.030 1.00 0.00 C ATOM 400 CD ARG A 74 62.957 1.945 -8.120 1.00 0.00 C ATOM 401 NE ARG A 74 61.973 3.026 -8.101 1.00 0.00 N ATOM 402 CZ ARG A 74 61.673 3.774 -9.160 1.00 0.00 C ATOM 403 NH1 ARG A 74 62.277 3.563 -10.324 1.00 0.00 N ATOM 404 NH2 ARG A 74 60.767 4.736 -9.056 1.00 0.00 N ATOM 0 H ARG A 74 61.959 -2.957 -7.945 1.00 0.00 H new ATOM 0 HA ARG A 74 62.855 -1.430 -10.260 1.00 0.00 H new ATOM 0 HB2 ARG A 74 61.619 -0.770 -7.898 1.00 0.00 H new ATOM 0 HB3 ARG A 74 63.291 -0.457 -7.477 1.00 0.00 H new ATOM 0 HG2 ARG A 74 63.170 0.777 -9.912 1.00 0.00 H new ATOM 0 HG3 ARG A 74 61.511 0.975 -9.380 1.00 0.00 H new ATOM 0 HD2 ARG A 74 63.102 1.568 -7.107 1.00 0.00 H new ATOM 0 HD3 ARG A 74 63.918 2.335 -8.455 1.00 0.00 H new ATOM 0 HE ARG A 74 61.488 3.218 -7.225 1.00 0.00 H new ATOM 0 HH11 ARG A 74 62.975 2.824 -10.410 1.00 0.00 H new ATOM 0 HH12 ARG A 74 62.043 4.140 -11.132 1.00 0.00 H new ATOM 0 HH21 ARG A 74 60.300 4.903 -8.165 1.00 0.00 H new ATOM 0 HH22 ARG A 74 60.537 5.310 -9.867 1.00 0.00 H new ATOM 418 N GLN A 75 64.918 -2.701 -8.030 1.00 0.00 N ATOM 419 CA GLN A 75 66.329 -2.993 -7.771 1.00 0.00 C ATOM 420 C GLN A 75 66.497 -4.365 -7.122 1.00 0.00 C ATOM 421 O GLN A 75 65.522 -5.000 -6.732 1.00 0.00 O ATOM 422 CB GLN A 75 66.954 -1.911 -6.880 1.00 0.00 C ATOM 423 CG GLN A 75 65.946 -0.958 -6.254 1.00 0.00 C ATOM 424 CD GLN A 75 66.601 0.269 -5.651 1.00 0.00 C ATOM 425 OE1 GLN A 75 66.102 1.386 -5.789 1.00 0.00 O ATOM 426 NE2 GLN A 75 67.727 0.066 -4.977 1.00 0.00 N ATOM 0 H GLN A 75 64.269 -3.130 -7.370 1.00 0.00 H new ATOM 0 HA GLN A 75 66.846 -3.000 -8.731 1.00 0.00 H new ATOM 0 HB2 GLN A 75 67.522 -2.394 -6.085 1.00 0.00 H new ATOM 0 HB3 GLN A 75 67.663 -1.333 -7.473 1.00 0.00 H new ATOM 0 HG2 GLN A 75 65.227 -0.646 -7.012 1.00 0.00 H new ATOM 0 HG3 GLN A 75 65.386 -1.484 -5.481 1.00 0.00 H new ATOM 0 HE21 GLN A 75 68.105 -0.877 -4.888 1.00 0.00 H new ATOM 0 HE22 GLN A 75 68.214 0.853 -4.549 1.00 0.00 H new ATOM 435 N GLU A 76 67.743 -4.819 -7.010 1.00 0.00 N ATOM 436 CA GLU A 76 68.024 -6.120 -6.411 1.00 0.00 C ATOM 437 C GLU A 76 69.082 -6.028 -5.310 1.00 0.00 C ATOM 438 O GLU A 76 69.482 -7.045 -4.743 1.00 0.00 O ATOM 439 CB GLU A 76 68.486 -7.104 -7.489 1.00 0.00 C ATOM 440 CG GLU A 76 67.916 -8.503 -7.320 1.00 0.00 C ATOM 441 CD GLU A 76 66.875 -8.841 -8.370 1.00 0.00 C ATOM 442 OE1 GLU A 76 67.222 -8.844 -9.571 1.00 0.00 O ATOM 443 OE2 GLU A 76 65.714 -9.102 -7.993 1.00 0.00 O ATOM 0 H GLU A 76 68.569 -4.309 -7.324 1.00 0.00 H new ATOM 0 HA GLU A 76 67.100 -6.476 -5.956 1.00 0.00 H new ATOM 0 HB2 GLU A 76 68.199 -6.719 -8.468 1.00 0.00 H new ATOM 0 HB3 GLU A 76 69.574 -7.160 -7.476 1.00 0.00 H new ATOM 0 HG2 GLU A 76 68.727 -9.230 -7.371 1.00 0.00 H new ATOM 0 HG3 GLU A 76 67.470 -8.592 -6.330 1.00 0.00 H new ATOM 450 N LYS A 77 69.534 -4.814 -5.007 1.00 0.00 N ATOM 451 CA LYS A 77 70.543 -4.620 -3.969 1.00 0.00 C ATOM 452 C LYS A 77 70.298 -3.322 -3.202 1.00 0.00 C ATOM 453 O LYS A 77 70.959 -2.312 -3.444 1.00 0.00 O ATOM 454 CB LYS A 77 71.943 -4.609 -4.586 1.00 0.00 C ATOM 455 CG LYS A 77 72.156 -3.490 -5.594 1.00 0.00 C ATOM 456 CD LYS A 77 73.175 -2.476 -5.098 1.00 0.00 C ATOM 457 CE LYS A 77 72.706 -1.048 -5.330 1.00 0.00 C ATOM 458 NZ LYS A 77 72.547 -0.303 -4.050 1.00 0.00 N ATOM 0 H LYS A 77 69.221 -3.956 -5.461 1.00 0.00 H new ATOM 0 HA LYS A 77 70.470 -5.451 -3.267 1.00 0.00 H new ATOM 0 HB2 LYS A 77 72.681 -4.514 -3.790 1.00 0.00 H new ATOM 0 HB3 LYS A 77 72.123 -5.566 -5.075 1.00 0.00 H new ATOM 0 HG2 LYS A 77 72.493 -3.912 -6.541 1.00 0.00 H new ATOM 0 HG3 LYS A 77 71.208 -2.989 -5.788 1.00 0.00 H new ATOM 0 HD2 LYS A 77 73.355 -2.632 -4.034 1.00 0.00 H new ATOM 0 HD3 LYS A 77 74.125 -2.635 -5.609 1.00 0.00 H new ATOM 0 HE2 LYS A 77 73.423 -0.529 -5.966 1.00 0.00 H new ATOM 0 HE3 LYS A 77 71.756 -1.060 -5.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 72.068 0.602 -4.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 71.978 -0.868 -3.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 73.483 -0.122 -3.635 1.00 0.00 H new ATOM 472 N ILE A 78 69.345 -3.357 -2.278 1.00 0.00 N ATOM 473 CA ILE A 78 69.015 -2.185 -1.479 1.00 0.00 C ATOM 474 C ILE A 78 69.865 -2.117 -0.214 1.00 0.00 C ATOM 475 O ILE A 78 69.787 -2.995 0.646 1.00 0.00 O ATOM 476 CB ILE A 78 67.525 -2.180 -1.089 1.00 0.00 C ATOM 477 CG1 ILE A 78 66.651 -2.430 -2.332 1.00 0.00 C ATOM 478 CG2 ILE A 78 67.165 -0.868 -0.402 1.00 0.00 C ATOM 479 CD1 ILE A 78 65.763 -1.266 -2.725 1.00 0.00 C ATOM 0 H ILE A 78 68.788 -4.184 -2.064 1.00 0.00 H new ATOM 0 HA ILE A 78 69.227 -1.311 -2.095 1.00 0.00 H new ATOM 0 HB ILE A 78 67.335 -2.987 -0.381 1.00 0.00 H new ATOM 0 HG12 ILE A 78 67.300 -2.675 -3.173 1.00 0.00 H new ATOM 0 HG13 ILE A 78 66.024 -3.303 -2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 78 66.109 -0.877 -0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 78 67.769 -0.751 0.498 1.00 0.00 H new ATOM 0 HG23 ILE A 78 67.359 -0.037 -1.080 1.00 0.00 H new ATOM 0 HD11 ILE A 78 65.184 -1.532 -3.610 1.00 0.00 H new ATOM 0 HD12 ILE A 78 65.085 -1.033 -1.904 1.00 0.00 H new ATOM 0 HD13 ILE A 78 66.381 -0.395 -2.944 1.00 0.00 H new ATOM 491 N THR A 79 70.670 -1.065 -0.102 1.00 0.00 N ATOM 492 CA THR A 79 71.529 -0.877 1.063 1.00 0.00 C ATOM 493 C THR A 79 71.245 0.465 1.732 1.00 0.00 C ATOM 494 O THR A 79 72.115 1.043 2.382 1.00 0.00 O ATOM 495 CB THR A 79 73.002 -0.962 0.660 1.00 0.00 C ATOM 496 OG1 THR A 79 73.837 -0.927 1.804 1.00 0.00 O ATOM 497 CG2 THR A 79 73.439 0.155 -0.261 1.00 0.00 C ATOM 0 H THR A 79 70.746 -0.329 -0.804 1.00 0.00 H new ATOM 0 HA THR A 79 71.313 -1.672 1.776 1.00 0.00 H new ATOM 0 HB THR A 79 73.100 -1.908 0.127 1.00 0.00 H new ATOM 0 HG1 THR A 79 73.520 -0.233 2.419 1.00 0.00 H new ATOM 0 HG21 THR A 79 74.494 0.033 -0.506 1.00 0.00 H new ATOM 0 HG22 THR A 79 72.848 0.124 -1.176 1.00 0.00 H new ATOM 0 HG23 THR A 79 73.291 1.114 0.235 1.00 0.00 H new ATOM 505 N ARG A 80 70.019 0.952 1.567 1.00 0.00 N ATOM 506 CA ARG A 80 69.610 2.224 2.150 1.00 0.00 C ATOM 507 C ARG A 80 69.082 2.014 3.570 1.00 0.00 C ATOM 508 O ARG A 80 68.116 1.285 3.780 1.00 0.00 O ATOM 509 CB ARG A 80 68.552 2.885 1.251 1.00 0.00 C ATOM 510 CG ARG A 80 67.419 3.578 1.995 1.00 0.00 C ATOM 511 CD ARG A 80 66.455 4.273 1.038 1.00 0.00 C ATOM 512 NE ARG A 80 67.044 4.506 -0.281 1.00 0.00 N ATOM 513 CZ ARG A 80 66.827 3.731 -1.344 1.00 0.00 C ATOM 514 NH1 ARG A 80 66.043 2.664 -1.255 1.00 0.00 N ATOM 515 NH2 ARG A 80 67.402 4.026 -2.502 1.00 0.00 N ATOM 0 H ARG A 80 69.289 0.482 1.032 1.00 0.00 H new ATOM 0 HA ARG A 80 70.472 2.888 2.214 1.00 0.00 H new ATOM 0 HB2 ARG A 80 69.046 3.615 0.610 1.00 0.00 H new ATOM 0 HB3 ARG A 80 68.126 2.124 0.597 1.00 0.00 H new ATOM 0 HG2 ARG A 80 66.875 2.846 2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 80 67.833 4.310 2.689 1.00 0.00 H new ATOM 0 HD2 ARG A 80 65.556 3.666 0.929 1.00 0.00 H new ATOM 0 HD3 ARG A 80 66.146 5.226 1.468 1.00 0.00 H new ATOM 0 HE ARG A 80 67.659 5.312 -0.394 1.00 0.00 H new ATOM 0 HH11 ARG A 80 65.599 2.430 -0.367 1.00 0.00 H new ATOM 0 HH12 ARG A 80 65.884 2.078 -2.075 1.00 0.00 H new ATOM 0 HH21 ARG A 80 68.008 4.843 -2.577 1.00 0.00 H new ATOM 0 HH22 ARG A 80 67.239 3.436 -3.318 1.00 0.00 H new ATOM 529 N THR A 81 69.731 2.651 4.540 1.00 0.00 N ATOM 530 CA THR A 81 69.333 2.521 5.939 1.00 0.00 C ATOM 531 C THR A 81 68.217 3.499 6.297 1.00 0.00 C ATOM 532 O THR A 81 67.757 4.273 5.458 1.00 0.00 O ATOM 533 CB THR A 81 70.538 2.747 6.858 1.00 0.00 C ATOM 534 OG1 THR A 81 71.606 3.349 6.148 1.00 0.00 O ATOM 535 CG2 THR A 81 71.059 1.472 7.481 1.00 0.00 C ATOM 0 H THR A 81 70.533 3.261 4.384 1.00 0.00 H new ATOM 0 HA THR A 81 68.955 1.509 6.082 1.00 0.00 H new ATOM 0 HB THR A 81 70.178 3.400 7.653 1.00 0.00 H new ATOM 0 HG1 THR A 81 72.365 3.486 6.753 1.00 0.00 H new ATOM 0 HG21 THR A 81 71.912 1.701 8.120 1.00 0.00 H new ATOM 0 HG22 THR A 81 70.272 1.011 8.078 1.00 0.00 H new ATOM 0 HG23 THR A 81 71.369 0.783 6.695 1.00 0.00 H new ATOM 543 N LYS A 82 67.790 3.452 7.558 1.00 0.00 N ATOM 544 CA LYS A 82 66.728 4.324 8.055 1.00 0.00 C ATOM 545 C LYS A 82 66.943 5.766 7.602 1.00 0.00 C ATOM 546 O LYS A 82 65.992 6.465 7.253 1.00 0.00 O ATOM 547 CB LYS A 82 66.667 4.249 9.585 1.00 0.00 C ATOM 548 CG LYS A 82 65.785 5.309 10.232 1.00 0.00 C ATOM 549 CD LYS A 82 66.576 6.183 11.194 1.00 0.00 C ATOM 550 CE LYS A 82 66.548 5.622 12.607 1.00 0.00 C ATOM 551 NZ LYS A 82 65.262 5.919 13.297 1.00 0.00 N ATOM 0 H LYS A 82 68.167 2.814 8.259 1.00 0.00 H new ATOM 0 HA LYS A 82 65.780 3.982 7.641 1.00 0.00 H new ATOM 0 HB2 LYS A 82 66.301 3.264 9.874 1.00 0.00 H new ATOM 0 HB3 LYS A 82 67.678 4.343 9.982 1.00 0.00 H new ATOM 0 HG2 LYS A 82 65.336 5.932 9.458 1.00 0.00 H new ATOM 0 HG3 LYS A 82 64.967 4.826 10.767 1.00 0.00 H new ATOM 0 HD2 LYS A 82 67.608 6.260 10.852 1.00 0.00 H new ATOM 0 HD3 LYS A 82 66.164 7.192 11.194 1.00 0.00 H new ATOM 0 HE2 LYS A 82 66.701 4.543 12.572 1.00 0.00 H new ATOM 0 HE3 LYS A 82 67.374 6.043 13.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 65.283 5.520 14.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 65.128 6.949 13.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 64.476 5.496 12.763 1.00 0.00 H new ATOM 565 N GLU A 83 68.197 6.204 7.609 1.00 0.00 N ATOM 566 CA GLU A 83 68.533 7.559 7.198 1.00 0.00 C ATOM 567 C GLU A 83 68.092 7.814 5.761 1.00 0.00 C ATOM 568 O GLU A 83 67.248 8.672 5.503 1.00 0.00 O ATOM 569 CB GLU A 83 70.037 7.799 7.333 1.00 0.00 C ATOM 570 CG GLU A 83 70.396 9.237 7.673 1.00 0.00 C ATOM 571 CD GLU A 83 71.040 9.968 6.511 1.00 0.00 C ATOM 572 OE1 GLU A 83 70.342 10.213 5.504 1.00 0.00 O ATOM 573 OE2 GLU A 83 72.242 10.296 6.605 1.00 0.00 O ATOM 0 H GLU A 83 68.997 5.639 7.895 1.00 0.00 H new ATOM 0 HA GLU A 83 68.003 8.252 7.851 1.00 0.00 H new ATOM 0 HB2 GLU A 83 70.433 7.142 8.107 1.00 0.00 H new ATOM 0 HB3 GLU A 83 70.526 7.522 6.399 1.00 0.00 H new ATOM 0 HG2 GLU A 83 69.495 9.770 7.978 1.00 0.00 H new ATOM 0 HG3 GLU A 83 71.076 9.246 8.525 1.00 0.00 H new ATOM 580 N GLU A 84 68.667 7.061 4.829 1.00 0.00 N ATOM 581 CA GLU A 84 68.331 7.203 3.419 1.00 0.00 C ATOM 582 C GLU A 84 66.871 6.839 3.166 1.00 0.00 C ATOM 583 O GLU A 84 66.230 7.389 2.271 1.00 0.00 O ATOM 584 CB GLU A 84 69.244 6.319 2.566 1.00 0.00 C ATOM 585 CG GLU A 84 70.567 6.977 2.208 1.00 0.00 C ATOM 586 CD GLU A 84 71.693 6.565 3.135 1.00 0.00 C ATOM 587 OE1 GLU A 84 71.644 6.930 4.328 1.00 0.00 O ATOM 588 OE2 GLU A 84 72.624 5.875 2.668 1.00 0.00 O ATOM 0 H GLU A 84 69.368 6.346 5.026 1.00 0.00 H new ATOM 0 HA GLU A 84 68.479 8.246 3.139 1.00 0.00 H new ATOM 0 HB2 GLU A 84 69.443 5.391 3.103 1.00 0.00 H new ATOM 0 HB3 GLU A 84 68.721 6.050 1.648 1.00 0.00 H new ATOM 0 HG2 GLU A 84 70.832 6.717 1.183 1.00 0.00 H new ATOM 0 HG3 GLU A 84 70.451 8.060 2.243 1.00 0.00 H new ATOM 595 N ALA A 85 66.352 5.906 3.959 1.00 0.00 N ATOM 596 CA ALA A 85 64.968 5.464 3.821 1.00 0.00 C ATOM 597 C ALA A 85 63.992 6.603 4.096 1.00 0.00 C ATOM 598 O ALA A 85 63.324 7.094 3.185 1.00 0.00 O ATOM 599 CB ALA A 85 64.694 4.295 4.755 1.00 0.00 C ATOM 0 H ALA A 85 66.870 5.441 4.705 1.00 0.00 H new ATOM 0 HA ALA A 85 64.820 5.138 2.791 1.00 0.00 H new ATOM 0 HB1 ALA A 85 63.658 3.975 4.643 1.00 0.00 H new ATOM 0 HB2 ALA A 85 65.359 3.468 4.507 1.00 0.00 H new ATOM 0 HB3 ALA A 85 64.868 4.604 5.786 1.00 0.00 H new ATOM 605 N LEU A 86 63.912 7.017 5.356 1.00 0.00 N ATOM 606 CA LEU A 86 63.012 8.096 5.746 1.00 0.00 C ATOM 607 C LEU A 86 63.352 9.383 5.001 1.00 0.00 C ATOM 608 O LEU A 86 62.474 10.200 4.726 1.00 0.00 O ATOM 609 CB LEU A 86 63.084 8.331 7.256 1.00 0.00 C ATOM 610 CG LEU A 86 62.018 9.276 7.814 1.00 0.00 C ATOM 611 CD1 LEU A 86 60.653 8.605 7.802 1.00 0.00 C ATOM 612 CD2 LEU A 86 62.384 9.717 9.223 1.00 0.00 C ATOM 0 H LEU A 86 64.458 6.623 6.122 1.00 0.00 H new ATOM 0 HA LEU A 86 61.996 7.801 5.481 1.00 0.00 H new ATOM 0 HB2 LEU A 86 62.997 7.370 7.763 1.00 0.00 H new ATOM 0 HB3 LEU A 86 64.068 8.732 7.500 1.00 0.00 H new ATOM 0 HG LEU A 86 61.972 10.160 7.178 1.00 0.00 H new ATOM 0 HD11 LEU A 86 59.907 9.291 8.202 1.00 0.00 H new ATOM 0 HD12 LEU A 86 60.388 8.337 6.779 1.00 0.00 H new ATOM 0 HD13 LEU A 86 60.685 7.705 8.416 1.00 0.00 H new ATOM 0 HD21 LEU A 86 61.615 10.389 9.605 1.00 0.00 H new ATOM 0 HD22 LEU A 86 62.457 8.843 9.870 1.00 0.00 H new ATOM 0 HD23 LEU A 86 63.343 10.236 9.204 1.00 0.00 H new ATOM 624 N GLU A 87 64.629 9.556 4.674 1.00 0.00 N ATOM 625 CA GLU A 87 65.075 10.744 3.954 1.00 0.00 C ATOM 626 C GLU A 87 64.318 10.886 2.639 1.00 0.00 C ATOM 627 O GLU A 87 64.017 11.995 2.197 1.00 0.00 O ATOM 628 CB GLU A 87 66.582 10.675 3.691 1.00 0.00 C ATOM 629 CG GLU A 87 67.108 11.821 2.839 1.00 0.00 C ATOM 630 CD GLU A 87 68.585 11.680 2.520 1.00 0.00 C ATOM 631 OE1 GLU A 87 69.123 10.565 2.680 1.00 0.00 O ATOM 632 OE2 GLU A 87 69.201 12.685 2.110 1.00 0.00 O ATOM 0 H GLU A 87 65.371 8.892 4.895 1.00 0.00 H new ATOM 0 HA GLU A 87 64.868 11.618 4.571 1.00 0.00 H new ATOM 0 HB2 GLU A 87 67.109 10.672 4.645 1.00 0.00 H new ATOM 0 HB3 GLU A 87 66.813 9.731 3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 87 66.542 11.867 1.909 1.00 0.00 H new ATOM 0 HG3 GLU A 87 66.941 12.763 3.361 1.00 0.00 H new ATOM 639 N LEU A 88 64.005 9.750 2.022 1.00 0.00 N ATOM 640 CA LEU A 88 63.274 9.743 0.762 1.00 0.00 C ATOM 641 C LEU A 88 61.793 10.009 1.003 1.00 0.00 C ATOM 642 O LEU A 88 61.206 10.902 0.395 1.00 0.00 O ATOM 643 CB LEU A 88 63.457 8.403 0.046 1.00 0.00 C ATOM 644 CG LEU A 88 64.844 8.174 -0.559 1.00 0.00 C ATOM 645 CD1 LEU A 88 64.874 6.868 -1.339 1.00 0.00 C ATOM 646 CD2 LEU A 88 65.239 9.343 -1.452 1.00 0.00 C ATOM 0 H LEU A 88 64.247 8.824 2.375 1.00 0.00 H new ATOM 0 HA LEU A 88 63.673 10.536 0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 88 63.249 7.600 0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 88 62.714 8.329 -0.748 1.00 0.00 H new ATOM 0 HG LEU A 88 65.568 8.106 0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 88 65.867 6.720 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 88 64.637 6.040 -0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 88 64.139 6.907 -2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 88 66.228 9.161 -1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 88 64.514 9.445 -2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 88 65.258 10.260 -0.863 1.00 0.00 H new ATOM 658 N ILE A 89 61.195 9.230 1.902 1.00 0.00 N ATOM 659 CA ILE A 89 59.782 9.387 2.229 1.00 0.00 C ATOM 660 C ILE A 89 59.502 10.799 2.745 1.00 0.00 C ATOM 661 O ILE A 89 58.586 11.470 2.271 1.00 0.00 O ATOM 662 CB ILE A 89 59.326 8.320 3.268 1.00 0.00 C ATOM 663 CG1 ILE A 89 58.189 7.460 2.699 1.00 0.00 C ATOM 664 CG2 ILE A 89 58.897 8.957 4.587 1.00 0.00 C ATOM 665 CD1 ILE A 89 58.484 6.892 1.328 1.00 0.00 C ATOM 0 H ILE A 89 61.667 8.486 2.415 1.00 0.00 H new ATOM 0 HA ILE A 89 59.206 9.234 1.316 1.00 0.00 H new ATOM 0 HB ILE A 89 60.185 7.681 3.473 1.00 0.00 H new ATOM 0 HG12 ILE A 89 57.987 6.639 3.387 1.00 0.00 H new ATOM 0 HG13 ILE A 89 57.282 8.062 2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 89 58.587 8.178 5.283 1.00 0.00 H new ATOM 0 HG22 ILE A 89 59.734 9.512 5.012 1.00 0.00 H new ATOM 0 HG23 ILE A 89 58.064 9.637 4.409 1.00 0.00 H new ATOM 0 HD11 ILE A 89 57.636 6.296 0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 89 58.656 7.708 0.626 1.00 0.00 H new ATOM 0 HD13 ILE A 89 59.373 6.263 1.378 1.00 0.00 H new ATOM 677 N ASN A 90 60.301 11.245 3.710 1.00 0.00 N ATOM 678 CA ASN A 90 60.141 12.578 4.284 1.00 0.00 C ATOM 679 C ASN A 90 60.215 13.643 3.197 1.00 0.00 C ATOM 680 O ASN A 90 59.345 14.508 3.102 1.00 0.00 O ATOM 681 CB ASN A 90 61.214 12.833 5.343 1.00 0.00 C ATOM 682 CG ASN A 90 60.898 14.037 6.209 1.00 0.00 C ATOM 683 OD1 ASN A 90 61.052 15.181 5.785 1.00 0.00 O ATOM 684 ND2 ASN A 90 60.452 13.781 7.435 1.00 0.00 N ATOM 0 H ASN A 90 61.066 10.703 4.111 1.00 0.00 H new ATOM 0 HA ASN A 90 59.160 12.632 4.756 1.00 0.00 H new ATOM 0 HB2 ASN A 90 61.314 11.951 5.975 1.00 0.00 H new ATOM 0 HB3 ASN A 90 62.176 12.984 4.853 1.00 0.00 H new ATOM 0 HD21 ASN A 90 60.223 14.550 8.065 1.00 0.00 H new ATOM 0 HD22 ASN A 90 60.339 12.816 7.746 1.00 0.00 H new ATOM 691 N GLY A 91 61.254 13.568 2.370 1.00 0.00 N ATOM 692 CA GLY A 91 61.409 14.528 1.293 1.00 0.00 C ATOM 693 C GLY A 91 60.193 14.560 0.391 1.00 0.00 C ATOM 694 O GLY A 91 59.783 15.623 -0.074 1.00 0.00 O ATOM 0 H GLY A 91 61.988 12.862 2.426 1.00 0.00 H new ATOM 0 HA2 GLY A 91 61.578 15.520 1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 91 62.292 14.276 0.705 1.00 0.00 H new ATOM 698 N TYR A 92 59.612 13.388 0.156 1.00 0.00 N ATOM 699 CA TYR A 92 58.427 13.273 -0.683 1.00 0.00 C ATOM 700 C TYR A 92 57.241 13.967 -0.021 1.00 0.00 C ATOM 701 O TYR A 92 56.466 14.661 -0.679 1.00 0.00 O ATOM 702 CB TYR A 92 58.096 11.797 -0.931 1.00 0.00 C ATOM 703 CG TYR A 92 59.251 10.990 -1.488 1.00 0.00 C ATOM 704 CD1 TYR A 92 60.213 11.582 -2.297 1.00 0.00 C ATOM 705 CD2 TYR A 92 59.376 9.634 -1.204 1.00 0.00 C ATOM 706 CE1 TYR A 92 61.267 10.847 -2.806 1.00 0.00 C ATOM 707 CE2 TYR A 92 60.428 8.893 -1.709 1.00 0.00 C ATOM 708 CZ TYR A 92 61.370 9.505 -2.510 1.00 0.00 C ATOM 709 OH TYR A 92 62.420 8.770 -3.016 1.00 0.00 O ATOM 0 H TYR A 92 59.945 12.502 0.537 1.00 0.00 H new ATOM 0 HA TYR A 92 58.630 13.756 -1.639 1.00 0.00 H new ATOM 0 HB2 TYR A 92 57.770 11.346 0.006 1.00 0.00 H new ATOM 0 HB3 TYR A 92 57.256 11.735 -1.623 1.00 0.00 H new ATOM 0 HD1 TYR A 92 60.136 12.633 -2.532 1.00 0.00 H new ATOM 0 HD2 TYR A 92 58.639 9.152 -0.579 1.00 0.00 H new ATOM 0 HE1 TYR A 92 62.007 11.322 -3.433 1.00 0.00 H new ATOM 0 HE2 TYR A 92 60.512 7.841 -1.478 1.00 0.00 H new ATOM 0 HH TYR A 92 62.528 8.967 -3.970 1.00 0.00 H new ATOM 719 N ILE A 93 57.112 13.770 1.287 1.00 0.00 N ATOM 720 CA ILE A 93 56.025 14.366 2.055 1.00 0.00 C ATOM 721 C ILE A 93 56.092 15.893 2.024 1.00 0.00 C ATOM 722 O ILE A 93 55.079 16.564 1.838 1.00 0.00 O ATOM 723 CB ILE A 93 56.056 13.882 3.523 1.00 0.00 C ATOM 724 CG1 ILE A 93 55.831 12.370 3.587 1.00 0.00 C ATOM 725 CG2 ILE A 93 55.005 14.608 4.355 1.00 0.00 C ATOM 726 CD1 ILE A 93 55.999 11.791 4.974 1.00 0.00 C ATOM 0 H ILE A 93 57.751 13.199 1.840 1.00 0.00 H new ATOM 0 HA ILE A 93 55.092 14.047 1.591 1.00 0.00 H new ATOM 0 HB ILE A 93 57.038 14.110 3.938 1.00 0.00 H new ATOM 0 HG12 ILE A 93 54.827 12.145 3.228 1.00 0.00 H new ATOM 0 HG13 ILE A 93 56.529 11.878 2.910 1.00 0.00 H new ATOM 0 HG21 ILE A 93 55.045 14.251 5.384 1.00 0.00 H new ATOM 0 HG22 ILE A 93 55.202 15.680 4.335 1.00 0.00 H new ATOM 0 HG23 ILE A 93 54.015 14.413 3.942 1.00 0.00 H new ATOM 0 HD11 ILE A 93 55.825 10.715 4.943 1.00 0.00 H new ATOM 0 HD12 ILE A 93 57.011 11.984 5.329 1.00 0.00 H new ATOM 0 HD13 ILE A 93 55.282 12.255 5.651 1.00 0.00 H new ATOM 738 N GLN A 94 57.291 16.434 2.220 1.00 0.00 N ATOM 739 CA GLN A 94 57.486 17.881 2.225 1.00 0.00 C ATOM 740 C GLN A 94 57.019 18.516 0.917 1.00 0.00 C ATOM 741 O GLN A 94 56.168 19.404 0.918 1.00 0.00 O ATOM 742 CB GLN A 94 58.957 18.217 2.468 1.00 0.00 C ATOM 743 CG GLN A 94 59.239 19.709 2.522 1.00 0.00 C ATOM 744 CD GLN A 94 60.681 20.018 2.875 1.00 0.00 C ATOM 745 OE1 GLN A 94 61.512 20.251 1.997 1.00 0.00 O ATOM 746 NE2 GLN A 94 60.984 20.022 4.168 1.00 0.00 N ATOM 0 H GLN A 94 58.141 15.893 2.377 1.00 0.00 H new ATOM 0 HA GLN A 94 56.882 18.291 3.034 1.00 0.00 H new ATOM 0 HB2 GLN A 94 59.275 17.761 3.406 1.00 0.00 H new ATOM 0 HB3 GLN A 94 59.559 17.770 1.676 1.00 0.00 H new ATOM 0 HG2 GLN A 94 59.002 20.155 1.556 1.00 0.00 H new ATOM 0 HG3 GLN A 94 58.581 20.173 3.257 1.00 0.00 H new ATOM 0 HE21 GLN A 94 60.263 19.823 4.861 1.00 0.00 H new ATOM 0 HE22 GLN A 94 61.938 20.224 4.468 1.00 0.00 H new ATOM 755 N LYS A 95 57.590 18.062 -0.195 1.00 0.00 N ATOM 756 CA LYS A 95 57.239 18.595 -1.511 1.00 0.00 C ATOM 757 C LYS A 95 55.726 18.617 -1.716 1.00 0.00 C ATOM 758 O LYS A 95 55.165 19.612 -2.183 1.00 0.00 O ATOM 759 CB LYS A 95 57.903 17.771 -2.616 1.00 0.00 C ATOM 760 CG LYS A 95 59.341 17.382 -2.316 1.00 0.00 C ATOM 761 CD LYS A 95 60.270 17.724 -3.470 1.00 0.00 C ATOM 762 CE LYS A 95 61.725 17.744 -3.030 1.00 0.00 C ATOM 763 NZ LYS A 95 62.606 17.008 -3.979 1.00 0.00 N ATOM 0 H LYS A 95 58.297 17.327 -0.213 1.00 0.00 H new ATOM 0 HA LYS A 95 57.605 19.621 -1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 95 57.319 16.865 -2.781 1.00 0.00 H new ATOM 0 HB3 LYS A 95 57.877 18.340 -3.545 1.00 0.00 H new ATOM 0 HG2 LYS A 95 59.676 17.896 -1.415 1.00 0.00 H new ATOM 0 HG3 LYS A 95 59.393 16.313 -2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 95 60.141 16.995 -4.270 1.00 0.00 H new ATOM 0 HD3 LYS A 95 60.000 18.697 -3.879 1.00 0.00 H new ATOM 0 HE2 LYS A 95 62.064 18.777 -2.947 1.00 0.00 H new ATOM 0 HE3 LYS A 95 61.810 17.300 -2.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 63.589 17.046 -3.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 62.299 16.016 -4.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 62.546 17.447 -4.920 1.00 0.00 H new ATOM 777 N ILE A 96 55.068 17.518 -1.362 1.00 0.00 N ATOM 778 CA ILE A 96 53.621 17.416 -1.505 1.00 0.00 C ATOM 779 C ILE A 96 52.920 18.495 -0.688 1.00 0.00 C ATOM 780 O ILE A 96 52.113 19.262 -1.215 1.00 0.00 O ATOM 781 CB ILE A 96 53.111 16.031 -1.066 1.00 0.00 C ATOM 782 CG1 ILE A 96 53.814 14.943 -1.871 1.00 0.00 C ATOM 783 CG2 ILE A 96 51.599 15.930 -1.236 1.00 0.00 C ATOM 784 CD1 ILE A 96 53.839 13.598 -1.176 1.00 0.00 C ATOM 0 H ILE A 96 55.514 16.686 -0.974 1.00 0.00 H new ATOM 0 HA ILE A 96 53.389 17.556 -2.561 1.00 0.00 H new ATOM 0 HB ILE A 96 53.339 15.894 -0.009 1.00 0.00 H new ATOM 0 HG12 ILE A 96 53.316 14.836 -2.835 1.00 0.00 H new ATOM 0 HG13 ILE A 96 54.838 15.257 -2.075 1.00 0.00 H new ATOM 0 HG21 ILE A 96 51.262 14.943 -0.919 1.00 0.00 H new ATOM 0 HG22 ILE A 96 51.113 16.692 -0.627 1.00 0.00 H new ATOM 0 HG23 ILE A 96 51.340 16.083 -2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 96 54.354 12.873 -1.806 1.00 0.00 H new ATOM 0 HD12 ILE A 96 54.363 13.690 -0.225 1.00 0.00 H new ATOM 0 HD13 ILE A 96 52.818 13.262 -0.997 1.00 0.00 H new ATOM 796 N LYS A 97 53.236 18.548 0.600 1.00 0.00 N ATOM 797 CA LYS A 97 52.642 19.536 1.491 1.00 0.00 C ATOM 798 C LYS A 97 53.035 20.951 1.076 1.00 0.00 C ATOM 799 O LYS A 97 52.377 21.921 1.453 1.00 0.00 O ATOM 800 CB LYS A 97 53.076 19.276 2.935 1.00 0.00 C ATOM 801 CG LYS A 97 51.962 19.474 3.951 1.00 0.00 C ATOM 802 CD LYS A 97 52.425 20.307 5.136 1.00 0.00 C ATOM 803 CE LYS A 97 53.601 19.658 5.851 1.00 0.00 C ATOM 804 NZ LYS A 97 53.315 18.246 6.223 1.00 0.00 N ATOM 0 H LYS A 97 53.900 17.918 1.051 1.00 0.00 H new ATOM 0 HA LYS A 97 51.558 19.446 1.422 1.00 0.00 H new ATOM 0 HB2 LYS A 97 53.452 18.256 3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 97 53.904 19.941 3.182 1.00 0.00 H new ATOM 0 HG2 LYS A 97 51.114 19.963 3.471 1.00 0.00 H new ATOM 0 HG3 LYS A 97 51.613 18.503 4.303 1.00 0.00 H new ATOM 0 HD2 LYS A 97 52.711 21.301 4.793 1.00 0.00 H new ATOM 0 HD3 LYS A 97 51.599 20.436 5.836 1.00 0.00 H new ATOM 0 HE2 LYS A 97 54.481 19.693 5.208 1.00 0.00 H new ATOM 0 HE3 LYS A 97 53.840 20.228 6.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 53.760 18.031 7.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 52.287 18.108 6.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 53.698 17.611 5.494 1.00 0.00 H new ATOM 818 N SER A 98 54.108 21.067 0.295 1.00 0.00 N ATOM 819 CA SER A 98 54.575 22.367 -0.167 1.00 0.00 C ATOM 820 C SER A 98 53.810 22.812 -1.408 1.00 0.00 C ATOM 821 O SER A 98 53.762 24.000 -1.729 1.00 0.00 O ATOM 822 CB SER A 98 56.073 22.318 -0.468 1.00 0.00 C ATOM 823 OG SER A 98 56.319 21.773 -1.753 1.00 0.00 O ATOM 0 H SER A 98 54.667 20.277 -0.029 1.00 0.00 H new ATOM 0 HA SER A 98 54.395 23.091 0.627 1.00 0.00 H new ATOM 0 HB2 SER A 98 56.492 23.323 -0.410 1.00 0.00 H new ATOM 0 HB3 SER A 98 56.579 21.718 0.288 1.00 0.00 H new ATOM 0 HG SER A 98 55.785 20.960 -1.871 1.00 0.00 H new ATOM 829 N GLY A 99 53.218 21.850 -2.109 1.00 0.00 N ATOM 830 CA GLY A 99 52.474 22.164 -3.314 1.00 0.00 C ATOM 831 C GLY A 99 53.360 22.184 -4.544 1.00 0.00 C ATOM 832 O GLY A 99 52.930 22.599 -5.621 1.00 0.00 O ATOM 0 H GLY A 99 53.240 20.860 -1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 99 51.681 21.429 -3.451 1.00 0.00 H new ATOM 0 HA3 GLY A 99 51.992 23.135 -3.199 1.00 0.00 H new ATOM 836 N GLU A 100 54.603 21.733 -4.384 1.00 0.00 N ATOM 837 CA GLU A 100 55.553 21.702 -5.487 1.00 0.00 C ATOM 838 C GLU A 100 55.467 20.376 -6.236 1.00 0.00 C ATOM 839 O GLU A 100 55.495 20.349 -7.467 1.00 0.00 O ATOM 840 CB GLU A 100 56.975 21.919 -4.968 1.00 0.00 C ATOM 841 CG GLU A 100 57.168 23.252 -4.262 1.00 0.00 C ATOM 842 CD GLU A 100 56.854 24.436 -5.155 1.00 0.00 C ATOM 843 OE1 GLU A 100 55.670 24.613 -5.513 1.00 0.00 O ATOM 844 OE2 GLU A 100 57.791 25.187 -5.498 1.00 0.00 O ATOM 0 H GLU A 100 54.973 21.385 -3.500 1.00 0.00 H new ATOM 0 HA GLU A 100 55.301 22.507 -6.178 1.00 0.00 H new ATOM 0 HB2 GLU A 100 57.229 21.113 -4.280 1.00 0.00 H new ATOM 0 HB3 GLU A 100 57.672 21.856 -5.804 1.00 0.00 H new ATOM 0 HG2 GLU A 100 56.529 23.288 -3.380 1.00 0.00 H new ATOM 0 HG3 GLU A 100 58.198 23.328 -3.913 1.00 0.00 H new ATOM 851 N GLU A 101 55.358 19.279 -5.491 1.00 0.00 N ATOM 852 CA GLU A 101 55.263 17.958 -6.104 1.00 0.00 C ATOM 853 C GLU A 101 54.015 17.227 -5.627 1.00 0.00 C ATOM 854 O GLU A 101 53.282 17.725 -4.770 1.00 0.00 O ATOM 855 CB GLU A 101 56.506 17.125 -5.784 1.00 0.00 C ATOM 856 CG GLU A 101 57.682 17.409 -6.704 1.00 0.00 C ATOM 857 CD GLU A 101 58.206 18.824 -6.563 1.00 0.00 C ATOM 858 OE1 GLU A 101 58.002 19.428 -5.489 1.00 0.00 O ATOM 859 OE2 GLU A 101 58.824 19.328 -7.525 1.00 0.00 O ATOM 0 H GLU A 101 55.333 19.278 -4.471 1.00 0.00 H new ATOM 0 HA GLU A 101 55.197 18.095 -7.183 1.00 0.00 H new ATOM 0 HB2 GLU A 101 56.807 17.317 -4.754 1.00 0.00 H new ATOM 0 HB3 GLU A 101 56.251 16.067 -5.850 1.00 0.00 H new ATOM 0 HG2 GLU A 101 58.486 16.705 -6.488 1.00 0.00 H new ATOM 0 HG3 GLU A 101 57.379 17.239 -7.737 1.00 0.00 H new ATOM 866 N ASP A 102 53.773 16.047 -6.187 1.00 0.00 N ATOM 867 CA ASP A 102 52.610 15.255 -5.813 1.00 0.00 C ATOM 868 C ASP A 102 53.001 13.820 -5.491 1.00 0.00 C ATOM 869 O ASP A 102 53.766 13.191 -6.223 1.00 0.00 O ATOM 870 CB ASP A 102 51.565 15.278 -6.931 1.00 0.00 C ATOM 871 CG ASP A 102 52.151 14.918 -8.282 1.00 0.00 C ATOM 872 OD1 ASP A 102 53.145 15.556 -8.686 1.00 0.00 O ATOM 873 OD2 ASP A 102 51.613 14.000 -8.936 1.00 0.00 O ATOM 0 H ASP A 102 54.365 15.620 -6.899 1.00 0.00 H new ATOM 0 HA ASP A 102 52.179 15.699 -4.916 1.00 0.00 H new ATOM 0 HB2 ASP A 102 50.763 14.580 -6.689 1.00 0.00 H new ATOM 0 HB3 ASP A 102 51.118 16.271 -6.985 1.00 0.00 H new ATOM 878 N PHE A 103 52.462 13.308 -4.390 1.00 0.00 N ATOM 879 CA PHE A 103 52.740 11.943 -3.955 1.00 0.00 C ATOM 880 C PHE A 103 52.615 10.970 -5.123 1.00 0.00 C ATOM 881 O PHE A 103 53.372 10.005 -5.226 1.00 0.00 O ATOM 882 CB PHE A 103 51.776 11.547 -2.838 1.00 0.00 C ATOM 883 CG PHE A 103 52.082 10.218 -2.213 1.00 0.00 C ATOM 884 CD1 PHE A 103 51.719 9.041 -2.843 1.00 0.00 C ATOM 885 CD2 PHE A 103 52.721 10.149 -0.986 1.00 0.00 C ATOM 886 CE1 PHE A 103 51.988 7.817 -2.263 1.00 0.00 C ATOM 887 CE2 PHE A 103 52.993 8.929 -0.400 1.00 0.00 C ATOM 888 CZ PHE A 103 52.626 7.762 -1.040 1.00 0.00 C ATOM 0 H PHE A 103 51.826 13.821 -3.779 1.00 0.00 H new ATOM 0 HA PHE A 103 53.762 11.900 -3.579 1.00 0.00 H new ATOM 0 HB2 PHE A 103 51.797 12.315 -2.064 1.00 0.00 H new ATOM 0 HB3 PHE A 103 50.762 11.525 -3.238 1.00 0.00 H new ATOM 0 HD1 PHE A 103 51.219 9.080 -3.800 1.00 0.00 H new ATOM 0 HD2 PHE A 103 53.010 11.060 -0.482 1.00 0.00 H new ATOM 0 HE1 PHE A 103 51.700 6.905 -2.765 1.00 0.00 H new ATOM 0 HE2 PHE A 103 53.492 8.888 0.557 1.00 0.00 H new ATOM 0 HZ PHE A 103 52.838 6.806 -0.584 1.00 0.00 H new ATOM 898 N GLU A 104 51.661 11.243 -6.006 1.00 0.00 N ATOM 899 CA GLU A 104 51.443 10.403 -7.174 1.00 0.00 C ATOM 900 C GLU A 104 52.684 10.409 -8.062 1.00 0.00 C ATOM 901 O GLU A 104 53.238 9.358 -8.382 1.00 0.00 O ATOM 902 CB GLU A 104 50.208 10.888 -7.950 1.00 0.00 C ATOM 903 CG GLU A 104 50.395 10.957 -9.460 1.00 0.00 C ATOM 904 CD GLU A 104 49.095 11.214 -10.198 1.00 0.00 C ATOM 905 OE1 GLU A 104 48.137 10.440 -9.999 1.00 0.00 O ATOM 906 OE2 GLU A 104 49.037 12.190 -10.975 1.00 0.00 O ATOM 0 H GLU A 104 51.028 12.039 -5.934 1.00 0.00 H new ATOM 0 HA GLU A 104 51.261 9.379 -6.849 1.00 0.00 H new ATOM 0 HB2 GLU A 104 49.373 10.223 -7.731 1.00 0.00 H new ATOM 0 HB3 GLU A 104 49.932 11.877 -7.586 1.00 0.00 H new ATOM 0 HG2 GLU A 104 51.106 11.748 -9.698 1.00 0.00 H new ATOM 0 HG3 GLU A 104 50.829 10.021 -9.812 1.00 0.00 H new ATOM 913 N SER A 105 53.123 11.602 -8.448 1.00 0.00 N ATOM 914 CA SER A 105 54.301 11.739 -9.294 1.00 0.00 C ATOM 915 C SER A 105 55.544 11.273 -8.551 1.00 0.00 C ATOM 916 O SER A 105 56.385 10.569 -9.110 1.00 0.00 O ATOM 917 CB SER A 105 54.477 13.192 -9.738 1.00 0.00 C ATOM 918 OG SER A 105 55.048 13.976 -8.705 1.00 0.00 O ATOM 0 H SER A 105 52.682 12.485 -8.189 1.00 0.00 H new ATOM 0 HA SER A 105 54.161 11.116 -10.177 1.00 0.00 H new ATOM 0 HB2 SER A 105 55.113 13.231 -10.622 1.00 0.00 H new ATOM 0 HB3 SER A 105 53.511 13.608 -10.023 1.00 0.00 H new ATOM 0 HG SER A 105 54.762 14.908 -8.805 1.00 0.00 H new ATOM 924 N LEU A 106 55.654 11.661 -7.284 1.00 0.00 N ATOM 925 CA LEU A 106 56.798 11.266 -6.474 1.00 0.00 C ATOM 926 C LEU A 106 56.875 9.745 -6.359 1.00 0.00 C ATOM 927 O LEU A 106 57.814 9.124 -6.860 1.00 0.00 O ATOM 928 CB LEU A 106 56.706 11.893 -5.081 1.00 0.00 C ATOM 929 CG LEU A 106 56.777 13.421 -5.054 1.00 0.00 C ATOM 930 CD1 LEU A 106 56.012 13.971 -3.860 1.00 0.00 C ATOM 931 CD2 LEU A 106 58.226 13.886 -5.022 1.00 0.00 C ATOM 0 H LEU A 106 54.970 12.244 -6.801 1.00 0.00 H new ATOM 0 HA LEU A 106 57.704 11.625 -6.963 1.00 0.00 H new ATOM 0 HB2 LEU A 106 55.770 11.580 -4.619 1.00 0.00 H new ATOM 0 HB3 LEU A 106 57.514 11.496 -4.466 1.00 0.00 H new ATOM 0 HG LEU A 106 56.313 13.803 -5.963 1.00 0.00 H new ATOM 0 HD11 LEU A 106 56.074 15.059 -3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 106 54.967 13.667 -3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 106 56.446 13.581 -2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 106 58.258 14.975 -5.003 1.00 0.00 H new ATOM 0 HD22 LEU A 106 58.715 13.493 -4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 106 58.744 13.523 -5.910 1.00 0.00 H new ATOM 943 N ALA A 107 55.869 9.152 -5.707 1.00 0.00 N ATOM 944 CA ALA A 107 55.807 7.700 -5.525 1.00 0.00 C ATOM 945 C ALA A 107 56.293 6.961 -6.756 1.00 0.00 C ATOM 946 O ALA A 107 57.158 6.105 -6.665 1.00 0.00 O ATOM 947 CB ALA A 107 54.391 7.261 -5.184 1.00 0.00 C ATOM 0 H ALA A 107 55.085 9.658 -5.296 1.00 0.00 H new ATOM 0 HA ALA A 107 56.468 7.449 -4.696 1.00 0.00 H new ATOM 0 HB1 ALA A 107 54.367 6.179 -5.053 1.00 0.00 H new ATOM 0 HB2 ALA A 107 54.072 7.745 -4.261 1.00 0.00 H new ATOM 0 HB3 ALA A 107 53.718 7.543 -5.993 1.00 0.00 H new ATOM 953 N SER A 108 55.740 7.297 -7.907 1.00 0.00 N ATOM 954 CA SER A 108 56.139 6.649 -9.144 1.00 0.00 C ATOM 955 C SER A 108 57.660 6.658 -9.307 1.00 0.00 C ATOM 956 O SER A 108 58.288 5.605 -9.438 1.00 0.00 O ATOM 957 CB SER A 108 55.483 7.342 -10.338 1.00 0.00 C ATOM 958 OG SER A 108 56.103 6.958 -11.555 1.00 0.00 O ATOM 0 H SER A 108 55.018 8.010 -8.012 1.00 0.00 H new ATOM 0 HA SER A 108 55.806 5.612 -9.103 1.00 0.00 H new ATOM 0 HB2 SER A 108 54.423 7.090 -10.371 1.00 0.00 H new ATOM 0 HB3 SER A 108 55.550 8.423 -10.217 1.00 0.00 H new ATOM 0 HG SER A 108 55.664 7.414 -12.304 1.00 0.00 H new ATOM 964 N GLN A 109 58.243 7.855 -9.299 1.00 0.00 N ATOM 965 CA GLN A 109 59.687 8.017 -9.471 1.00 0.00 C ATOM 966 C GLN A 109 60.487 7.467 -8.294 1.00 0.00 C ATOM 967 O GLN A 109 61.714 7.401 -8.355 1.00 0.00 O ATOM 968 CB GLN A 109 60.025 9.495 -9.667 1.00 0.00 C ATOM 969 CG GLN A 109 59.708 10.011 -11.062 1.00 0.00 C ATOM 970 CD GLN A 109 58.908 11.300 -11.040 1.00 0.00 C ATOM 971 OE1 GLN A 109 57.681 11.284 -11.135 1.00 0.00 O ATOM 972 NE2 GLN A 109 59.603 12.424 -10.917 1.00 0.00 N ATOM 0 H GLN A 109 57.736 8.731 -9.175 1.00 0.00 H new ATOM 0 HA GLN A 109 59.967 7.442 -10.354 1.00 0.00 H new ATOM 0 HB2 GLN A 109 59.473 10.086 -8.936 1.00 0.00 H new ATOM 0 HB3 GLN A 109 61.085 9.647 -9.464 1.00 0.00 H new ATOM 0 HG2 GLN A 109 60.639 10.175 -11.605 1.00 0.00 H new ATOM 0 HG3 GLN A 109 59.150 9.251 -11.608 1.00 0.00 H new ATOM 0 HE21 GLN A 109 60.620 12.389 -10.841 1.00 0.00 H new ATOM 0 HE22 GLN A 109 59.121 13.322 -10.898 1.00 0.00 H new ATOM 981 N PHE A 110 59.806 7.083 -7.224 1.00 0.00 N ATOM 982 CA PHE A 110 60.492 6.556 -6.052 1.00 0.00 C ATOM 983 C PHE A 110 59.838 5.276 -5.534 1.00 0.00 C ATOM 984 O PHE A 110 60.227 4.754 -4.489 1.00 0.00 O ATOM 985 CB PHE A 110 60.526 7.615 -4.951 1.00 0.00 C ATOM 986 CG PHE A 110 60.971 8.965 -5.442 1.00 0.00 C ATOM 987 CD1 PHE A 110 62.276 9.168 -5.862 1.00 0.00 C ATOM 988 CD2 PHE A 110 60.084 10.029 -5.487 1.00 0.00 C ATOM 989 CE1 PHE A 110 62.688 10.406 -6.315 1.00 0.00 C ATOM 990 CE2 PHE A 110 60.491 11.269 -5.940 1.00 0.00 C ATOM 991 CZ PHE A 110 61.795 11.458 -6.353 1.00 0.00 C ATOM 0 H PHE A 110 58.790 7.125 -7.142 1.00 0.00 H new ATOM 0 HA PHE A 110 61.510 6.304 -6.348 1.00 0.00 H new ATOM 0 HB2 PHE A 110 59.533 7.705 -4.511 1.00 0.00 H new ATOM 0 HB3 PHE A 110 61.197 7.284 -4.158 1.00 0.00 H new ATOM 0 HD1 PHE A 110 62.979 8.349 -5.835 1.00 0.00 H new ATOM 0 HD2 PHE A 110 59.063 9.887 -5.164 1.00 0.00 H new ATOM 0 HE1 PHE A 110 63.708 10.551 -6.639 1.00 0.00 H new ATOM 0 HE2 PHE A 110 59.790 12.090 -5.971 1.00 0.00 H new ATOM 0 HZ PHE A 110 62.116 12.427 -6.705 1.00 0.00 H new ATOM 1001 N SER A 111 58.836 4.775 -6.255 1.00 0.00 N ATOM 1002 CA SER A 111 58.138 3.565 -5.837 1.00 0.00 C ATOM 1003 C SER A 111 58.951 2.314 -6.155 1.00 0.00 C ATOM 1004 O SER A 111 58.959 1.843 -7.291 1.00 0.00 O ATOM 1005 CB SER A 111 56.769 3.475 -6.512 1.00 0.00 C ATOM 1006 OG SER A 111 55.792 4.202 -5.785 1.00 0.00 O ATOM 0 H SER A 111 58.493 5.185 -7.124 1.00 0.00 H new ATOM 0 HA SER A 111 58.004 3.622 -4.757 1.00 0.00 H new ATOM 0 HB2 SER A 111 56.835 3.864 -7.528 1.00 0.00 H new ATOM 0 HB3 SER A 111 56.466 2.431 -6.590 1.00 0.00 H new ATOM 0 HG SER A 111 54.926 4.130 -6.238 1.00 0.00 H new ATOM 1012 N ASP A 112 59.621 1.772 -5.142 1.00 0.00 N ATOM 1013 CA ASP A 112 60.419 0.565 -5.325 1.00 0.00 C ATOM 1014 C ASP A 112 59.519 -0.647 -5.553 1.00 0.00 C ATOM 1015 O ASP A 112 59.979 -1.698 -5.999 1.00 0.00 O ATOM 1016 CB ASP A 112 61.319 0.329 -4.110 1.00 0.00 C ATOM 1017 CG ASP A 112 62.452 1.331 -4.025 1.00 0.00 C ATOM 1018 OD1 ASP A 112 62.216 2.522 -4.319 1.00 0.00 O ATOM 1019 OD2 ASP A 112 63.577 0.927 -3.663 1.00 0.00 O ATOM 0 H ASP A 112 59.627 2.146 -4.193 1.00 0.00 H new ATOM 0 HA ASP A 112 61.046 0.703 -6.206 1.00 0.00 H new ATOM 0 HB2 ASP A 112 60.720 0.385 -3.201 1.00 0.00 H new ATOM 0 HB3 ASP A 112 61.732 -0.679 -4.158 1.00 0.00 H new ATOM 1024 N CYS A 113 58.232 -0.490 -5.249 1.00 0.00 N ATOM 1025 CA CYS A 113 57.266 -1.566 -5.422 1.00 0.00 C ATOM 1026 C CYS A 113 56.604 -1.485 -6.793 1.00 0.00 C ATOM 1027 O CYS A 113 56.784 -0.512 -7.524 1.00 0.00 O ATOM 1028 CB CYS A 113 56.200 -1.494 -4.327 1.00 0.00 C ATOM 1029 SG CYS A 113 55.501 -3.097 -3.863 1.00 0.00 S ATOM 0 H CYS A 113 57.836 0.375 -4.881 1.00 0.00 H new ATOM 0 HA CYS A 113 57.795 -2.516 -5.349 1.00 0.00 H new ATOM 0 HB2 CYS A 113 56.636 -1.031 -3.442 1.00 0.00 H new ATOM 0 HB3 CYS A 113 55.393 -0.843 -4.663 1.00 0.00 H new ATOM 0 HG CYS A 113 54.612 -2.929 -2.930 1.00 0.00 H new ATOM 1035 N SER A 114 55.831 -2.512 -7.130 1.00 0.00 N ATOM 1036 CA SER A 114 55.133 -2.554 -8.410 1.00 0.00 C ATOM 1037 C SER A 114 54.062 -1.466 -8.491 1.00 0.00 C ATOM 1038 O SER A 114 53.492 -1.226 -9.556 1.00 0.00 O ATOM 1039 CB SER A 114 54.503 -3.933 -8.623 1.00 0.00 C ATOM 1040 OG SER A 114 53.181 -3.980 -8.113 1.00 0.00 O ATOM 0 H SER A 114 55.672 -3.325 -6.535 1.00 0.00 H new ATOM 0 HA SER A 114 55.862 -2.370 -9.199 1.00 0.00 H new ATOM 0 HB2 SER A 114 54.493 -4.170 -9.687 1.00 0.00 H new ATOM 0 HB3 SER A 114 55.111 -4.693 -8.133 1.00 0.00 H new ATOM 0 HG SER A 114 52.803 -4.872 -8.265 1.00 0.00 H new ATOM 1046 N SER A 115 53.791 -0.807 -7.365 1.00 0.00 N ATOM 1047 CA SER A 115 52.793 0.253 -7.323 1.00 0.00 C ATOM 1048 C SER A 115 53.148 1.365 -8.303 1.00 0.00 C ATOM 1049 O SER A 115 52.268 2.044 -8.832 1.00 0.00 O ATOM 1050 CB SER A 115 52.679 0.820 -5.908 1.00 0.00 C ATOM 1051 OG SER A 115 51.331 1.113 -5.581 1.00 0.00 O ATOM 0 H SER A 115 54.250 -0.990 -6.473 1.00 0.00 H new ATOM 0 HA SER A 115 51.832 -0.172 -7.612 1.00 0.00 H new ATOM 0 HB2 SER A 115 53.082 0.103 -5.192 1.00 0.00 H new ATOM 0 HB3 SER A 115 53.281 1.725 -5.826 1.00 0.00 H new ATOM 0 HG SER A 115 51.306 1.776 -4.860 1.00 0.00 H new ATOM 1057 N ALA A 116 54.448 1.543 -8.544 1.00 0.00 N ATOM 1058 CA ALA A 116 54.929 2.570 -9.467 1.00 0.00 C ATOM 1059 C ALA A 116 54.079 2.617 -10.736 1.00 0.00 C ATOM 1060 O ALA A 116 53.915 3.675 -11.345 1.00 0.00 O ATOM 1061 CB ALA A 116 56.389 2.325 -9.813 1.00 0.00 C ATOM 0 H ALA A 116 55.187 0.988 -8.112 1.00 0.00 H new ATOM 0 HA ALA A 116 54.842 3.537 -8.971 1.00 0.00 H new ATOM 0 HB1 ALA A 116 56.734 3.097 -10.501 1.00 0.00 H new ATOM 0 HB2 ALA A 116 56.989 2.355 -8.903 1.00 0.00 H new ATOM 0 HB3 ALA A 116 56.492 1.347 -10.283 1.00 0.00 H new ATOM 1067 N LYS A 117 53.528 1.466 -11.120 1.00 0.00 N ATOM 1068 CA LYS A 117 52.679 1.380 -12.307 1.00 0.00 C ATOM 1069 C LYS A 117 51.568 2.425 -12.232 1.00 0.00 C ATOM 1070 O LYS A 117 51.362 3.199 -13.166 1.00 0.00 O ATOM 1071 CB LYS A 117 52.095 -0.037 -12.432 1.00 0.00 C ATOM 1072 CG LYS A 117 50.672 -0.096 -12.976 1.00 0.00 C ATOM 1073 CD LYS A 117 50.593 0.431 -14.399 1.00 0.00 C ATOM 1074 CE LYS A 117 49.306 0.000 -15.082 1.00 0.00 C ATOM 1075 NZ LYS A 117 49.546 -0.479 -16.471 1.00 0.00 N ATOM 0 H LYS A 117 53.654 0.582 -10.627 1.00 0.00 H new ATOM 0 HA LYS A 117 53.278 1.583 -13.195 1.00 0.00 H new ATOM 0 HB2 LYS A 117 52.742 -0.626 -13.082 1.00 0.00 H new ATOM 0 HB3 LYS A 117 52.114 -0.510 -11.450 1.00 0.00 H new ATOM 0 HG2 LYS A 117 50.314 -1.125 -12.949 1.00 0.00 H new ATOM 0 HG3 LYS A 117 50.012 0.488 -12.334 1.00 0.00 H new ATOM 0 HD2 LYS A 117 50.654 1.519 -14.389 1.00 0.00 H new ATOM 0 HD3 LYS A 117 51.448 0.069 -14.970 1.00 0.00 H new ATOM 0 HE2 LYS A 117 48.835 -0.793 -14.501 1.00 0.00 H new ATOM 0 HE3 LYS A 117 48.608 0.837 -15.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 48.643 -0.763 -16.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 49.972 0.285 -17.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 50.191 -1.294 -16.450 1.00 0.00 H new ATOM 1089 N ALA A 118 50.871 2.451 -11.102 1.00 0.00 N ATOM 1090 CA ALA A 118 49.797 3.410 -10.888 1.00 0.00 C ATOM 1091 C ALA A 118 50.290 4.575 -10.036 1.00 0.00 C ATOM 1092 O ALA A 118 49.502 5.280 -9.407 1.00 0.00 O ATOM 1093 CB ALA A 118 48.605 2.734 -10.228 1.00 0.00 C ATOM 0 H ALA A 118 51.032 1.817 -10.319 1.00 0.00 H new ATOM 0 HA ALA A 118 49.480 3.798 -11.856 1.00 0.00 H new ATOM 0 HB1 ALA A 118 47.811 3.465 -10.075 1.00 0.00 H new ATOM 0 HB2 ALA A 118 48.241 1.931 -10.869 1.00 0.00 H new ATOM 0 HB3 ALA A 118 48.908 2.321 -9.266 1.00 0.00 H new ATOM 1099 N ARG A 119 51.608 4.768 -10.029 1.00 0.00 N ATOM 1100 CA ARG A 119 52.231 5.841 -9.265 1.00 0.00 C ATOM 1101 C ARG A 119 51.897 5.720 -7.780 1.00 0.00 C ATOM 1102 O ARG A 119 51.673 6.724 -7.102 1.00 0.00 O ATOM 1103 CB ARG A 119 51.797 7.213 -9.794 1.00 0.00 C ATOM 1104 CG ARG A 119 51.355 7.220 -11.254 1.00 0.00 C ATOM 1105 CD ARG A 119 52.310 8.026 -12.122 1.00 0.00 C ATOM 1106 NE ARG A 119 52.051 9.462 -12.036 1.00 0.00 N ATOM 1107 CZ ARG A 119 51.134 10.096 -12.765 1.00 0.00 C ATOM 1108 NH1 ARG A 119 50.379 9.427 -13.628 1.00 0.00 N ATOM 1109 NH2 ARG A 119 50.968 11.405 -12.627 1.00 0.00 N ATOM 0 H ARG A 119 52.267 4.189 -10.549 1.00 0.00 H new ATOM 0 HA ARG A 119 53.310 5.749 -9.385 1.00 0.00 H new ATOM 0 HB2 ARG A 119 50.977 7.582 -9.178 1.00 0.00 H new ATOM 0 HB3 ARG A 119 52.625 7.912 -9.675 1.00 0.00 H new ATOM 0 HG2 ARG A 119 51.302 6.196 -11.624 1.00 0.00 H new ATOM 0 HG3 ARG A 119 50.352 7.639 -11.329 1.00 0.00 H new ATOM 0 HD2 ARG A 119 53.336 7.824 -11.815 1.00 0.00 H new ATOM 0 HD3 ARG A 119 52.218 7.703 -13.159 1.00 0.00 H new ATOM 0 HE ARG A 119 52.605 10.011 -11.379 1.00 0.00 H new ATOM 0 HH11 ARG A 119 50.499 8.420 -13.737 1.00 0.00 H new ATOM 0 HH12 ARG A 119 49.679 9.920 -14.182 1.00 0.00 H new ATOM 0 HH21 ARG A 119 51.542 11.925 -11.963 1.00 0.00 H new ATOM 0 HH22 ARG A 119 50.266 11.892 -13.185 1.00 0.00 H new ATOM 1123 N GLY A 120 51.875 4.489 -7.281 1.00 0.00 N ATOM 1124 CA GLY A 120 51.577 4.262 -5.878 1.00 0.00 C ATOM 1125 C GLY A 120 50.143 3.827 -5.642 1.00 0.00 C ATOM 1126 O GLY A 120 49.879 2.974 -4.796 1.00 0.00 O ATOM 0 H GLY A 120 52.058 3.644 -7.822 1.00 0.00 H new ATOM 0 HA2 GLY A 120 52.251 3.500 -5.487 1.00 0.00 H new ATOM 0 HA3 GLY A 120 51.771 5.177 -5.318 1.00 0.00 H new ATOM 1130 N ASP A 121 49.217 4.417 -6.389 1.00 0.00 N ATOM 1131 CA ASP A 121 47.802 4.087 -6.253 1.00 0.00 C ATOM 1132 C ASP A 121 47.551 2.615 -6.564 1.00 0.00 C ATOM 1133 O ASP A 121 47.718 2.173 -7.701 1.00 0.00 O ATOM 1134 CB ASP A 121 46.962 4.966 -7.182 1.00 0.00 C ATOM 1135 CG ASP A 121 45.626 5.342 -6.570 1.00 0.00 C ATOM 1136 OD1 ASP A 121 45.550 5.443 -5.327 1.00 0.00 O ATOM 1137 OD2 ASP A 121 44.658 5.540 -7.334 1.00 0.00 O ATOM 0 H ASP A 121 49.419 5.125 -7.094 1.00 0.00 H new ATOM 0 HA ASP A 121 47.509 4.275 -5.220 1.00 0.00 H new ATOM 0 HB2 ASP A 121 47.518 5.873 -7.420 1.00 0.00 H new ATOM 0 HB3 ASP A 121 46.793 4.440 -8.121 1.00 0.00 H new ATOM 1142 N LEU A 122 47.143 1.860 -5.548 1.00 0.00 N ATOM 1143 CA LEU A 122 46.862 0.438 -5.717 1.00 0.00 C ATOM 1144 C LEU A 122 45.369 0.200 -5.917 1.00 0.00 C ATOM 1145 O LEU A 122 44.864 -0.890 -5.652 1.00 0.00 O ATOM 1146 CB LEU A 122 47.351 -0.359 -4.504 1.00 0.00 C ATOM 1147 CG LEU A 122 48.584 0.215 -3.798 1.00 0.00 C ATOM 1148 CD1 LEU A 122 48.181 0.936 -2.521 1.00 0.00 C ATOM 1149 CD2 LEU A 122 49.590 -0.888 -3.495 1.00 0.00 C ATOM 0 H LEU A 122 47.000 2.209 -4.600 1.00 0.00 H new ATOM 0 HA LEU A 122 47.396 0.098 -6.604 1.00 0.00 H new ATOM 0 HB2 LEU A 122 46.537 -0.426 -3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 122 47.577 -1.376 -4.825 1.00 0.00 H new ATOM 0 HG LEU A 122 49.056 0.936 -4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 122 49.070 1.337 -2.034 1.00 0.00 H new ATOM 0 HD12 LEU A 122 47.501 1.752 -2.763 1.00 0.00 H new ATOM 0 HD13 LEU A 122 47.683 0.236 -1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 122 50.458 -0.461 -2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 122 49.128 -1.634 -2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 122 49.904 -1.360 -4.426 1.00 0.00 H new ATOM 1161 N GLY A 123 44.665 1.227 -6.384 1.00 0.00 N ATOM 1162 CA GLY A 123 43.238 1.104 -6.605 1.00 0.00 C ATOM 1163 C GLY A 123 42.482 0.781 -5.333 1.00 0.00 C ATOM 1164 O GLY A 123 43.026 0.894 -4.234 1.00 0.00 O ATOM 0 H GLY A 123 45.058 2.140 -6.613 1.00 0.00 H new ATOM 0 HA2 GLY A 123 42.857 2.035 -7.025 1.00 0.00 H new ATOM 0 HA3 GLY A 123 43.053 0.323 -7.342 1.00 0.00 H new ATOM 1168 N ALA A 124 41.227 0.375 -5.481 1.00 0.00 N ATOM 1169 CA ALA A 124 40.396 0.033 -4.333 1.00 0.00 C ATOM 1170 C ALA A 124 40.595 -1.422 -3.927 1.00 0.00 C ATOM 1171 O ALA A 124 40.434 -2.331 -4.741 1.00 0.00 O ATOM 1172 CB ALA A 124 38.931 0.298 -4.646 1.00 0.00 C ATOM 0 H ALA A 124 40.763 0.275 -6.384 1.00 0.00 H new ATOM 0 HA ALA A 124 40.698 0.662 -3.496 1.00 0.00 H new ATOM 0 HB1 ALA A 124 38.321 0.038 -3.781 1.00 0.00 H new ATOM 0 HB2 ALA A 124 38.795 1.353 -4.883 1.00 0.00 H new ATOM 0 HB3 ALA A 124 38.626 -0.308 -5.499 1.00 0.00 H new ATOM 1178 N PHE A 125 40.941 -1.638 -2.662 1.00 0.00 N ATOM 1179 CA PHE A 125 41.153 -2.988 -2.151 1.00 0.00 C ATOM 1180 C PHE A 125 40.200 -3.289 -1.010 1.00 0.00 C ATOM 1181 O PHE A 125 39.475 -2.414 -0.540 1.00 0.00 O ATOM 1182 CB PHE A 125 42.591 -3.177 -1.669 1.00 0.00 C ATOM 1183 CG PHE A 125 43.143 -1.996 -0.923 1.00 0.00 C ATOM 1184 CD1 PHE A 125 43.571 -0.867 -1.599 1.00 0.00 C ATOM 1185 CD2 PHE A 125 43.230 -2.021 0.459 1.00 0.00 C ATOM 1186 CE1 PHE A 125 44.078 0.218 -0.910 1.00 0.00 C ATOM 1187 CE2 PHE A 125 43.736 -0.941 1.155 1.00 0.00 C ATOM 1188 CZ PHE A 125 44.161 0.181 0.470 1.00 0.00 C ATOM 0 H PHE A 125 41.080 -0.898 -1.974 1.00 0.00 H new ATOM 0 HA PHE A 125 40.961 -3.679 -2.972 1.00 0.00 H new ATOM 0 HB2 PHE A 125 42.635 -4.055 -1.024 1.00 0.00 H new ATOM 0 HB3 PHE A 125 43.228 -3.381 -2.529 1.00 0.00 H new ATOM 0 HD1 PHE A 125 43.508 -0.834 -2.677 1.00 0.00 H new ATOM 0 HD2 PHE A 125 42.898 -2.896 0.999 1.00 0.00 H new ATOM 0 HE1 PHE A 125 44.409 1.094 -1.448 1.00 0.00 H new ATOM 0 HE2 PHE A 125 43.799 -0.973 2.233 1.00 0.00 H new ATOM 0 HZ PHE A 125 44.557 1.028 1.011 1.00 0.00 H new ATOM 1198 N SER A 126 40.206 -4.537 -0.572 1.00 0.00 N ATOM 1199 CA SER A 126 39.335 -4.966 0.516 1.00 0.00 C ATOM 1200 C SER A 126 40.139 -5.437 1.721 1.00 0.00 C ATOM 1201 O SER A 126 41.216 -6.019 1.577 1.00 0.00 O ATOM 1202 CB SER A 126 38.406 -6.086 0.043 1.00 0.00 C ATOM 1203 OG SER A 126 37.577 -5.647 -1.020 1.00 0.00 O ATOM 0 H SER A 126 40.803 -5.272 -0.951 1.00 0.00 H new ATOM 0 HA SER A 126 38.739 -4.106 0.820 1.00 0.00 H new ATOM 0 HB2 SER A 126 38.999 -6.941 -0.283 1.00 0.00 H new ATOM 0 HB3 SER A 126 37.788 -6.425 0.874 1.00 0.00 H new ATOM 0 HG SER A 126 36.994 -6.381 -1.305 1.00 0.00 H new ATOM 1209 N ARG A 127 39.599 -5.187 2.909 1.00 0.00 N ATOM 1210 CA ARG A 127 40.245 -5.588 4.159 1.00 0.00 C ATOM 1211 C ARG A 127 40.767 -7.024 4.069 1.00 0.00 C ATOM 1212 O ARG A 127 40.086 -7.912 3.556 1.00 0.00 O ATOM 1213 CB ARG A 127 39.247 -5.445 5.322 1.00 0.00 C ATOM 1214 CG ARG A 127 39.541 -6.318 6.539 1.00 0.00 C ATOM 1215 CD ARG A 127 40.332 -5.567 7.599 1.00 0.00 C ATOM 1216 NE ARG A 127 39.660 -5.585 8.897 1.00 0.00 N ATOM 1217 CZ ARG A 127 39.404 -6.697 9.584 1.00 0.00 C ATOM 1218 NH1 ARG A 127 39.778 -7.881 9.112 1.00 0.00 N ATOM 1219 NH2 ARG A 127 38.777 -6.624 10.750 1.00 0.00 N ATOM 0 H ARG A 127 38.709 -4.705 3.035 1.00 0.00 H new ATOM 0 HA ARG A 127 41.100 -4.936 4.339 1.00 0.00 H new ATOM 0 HB2 ARG A 127 39.229 -4.402 5.638 1.00 0.00 H new ATOM 0 HB3 ARG A 127 38.249 -5.684 4.955 1.00 0.00 H new ATOM 0 HG2 ARG A 127 38.603 -6.670 6.968 1.00 0.00 H new ATOM 0 HG3 ARG A 127 40.100 -7.200 6.226 1.00 0.00 H new ATOM 0 HD2 ARG A 127 41.322 -6.013 7.697 1.00 0.00 H new ATOM 0 HD3 ARG A 127 40.477 -4.535 7.280 1.00 0.00 H new ATOM 0 HE ARG A 127 39.370 -4.694 9.300 1.00 0.00 H new ATOM 0 HH11 ARG A 127 40.265 -7.943 8.218 1.00 0.00 H new ATOM 0 HH12 ARG A 127 39.578 -8.728 9.644 1.00 0.00 H new ATOM 0 HH21 ARG A 127 38.491 -5.717 11.120 1.00 0.00 H new ATOM 0 HH22 ARG A 127 38.580 -7.475 11.277 1.00 0.00 H new ATOM 1233 N GLY A 128 41.975 -7.243 4.581 1.00 0.00 N ATOM 1234 CA GLY A 128 42.562 -8.573 4.559 1.00 0.00 C ATOM 1235 C GLY A 128 43.447 -8.818 3.349 1.00 0.00 C ATOM 1236 O GLY A 128 43.961 -9.921 3.167 1.00 0.00 O ATOM 0 H GLY A 128 42.558 -6.525 5.010 1.00 0.00 H new ATOM 0 HA2 GLY A 128 43.149 -8.719 5.466 1.00 0.00 H new ATOM 0 HA3 GLY A 128 41.764 -9.315 4.573 1.00 0.00 H new ATOM 1240 N GLN A 129 43.625 -7.795 2.519 1.00 0.00 N ATOM 1241 CA GLN A 129 44.453 -7.922 1.325 1.00 0.00 C ATOM 1242 C GLN A 129 45.885 -7.474 1.598 1.00 0.00 C ATOM 1243 O GLN A 129 46.835 -8.223 1.366 1.00 0.00 O ATOM 1244 CB GLN A 129 43.861 -7.104 0.176 1.00 0.00 C ATOM 1245 CG GLN A 129 44.520 -7.374 -1.166 1.00 0.00 C ATOM 1246 CD GLN A 129 44.594 -8.853 -1.496 1.00 0.00 C ATOM 1247 OE1 GLN A 129 45.412 -9.583 -0.938 1.00 0.00 O ATOM 1248 NE2 GLN A 129 43.737 -9.301 -2.406 1.00 0.00 N ATOM 0 H GLN A 129 43.209 -6.873 2.650 1.00 0.00 H new ATOM 0 HA GLN A 129 44.471 -8.974 1.042 1.00 0.00 H new ATOM 0 HB2 GLN A 129 42.796 -7.321 0.098 1.00 0.00 H new ATOM 0 HB3 GLN A 129 43.954 -6.044 0.410 1.00 0.00 H new ATOM 0 HG2 GLN A 129 43.964 -6.859 -1.949 1.00 0.00 H new ATOM 0 HG3 GLN A 129 45.527 -6.956 -1.162 1.00 0.00 H new ATOM 0 HE21 GLN A 129 43.076 -8.659 -2.843 1.00 0.00 H new ATOM 0 HE22 GLN A 129 43.740 -10.287 -2.668 1.00 0.00 H new ATOM 1257 N MET A 130 46.035 -6.250 2.093 1.00 0.00 N ATOM 1258 CA MET A 130 47.354 -5.703 2.395 1.00 0.00 C ATOM 1259 C MET A 130 47.706 -5.915 3.866 1.00 0.00 C ATOM 1260 O MET A 130 46.847 -6.268 4.672 1.00 0.00 O ATOM 1261 CB MET A 130 47.401 -4.212 2.055 1.00 0.00 C ATOM 1262 CG MET A 130 48.647 -3.798 1.289 1.00 0.00 C ATOM 1263 SD MET A 130 48.851 -4.707 -0.257 1.00 0.00 S ATOM 1264 CE MET A 130 47.172 -4.701 -0.881 1.00 0.00 C ATOM 0 H MET A 130 45.260 -5.618 2.294 1.00 0.00 H new ATOM 0 HA MET A 130 48.088 -6.230 1.785 1.00 0.00 H new ATOM 0 HB2 MET A 130 46.521 -3.955 1.465 1.00 0.00 H new ATOM 0 HB3 MET A 130 47.345 -3.636 2.979 1.00 0.00 H new ATOM 0 HG2 MET A 130 48.598 -2.731 1.074 1.00 0.00 H new ATOM 0 HG3 MET A 130 49.524 -3.957 1.917 1.00 0.00 H new ATOM 0 HE1 MET A 130 47.164 -5.066 -1.908 1.00 0.00 H new ATOM 0 HE2 MET A 130 46.551 -5.348 -0.261 1.00 0.00 H new ATOM 0 HE3 MET A 130 46.778 -3.685 -0.854 1.00 0.00 H new ATOM 1274 N GLN A 131 48.976 -5.698 4.206 1.00 0.00 N ATOM 1275 CA GLN A 131 49.436 -5.869 5.584 1.00 0.00 C ATOM 1276 C GLN A 131 48.498 -5.168 6.565 1.00 0.00 C ATOM 1277 O GLN A 131 47.849 -4.180 6.223 1.00 0.00 O ATOM 1278 CB GLN A 131 50.867 -5.344 5.751 1.00 0.00 C ATOM 1279 CG GLN A 131 51.125 -4.014 5.062 1.00 0.00 C ATOM 1280 CD GLN A 131 52.493 -3.952 4.410 1.00 0.00 C ATOM 1281 OE1 GLN A 131 53.196 -4.958 4.313 1.00 0.00 O ATOM 1282 NE2 GLN A 131 52.879 -2.764 3.958 1.00 0.00 N ATOM 0 H GLN A 131 49.701 -5.405 3.551 1.00 0.00 H new ATOM 0 HA GLN A 131 49.431 -6.936 5.806 1.00 0.00 H new ATOM 0 HB2 GLN A 131 51.082 -5.238 6.814 1.00 0.00 H new ATOM 0 HB3 GLN A 131 51.563 -6.085 5.358 1.00 0.00 H new ATOM 0 HG2 GLN A 131 50.358 -3.846 4.306 1.00 0.00 H new ATOM 0 HG3 GLN A 131 51.037 -3.208 5.791 1.00 0.00 H new ATOM 0 HE21 GLN A 131 52.265 -1.956 4.059 1.00 0.00 H new ATOM 0 HE22 GLN A 131 53.789 -2.660 3.510 1.00 0.00 H new ATOM 1291 N LYS A 132 48.424 -5.699 7.780 1.00 0.00 N ATOM 1292 CA LYS A 132 47.553 -5.143 8.816 1.00 0.00 C ATOM 1293 C LYS A 132 47.765 -3.638 8.993 1.00 0.00 C ATOM 1294 O LYS A 132 46.821 -2.858 8.867 1.00 0.00 O ATOM 1295 CB LYS A 132 47.766 -5.858 10.159 1.00 0.00 C ATOM 1296 CG LYS A 132 48.107 -7.335 10.036 1.00 0.00 C ATOM 1297 CD LYS A 132 48.086 -8.025 11.391 1.00 0.00 C ATOM 1298 CE LYS A 132 49.246 -7.571 12.263 1.00 0.00 C ATOM 1299 NZ LYS A 132 50.547 -7.644 11.541 1.00 0.00 N ATOM 0 H LYS A 132 48.958 -6.517 8.075 1.00 0.00 H new ATOM 0 HA LYS A 132 46.527 -5.305 8.485 1.00 0.00 H new ATOM 0 HB2 LYS A 132 48.568 -5.356 10.701 1.00 0.00 H new ATOM 0 HB3 LYS A 132 46.862 -5.755 10.759 1.00 0.00 H new ATOM 0 HG2 LYS A 132 47.395 -7.820 9.368 1.00 0.00 H new ATOM 0 HG3 LYS A 132 49.093 -7.446 9.585 1.00 0.00 H new ATOM 0 HD2 LYS A 132 47.144 -7.811 11.896 1.00 0.00 H new ATOM 0 HD3 LYS A 132 48.134 -9.105 11.252 1.00 0.00 H new ATOM 0 HE2 LYS A 132 49.072 -6.547 12.594 1.00 0.00 H new ATOM 0 HE3 LYS A 132 49.292 -8.192 13.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 51.327 -7.610 12.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 50.597 -8.533 11.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 50.626 -6.840 10.886 1.00 0.00 H new ATOM 1313 N PRO A 133 49.003 -3.199 9.295 1.00 0.00 N ATOM 1314 CA PRO A 133 49.301 -1.778 9.493 1.00 0.00 C ATOM 1315 C PRO A 133 48.844 -0.921 8.322 1.00 0.00 C ATOM 1316 O PRO A 133 48.452 0.232 8.501 1.00 0.00 O ATOM 1317 CB PRO A 133 50.832 -1.732 9.636 1.00 0.00 C ATOM 1318 CG PRO A 133 51.316 -3.074 9.193 1.00 0.00 C ATOM 1319 CD PRO A 133 50.199 -4.035 9.475 1.00 0.00 C ATOM 0 HA PRO A 133 48.776 -1.376 10.360 1.00 0.00 H new ATOM 0 HB2 PRO A 133 51.260 -0.939 9.023 1.00 0.00 H new ATOM 0 HB3 PRO A 133 51.124 -1.530 10.667 1.00 0.00 H new ATOM 0 HG2 PRO A 133 51.565 -3.067 8.132 1.00 0.00 H new ATOM 0 HG3 PRO A 133 52.220 -3.359 9.731 1.00 0.00 H new ATOM 0 HD2 PRO A 133 50.209 -4.881 8.788 1.00 0.00 H new ATOM 0 HD3 PRO A 133 50.260 -4.443 10.484 1.00 0.00 H new ATOM 1327 N PHE A 134 48.883 -1.490 7.124 1.00 0.00 N ATOM 1328 CA PHE A 134 48.459 -0.773 5.931 1.00 0.00 C ATOM 1329 C PHE A 134 46.974 -0.462 6.011 1.00 0.00 C ATOM 1330 O PHE A 134 46.569 0.697 6.060 1.00 0.00 O ATOM 1331 CB PHE A 134 48.741 -1.607 4.682 1.00 0.00 C ATOM 1332 CG PHE A 134 48.811 -0.802 3.416 1.00 0.00 C ATOM 1333 CD1 PHE A 134 47.653 -0.458 2.738 1.00 0.00 C ATOM 1334 CD2 PHE A 134 50.032 -0.391 2.903 1.00 0.00 C ATOM 1335 CE1 PHE A 134 47.709 0.282 1.573 1.00 0.00 C ATOM 1336 CE2 PHE A 134 50.096 0.349 1.737 1.00 0.00 C ATOM 1337 CZ PHE A 134 48.929 0.688 1.072 1.00 0.00 C ATOM 0 H PHE A 134 49.203 -2.443 6.954 1.00 0.00 H new ATOM 0 HA PHE A 134 49.020 0.160 5.869 1.00 0.00 H new ATOM 0 HB2 PHE A 134 49.684 -2.137 4.816 1.00 0.00 H new ATOM 0 HB3 PHE A 134 47.962 -2.363 4.578 1.00 0.00 H new ATOM 0 HD1 PHE A 134 46.695 -0.772 3.125 1.00 0.00 H new ATOM 0 HD2 PHE A 134 50.943 -0.652 3.420 1.00 0.00 H new ATOM 0 HE1 PHE A 134 46.798 0.543 1.054 1.00 0.00 H new ATOM 0 HE2 PHE A 134 51.053 0.662 1.346 1.00 0.00 H new ATOM 0 HZ PHE A 134 48.974 1.269 0.163 1.00 0.00 H new ATOM 1347 N GLU A 135 46.170 -1.518 6.031 1.00 0.00 N ATOM 1348 CA GLU A 135 44.718 -1.387 6.107 1.00 0.00 C ATOM 1349 C GLU A 135 44.301 -0.422 7.217 1.00 0.00 C ATOM 1350 O GLU A 135 43.500 0.478 6.987 1.00 0.00 O ATOM 1351 CB GLU A 135 44.081 -2.764 6.333 1.00 0.00 C ATOM 1352 CG GLU A 135 42.595 -2.726 6.665 1.00 0.00 C ATOM 1353 CD GLU A 135 41.717 -2.722 5.431 1.00 0.00 C ATOM 1354 OE1 GLU A 135 42.258 -2.858 4.314 1.00 0.00 O ATOM 1355 OE2 GLU A 135 40.485 -2.583 5.582 1.00 0.00 O ATOM 0 H GLU A 135 46.501 -2.482 5.995 1.00 0.00 H new ATOM 0 HA GLU A 135 44.365 -0.977 5.161 1.00 0.00 H new ATOM 0 HB2 GLU A 135 44.225 -3.368 5.437 1.00 0.00 H new ATOM 0 HB3 GLU A 135 44.609 -3.266 7.144 1.00 0.00 H new ATOM 0 HG2 GLU A 135 42.343 -3.589 7.282 1.00 0.00 H new ATOM 0 HG3 GLU A 135 42.383 -1.837 7.259 1.00 0.00 H new ATOM 1362 N ASP A 136 44.838 -0.616 8.418 1.00 0.00 N ATOM 1363 CA ASP A 136 44.494 0.243 9.547 1.00 0.00 C ATOM 1364 C ASP A 136 44.767 1.709 9.225 1.00 0.00 C ATOM 1365 O ASP A 136 43.849 2.531 9.211 1.00 0.00 O ATOM 1366 CB ASP A 136 45.277 -0.173 10.793 1.00 0.00 C ATOM 1367 CG ASP A 136 44.472 -0.003 12.066 1.00 0.00 C ATOM 1368 OD1 ASP A 136 43.472 -0.733 12.239 1.00 0.00 O ATOM 1369 OD2 ASP A 136 44.840 0.860 12.891 1.00 0.00 O ATOM 0 H ASP A 136 45.508 -1.354 8.634 1.00 0.00 H new ATOM 0 HA ASP A 136 43.428 0.127 9.742 1.00 0.00 H new ATOM 0 HB2 ASP A 136 45.582 -1.215 10.696 1.00 0.00 H new ATOM 0 HB3 ASP A 136 46.188 0.421 10.861 1.00 0.00 H new ATOM 1374 N ALA A 137 46.029 2.034 8.965 1.00 0.00 N ATOM 1375 CA ALA A 137 46.412 3.403 8.640 1.00 0.00 C ATOM 1376 C ALA A 137 45.583 3.936 7.477 1.00 0.00 C ATOM 1377 O ALA A 137 45.045 5.041 7.537 1.00 0.00 O ATOM 1378 CB ALA A 137 47.895 3.473 8.312 1.00 0.00 C ATOM 0 H ALA A 137 46.803 1.369 8.973 1.00 0.00 H new ATOM 0 HA ALA A 137 46.217 4.029 9.511 1.00 0.00 H new ATOM 0 HB1 ALA A 137 48.166 4.501 8.071 1.00 0.00 H new ATOM 0 HB2 ALA A 137 48.474 3.137 9.172 1.00 0.00 H new ATOM 0 HB3 ALA A 137 48.109 2.832 7.457 1.00 0.00 H new ATOM 1384 N SER A 138 45.482 3.135 6.420 1.00 0.00 N ATOM 1385 CA SER A 138 44.715 3.517 5.241 1.00 0.00 C ATOM 1386 C SER A 138 43.251 3.757 5.602 1.00 0.00 C ATOM 1387 O SER A 138 42.691 4.813 5.305 1.00 0.00 O ATOM 1388 CB SER A 138 44.821 2.423 4.171 1.00 0.00 C ATOM 1389 OG SER A 138 45.450 2.908 2.995 1.00 0.00 O ATOM 0 H SER A 138 45.922 2.217 6.357 1.00 0.00 H new ATOM 0 HA SER A 138 45.128 4.445 4.846 1.00 0.00 H new ATOM 0 HB2 SER A 138 45.386 1.579 4.566 1.00 0.00 H new ATOM 0 HB3 SER A 138 43.825 2.053 3.927 1.00 0.00 H new ATOM 0 HG SER A 138 44.849 3.531 2.536 1.00 0.00 H new ATOM 1395 N PHE A 139 42.642 2.766 6.241 1.00 0.00 N ATOM 1396 CA PHE A 139 41.243 2.851 6.647 1.00 0.00 C ATOM 1397 C PHE A 139 41.050 3.824 7.811 1.00 0.00 C ATOM 1398 O PHE A 139 39.917 4.129 8.187 1.00 0.00 O ATOM 1399 CB PHE A 139 40.730 1.461 7.034 1.00 0.00 C ATOM 1400 CG PHE A 139 40.319 0.628 5.852 1.00 0.00 C ATOM 1401 CD1 PHE A 139 41.222 0.356 4.835 1.00 0.00 C ATOM 1402 CD2 PHE A 139 39.036 0.116 5.757 1.00 0.00 C ATOM 1403 CE1 PHE A 139 40.850 -0.410 3.745 1.00 0.00 C ATOM 1404 CE2 PHE A 139 38.658 -0.650 4.669 1.00 0.00 C ATOM 1405 CZ PHE A 139 39.566 -0.914 3.662 1.00 0.00 C ATOM 0 H PHE A 139 43.098 1.888 6.491 1.00 0.00 H new ATOM 0 HA PHE A 139 40.671 3.230 5.801 1.00 0.00 H new ATOM 0 HB2 PHE A 139 41.508 0.935 7.587 1.00 0.00 H new ATOM 0 HB3 PHE A 139 39.879 1.570 7.706 1.00 0.00 H new ATOM 0 HD1 PHE A 139 42.227 0.747 4.895 1.00 0.00 H new ATOM 0 HD2 PHE A 139 38.322 0.317 6.542 1.00 0.00 H new ATOM 0 HE1 PHE A 139 41.562 -0.614 2.959 1.00 0.00 H new ATOM 0 HE2 PHE A 139 37.653 -1.042 4.607 1.00 0.00 H new ATOM 0 HZ PHE A 139 39.273 -1.513 2.812 1.00 0.00 H new ATOM 1415 N ALA A 140 42.151 4.310 8.377 1.00 0.00 N ATOM 1416 CA ALA A 140 42.083 5.246 9.495 1.00 0.00 C ATOM 1417 C ALA A 140 42.321 6.684 9.040 1.00 0.00 C ATOM 1418 O ALA A 140 42.102 7.627 9.802 1.00 0.00 O ATOM 1419 CB ALA A 140 43.090 4.859 10.568 1.00 0.00 C ATOM 0 H ALA A 140 43.098 4.072 8.081 1.00 0.00 H new ATOM 0 HA ALA A 140 41.077 5.192 9.912 1.00 0.00 H new ATOM 0 HB1 ALA A 140 43.029 5.565 11.396 1.00 0.00 H new ATOM 0 HB2 ALA A 140 42.868 3.855 10.930 1.00 0.00 H new ATOM 0 HB3 ALA A 140 44.095 4.879 10.148 1.00 0.00 H new ATOM 1425 N LEU A 141 42.773 6.851 7.800 1.00 0.00 N ATOM 1426 CA LEU A 141 43.041 8.179 7.259 1.00 0.00 C ATOM 1427 C LEU A 141 41.795 8.768 6.607 1.00 0.00 C ATOM 1428 O LEU A 141 40.914 8.038 6.153 1.00 0.00 O ATOM 1429 CB LEU A 141 44.182 8.116 6.236 1.00 0.00 C ATOM 1430 CG LEU A 141 45.606 8.325 6.786 1.00 0.00 C ATOM 1431 CD1 LEU A 141 45.624 8.371 8.308 1.00 0.00 C ATOM 1432 CD2 LEU A 141 46.535 7.230 6.280 1.00 0.00 C ATOM 0 H LEU A 141 42.961 6.085 7.153 1.00 0.00 H new ATOM 0 HA LEU A 141 43.335 8.825 8.086 1.00 0.00 H new ATOM 0 HB2 LEU A 141 44.145 7.145 5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 141 43.997 8.870 5.471 1.00 0.00 H new ATOM 0 HG LEU A 141 45.960 9.290 6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 141 46.646 8.520 8.655 1.00 0.00 H new ATOM 0 HD12 LEU A 141 45.000 9.194 8.655 1.00 0.00 H new ATOM 0 HD13 LEU A 141 45.239 7.432 8.705 1.00 0.00 H new ATOM 0 HD21 LEU A 141 47.537 7.391 6.677 1.00 0.00 H new ATOM 0 HD22 LEU A 141 46.166 6.259 6.610 1.00 0.00 H new ATOM 0 HD23 LEU A 141 46.568 7.255 5.191 1.00 0.00 H new ATOM 1444 N ARG A 142 41.733 10.095 6.561 1.00 0.00 N ATOM 1445 CA ARG A 142 40.601 10.789 5.961 1.00 0.00 C ATOM 1446 C ARG A 142 40.818 10.979 4.463 1.00 0.00 C ATOM 1447 O ARG A 142 41.864 10.615 3.926 1.00 0.00 O ATOM 1448 CB ARG A 142 40.393 12.147 6.639 1.00 0.00 C ATOM 1449 CG ARG A 142 39.118 12.226 7.463 1.00 0.00 C ATOM 1450 CD ARG A 142 38.893 13.629 8.003 1.00 0.00 C ATOM 1451 NE ARG A 142 38.031 13.632 9.182 1.00 0.00 N ATOM 1452 CZ ARG A 142 36.708 13.490 9.135 1.00 0.00 C ATOM 1453 NH1 ARG A 142 36.093 13.329 7.969 1.00 0.00 N ATOM 1454 NH2 ARG A 142 35.999 13.508 10.255 1.00 0.00 N ATOM 0 H ARG A 142 42.455 10.712 6.933 1.00 0.00 H new ATOM 0 HA ARG A 142 39.709 10.180 6.106 1.00 0.00 H new ATOM 0 HB2 ARG A 142 41.246 12.356 7.284 1.00 0.00 H new ATOM 0 HB3 ARG A 142 40.372 12.925 5.876 1.00 0.00 H new ATOM 0 HG2 ARG A 142 38.267 11.930 6.849 1.00 0.00 H new ATOM 0 HG3 ARG A 142 39.174 11.520 8.292 1.00 0.00 H new ATOM 0 HD2 ARG A 142 39.854 14.078 8.256 1.00 0.00 H new ATOM 0 HD3 ARG A 142 38.446 14.249 7.226 1.00 0.00 H new ATOM 0 HE ARG A 142 38.469 13.750 10.096 1.00 0.00 H new ATOM 0 HH11 ARG A 142 36.634 13.314 7.105 1.00 0.00 H new ATOM 0 HH12 ARG A 142 35.079 13.221 7.938 1.00 0.00 H new ATOM 0 HH21 ARG A 142 36.467 13.631 11.153 1.00 0.00 H new ATOM 0 HH22 ARG A 142 34.985 13.399 10.219 1.00 0.00 H new ATOM 1468 N THR A 143 39.822 11.551 3.793 1.00 0.00 N ATOM 1469 CA THR A 143 39.905 11.789 2.356 1.00 0.00 C ATOM 1470 C THR A 143 41.069 12.715 2.021 1.00 0.00 C ATOM 1471 O THR A 143 41.050 13.901 2.350 1.00 0.00 O ATOM 1472 CB THR A 143 38.597 12.390 1.840 1.00 0.00 C ATOM 1473 OG1 THR A 143 37.487 11.627 2.275 1.00 0.00 O ATOM 1474 CG2 THR A 143 38.531 12.477 0.332 1.00 0.00 C ATOM 0 H THR A 143 38.949 11.858 4.222 1.00 0.00 H new ATOM 0 HA THR A 143 40.075 10.830 1.866 1.00 0.00 H new ATOM 0 HB THR A 143 38.565 13.400 2.247 1.00 0.00 H new ATOM 0 HG1 THR A 143 36.660 12.029 1.936 1.00 0.00 H new ATOM 0 HG21 THR A 143 37.577 12.912 0.034 1.00 0.00 H new ATOM 0 HG22 THR A 143 39.345 13.103 -0.032 1.00 0.00 H new ATOM 0 HG23 THR A 143 38.623 11.478 -0.094 1.00 0.00 H new ATOM 1482 N GLY A 144 42.084 12.165 1.361 1.00 0.00 N ATOM 1483 CA GLY A 144 43.242 12.956 0.988 1.00 0.00 C ATOM 1484 C GLY A 144 44.263 13.064 2.104 1.00 0.00 C ATOM 1485 O GLY A 144 44.995 14.049 2.188 1.00 0.00 O ATOM 0 H GLY A 144 42.125 11.186 1.078 1.00 0.00 H new ATOM 0 HA2 GLY A 144 43.714 12.511 0.112 1.00 0.00 H new ATOM 0 HA3 GLY A 144 42.916 13.956 0.701 1.00 0.00 H new ATOM 1489 N GLU A 145 44.316 12.048 2.960 1.00 0.00 N ATOM 1490 CA GLU A 145 45.257 12.037 4.073 1.00 0.00 C ATOM 1491 C GLU A 145 46.438 11.120 3.775 1.00 0.00 C ATOM 1492 O GLU A 145 46.376 10.294 2.865 1.00 0.00 O ATOM 1493 CB GLU A 145 44.559 11.591 5.357 1.00 0.00 C ATOM 1494 CG GLU A 145 43.981 12.740 6.167 1.00 0.00 C ATOM 1495 CD GLU A 145 44.584 12.838 7.555 1.00 0.00 C ATOM 1496 OE1 GLU A 145 45.808 12.628 7.687 1.00 0.00 O ATOM 1497 OE2 GLU A 145 43.833 13.126 8.509 1.00 0.00 O ATOM 0 H GLU A 145 43.719 11.223 2.904 1.00 0.00 H new ATOM 0 HA GLU A 145 45.632 13.051 4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 145 43.757 10.898 5.103 1.00 0.00 H new ATOM 0 HB3 GLU A 145 45.270 11.043 5.975 1.00 0.00 H new ATOM 0 HG2 GLU A 145 44.150 13.676 5.635 1.00 0.00 H new ATOM 0 HG3 GLU A 145 42.902 12.613 6.252 1.00 0.00 H new ATOM 1504 N MET A 146 47.512 11.272 4.545 1.00 0.00 N ATOM 1505 CA MET A 146 48.710 10.457 4.363 1.00 0.00 C ATOM 1506 C MET A 146 49.168 9.852 5.687 1.00 0.00 C ATOM 1507 O MET A 146 49.163 10.519 6.722 1.00 0.00 O ATOM 1508 CB MET A 146 49.835 11.297 3.754 1.00 0.00 C ATOM 1509 CG MET A 146 51.150 10.548 3.606 1.00 0.00 C ATOM 1510 SD MET A 146 52.534 11.403 4.385 1.00 0.00 S ATOM 1511 CE MET A 146 52.393 13.023 3.634 1.00 0.00 C ATOM 0 H MET A 146 47.577 11.953 5.302 1.00 0.00 H new ATOM 0 HA MET A 146 48.464 9.643 3.682 1.00 0.00 H new ATOM 0 HB2 MET A 146 49.519 11.654 2.774 1.00 0.00 H new ATOM 0 HB3 MET A 146 49.997 12.177 4.377 1.00 0.00 H new ATOM 0 HG2 MET A 146 51.049 9.555 4.045 1.00 0.00 H new ATOM 0 HG3 MET A 146 51.366 10.408 2.547 1.00 0.00 H new ATOM 0 HE1 MET A 146 53.160 13.137 2.868 1.00 0.00 H new ATOM 0 HE2 MET A 146 51.408 13.129 3.179 1.00 0.00 H new ATOM 0 HE3 MET A 146 52.525 13.790 4.397 1.00 0.00 H new ATOM 1521 N SER A 147 49.565 8.584 5.642 1.00 0.00 N ATOM 1522 CA SER A 147 50.030 7.885 6.834 1.00 0.00 C ATOM 1523 C SER A 147 51.537 8.045 7.001 1.00 0.00 C ATOM 1524 O SER A 147 52.292 7.933 6.036 1.00 0.00 O ATOM 1525 CB SER A 147 49.663 6.399 6.753 1.00 0.00 C ATOM 1526 OG SER A 147 50.743 5.626 6.254 1.00 0.00 O ATOM 0 H SER A 147 49.574 8.020 4.792 1.00 0.00 H new ATOM 0 HA SER A 147 49.539 8.324 7.702 1.00 0.00 H new ATOM 0 HB2 SER A 147 49.381 6.038 7.742 1.00 0.00 H new ATOM 0 HB3 SER A 147 48.794 6.272 6.108 1.00 0.00 H new ATOM 0 HG SER A 147 50.713 4.729 6.648 1.00 0.00 H new ATOM 1532 N GLY A 148 51.970 8.302 8.231 1.00 0.00 N ATOM 1533 CA GLY A 148 53.386 8.468 8.496 1.00 0.00 C ATOM 1534 C GLY A 148 54.195 7.251 8.086 1.00 0.00 C ATOM 1535 O GLY A 148 53.628 6.230 7.697 1.00 0.00 O ATOM 0 H GLY A 148 51.366 8.398 9.047 1.00 0.00 H new ATOM 0 HA2 GLY A 148 53.754 9.343 7.960 1.00 0.00 H new ATOM 0 HA3 GLY A 148 53.535 8.659 9.559 1.00 0.00 H new ATOM 1539 N PRO A 149 55.536 7.325 8.162 1.00 0.00 N ATOM 1540 CA PRO A 149 56.410 6.208 7.793 1.00 0.00 C ATOM 1541 C PRO A 149 55.975 4.895 8.436 1.00 0.00 C ATOM 1542 O PRO A 149 55.991 4.757 9.660 1.00 0.00 O ATOM 1543 CB PRO A 149 57.777 6.640 8.325 1.00 0.00 C ATOM 1544 CG PRO A 149 57.729 8.130 8.319 1.00 0.00 C ATOM 1545 CD PRO A 149 56.302 8.502 8.616 1.00 0.00 C ATOM 0 HA PRO A 149 56.397 6.015 6.720 1.00 0.00 H new ATOM 0 HB2 PRO A 149 57.952 6.253 9.329 1.00 0.00 H new ATOM 0 HB3 PRO A 149 58.584 6.267 7.694 1.00 0.00 H new ATOM 0 HG2 PRO A 149 58.404 8.545 9.068 1.00 0.00 H new ATOM 0 HG3 PRO A 149 58.042 8.526 7.353 1.00 0.00 H new ATOM 0 HD2 PRO A 149 56.150 8.694 9.678 1.00 0.00 H new ATOM 0 HD3 PRO A 149 56.004 9.405 8.083 1.00 0.00 H new ATOM 1553 N VAL A 150 55.585 3.935 7.605 1.00 0.00 N ATOM 1554 CA VAL A 150 55.143 2.633 8.094 1.00 0.00 C ATOM 1555 C VAL A 150 56.188 1.560 7.818 1.00 0.00 C ATOM 1556 O VAL A 150 56.469 1.234 6.665 1.00 0.00 O ATOM 1557 CB VAL A 150 53.809 2.213 7.450 1.00 0.00 C ATOM 1558 CG1 VAL A 150 53.263 0.962 8.118 1.00 0.00 C ATOM 1559 CG2 VAL A 150 52.799 3.349 7.522 1.00 0.00 C ATOM 0 H VAL A 150 55.566 4.033 6.590 1.00 0.00 H new ATOM 0 HA VAL A 150 55.002 2.731 9.170 1.00 0.00 H new ATOM 0 HB VAL A 150 53.991 1.985 6.400 1.00 0.00 H new ATOM 0 HG11 VAL A 150 52.320 0.681 7.649 1.00 0.00 H new ATOM 0 HG12 VAL A 150 53.980 0.148 8.008 1.00 0.00 H new ATOM 0 HG13 VAL A 150 53.097 1.158 9.177 1.00 0.00 H new ATOM 0 HG21 VAL A 150 51.863 3.033 7.062 1.00 0.00 H new ATOM 0 HG22 VAL A 150 52.620 3.612 8.565 1.00 0.00 H new ATOM 0 HG23 VAL A 150 53.189 4.217 6.991 1.00 0.00 H new ATOM 1569 N PHE A 151 56.764 1.020 8.885 1.00 0.00 N ATOM 1570 CA PHE A 151 57.784 -0.014 8.765 1.00 0.00 C ATOM 1571 C PHE A 151 57.156 -1.400 8.657 1.00 0.00 C ATOM 1572 O PHE A 151 56.543 -1.891 9.603 1.00 0.00 O ATOM 1573 CB PHE A 151 58.728 0.043 9.965 1.00 0.00 C ATOM 1574 CG PHE A 151 59.528 1.309 10.028 1.00 0.00 C ATOM 1575 CD1 PHE A 151 58.944 2.494 10.448 1.00 0.00 C ATOM 1576 CD2 PHE A 151 60.863 1.317 9.663 1.00 0.00 C ATOM 1577 CE1 PHE A 151 59.680 3.662 10.506 1.00 0.00 C ATOM 1578 CE2 PHE A 151 61.605 2.482 9.716 1.00 0.00 C ATOM 1579 CZ PHE A 151 61.012 3.656 10.139 1.00 0.00 C ATOM 0 H PHE A 151 56.541 1.282 9.845 1.00 0.00 H new ATOM 0 HA PHE A 151 58.350 0.171 7.852 1.00 0.00 H new ATOM 0 HB2 PHE A 151 58.147 -0.058 10.881 1.00 0.00 H new ATOM 0 HB3 PHE A 151 59.409 -0.807 9.924 1.00 0.00 H new ATOM 0 HD1 PHE A 151 57.902 2.504 10.733 1.00 0.00 H new ATOM 0 HD2 PHE A 151 61.331 0.401 9.333 1.00 0.00 H new ATOM 0 HE1 PHE A 151 59.215 4.578 10.838 1.00 0.00 H new ATOM 0 HE2 PHE A 151 62.646 2.475 9.427 1.00 0.00 H new ATOM 0 HZ PHE A 151 61.589 4.568 10.183 1.00 0.00 H new ATOM 1589 N THR A 152 57.320 -2.025 7.495 1.00 0.00 N ATOM 1590 CA THR A 152 56.776 -3.353 7.257 1.00 0.00 C ATOM 1591 C THR A 152 57.842 -4.277 6.678 1.00 0.00 C ATOM 1592 O THR A 152 58.971 -3.855 6.424 1.00 0.00 O ATOM 1593 CB THR A 152 55.580 -3.276 6.307 1.00 0.00 C ATOM 1594 OG1 THR A 152 55.921 -2.576 5.124 1.00 0.00 O ATOM 1595 CG2 THR A 152 54.377 -2.586 6.917 1.00 0.00 C ATOM 0 H THR A 152 57.827 -1.630 6.703 1.00 0.00 H new ATOM 0 HA THR A 152 56.444 -3.761 8.212 1.00 0.00 H new ATOM 0 HB THR A 152 55.317 -4.311 6.090 1.00 0.00 H new ATOM 0 HG1 THR A 152 56.111 -3.217 4.408 1.00 0.00 H new ATOM 0 HG21 THR A 152 53.563 -2.564 6.192 1.00 0.00 H new ATOM 0 HG22 THR A 152 54.057 -3.130 7.805 1.00 0.00 H new ATOM 0 HG23 THR A 152 54.644 -1.566 7.193 1.00 0.00 H new ATOM 1603 N ASP A 153 57.477 -5.541 6.478 1.00 0.00 N ATOM 1604 CA ASP A 153 58.394 -6.542 5.936 1.00 0.00 C ATOM 1605 C ASP A 153 59.231 -5.987 4.783 1.00 0.00 C ATOM 1606 O ASP A 153 60.445 -6.182 4.737 1.00 0.00 O ATOM 1607 CB ASP A 153 57.609 -7.767 5.462 1.00 0.00 C ATOM 1608 CG ASP A 153 57.386 -8.776 6.571 1.00 0.00 C ATOM 1609 OD1 ASP A 153 57.092 -8.351 7.708 1.00 0.00 O ATOM 1610 OD2 ASP A 153 57.503 -9.989 6.303 1.00 0.00 O ATOM 0 H ASP A 153 56.545 -5.899 6.685 1.00 0.00 H new ATOM 0 HA ASP A 153 59.078 -6.827 6.735 1.00 0.00 H new ATOM 0 HB2 ASP A 153 56.645 -7.447 5.067 1.00 0.00 H new ATOM 0 HB3 ASP A 153 58.146 -8.245 4.643 1.00 0.00 H new ATOM 1615 N SER A 154 58.573 -5.304 3.853 1.00 0.00 N ATOM 1616 CA SER A 154 59.259 -4.733 2.698 1.00 0.00 C ATOM 1617 C SER A 154 60.151 -3.558 3.096 1.00 0.00 C ATOM 1618 O SER A 154 61.272 -3.430 2.604 1.00 0.00 O ATOM 1619 CB SER A 154 58.242 -4.284 1.648 1.00 0.00 C ATOM 1620 OG SER A 154 57.017 -3.906 2.253 1.00 0.00 O ATOM 0 H SER A 154 57.568 -5.132 3.875 1.00 0.00 H new ATOM 0 HA SER A 154 59.897 -5.510 2.276 1.00 0.00 H new ATOM 0 HB2 SER A 154 58.646 -3.445 1.082 1.00 0.00 H new ATOM 0 HB3 SER A 154 58.066 -5.092 0.938 1.00 0.00 H new ATOM 0 HG SER A 154 57.048 -2.955 2.489 1.00 0.00 H new ATOM 1626 N GLY A 155 59.652 -2.703 3.984 1.00 0.00 N ATOM 1627 CA GLY A 155 60.430 -1.555 4.420 1.00 0.00 C ATOM 1628 C GLY A 155 59.566 -0.438 4.973 1.00 0.00 C ATOM 1629 O GLY A 155 58.696 -0.678 5.807 1.00 0.00 O ATOM 0 H GLY A 155 58.728 -2.783 4.408 1.00 0.00 H new ATOM 0 HA2 GLY A 155 61.140 -1.872 5.184 1.00 0.00 H new ATOM 0 HA3 GLY A 155 61.013 -1.176 3.580 1.00 0.00 H new ATOM 1633 N ILE A 156 59.802 0.786 4.509 1.00 0.00 N ATOM 1634 CA ILE A 156 59.032 1.934 4.971 1.00 0.00 C ATOM 1635 C ILE A 156 58.015 2.364 3.920 1.00 0.00 C ATOM 1636 O ILE A 156 58.381 2.722 2.801 1.00 0.00 O ATOM 1637 CB ILE A 156 59.944 3.130 5.309 1.00 0.00 C ATOM 1638 CG1 ILE A 156 61.046 2.696 6.281 1.00 0.00 C ATOM 1639 CG2 ILE A 156 59.126 4.270 5.900 1.00 0.00 C ATOM 1640 CD1 ILE A 156 61.926 3.836 6.750 1.00 0.00 C ATOM 0 H ILE A 156 60.517 1.007 3.816 1.00 0.00 H new ATOM 0 HA ILE A 156 58.511 1.623 5.877 1.00 0.00 H new ATOM 0 HB ILE A 156 60.412 3.485 4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 156 60.587 2.222 7.149 1.00 0.00 H new ATOM 0 HG13 ILE A 156 61.669 1.943 5.798 1.00 0.00 H new ATOM 0 HG21 ILE A 156 59.784 5.107 6.133 1.00 0.00 H new ATOM 0 HG22 ILE A 156 58.374 4.590 5.179 1.00 0.00 H new ATOM 0 HG23 ILE A 156 58.634 3.930 6.811 1.00 0.00 H new ATOM 0 HD11 ILE A 156 62.683 3.453 7.435 1.00 0.00 H new ATOM 0 HD12 ILE A 156 62.414 4.296 5.891 1.00 0.00 H new ATOM 0 HD13 ILE A 156 61.316 4.580 7.262 1.00 0.00 H new ATOM 1652 N HIS A 157 56.733 2.319 4.279 1.00 0.00 N ATOM 1653 CA HIS A 157 55.677 2.701 3.349 1.00 0.00 C ATOM 1654 C HIS A 157 54.813 3.833 3.885 1.00 0.00 C ATOM 1655 O HIS A 157 54.487 3.886 5.071 1.00 0.00 O ATOM 1656 CB HIS A 157 54.767 1.518 3.032 1.00 0.00 C ATOM 1657 CG HIS A 157 55.476 0.331 2.460 1.00 0.00 C ATOM 1658 ND1 HIS A 157 54.990 -0.385 1.388 1.00 0.00 N ATOM 1659 CD2 HIS A 157 56.634 -0.270 2.818 1.00 0.00 C ATOM 1660 CE1 HIS A 157 55.816 -1.373 1.109 1.00 0.00 C ATOM 1661 NE2 HIS A 157 56.822 -1.326 1.961 1.00 0.00 N ATOM 0 H HIS A 157 56.405 2.024 5.199 1.00 0.00 H new ATOM 0 HA HIS A 157 56.185 3.040 2.446 1.00 0.00 H new ATOM 0 HB2 HIS A 157 54.254 1.215 3.945 1.00 0.00 H new ATOM 0 HB3 HIS A 157 54.001 1.843 2.328 1.00 0.00 H new ATOM 0 HD1 HIS A 157 54.125 -0.182 0.888 1.00 0.00 H new ATOM 0 HD2 HIS A 157 57.287 0.025 3.626 1.00 0.00 H new ATOM 0 HE1 HIS A 157 55.691 -2.098 0.318 1.00 0.00 H new ATOM 1670 N ILE A 158 54.413 4.703 2.974 1.00 0.00 N ATOM 1671 CA ILE A 158 53.537 5.822 3.290 1.00 0.00 C ATOM 1672 C ILE A 158 52.269 5.697 2.456 1.00 0.00 C ATOM 1673 O ILE A 158 52.341 5.633 1.231 1.00 0.00 O ATOM 1674 CB ILE A 158 54.227 7.182 3.037 1.00 0.00 C ATOM 1675 CG1 ILE A 158 55.241 7.451 4.151 1.00 0.00 C ATOM 1676 CG2 ILE A 158 53.198 8.307 2.949 1.00 0.00 C ATOM 1677 CD1 ILE A 158 55.645 8.905 4.289 1.00 0.00 C ATOM 0 H ILE A 158 54.686 4.655 1.992 1.00 0.00 H new ATOM 0 HA ILE A 158 53.291 5.789 4.351 1.00 0.00 H new ATOM 0 HB ILE A 158 54.751 7.145 2.082 1.00 0.00 H new ATOM 0 HG12 ILE A 158 54.821 7.111 5.098 1.00 0.00 H new ATOM 0 HG13 ILE A 158 56.134 6.854 3.965 1.00 0.00 H new ATOM 0 HG21 ILE A 158 53.708 9.254 2.771 1.00 0.00 H new ATOM 0 HG22 ILE A 158 52.509 8.106 2.129 1.00 0.00 H new ATOM 0 HG23 ILE A 158 52.642 8.365 3.885 1.00 0.00 H new ATOM 0 HD11 ILE A 158 56.365 9.007 5.101 1.00 0.00 H new ATOM 0 HD12 ILE A 158 56.097 9.247 3.358 1.00 0.00 H new ATOM 0 HD13 ILE A 158 54.764 9.508 4.508 1.00 0.00 H new ATOM 1689 N ILE A 159 51.116 5.620 3.110 1.00 0.00 N ATOM 1690 CA ILE A 159 49.856 5.451 2.394 1.00 0.00 C ATOM 1691 C ILE A 159 48.967 6.687 2.456 1.00 0.00 C ATOM 1692 O ILE A 159 49.130 7.548 3.319 1.00 0.00 O ATOM 1693 CB ILE A 159 49.069 4.250 2.948 1.00 0.00 C ATOM 1694 CG1 ILE A 159 50.005 3.063 3.178 1.00 0.00 C ATOM 1695 CG2 ILE A 159 47.943 3.865 1.999 1.00 0.00 C ATOM 1696 CD1 ILE A 159 50.565 2.996 4.581 1.00 0.00 C ATOM 0 H ILE A 159 51.026 5.671 4.125 1.00 0.00 H new ATOM 0 HA ILE A 159 50.126 5.280 1.352 1.00 0.00 H new ATOM 0 HB ILE A 159 48.629 4.535 3.903 1.00 0.00 H new ATOM 0 HG12 ILE A 159 49.466 2.140 2.967 1.00 0.00 H new ATOM 0 HG13 ILE A 159 50.831 3.119 2.469 1.00 0.00 H new ATOM 0 HG21 ILE A 159 47.398 3.014 2.407 1.00 0.00 H new ATOM 0 HG22 ILE A 159 47.263 4.708 1.880 1.00 0.00 H new ATOM 0 HG23 ILE A 159 48.361 3.596 1.029 1.00 0.00 H new ATOM 0 HD11 ILE A 159 51.220 2.129 4.670 1.00 0.00 H new ATOM 0 HD12 ILE A 159 51.133 3.903 4.790 1.00 0.00 H new ATOM 0 HD13 ILE A 159 49.747 2.908 5.296 1.00 0.00 H new ATOM 1708 N LEU A 160 48.014 6.751 1.529 1.00 0.00 N ATOM 1709 CA LEU A 160 47.069 7.858 1.456 1.00 0.00 C ATOM 1710 C LEU A 160 45.688 7.351 1.055 1.00 0.00 C ATOM 1711 O LEU A 160 45.568 6.400 0.283 1.00 0.00 O ATOM 1712 CB LEU A 160 47.533 8.920 0.450 1.00 0.00 C ATOM 1713 CG LEU A 160 48.949 8.746 -0.099 1.00 0.00 C ATOM 1714 CD1 LEU A 160 49.120 9.562 -1.372 1.00 0.00 C ATOM 1715 CD2 LEU A 160 49.982 9.150 0.943 1.00 0.00 C ATOM 0 H LEU A 160 47.877 6.039 0.811 1.00 0.00 H new ATOM 0 HA LEU A 160 47.018 8.314 2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 160 46.837 8.927 -0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 160 47.467 9.898 0.927 1.00 0.00 H new ATOM 0 HG LEU A 160 49.104 7.694 -0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 160 50.132 9.431 -1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 160 48.403 9.224 -2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 160 48.948 10.616 -1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 160 50.983 9.019 0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 160 49.835 10.195 1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 160 49.868 8.526 1.829 1.00 0.00 H new ATOM 1727 N ARG A 161 44.648 7.993 1.574 1.00 0.00 N ATOM 1728 CA ARG A 161 43.280 7.602 1.253 1.00 0.00 C ATOM 1729 C ARG A 161 42.770 8.372 0.041 1.00 0.00 C ATOM 1730 O ARG A 161 42.790 9.604 0.022 1.00 0.00 O ATOM 1731 CB ARG A 161 42.360 7.843 2.452 1.00 0.00 C ATOM 1732 CG ARG A 161 41.085 7.014 2.417 1.00 0.00 C ATOM 1733 CD ARG A 161 39.855 7.887 2.234 1.00 0.00 C ATOM 1734 NE ARG A 161 39.168 8.138 3.499 1.00 0.00 N ATOM 1735 CZ ARG A 161 38.356 7.264 4.089 1.00 0.00 C ATOM 1736 NH1 ARG A 161 38.130 6.080 3.534 1.00 0.00 N ATOM 1737 NH2 ARG A 161 37.768 7.574 5.235 1.00 0.00 N ATOM 0 H ARG A 161 44.724 8.782 2.215 1.00 0.00 H new ATOM 0 HA ARG A 161 43.278 6.538 1.015 1.00 0.00 H new ATOM 0 HB2 ARG A 161 42.905 7.618 3.369 1.00 0.00 H new ATOM 0 HB3 ARG A 161 42.096 8.900 2.490 1.00 0.00 H new ATOM 0 HG2 ARG A 161 41.143 6.291 1.604 1.00 0.00 H new ATOM 0 HG3 ARG A 161 40.994 6.446 3.343 1.00 0.00 H new ATOM 0 HD2 ARG A 161 40.148 8.837 1.786 1.00 0.00 H new ATOM 0 HD3 ARG A 161 39.168 7.405 1.538 1.00 0.00 H new ATOM 0 HE ARG A 161 39.320 9.037 3.957 1.00 0.00 H new ATOM 0 HH11 ARG A 161 38.579 5.836 2.651 1.00 0.00 H new ATOM 0 HH12 ARG A 161 37.507 5.414 3.990 1.00 0.00 H new ATOM 0 HH21 ARG A 161 37.937 8.483 5.666 1.00 0.00 H new ATOM 0 HH22 ARG A 161 37.146 6.904 5.687 1.00 0.00 H new ATOM 1751 N THR A 162 42.320 7.641 -0.975 1.00 0.00 N ATOM 1752 CA THR A 162 41.810 8.260 -2.193 1.00 0.00 C ATOM 1753 C THR A 162 40.286 8.313 -2.184 1.00 0.00 C ATOM 1754 O THR A 162 39.694 9.383 -2.326 1.00 0.00 O ATOM 1755 CB THR A 162 42.300 7.492 -3.423 1.00 0.00 C ATOM 1756 OG1 THR A 162 43.426 6.694 -3.102 1.00 0.00 O ATOM 1757 CG2 THR A 162 42.688 8.392 -4.575 1.00 0.00 C ATOM 0 H THR A 162 42.298 6.621 -0.979 1.00 0.00 H new ATOM 0 HA THR A 162 42.188 9.282 -2.236 1.00 0.00 H new ATOM 0 HB THR A 162 41.456 6.876 -3.733 1.00 0.00 H new ATOM 0 HG1 THR A 162 43.896 6.445 -3.925 1.00 0.00 H new ATOM 0 HG21 THR A 162 43.026 7.784 -5.414 1.00 0.00 H new ATOM 0 HG22 THR A 162 41.825 8.984 -4.880 1.00 0.00 H new ATOM 0 HG23 THR A 162 43.493 9.057 -4.262 1.00 0.00 H new ATOM 1765 N GLU A 163 39.657 7.155 -2.018 1.00 0.00 N ATOM 1766 CA GLU A 163 38.200 7.076 -1.994 1.00 0.00 C ATOM 1767 C GLU A 163 37.654 7.541 -0.647 1.00 0.00 C ATOM 1768 O GLU A 163 37.393 8.754 -0.504 1.00 0.00 O ATOM 1769 CB GLU A 163 37.740 5.646 -2.280 1.00 0.00 C ATOM 1770 CG GLU A 163 36.483 5.571 -3.133 1.00 0.00 C ATOM 1771 CD GLU A 163 35.337 4.873 -2.426 1.00 0.00 C ATOM 1772 OE1 GLU A 163 35.307 4.894 -1.178 1.00 0.00 O ATOM 1773 OE2 GLU A 163 34.469 4.305 -3.123 1.00 0.00 O ATOM 1774 OXT GLU A 163 37.491 6.690 0.252 1.00 0.00 O ATOM 0 H GLU A 163 40.131 6.260 -1.898 1.00 0.00 H new ATOM 0 HA GLU A 163 37.812 7.735 -2.771 1.00 0.00 H new ATOM 0 HB2 GLU A 163 38.544 5.108 -2.783 1.00 0.00 H new ATOM 0 HB3 GLU A 163 37.559 5.135 -1.334 1.00 0.00 H new ATOM 0 HG2 GLU A 163 36.175 6.580 -3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 163 36.708 5.043 -4.060 1.00 0.00 H new TER 1781 GLU A 163 HETATM 1782 S SO4 A 200 59.293 -7.576 -0.257 1.00 0.00 S HETATM 1783 O1 SO4 A 200 59.355 -8.907 -0.887 1.00 0.00 O HETATM 1784 O2 SO4 A 200 58.222 -7.559 0.758 1.00 0.00 O HETATM 1785 O3 SO4 A 200 59.012 -6.558 -1.287 1.00 0.00 O HETATM 1786 O4 SO4 A 200 60.585 -7.277 0.391 1.00 0.00 O