USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=33 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 129 GLN : amide:sc= -1.39 K(o=-2.9,f=-9!) USER MOD Set 1.2: A 130 MET CE :methyl -162:sc= -1.46 (180deg=-2.78) USER MOD Set 2.1: A 59 HIS : no HE2:sc= -2.01! K(o=-12!,f=-22) USER MOD Set 2.2: A 113 CYS SG : rot 156:sc= -0.08 USER MOD Set 2.3: A 115 SER OG : rot 132:sc= 0.929 USER MOD Set 2.4: A 131 GLN : amide:sc= -0.542 K(o=-12,f=-16!) USER MOD Set 2.5: A 152 THR OG1 : rot -43:sc= 0.0506 USER MOD Set 2.6: A 157 HIS : no HE2:sc= -10.8! C(o=-12!,f=-13!) USER MOD Set 3.1: A 63 LYS NZ :NH3+ -112:sc= -0.186 (180deg=-1.09) USER MOD Set 3.2: A 72 SER OG : rot -40:sc= -0.335! USER MOD Set 3.3: A 154 SER OG : rot 8:sc= 1.48 USER MOD Single : A 57 CYS SG : rot -5:sc= -1.81 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -2.68 K(o=-2.7,f=-5.3!) USER MOD Single : A 65 SER OG : rot 180:sc= 0.0264 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -80:sc= 0.474 USER MOD Single : A 71 SER OG : rot 133:sc= 0.94 USER MOD Single : A 75 GLN : amide:sc= -0.0645 K(o=-0.064,f=-1.7!) USER MOD Single : A 77 LYS NZ :NH3+ -143:sc= -0.844 (180deg=-2.41!) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 81 THR OG1 : rot -77:sc= -0.661 USER MOD Single : A 82 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0822) USER MOD Single : A 90 ASN : amide:sc= -0.575 K(o=-0.58,f=-2.6!) USER MOD Single : A 92 TYR OH : rot -79:sc= 1.52 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 139:sc= -0.391 (180deg=-0.522) USER MOD Single : A 97 LYS NZ :NH3+ -157:sc= 0.0542 (180deg=-0.85!) USER MOD Single : A 98 SER OG : rot -71:sc= 0.961 USER MOD Single : A 105 SER OG : rot -66:sc= 0.407 USER MOD Single : A 108 SER OG : rot -88:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.24) USER MOD Single : A 111 SER OG : rot 26:sc= -3.86 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ -160:sc= -0.043 (180deg=-0.501) USER MOD Single : A 126 SER OG : rot -27:sc= 0.558 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 SER OG : rot 171:sc= -1.39 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 MET CE :methyl 151:sc= -11! (180deg=-15.1!) USER MOD Single : A 147 SER OG : rot 120:sc= 0.0382 USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 50 27.845 4.303 8.905 1.00 0.00 N ATOM 2 CA GLY A 50 28.351 3.140 8.124 1.00 0.00 C ATOM 3 C GLY A 50 29.538 3.500 7.252 1.00 0.00 C ATOM 4 O GLY A 50 29.512 4.501 6.538 1.00 0.00 O ATOM 0 HA2 GLY A 50 28.636 2.342 8.810 1.00 0.00 H new ATOM 0 HA3 GLY A 50 27.549 2.750 7.498 1.00 0.00 H new ATOM 10 N GLU A 51 30.583 2.680 7.312 1.00 0.00 N ATOM 11 CA GLU A 51 31.786 2.918 6.522 1.00 0.00 C ATOM 12 C GLU A 51 31.944 1.856 5.436 1.00 0.00 C ATOM 13 O GLU A 51 31.588 0.696 5.636 1.00 0.00 O ATOM 14 CB GLU A 51 33.022 2.931 7.426 1.00 0.00 C ATOM 15 CG GLU A 51 33.334 1.584 8.059 1.00 0.00 C ATOM 16 CD GLU A 51 32.577 1.358 9.354 1.00 0.00 C ATOM 17 OE1 GLU A 51 31.339 1.199 9.298 1.00 0.00 O ATOM 18 OE2 GLU A 51 33.222 1.338 10.423 1.00 0.00 O ATOM 0 H GLU A 51 30.621 1.846 7.898 1.00 0.00 H new ATOM 0 HA GLU A 51 31.688 3.891 6.040 1.00 0.00 H new ATOM 0 HB2 GLU A 51 33.884 3.256 6.843 1.00 0.00 H new ATOM 0 HB3 GLU A 51 32.875 3.668 8.216 1.00 0.00 H new ATOM 0 HG2 GLU A 51 33.087 0.790 7.355 1.00 0.00 H new ATOM 0 HG3 GLU A 51 34.405 1.517 8.252 1.00 0.00 H new ATOM 25 N PRO A 52 32.484 2.242 4.267 1.00 0.00 N ATOM 26 CA PRO A 52 32.688 1.315 3.150 1.00 0.00 C ATOM 27 C PRO A 52 33.831 0.341 3.410 1.00 0.00 C ATOM 28 O PRO A 52 34.815 0.684 4.067 1.00 0.00 O ATOM 29 CB PRO A 52 33.029 2.241 1.982 1.00 0.00 C ATOM 30 CG PRO A 52 33.635 3.442 2.619 1.00 0.00 C ATOM 31 CD PRO A 52 32.938 3.608 3.942 1.00 0.00 C ATOM 0 HA PRO A 52 31.814 0.688 2.973 1.00 0.00 H new ATOM 0 HB2 PRO A 52 33.724 1.766 1.290 1.00 0.00 H new ATOM 0 HB3 PRO A 52 32.138 2.502 1.410 1.00 0.00 H new ATOM 0 HG2 PRO A 52 34.708 3.310 2.758 1.00 0.00 H new ATOM 0 HG3 PRO A 52 33.500 4.325 1.994 1.00 0.00 H new ATOM 0 HD2 PRO A 52 33.612 3.999 4.704 1.00 0.00 H new ATOM 0 HD3 PRO A 52 32.101 4.303 3.870 1.00 0.00 H new ATOM 39 N ALA A 53 33.698 -0.874 2.888 1.00 0.00 N ATOM 40 CA ALA A 53 34.723 -1.897 3.062 1.00 0.00 C ATOM 41 C ALA A 53 35.863 -1.724 2.059 1.00 0.00 C ATOM 42 O ALA A 53 36.805 -2.517 2.038 1.00 0.00 O ATOM 43 CB ALA A 53 34.109 -3.284 2.930 1.00 0.00 C ATOM 0 H ALA A 53 32.891 -1.174 2.341 1.00 0.00 H new ATOM 0 HA ALA A 53 35.141 -1.785 4.063 1.00 0.00 H new ATOM 0 HB1 ALA A 53 34.884 -4.039 3.062 1.00 0.00 H new ATOM 0 HB2 ALA A 53 33.341 -3.416 3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 53 33.662 -3.392 1.942 1.00 0.00 H new ATOM 49 N ARG A 54 35.775 -0.689 1.227 1.00 0.00 N ATOM 50 CA ARG A 54 36.802 -0.425 0.227 1.00 0.00 C ATOM 51 C ARG A 54 37.062 1.078 0.107 1.00 0.00 C ATOM 52 O ARG A 54 36.139 1.887 0.198 1.00 0.00 O ATOM 53 CB ARG A 54 36.377 -1.019 -1.126 1.00 0.00 C ATOM 54 CG ARG A 54 36.629 -0.116 -2.328 1.00 0.00 C ATOM 55 CD ARG A 54 36.515 -0.883 -3.637 1.00 0.00 C ATOM 56 NE ARG A 54 35.684 -0.181 -4.613 1.00 0.00 N ATOM 57 CZ ARG A 54 34.353 -0.212 -4.613 1.00 0.00 C ATOM 58 NH1 ARG A 54 33.698 -0.910 -3.693 1.00 0.00 N ATOM 59 NH2 ARG A 54 33.676 0.457 -5.535 1.00 0.00 N ATOM 0 H ARG A 54 35.004 -0.021 1.227 1.00 0.00 H new ATOM 0 HA ARG A 54 37.732 -0.901 0.539 1.00 0.00 H new ATOM 0 HB2 ARG A 54 36.908 -1.959 -1.277 1.00 0.00 H new ATOM 0 HB3 ARG A 54 35.314 -1.257 -1.085 1.00 0.00 H new ATOM 0 HG2 ARG A 54 35.913 0.706 -2.323 1.00 0.00 H new ATOM 0 HG3 ARG A 54 37.622 0.326 -2.250 1.00 0.00 H new ATOM 0 HD2 ARG A 54 37.510 -1.039 -4.054 1.00 0.00 H new ATOM 0 HD3 ARG A 54 36.092 -1.869 -3.444 1.00 0.00 H new ATOM 0 HE ARG A 54 36.151 0.365 -5.337 1.00 0.00 H new ATOM 0 HH11 ARG A 54 34.215 -1.426 -2.981 1.00 0.00 H new ATOM 0 HH12 ARG A 54 32.678 -0.930 -3.698 1.00 0.00 H new ATOM 0 HH21 ARG A 54 34.175 0.995 -6.244 1.00 0.00 H new ATOM 0 HH22 ARG A 54 32.656 0.434 -5.536 1.00 0.00 H new ATOM 73 N VAL A 55 38.327 1.446 -0.098 1.00 0.00 N ATOM 74 CA VAL A 55 38.702 2.851 -0.228 1.00 0.00 C ATOM 75 C VAL A 55 39.825 3.032 -1.246 1.00 0.00 C ATOM 76 O VAL A 55 40.427 2.059 -1.701 1.00 0.00 O ATOM 77 CB VAL A 55 39.153 3.439 1.122 1.00 0.00 C ATOM 78 CG1 VAL A 55 37.984 3.502 2.094 1.00 0.00 C ATOM 79 CG2 VAL A 55 40.298 2.626 1.705 1.00 0.00 C ATOM 0 H VAL A 55 39.106 0.792 -0.177 1.00 0.00 H new ATOM 0 HA VAL A 55 37.814 3.382 -0.572 1.00 0.00 H new ATOM 0 HB VAL A 55 39.511 4.455 0.953 1.00 0.00 H new ATOM 0 HG11 VAL A 55 38.322 3.920 3.042 1.00 0.00 H new ATOM 0 HG12 VAL A 55 37.199 4.133 1.678 1.00 0.00 H new ATOM 0 HG13 VAL A 55 37.593 2.498 2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 55 40.602 3.058 2.659 1.00 0.00 H new ATOM 0 HG22 VAL A 55 39.972 1.597 1.860 1.00 0.00 H new ATOM 0 HG23 VAL A 55 41.142 2.639 1.015 1.00 0.00 H new ATOM 89 N ARG A 56 40.104 4.287 -1.596 1.00 0.00 N ATOM 90 CA ARG A 56 41.154 4.604 -2.556 1.00 0.00 C ATOM 91 C ARG A 56 42.368 5.186 -1.835 1.00 0.00 C ATOM 92 O ARG A 56 42.275 6.232 -1.192 1.00 0.00 O ATOM 93 CB ARG A 56 40.619 5.585 -3.614 1.00 0.00 C ATOM 94 CG ARG A 56 41.694 6.375 -4.354 1.00 0.00 C ATOM 95 CD ARG A 56 41.737 6.028 -5.834 1.00 0.00 C ATOM 96 NE ARG A 56 43.044 6.323 -6.420 1.00 0.00 N ATOM 97 CZ ARG A 56 43.230 6.690 -7.687 1.00 0.00 C ATOM 98 NH1 ARG A 56 42.202 6.791 -8.520 1.00 0.00 N ATOM 99 NH2 ARG A 56 44.454 6.955 -8.125 1.00 0.00 N ATOM 0 H ARG A 56 39.614 5.102 -1.226 1.00 0.00 H new ATOM 0 HA ARG A 56 41.466 3.690 -3.062 1.00 0.00 H new ATOM 0 HB2 ARG A 56 40.031 5.027 -4.343 1.00 0.00 H new ATOM 0 HB3 ARG A 56 39.941 6.287 -3.129 1.00 0.00 H new ATOM 0 HG2 ARG A 56 41.505 7.442 -4.237 1.00 0.00 H new ATOM 0 HG3 ARG A 56 42.667 6.172 -3.905 1.00 0.00 H new ATOM 0 HD2 ARG A 56 41.509 4.970 -5.967 1.00 0.00 H new ATOM 0 HD3 ARG A 56 40.966 6.589 -6.362 1.00 0.00 H new ATOM 0 HE ARG A 56 43.865 6.243 -5.821 1.00 0.00 H new ATOM 0 HH11 ARG A 56 41.258 6.587 -8.192 1.00 0.00 H new ATOM 0 HH12 ARG A 56 42.356 7.073 -9.488 1.00 0.00 H new ATOM 0 HH21 ARG A 56 45.250 6.878 -7.492 1.00 0.00 H new ATOM 0 HH22 ARG A 56 44.599 7.236 -9.095 1.00 0.00 H new ATOM 113 N CYS A 57 43.501 4.498 -1.941 1.00 0.00 N ATOM 114 CA CYS A 57 44.725 4.946 -1.290 1.00 0.00 C ATOM 115 C CYS A 57 45.957 4.637 -2.137 1.00 0.00 C ATOM 116 O CYS A 57 45.979 3.670 -2.899 1.00 0.00 O ATOM 117 CB CYS A 57 44.871 4.273 0.076 1.00 0.00 C ATOM 118 SG CYS A 57 43.493 4.581 1.205 1.00 0.00 S ATOM 0 H CYS A 57 43.596 3.631 -2.470 1.00 0.00 H new ATOM 0 HA CYS A 57 44.654 6.027 -1.166 1.00 0.00 H new ATOM 0 HB2 CYS A 57 44.973 3.198 -0.070 1.00 0.00 H new ATOM 0 HB3 CYS A 57 45.793 4.620 0.543 1.00 0.00 H new ATOM 0 HG CYS A 57 42.665 5.422 0.660 1.00 0.00 H new ATOM 124 N SER A 58 46.986 5.458 -1.976 1.00 0.00 N ATOM 125 CA SER A 58 48.240 5.278 -2.695 1.00 0.00 C ATOM 126 C SER A 58 49.372 5.096 -1.694 1.00 0.00 C ATOM 127 O SER A 58 49.270 5.554 -0.555 1.00 0.00 O ATOM 128 CB SER A 58 48.522 6.482 -3.596 1.00 0.00 C ATOM 129 OG SER A 58 47.337 7.219 -3.849 1.00 0.00 O ATOM 0 H SER A 58 46.976 6.262 -1.348 1.00 0.00 H new ATOM 0 HA SER A 58 48.165 4.392 -3.325 1.00 0.00 H new ATOM 0 HB2 SER A 58 49.262 7.128 -3.124 1.00 0.00 H new ATOM 0 HB3 SER A 58 48.951 6.142 -4.539 1.00 0.00 H new ATOM 0 HG SER A 58 47.544 7.984 -4.425 1.00 0.00 H new ATOM 135 N HIS A 59 50.447 4.428 -2.098 1.00 0.00 N ATOM 136 CA HIS A 59 51.561 4.212 -1.184 1.00 0.00 C ATOM 137 C HIS A 59 52.909 4.236 -1.899 1.00 0.00 C ATOM 138 O HIS A 59 52.994 4.036 -3.110 1.00 0.00 O ATOM 139 CB HIS A 59 51.372 2.900 -0.412 1.00 0.00 C ATOM 140 CG HIS A 59 51.877 1.684 -1.131 1.00 0.00 C ATOM 141 ND1 HIS A 59 52.321 0.554 -0.477 1.00 0.00 N ATOM 142 CD2 HIS A 59 52.017 1.430 -2.454 1.00 0.00 C ATOM 143 CE1 HIS A 59 52.714 -0.342 -1.365 1.00 0.00 C ATOM 144 NE2 HIS A 59 52.538 0.164 -2.572 1.00 0.00 N ATOM 0 H HIS A 59 50.570 4.035 -3.031 1.00 0.00 H new ATOM 0 HA HIS A 59 51.566 5.040 -0.475 1.00 0.00 H new ATOM 0 HB2 HIS A 59 51.883 2.979 0.547 1.00 0.00 H new ATOM 0 HB3 HIS A 59 50.312 2.767 -0.198 1.00 0.00 H new ATOM 0 HD1 HIS A 59 52.343 0.429 0.535 1.00 0.00 H new ATOM 0 HD2 HIS A 59 51.766 2.098 -3.265 1.00 0.00 H new ATOM 0 HE1 HIS A 59 53.111 -1.321 -1.142 1.00 0.00 H new ATOM 153 N LEU A 60 53.957 4.491 -1.123 1.00 0.00 N ATOM 154 CA LEU A 60 55.314 4.558 -1.645 1.00 0.00 C ATOM 155 C LEU A 60 56.259 3.711 -0.795 1.00 0.00 C ATOM 156 O LEU A 60 56.549 4.058 0.352 1.00 0.00 O ATOM 157 CB LEU A 60 55.791 6.012 -1.651 1.00 0.00 C ATOM 158 CG LEU A 60 57.010 6.305 -2.527 1.00 0.00 C ATOM 159 CD1 LEU A 60 57.334 7.791 -2.500 1.00 0.00 C ATOM 160 CD2 LEU A 60 58.210 5.492 -2.066 1.00 0.00 C ATOM 0 H LEU A 60 53.889 4.656 -0.119 1.00 0.00 H new ATOM 0 HA LEU A 60 55.316 4.168 -2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 60 54.967 6.644 -1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 60 56.024 6.303 -0.627 1.00 0.00 H new ATOM 0 HG LEU A 60 56.775 6.017 -3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 60 58.204 7.985 -3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 60 56.481 8.356 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 60 57.549 8.098 -1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 60 59.067 5.715 -2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 60 58.448 5.748 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 60 57.976 4.429 -2.131 1.00 0.00 H new ATOM 172 N LEU A 61 56.730 2.596 -1.353 1.00 0.00 N ATOM 173 CA LEU A 61 57.639 1.710 -0.636 1.00 0.00 C ATOM 174 C LEU A 61 59.094 2.087 -0.890 1.00 0.00 C ATOM 175 O LEU A 61 59.479 2.407 -2.015 1.00 0.00 O ATOM 176 CB LEU A 61 57.408 0.265 -1.068 1.00 0.00 C ATOM 177 CG LEU A 61 58.449 -0.750 -0.580 1.00 0.00 C ATOM 178 CD1 LEU A 61 58.730 -0.574 0.905 1.00 0.00 C ATOM 179 CD2 LEU A 61 57.981 -2.168 -0.875 1.00 0.00 C ATOM 0 H LEU A 61 56.496 2.288 -2.297 1.00 0.00 H new ATOM 0 HA LEU A 61 57.436 1.814 0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 61 56.427 -0.049 -0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 61 57.377 0.231 -2.157 1.00 0.00 H new ATOM 0 HG LEU A 61 59.380 -0.571 -1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 61 59.471 -1.306 1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 61 59.111 0.431 1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 61 57.809 -0.720 1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 61 58.729 -2.879 -0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 61 57.036 -2.353 -0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 61 57.842 -2.289 -1.949 1.00 0.00 H new ATOM 191 N VAL A 62 59.904 2.025 0.161 1.00 0.00 N ATOM 192 CA VAL A 62 61.321 2.334 0.056 1.00 0.00 C ATOM 193 C VAL A 62 62.136 1.370 0.919 1.00 0.00 C ATOM 194 O VAL A 62 62.307 1.590 2.119 1.00 0.00 O ATOM 195 CB VAL A 62 61.623 3.785 0.487 1.00 0.00 C ATOM 196 CG1 VAL A 62 63.121 4.052 0.480 1.00 0.00 C ATOM 197 CG2 VAL A 62 60.901 4.770 -0.420 1.00 0.00 C ATOM 0 H VAL A 62 59.600 1.762 1.098 1.00 0.00 H new ATOM 0 HA VAL A 62 61.602 2.223 -0.991 1.00 0.00 H new ATOM 0 HB VAL A 62 61.259 3.921 1.506 1.00 0.00 H new ATOM 0 HG11 VAL A 62 63.309 5.081 0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 62 63.615 3.371 1.173 1.00 0.00 H new ATOM 0 HG13 VAL A 62 63.514 3.896 -0.525 1.00 0.00 H new ATOM 0 HG21 VAL A 62 61.125 5.788 -0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 62 61.234 4.629 -1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 62 59.826 4.599 -0.360 1.00 0.00 H new ATOM 207 N LYS A 63 62.630 0.299 0.304 1.00 0.00 N ATOM 208 CA LYS A 63 63.422 -0.699 1.026 1.00 0.00 C ATOM 209 C LYS A 63 64.645 -0.058 1.660 1.00 0.00 C ATOM 210 O LYS A 63 65.033 1.055 1.304 1.00 0.00 O ATOM 211 CB LYS A 63 63.867 -1.847 0.104 1.00 0.00 C ATOM 212 CG LYS A 63 62.942 -2.118 -1.077 1.00 0.00 C ATOM 213 CD LYS A 63 61.532 -2.463 -0.623 1.00 0.00 C ATOM 214 CE LYS A 63 61.235 -3.945 -0.798 1.00 0.00 C ATOM 215 NZ LYS A 63 60.396 -4.209 -2.001 1.00 0.00 N ATOM 0 H LYS A 63 62.498 0.098 -0.687 1.00 0.00 H new ATOM 0 HA LYS A 63 62.782 -1.112 1.806 1.00 0.00 H new ATOM 0 HB2 LYS A 63 64.863 -1.622 -0.278 1.00 0.00 H new ATOM 0 HB3 LYS A 63 63.951 -2.758 0.697 1.00 0.00 H new ATOM 0 HG2 LYS A 63 62.911 -1.241 -1.723 1.00 0.00 H new ATOM 0 HG3 LYS A 63 63.343 -2.938 -1.672 1.00 0.00 H new ATOM 0 HD2 LYS A 63 61.409 -2.188 0.424 1.00 0.00 H new ATOM 0 HD3 LYS A 63 60.812 -1.877 -1.194 1.00 0.00 H new ATOM 0 HE2 LYS A 63 62.172 -4.495 -0.882 1.00 0.00 H new ATOM 0 HE3 LYS A 63 60.724 -4.319 0.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 59.456 -4.539 -1.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 60.297 -3.334 -2.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 60.849 -4.939 -2.587 1.00 0.00 H new ATOM 229 N HIS A 64 65.247 -0.767 2.604 1.00 0.00 N ATOM 230 CA HIS A 64 66.428 -0.267 3.290 1.00 0.00 C ATOM 231 C HIS A 64 67.469 -1.372 3.462 1.00 0.00 C ATOM 232 O HIS A 64 67.319 -2.468 2.919 1.00 0.00 O ATOM 233 CB HIS A 64 66.038 0.336 4.641 1.00 0.00 C ATOM 234 CG HIS A 64 65.072 -0.491 5.431 1.00 0.00 C ATOM 235 ND1 HIS A 64 65.454 -1.257 6.509 1.00 0.00 N ATOM 236 CD2 HIS A 64 63.734 -0.660 5.308 1.00 0.00 C ATOM 237 CE1 HIS A 64 64.396 -1.862 7.016 1.00 0.00 C ATOM 238 NE2 HIS A 64 63.338 -1.516 6.308 1.00 0.00 N ATOM 0 H HIS A 64 64.937 -1.689 2.912 1.00 0.00 H new ATOM 0 HA HIS A 64 66.877 0.517 2.680 1.00 0.00 H new ATOM 0 HB2 HIS A 64 66.941 0.483 5.234 1.00 0.00 H new ATOM 0 HB3 HIS A 64 65.602 1.321 4.473 1.00 0.00 H new ATOM 0 HD2 HIS A 64 63.097 -0.207 4.563 1.00 0.00 H new ATOM 0 HE1 HIS A 64 64.396 -2.528 7.867 1.00 0.00 H new ATOM 0 HE2 HIS A 64 62.383 -1.832 6.475 1.00 0.00 H new ATOM 247 N SER A 65 68.537 -1.070 4.197 1.00 0.00 N ATOM 248 CA SER A 65 69.618 -2.030 4.415 1.00 0.00 C ATOM 249 C SER A 65 69.275 -3.070 5.486 1.00 0.00 C ATOM 250 O SER A 65 70.120 -3.888 5.847 1.00 0.00 O ATOM 251 CB SER A 65 70.903 -1.294 4.804 1.00 0.00 C ATOM 252 OG SER A 65 70.631 -0.219 5.684 1.00 0.00 O ATOM 0 H SER A 65 68.678 -0.168 4.652 1.00 0.00 H new ATOM 0 HA SER A 65 69.763 -2.565 3.476 1.00 0.00 H new ATOM 0 HB2 SER A 65 71.594 -1.990 5.279 1.00 0.00 H new ATOM 0 HB3 SER A 65 71.395 -0.918 3.907 1.00 0.00 H new ATOM 0 HG SER A 65 71.469 0.232 5.918 1.00 0.00 H new ATOM 258 N GLN A 66 68.046 -3.045 5.994 1.00 0.00 N ATOM 259 CA GLN A 66 67.634 -4.001 7.018 1.00 0.00 C ATOM 260 C GLN A 66 66.332 -4.710 6.641 1.00 0.00 C ATOM 261 O GLN A 66 65.798 -5.494 7.428 1.00 0.00 O ATOM 262 CB GLN A 66 67.471 -3.303 8.370 1.00 0.00 C ATOM 263 CG GLN A 66 68.768 -2.737 8.923 1.00 0.00 C ATOM 264 CD GLN A 66 69.023 -3.159 10.357 1.00 0.00 C ATOM 265 OE1 GLN A 66 69.925 -3.951 10.632 1.00 0.00 O ATOM 266 NE2 GLN A 66 68.226 -2.632 11.280 1.00 0.00 N ATOM 0 H GLN A 66 67.324 -2.380 5.717 1.00 0.00 H new ATOM 0 HA GLN A 66 68.419 -4.753 7.093 1.00 0.00 H new ATOM 0 HB2 GLN A 66 66.746 -2.495 8.267 1.00 0.00 H new ATOM 0 HB3 GLN A 66 67.058 -4.012 9.088 1.00 0.00 H new ATOM 0 HG2 GLN A 66 69.599 -3.065 8.298 1.00 0.00 H new ATOM 0 HG3 GLN A 66 68.738 -1.649 8.868 1.00 0.00 H new ATOM 0 HE21 GLN A 66 67.491 -1.979 11.007 1.00 0.00 H new ATOM 0 HE22 GLN A 66 68.349 -2.880 12.262 1.00 0.00 H new ATOM 275 N SER A 67 65.825 -4.442 5.440 1.00 0.00 N ATOM 276 CA SER A 67 64.591 -5.070 4.980 1.00 0.00 C ATOM 277 C SER A 67 64.798 -6.566 4.768 1.00 0.00 C ATOM 278 O SER A 67 65.879 -6.999 4.371 1.00 0.00 O ATOM 279 CB SER A 67 64.115 -4.417 3.681 1.00 0.00 C ATOM 280 OG SER A 67 65.116 -4.485 2.680 1.00 0.00 O ATOM 0 H SER A 67 66.247 -3.798 4.772 1.00 0.00 H new ATOM 0 HA SER A 67 63.828 -4.929 5.746 1.00 0.00 H new ATOM 0 HB2 SER A 67 63.211 -4.915 3.330 1.00 0.00 H new ATOM 0 HB3 SER A 67 63.854 -3.376 3.868 1.00 0.00 H new ATOM 0 HG SER A 67 65.779 -3.779 2.832 1.00 0.00 H new ATOM 286 N ARG A 68 63.758 -7.355 5.030 1.00 0.00 N ATOM 287 CA ARG A 68 63.849 -8.803 4.858 1.00 0.00 C ATOM 288 C ARG A 68 64.225 -9.155 3.421 1.00 0.00 C ATOM 289 O ARG A 68 64.735 -10.243 3.151 1.00 0.00 O ATOM 290 CB ARG A 68 62.531 -9.489 5.242 1.00 0.00 C ATOM 291 CG ARG A 68 61.283 -8.782 4.736 1.00 0.00 C ATOM 292 CD ARG A 68 61.253 -8.706 3.219 1.00 0.00 C ATOM 293 NE ARG A 68 59.895 -8.826 2.693 1.00 0.00 N ATOM 294 CZ ARG A 68 59.151 -9.924 2.803 1.00 0.00 C ATOM 295 NH1 ARG A 68 59.629 -10.999 3.416 1.00 0.00 N ATOM 296 NH2 ARG A 68 57.924 -9.949 2.298 1.00 0.00 N ATOM 0 H ARG A 68 62.852 -7.021 5.359 1.00 0.00 H new ATOM 0 HA ARG A 68 64.632 -9.167 5.523 1.00 0.00 H new ATOM 0 HB2 ARG A 68 62.539 -10.507 4.854 1.00 0.00 H new ATOM 0 HB3 ARG A 68 62.477 -9.562 6.328 1.00 0.00 H new ATOM 0 HG2 ARG A 68 60.398 -9.309 5.091 1.00 0.00 H new ATOM 0 HG3 ARG A 68 61.242 -7.775 5.151 1.00 0.00 H new ATOM 0 HD2 ARG A 68 61.685 -7.760 2.895 1.00 0.00 H new ATOM 0 HD3 ARG A 68 61.874 -9.499 2.804 1.00 0.00 H new ATOM 0 HE ARG A 68 59.493 -8.020 2.213 1.00 0.00 H new ATOM 0 HH11 ARG A 68 60.571 -10.987 3.806 1.00 0.00 H new ATOM 0 HH12 ARG A 68 59.054 -11.838 3.497 1.00 0.00 H new ATOM 0 HH21 ARG A 68 57.550 -9.126 1.825 1.00 0.00 H new ATOM 0 HH22 ARG A 68 57.355 -10.791 2.383 1.00 0.00 H new ATOM 310 N ARG A 69 63.979 -8.223 2.503 1.00 0.00 N ATOM 311 CA ARG A 69 64.299 -8.429 1.097 1.00 0.00 C ATOM 312 C ARG A 69 64.674 -7.104 0.434 1.00 0.00 C ATOM 313 O ARG A 69 63.837 -6.449 -0.185 1.00 0.00 O ATOM 314 CB ARG A 69 63.116 -9.064 0.366 1.00 0.00 C ATOM 315 CG ARG A 69 63.371 -9.308 -1.113 1.00 0.00 C ATOM 316 CD ARG A 69 63.594 -10.783 -1.407 1.00 0.00 C ATOM 317 NE ARG A 69 62.544 -11.621 -0.834 1.00 0.00 N ATOM 318 CZ ARG A 69 61.303 -11.682 -1.309 1.00 0.00 C ATOM 319 NH1 ARG A 69 60.952 -10.956 -2.364 1.00 0.00 N ATOM 320 NH2 ARG A 69 60.408 -12.471 -0.729 1.00 0.00 N ATOM 0 H ARG A 69 63.558 -7.317 2.710 1.00 0.00 H new ATOM 0 HA ARG A 69 65.152 -9.105 1.036 1.00 0.00 H new ATOM 0 HB2 ARG A 69 62.871 -10.012 0.845 1.00 0.00 H new ATOM 0 HB3 ARG A 69 62.245 -8.418 0.474 1.00 0.00 H new ATOM 0 HG2 ARG A 69 62.523 -8.945 -1.694 1.00 0.00 H new ATOM 0 HG3 ARG A 69 64.243 -8.737 -1.431 1.00 0.00 H new ATOM 0 HD2 ARG A 69 63.631 -10.936 -2.486 1.00 0.00 H new ATOM 0 HD3 ARG A 69 64.561 -11.090 -1.008 1.00 0.00 H new ATOM 0 HE ARG A 69 62.776 -12.193 -0.022 1.00 0.00 H new ATOM 0 HH11 ARG A 69 61.635 -10.348 -2.815 1.00 0.00 H new ATOM 0 HH12 ARG A 69 59.999 -11.007 -2.724 1.00 0.00 H new ATOM 0 HH21 ARG A 69 60.671 -13.031 0.082 1.00 0.00 H new ATOM 0 HH22 ARG A 69 59.457 -12.517 -1.094 1.00 0.00 H new ATOM 334 N PRO A 70 65.948 -6.692 0.564 1.00 0.00 N ATOM 335 CA PRO A 70 66.432 -5.438 -0.019 1.00 0.00 C ATOM 336 C PRO A 70 66.537 -5.506 -1.537 1.00 0.00 C ATOM 337 O PRO A 70 67.630 -5.633 -2.090 1.00 0.00 O ATOM 338 CB PRO A 70 67.817 -5.260 0.604 1.00 0.00 C ATOM 339 CG PRO A 70 68.255 -6.635 0.972 1.00 0.00 C ATOM 340 CD PRO A 70 67.007 -7.413 1.292 1.00 0.00 C ATOM 0 HA PRO A 70 65.752 -4.610 0.183 1.00 0.00 H new ATOM 0 HB2 PRO A 70 68.510 -4.800 -0.100 1.00 0.00 H new ATOM 0 HB3 PRO A 70 67.775 -4.612 1.479 1.00 0.00 H new ATOM 0 HG2 PRO A 70 68.802 -7.100 0.152 1.00 0.00 H new ATOM 0 HG3 PRO A 70 68.927 -6.611 1.830 1.00 0.00 H new ATOM 0 HD2 PRO A 70 67.086 -8.449 0.962 1.00 0.00 H new ATOM 0 HD3 PRO A 70 66.812 -7.434 2.364 1.00 0.00 H new ATOM 348 N SER A 71 65.394 -5.416 -2.208 1.00 0.00 N ATOM 349 CA SER A 71 65.359 -5.464 -3.663 1.00 0.00 C ATOM 350 C SER A 71 63.934 -5.316 -4.177 1.00 0.00 C ATOM 351 O SER A 71 62.973 -5.451 -3.419 1.00 0.00 O ATOM 352 CB SER A 71 65.963 -6.777 -4.169 1.00 0.00 C ATOM 353 OG SER A 71 65.896 -6.858 -5.582 1.00 0.00 O ATOM 0 H SER A 71 64.481 -5.309 -1.767 1.00 0.00 H new ATOM 0 HA SER A 71 65.952 -4.631 -4.042 1.00 0.00 H new ATOM 0 HB2 SER A 71 67.001 -6.851 -3.846 1.00 0.00 H new ATOM 0 HB3 SER A 71 65.431 -7.620 -3.728 1.00 0.00 H new ATOM 0 HG SER A 71 66.766 -7.139 -5.935 1.00 0.00 H new ATOM 359 N SER A 72 63.804 -5.038 -5.468 1.00 0.00 N ATOM 360 CA SER A 72 62.494 -4.871 -6.082 1.00 0.00 C ATOM 361 C SER A 72 62.592 -4.955 -7.600 1.00 0.00 C ATOM 362 O SER A 72 63.676 -5.121 -8.156 1.00 0.00 O ATOM 363 CB SER A 72 61.880 -3.531 -5.672 1.00 0.00 C ATOM 364 OG SER A 72 62.199 -3.212 -4.328 1.00 0.00 O ATOM 0 H SER A 72 64.589 -4.924 -6.109 1.00 0.00 H new ATOM 0 HA SER A 72 61.851 -5.678 -5.731 1.00 0.00 H new ATOM 0 HB2 SER A 72 62.244 -2.744 -6.332 1.00 0.00 H new ATOM 0 HB3 SER A 72 60.797 -3.572 -5.792 1.00 0.00 H new ATOM 0 HG SER A 72 62.142 -4.021 -3.777 1.00 0.00 H new ATOM 370 N TRP A 73 61.451 -4.836 -8.264 1.00 0.00 N ATOM 371 CA TRP A 73 61.403 -4.895 -9.720 1.00 0.00 C ATOM 372 C TRP A 73 62.113 -3.700 -10.359 1.00 0.00 C ATOM 373 O TRP A 73 62.283 -3.652 -11.577 1.00 0.00 O ATOM 374 CB TRP A 73 59.949 -4.965 -10.196 1.00 0.00 C ATOM 375 CG TRP A 73 59.182 -3.691 -9.996 1.00 0.00 C ATOM 376 CD1 TRP A 73 59.080 -2.957 -8.846 1.00 0.00 C ATOM 377 CD2 TRP A 73 58.397 -3.007 -10.978 1.00 0.00 C ATOM 378 NE1 TRP A 73 58.291 -1.853 -9.057 1.00 0.00 N ATOM 379 CE2 TRP A 73 57.854 -1.864 -10.359 1.00 0.00 C ATOM 380 CE3 TRP A 73 58.104 -3.249 -12.323 1.00 0.00 C ATOM 381 CZ2 TRP A 73 57.033 -0.969 -11.044 1.00 0.00 C ATOM 382 CZ3 TRP A 73 57.291 -2.361 -13.000 1.00 0.00 C ATOM 383 CH2 TRP A 73 56.763 -1.234 -12.360 1.00 0.00 C ATOM 0 H TRP A 73 60.544 -4.698 -7.818 1.00 0.00 H new ATOM 0 HA TRP A 73 61.929 -5.797 -10.034 1.00 0.00 H new ATOM 0 HB2 TRP A 73 59.936 -5.223 -11.255 1.00 0.00 H new ATOM 0 HB3 TRP A 73 59.441 -5.770 -9.665 1.00 0.00 H new ATOM 0 HD1 TRP A 73 59.552 -3.209 -7.908 1.00 0.00 H new ATOM 0 HE1 TRP A 73 58.066 -1.142 -8.361 1.00 0.00 H new ATOM 0 HE3 TRP A 73 58.507 -4.116 -12.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 56.625 -0.098 -10.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 57.059 -2.539 -14.040 1.00 0.00 H new ATOM 0 HH2 TRP A 73 56.129 -0.559 -12.916 1.00 0.00 H new ATOM 394 N ARG A 74 62.523 -2.732 -9.540 1.00 0.00 N ATOM 395 CA ARG A 74 63.205 -1.544 -10.044 1.00 0.00 C ATOM 396 C ARG A 74 64.709 -1.601 -9.777 1.00 0.00 C ATOM 397 O ARG A 74 65.486 -0.906 -10.432 1.00 0.00 O ATOM 398 CB ARG A 74 62.609 -0.285 -9.411 1.00 0.00 C ATOM 399 CG ARG A 74 61.883 0.609 -10.404 1.00 0.00 C ATOM 400 CD ARG A 74 62.376 2.047 -10.332 1.00 0.00 C ATOM 401 NE ARG A 74 61.665 2.820 -9.314 1.00 0.00 N ATOM 402 CZ ARG A 74 62.141 3.067 -8.094 1.00 0.00 C ATOM 403 NH1 ARG A 74 63.330 2.607 -7.724 1.00 0.00 N ATOM 404 NH2 ARG A 74 61.423 3.781 -7.238 1.00 0.00 N ATOM 0 H ARG A 74 62.395 -2.748 -8.528 1.00 0.00 H new ATOM 0 HA ARG A 74 63.058 -1.511 -11.124 1.00 0.00 H new ATOM 0 HB2 ARG A 74 61.915 -0.578 -8.623 1.00 0.00 H new ATOM 0 HB3 ARG A 74 63.407 0.286 -8.936 1.00 0.00 H new ATOM 0 HG2 ARG A 74 62.028 0.225 -11.414 1.00 0.00 H new ATOM 0 HG3 ARG A 74 60.812 0.581 -10.203 1.00 0.00 H new ATOM 0 HD2 ARG A 74 63.444 2.054 -10.112 1.00 0.00 H new ATOM 0 HD3 ARG A 74 62.248 2.523 -11.304 1.00 0.00 H new ATOM 0 HE ARG A 74 60.747 3.194 -9.553 1.00 0.00 H new ATOM 0 HH11 ARG A 74 63.890 2.058 -8.376 1.00 0.00 H new ATOM 0 HH12 ARG A 74 63.684 2.803 -6.787 1.00 0.00 H new ATOM 0 HH21 ARG A 74 60.509 4.140 -7.514 1.00 0.00 H new ATOM 0 HH22 ARG A 74 61.785 3.972 -6.304 1.00 0.00 H new ATOM 418 N GLN A 75 65.122 -2.423 -8.812 1.00 0.00 N ATOM 419 CA GLN A 75 66.539 -2.543 -8.477 1.00 0.00 C ATOM 420 C GLN A 75 66.904 -3.975 -8.092 1.00 0.00 C ATOM 421 O GLN A 75 66.031 -4.802 -7.834 1.00 0.00 O ATOM 422 CB GLN A 75 66.897 -1.589 -7.337 1.00 0.00 C ATOM 423 CG GLN A 75 67.237 -0.183 -7.803 1.00 0.00 C ATOM 424 CD GLN A 75 68.097 0.570 -6.807 1.00 0.00 C ATOM 425 OE1 GLN A 75 68.462 0.038 -5.759 1.00 0.00 O ATOM 426 NE2 GLN A 75 68.425 1.816 -7.130 1.00 0.00 N ATOM 0 H GLN A 75 64.502 -3.010 -8.254 1.00 0.00 H new ATOM 0 HA GLN A 75 67.113 -2.275 -9.364 1.00 0.00 H new ATOM 0 HB2 GLN A 75 66.060 -1.539 -6.640 1.00 0.00 H new ATOM 0 HB3 GLN A 75 67.746 -1.996 -6.787 1.00 0.00 H new ATOM 0 HG2 GLN A 75 67.758 -0.237 -8.759 1.00 0.00 H new ATOM 0 HG3 GLN A 75 66.315 0.372 -7.974 1.00 0.00 H new ATOM 0 HE21 GLN A 75 68.100 2.217 -8.010 1.00 0.00 H new ATOM 0 HE22 GLN A 75 69.002 2.372 -6.498 1.00 0.00 H new ATOM 435 N GLU A 76 68.203 -4.256 -8.056 1.00 0.00 N ATOM 436 CA GLU A 76 68.690 -5.588 -7.708 1.00 0.00 C ATOM 437 C GLU A 76 68.886 -5.729 -6.201 1.00 0.00 C ATOM 438 O GLU A 76 68.372 -6.661 -5.585 1.00 0.00 O ATOM 439 CB GLU A 76 70.008 -5.875 -8.432 1.00 0.00 C ATOM 440 CG GLU A 76 69.834 -6.226 -9.900 1.00 0.00 C ATOM 441 CD GLU A 76 71.082 -6.838 -10.504 1.00 0.00 C ATOM 442 OE1 GLU A 76 72.181 -6.289 -10.279 1.00 0.00 O ATOM 443 OE2 GLU A 76 70.961 -7.867 -11.201 1.00 0.00 O ATOM 0 H GLU A 76 68.938 -3.580 -8.263 1.00 0.00 H new ATOM 0 HA GLU A 76 67.939 -6.312 -8.024 1.00 0.00 H new ATOM 0 HB2 GLU A 76 70.655 -5.001 -8.351 1.00 0.00 H new ATOM 0 HB3 GLU A 76 70.517 -6.697 -7.929 1.00 0.00 H new ATOM 0 HG2 GLU A 76 69.003 -6.923 -10.007 1.00 0.00 H new ATOM 0 HG3 GLU A 76 69.569 -5.327 -10.456 1.00 0.00 H new ATOM 450 N LYS A 77 69.636 -4.802 -5.614 1.00 0.00 N ATOM 451 CA LYS A 77 69.901 -4.828 -4.179 1.00 0.00 C ATOM 452 C LYS A 77 69.780 -3.430 -3.581 1.00 0.00 C ATOM 453 O LYS A 77 70.459 -2.498 -4.015 1.00 0.00 O ATOM 454 CB LYS A 77 71.296 -5.400 -3.909 1.00 0.00 C ATOM 455 CG LYS A 77 71.276 -6.752 -3.216 1.00 0.00 C ATOM 456 CD LYS A 77 71.182 -7.892 -4.218 1.00 0.00 C ATOM 457 CE LYS A 77 72.544 -8.236 -4.799 1.00 0.00 C ATOM 458 NZ LYS A 77 72.893 -7.364 -5.954 1.00 0.00 N ATOM 0 H LYS A 77 70.071 -4.024 -6.109 1.00 0.00 H new ATOM 0 HA LYS A 77 69.158 -5.469 -3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 77 71.830 -5.494 -4.854 1.00 0.00 H new ATOM 0 HB3 LYS A 77 71.856 -4.695 -3.295 1.00 0.00 H new ATOM 0 HG2 LYS A 77 72.179 -6.868 -2.616 1.00 0.00 H new ATOM 0 HG3 LYS A 77 70.430 -6.798 -2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 77 70.760 -8.771 -3.732 1.00 0.00 H new ATOM 0 HD3 LYS A 77 70.501 -7.615 -5.023 1.00 0.00 H new ATOM 0 HE2 LYS A 77 73.305 -8.134 -4.025 1.00 0.00 H new ATOM 0 HE3 LYS A 77 72.550 -9.279 -5.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 73.403 -7.922 -6.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 72.023 -6.977 -6.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 73.498 -6.583 -5.629 1.00 0.00 H new ATOM 472 N ILE A 78 68.914 -3.287 -2.582 1.00 0.00 N ATOM 473 CA ILE A 78 68.707 -2.002 -1.929 1.00 0.00 C ATOM 474 C ILE A 78 69.672 -1.818 -0.764 1.00 0.00 C ATOM 475 O ILE A 78 70.078 -2.786 -0.121 1.00 0.00 O ATOM 476 CB ILE A 78 67.261 -1.857 -1.418 1.00 0.00 C ATOM 477 CG1 ILE A 78 66.265 -2.222 -2.536 1.00 0.00 C ATOM 478 CG2 ILE A 78 67.024 -0.445 -0.896 1.00 0.00 C ATOM 479 CD1 ILE A 78 65.686 -1.033 -3.276 1.00 0.00 C ATOM 0 H ILE A 78 68.345 -4.046 -2.208 1.00 0.00 H new ATOM 0 HA ILE A 78 68.895 -1.232 -2.677 1.00 0.00 H new ATOM 0 HB ILE A 78 67.102 -2.547 -0.590 1.00 0.00 H new ATOM 0 HG12 ILE A 78 66.766 -2.871 -3.254 1.00 0.00 H new ATOM 0 HG13 ILE A 78 65.447 -2.797 -2.103 1.00 0.00 H new ATOM 0 HG21 ILE A 78 65.998 -0.357 -0.538 1.00 0.00 H new ATOM 0 HG22 ILE A 78 67.713 -0.240 -0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 78 67.191 0.273 -1.699 1.00 0.00 H new ATOM 0 HD11 ILE A 78 64.996 -1.383 -4.044 1.00 0.00 H new ATOM 0 HD12 ILE A 78 65.153 -0.392 -2.574 1.00 0.00 H new ATOM 0 HD13 ILE A 78 66.492 -0.467 -3.743 1.00 0.00 H new ATOM 491 N THR A 79 70.038 -0.568 -0.496 1.00 0.00 N ATOM 492 CA THR A 79 70.956 -0.257 0.593 1.00 0.00 C ATOM 493 C THR A 79 70.669 1.129 1.165 1.00 0.00 C ATOM 494 O THR A 79 71.572 1.954 1.305 1.00 0.00 O ATOM 495 CB THR A 79 72.405 -0.334 0.104 1.00 0.00 C ATOM 496 OG1 THR A 79 72.535 -1.296 -0.928 1.00 0.00 O ATOM 497 CG2 THR A 79 73.386 -0.697 1.197 1.00 0.00 C ATOM 0 H THR A 79 69.713 0.245 -1.018 1.00 0.00 H new ATOM 0 HA THR A 79 70.809 -0.993 1.383 1.00 0.00 H new ATOM 0 HB THR A 79 72.642 0.667 -0.257 1.00 0.00 H new ATOM 0 HG1 THR A 79 73.467 -1.330 -1.228 1.00 0.00 H new ATOM 0 HG21 THR A 79 74.394 -0.735 0.784 1.00 0.00 H new ATOM 0 HG22 THR A 79 73.345 0.054 1.986 1.00 0.00 H new ATOM 0 HG23 THR A 79 73.127 -1.672 1.610 1.00 0.00 H new ATOM 505 N ARG A 80 69.406 1.376 1.493 1.00 0.00 N ATOM 506 CA ARG A 80 68.999 2.661 2.049 1.00 0.00 C ATOM 507 C ARG A 80 69.018 2.621 3.573 1.00 0.00 C ATOM 508 O ARG A 80 68.130 2.042 4.200 1.00 0.00 O ATOM 509 CB ARG A 80 67.598 3.043 1.554 1.00 0.00 C ATOM 510 CG ARG A 80 67.331 2.674 0.102 1.00 0.00 C ATOM 511 CD ARG A 80 67.665 3.821 -0.839 1.00 0.00 C ATOM 512 NE ARG A 80 69.061 3.789 -1.269 1.00 0.00 N ATOM 513 CZ ARG A 80 70.037 4.490 -0.693 1.00 0.00 C ATOM 514 NH1 ARG A 80 69.780 5.282 0.342 1.00 0.00 N ATOM 515 NH2 ARG A 80 71.277 4.399 -1.156 1.00 0.00 N ATOM 0 H ARG A 80 68.647 0.704 1.384 1.00 0.00 H new ATOM 0 HA ARG A 80 69.710 3.415 1.711 1.00 0.00 H new ATOM 0 HB2 ARG A 80 66.856 2.554 2.185 1.00 0.00 H new ATOM 0 HB3 ARG A 80 67.462 4.118 1.676 1.00 0.00 H new ATOM 0 HG2 ARG A 80 67.923 1.799 -0.166 1.00 0.00 H new ATOM 0 HG3 ARG A 80 66.283 2.399 -0.017 1.00 0.00 H new ATOM 0 HD2 ARG A 80 67.016 3.773 -1.713 1.00 0.00 H new ATOM 0 HD3 ARG A 80 67.461 4.769 -0.341 1.00 0.00 H new ATOM 0 HE ARG A 80 69.304 3.192 -2.060 1.00 0.00 H new ATOM 0 HH11 ARG A 80 68.829 5.358 0.703 1.00 0.00 H new ATOM 0 HH12 ARG A 80 70.534 5.815 0.776 1.00 0.00 H new ATOM 0 HH21 ARG A 80 71.481 3.794 -1.951 1.00 0.00 H new ATOM 0 HH22 ARG A 80 72.026 4.935 -0.717 1.00 0.00 H new ATOM 529 N THR A 81 70.034 3.240 4.165 1.00 0.00 N ATOM 530 CA THR A 81 70.169 3.274 5.618 1.00 0.00 C ATOM 531 C THR A 81 68.927 3.873 6.268 1.00 0.00 C ATOM 532 O THR A 81 68.018 4.341 5.581 1.00 0.00 O ATOM 533 CB THR A 81 71.405 4.080 6.021 1.00 0.00 C ATOM 534 OG1 THR A 81 71.421 5.338 5.368 1.00 0.00 O ATOM 535 CG2 THR A 81 72.709 3.378 5.699 1.00 0.00 C ATOM 0 H THR A 81 70.777 3.725 3.661 1.00 0.00 H new ATOM 0 HA THR A 81 70.283 2.248 5.968 1.00 0.00 H new ATOM 0 HB THR A 81 71.332 4.198 7.102 1.00 0.00 H new ATOM 0 HG1 THR A 81 71.700 5.219 4.436 1.00 0.00 H new ATOM 0 HG21 THR A 81 73.546 4.004 6.010 1.00 0.00 H new ATOM 0 HG22 THR A 81 72.751 2.426 6.229 1.00 0.00 H new ATOM 0 HG23 THR A 81 72.770 3.198 4.626 1.00 0.00 H new ATOM 543 N LYS A 82 68.891 3.855 7.597 1.00 0.00 N ATOM 544 CA LYS A 82 67.759 4.396 8.341 1.00 0.00 C ATOM 545 C LYS A 82 67.519 5.859 7.985 1.00 0.00 C ATOM 546 O LYS A 82 66.398 6.255 7.666 1.00 0.00 O ATOM 547 CB LYS A 82 68.000 4.258 9.846 1.00 0.00 C ATOM 548 CG LYS A 82 67.426 2.981 10.440 1.00 0.00 C ATOM 549 CD LYS A 82 68.378 2.355 11.449 1.00 0.00 C ATOM 550 CE LYS A 82 68.874 0.996 10.981 1.00 0.00 C ATOM 551 NZ LYS A 82 69.638 1.091 9.706 1.00 0.00 N ATOM 0 H LYS A 82 69.634 3.471 8.181 1.00 0.00 H new ATOM 0 HA LYS A 82 66.871 3.826 8.067 1.00 0.00 H new ATOM 0 HB2 LYS A 82 69.073 4.288 10.038 1.00 0.00 H new ATOM 0 HB3 LYS A 82 67.561 5.115 10.356 1.00 0.00 H new ATOM 0 HG2 LYS A 82 66.474 3.200 10.924 1.00 0.00 H new ATOM 0 HG3 LYS A 82 67.221 2.268 9.642 1.00 0.00 H new ATOM 0 HD2 LYS A 82 69.228 3.018 11.608 1.00 0.00 H new ATOM 0 HD3 LYS A 82 67.873 2.248 12.409 1.00 0.00 H new ATOM 0 HE2 LYS A 82 69.507 0.556 11.751 1.00 0.00 H new ATOM 0 HE3 LYS A 82 68.024 0.327 10.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 70.181 0.216 9.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 68.977 1.223 8.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 70.290 1.900 9.751 1.00 0.00 H new ATOM 565 N GLU A 83 68.580 6.658 8.041 1.00 0.00 N ATOM 566 CA GLU A 83 68.485 8.077 7.724 1.00 0.00 C ATOM 567 C GLU A 83 68.117 8.284 6.258 1.00 0.00 C ATOM 568 O GLU A 83 67.185 9.023 5.940 1.00 0.00 O ATOM 569 CB GLU A 83 69.805 8.781 8.040 1.00 0.00 C ATOM 570 CG GLU A 83 69.642 10.031 8.891 1.00 0.00 C ATOM 571 CD GLU A 83 69.354 9.713 10.345 1.00 0.00 C ATOM 572 OE1 GLU A 83 68.280 9.142 10.627 1.00 0.00 O ATOM 573 OE2 GLU A 83 70.204 10.035 11.202 1.00 0.00 O ATOM 0 H GLU A 83 69.515 6.346 8.303 1.00 0.00 H new ATOM 0 HA GLU A 83 67.697 8.510 8.340 1.00 0.00 H new ATOM 0 HB2 GLU A 83 70.464 8.083 8.557 1.00 0.00 H new ATOM 0 HB3 GLU A 83 70.296 9.050 7.105 1.00 0.00 H new ATOM 0 HG2 GLU A 83 70.550 10.631 8.827 1.00 0.00 H new ATOM 0 HG3 GLU A 83 68.831 10.637 8.488 1.00 0.00 H new ATOM 580 N GLU A 84 68.857 7.630 5.368 1.00 0.00 N ATOM 581 CA GLU A 84 68.610 7.745 3.936 1.00 0.00 C ATOM 582 C GLU A 84 67.209 7.258 3.580 1.00 0.00 C ATOM 583 O GLU A 84 66.526 7.858 2.752 1.00 0.00 O ATOM 584 CB GLU A 84 69.654 6.945 3.154 1.00 0.00 C ATOM 585 CG GLU A 84 70.841 7.777 2.696 1.00 0.00 C ATOM 586 CD GLU A 84 72.152 7.022 2.788 1.00 0.00 C ATOM 587 OE1 GLU A 84 72.146 5.792 2.566 1.00 0.00 O ATOM 588 OE2 GLU A 84 73.185 7.658 3.081 1.00 0.00 O ATOM 0 H GLU A 84 69.633 7.015 5.614 1.00 0.00 H new ATOM 0 HA GLU A 84 68.686 8.798 3.664 1.00 0.00 H new ATOM 0 HB2 GLU A 84 70.014 6.126 3.777 1.00 0.00 H new ATOM 0 HB3 GLU A 84 69.178 6.496 2.282 1.00 0.00 H new ATOM 0 HG2 GLU A 84 70.681 8.096 1.666 1.00 0.00 H new ATOM 0 HG3 GLU A 84 70.903 8.680 3.303 1.00 0.00 H new ATOM 595 N ALA A 85 66.786 6.167 4.208 1.00 0.00 N ATOM 596 CA ALA A 85 65.466 5.600 3.951 1.00 0.00 C ATOM 597 C ALA A 85 64.364 6.605 4.263 1.00 0.00 C ATOM 598 O ALA A 85 63.651 7.056 3.366 1.00 0.00 O ATOM 599 CB ALA A 85 65.271 4.330 4.767 1.00 0.00 C ATOM 0 H ALA A 85 67.337 5.657 4.899 1.00 0.00 H new ATOM 0 HA ALA A 85 65.405 5.353 2.891 1.00 0.00 H new ATOM 0 HB1 ALA A 85 64.283 3.917 4.566 1.00 0.00 H new ATOM 0 HB2 ALA A 85 66.032 3.600 4.492 1.00 0.00 H new ATOM 0 HB3 ALA A 85 65.358 4.562 5.828 1.00 0.00 H new ATOM 605 N LEU A 86 64.228 6.954 5.538 1.00 0.00 N ATOM 606 CA LEU A 86 63.211 7.908 5.967 1.00 0.00 C ATOM 607 C LEU A 86 63.391 9.248 5.258 1.00 0.00 C ATOM 608 O LEU A 86 62.422 9.969 5.022 1.00 0.00 O ATOM 609 CB LEU A 86 63.272 8.104 7.484 1.00 0.00 C ATOM 610 CG LEU A 86 62.366 9.207 8.036 1.00 0.00 C ATOM 611 CD1 LEU A 86 60.904 8.826 7.875 1.00 0.00 C ATOM 612 CD2 LEU A 86 62.690 9.481 9.497 1.00 0.00 C ATOM 0 H LEU A 86 64.810 6.590 6.293 1.00 0.00 H new ATOM 0 HA LEU A 86 62.233 7.506 5.701 1.00 0.00 H new ATOM 0 HB2 LEU A 86 63.007 7.163 7.967 1.00 0.00 H new ATOM 0 HB3 LEU A 86 64.301 8.327 7.764 1.00 0.00 H new ATOM 0 HG LEU A 86 62.547 10.119 7.467 1.00 0.00 H new ATOM 0 HD11 LEU A 86 60.275 9.622 8.273 1.00 0.00 H new ATOM 0 HD12 LEU A 86 60.680 8.680 6.818 1.00 0.00 H new ATOM 0 HD13 LEU A 86 60.707 7.902 8.418 1.00 0.00 H new ATOM 0 HD21 LEU A 86 62.036 10.268 9.873 1.00 0.00 H new ATOM 0 HD22 LEU A 86 62.537 8.573 10.080 1.00 0.00 H new ATOM 0 HD23 LEU A 86 63.729 9.799 9.586 1.00 0.00 H new ATOM 624 N GLU A 87 64.634 9.573 4.915 1.00 0.00 N ATOM 625 CA GLU A 87 64.929 10.825 4.227 1.00 0.00 C ATOM 626 C GLU A 87 64.133 10.915 2.930 1.00 0.00 C ATOM 627 O GLU A 87 63.679 11.989 2.540 1.00 0.00 O ATOM 628 CB GLU A 87 66.429 10.934 3.936 1.00 0.00 C ATOM 629 CG GLU A 87 66.807 12.170 3.134 1.00 0.00 C ATOM 630 CD GLU A 87 67.892 12.991 3.802 1.00 0.00 C ATOM 631 OE1 GLU A 87 67.595 13.649 4.823 1.00 0.00 O ATOM 632 OE2 GLU A 87 69.037 12.978 3.305 1.00 0.00 O ATOM 0 H GLU A 87 65.450 8.990 5.101 1.00 0.00 H new ATOM 0 HA GLU A 87 64.639 11.653 4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 87 66.974 10.943 4.880 1.00 0.00 H new ATOM 0 HB3 GLU A 87 66.750 10.046 3.392 1.00 0.00 H new ATOM 0 HG2 GLU A 87 67.145 11.866 2.143 1.00 0.00 H new ATOM 0 HG3 GLU A 87 65.922 12.791 2.992 1.00 0.00 H new ATOM 639 N LEU A 88 63.961 9.772 2.275 1.00 0.00 N ATOM 640 CA LEU A 88 63.213 9.709 1.028 1.00 0.00 C ATOM 641 C LEU A 88 61.715 9.775 1.305 1.00 0.00 C ATOM 642 O LEU A 88 61.020 10.661 0.809 1.00 0.00 O ATOM 643 CB LEU A 88 63.549 8.421 0.272 1.00 0.00 C ATOM 644 CG LEU A 88 65.019 8.262 -0.126 1.00 0.00 C ATOM 645 CD1 LEU A 88 65.203 7.036 -1.005 1.00 0.00 C ATOM 646 CD2 LEU A 88 65.519 9.511 -0.838 1.00 0.00 C ATOM 0 H LEU A 88 64.331 8.875 2.589 1.00 0.00 H new ATOM 0 HA LEU A 88 63.495 10.563 0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 88 63.263 7.571 0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 88 62.939 8.379 -0.630 1.00 0.00 H new ATOM 0 HG LEU A 88 65.608 8.126 0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 88 66.254 6.939 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 88 64.886 6.147 -0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 88 64.602 7.142 -1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 88 66.565 9.379 -1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 88 64.926 9.679 -1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 88 65.424 10.371 -0.175 1.00 0.00 H new ATOM 658 N ILE A 89 61.225 8.834 2.109 1.00 0.00 N ATOM 659 CA ILE A 89 59.811 8.782 2.463 1.00 0.00 C ATOM 660 C ILE A 89 59.347 10.116 3.056 1.00 0.00 C ATOM 661 O ILE A 89 58.347 10.686 2.615 1.00 0.00 O ATOM 662 CB ILE A 89 59.535 7.614 3.457 1.00 0.00 C ATOM 663 CG1 ILE A 89 58.568 6.593 2.840 1.00 0.00 C ATOM 664 CG2 ILE A 89 58.999 8.110 4.798 1.00 0.00 C ATOM 665 CD1 ILE A 89 59.228 5.648 1.862 1.00 0.00 C ATOM 0 H ILE A 89 61.790 8.095 2.528 1.00 0.00 H new ATOM 0 HA ILE A 89 59.241 8.599 1.552 1.00 0.00 H new ATOM 0 HB ILE A 89 60.491 7.127 3.649 1.00 0.00 H new ATOM 0 HG12 ILE A 89 58.108 6.012 3.639 1.00 0.00 H new ATOM 0 HG13 ILE A 89 57.765 7.127 2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 89 58.822 7.259 5.456 1.00 0.00 H new ATOM 0 HG22 ILE A 89 59.728 8.778 5.256 1.00 0.00 H new ATOM 0 HG23 ILE A 89 58.064 8.647 4.640 1.00 0.00 H new ATOM 0 HD11 ILE A 89 58.485 4.956 1.467 1.00 0.00 H new ATOM 0 HD12 ILE A 89 59.664 6.219 1.042 1.00 0.00 H new ATOM 0 HD13 ILE A 89 60.012 5.087 2.371 1.00 0.00 H new ATOM 677 N ASN A 90 60.077 10.607 4.052 1.00 0.00 N ATOM 678 CA ASN A 90 59.738 11.871 4.701 1.00 0.00 C ATOM 679 C ASN A 90 59.660 13.004 3.684 1.00 0.00 C ATOM 680 O ASN A 90 58.641 13.690 3.580 1.00 0.00 O ATOM 681 CB ASN A 90 60.768 12.206 5.781 1.00 0.00 C ATOM 682 CG ASN A 90 60.424 13.473 6.540 1.00 0.00 C ATOM 683 OD1 ASN A 90 59.478 14.181 6.193 1.00 0.00 O ATOM 684 ND2 ASN A 90 61.191 13.764 7.584 1.00 0.00 N ATOM 0 H ASN A 90 60.907 10.150 4.428 1.00 0.00 H new ATOM 0 HA ASN A 90 58.758 11.760 5.166 1.00 0.00 H new ATOM 0 HB2 ASN A 90 60.838 11.374 6.482 1.00 0.00 H new ATOM 0 HB3 ASN A 90 61.749 12.318 5.320 1.00 0.00 H new ATOM 0 HD21 ASN A 90 61.007 14.603 8.134 1.00 0.00 H new ATOM 0 HD22 ASN A 90 61.965 13.149 7.836 1.00 0.00 H new ATOM 691 N GLY A 91 60.739 13.194 2.931 1.00 0.00 N ATOM 692 CA GLY A 91 60.764 14.243 1.928 1.00 0.00 C ATOM 693 C GLY A 91 59.604 14.137 0.958 1.00 0.00 C ATOM 694 O GLY A 91 59.055 15.150 0.520 1.00 0.00 O ATOM 0 H GLY A 91 61.594 12.642 2.997 1.00 0.00 H new ATOM 0 HA2 GLY A 91 60.735 15.215 2.421 1.00 0.00 H new ATOM 0 HA3 GLY A 91 61.703 14.193 1.376 1.00 0.00 H new ATOM 698 N TYR A 92 59.226 12.906 0.627 1.00 0.00 N ATOM 699 CA TYR A 92 58.119 12.671 -0.292 1.00 0.00 C ATOM 700 C TYR A 92 56.804 13.133 0.324 1.00 0.00 C ATOM 701 O TYR A 92 55.950 13.698 -0.359 1.00 0.00 O ATOM 702 CB TYR A 92 58.026 11.186 -0.659 1.00 0.00 C ATOM 703 CG TYR A 92 59.292 10.611 -1.257 1.00 0.00 C ATOM 704 CD1 TYR A 92 60.181 11.411 -1.964 1.00 0.00 C ATOM 705 CD2 TYR A 92 59.594 9.263 -1.114 1.00 0.00 C ATOM 706 CE1 TYR A 92 61.334 10.882 -2.512 1.00 0.00 C ATOM 707 CE2 TYR A 92 60.744 8.727 -1.658 1.00 0.00 C ATOM 708 CZ TYR A 92 61.611 9.539 -2.358 1.00 0.00 C ATOM 709 OH TYR A 92 62.758 9.008 -2.903 1.00 0.00 O ATOM 0 H TYR A 92 59.669 12.058 0.981 1.00 0.00 H new ATOM 0 HA TYR A 92 58.306 13.246 -1.199 1.00 0.00 H new ATOM 0 HB2 TYR A 92 57.770 10.618 0.236 1.00 0.00 H new ATOM 0 HB3 TYR A 92 57.209 11.049 -1.368 1.00 0.00 H new ATOM 0 HD1 TYR A 92 59.968 12.463 -2.087 1.00 0.00 H new ATOM 0 HD2 TYR A 92 58.917 8.623 -0.568 1.00 0.00 H new ATOM 0 HE1 TYR A 92 62.015 11.517 -3.059 1.00 0.00 H new ATOM 0 HE2 TYR A 92 60.964 7.677 -1.536 1.00 0.00 H new ATOM 0 HH TYR A 92 62.627 8.862 -3.863 1.00 0.00 H new ATOM 719 N ILE A 93 56.650 12.887 1.622 1.00 0.00 N ATOM 720 CA ILE A 93 55.441 13.274 2.338 1.00 0.00 C ATOM 721 C ILE A 93 55.215 14.782 2.248 1.00 0.00 C ATOM 722 O ILE A 93 54.086 15.243 2.076 1.00 0.00 O ATOM 723 CB ILE A 93 55.514 12.829 3.823 1.00 0.00 C ATOM 724 CG1 ILE A 93 54.287 11.990 4.186 1.00 0.00 C ATOM 725 CG2 ILE A 93 55.643 14.021 4.766 1.00 0.00 C ATOM 726 CD1 ILE A 93 54.347 11.403 5.579 1.00 0.00 C ATOM 0 H ILE A 93 57.350 12.420 2.199 1.00 0.00 H new ATOM 0 HA ILE A 93 54.597 12.770 1.867 1.00 0.00 H new ATOM 0 HB ILE A 93 56.410 12.220 3.942 1.00 0.00 H new ATOM 0 HG12 ILE A 93 53.395 12.610 4.100 1.00 0.00 H new ATOM 0 HG13 ILE A 93 54.184 11.180 3.463 1.00 0.00 H new ATOM 0 HG21 ILE A 93 55.691 13.667 5.796 1.00 0.00 H new ATOM 0 HG22 ILE A 93 56.552 14.575 4.530 1.00 0.00 H new ATOM 0 HG23 ILE A 93 54.779 14.674 4.647 1.00 0.00 H new ATOM 0 HD11 ILE A 93 53.445 10.821 5.768 1.00 0.00 H new ATOM 0 HD12 ILE A 93 55.220 10.756 5.664 1.00 0.00 H new ATOM 0 HD13 ILE A 93 54.419 12.208 6.310 1.00 0.00 H new ATOM 738 N GLN A 94 56.297 15.540 2.371 1.00 0.00 N ATOM 739 CA GLN A 94 56.223 16.996 2.308 1.00 0.00 C ATOM 740 C GLN A 94 55.740 17.470 0.939 1.00 0.00 C ATOM 741 O GLN A 94 54.706 18.128 0.830 1.00 0.00 O ATOM 742 CB GLN A 94 57.591 17.608 2.616 1.00 0.00 C ATOM 743 CG GLN A 94 57.604 19.128 2.576 1.00 0.00 C ATOM 744 CD GLN A 94 57.016 19.749 3.828 1.00 0.00 C ATOM 745 OE1 GLN A 94 55.915 20.298 3.805 1.00 0.00 O ATOM 746 NE2 GLN A 94 57.752 19.665 4.931 1.00 0.00 N ATOM 0 H GLN A 94 57.237 15.172 2.515 1.00 0.00 H new ATOM 0 HA GLN A 94 55.502 17.326 3.056 1.00 0.00 H new ATOM 0 HB2 GLN A 94 57.913 17.277 3.603 1.00 0.00 H new ATOM 0 HB3 GLN A 94 58.319 17.228 1.899 1.00 0.00 H new ATOM 0 HG2 GLN A 94 58.629 19.476 2.449 1.00 0.00 H new ATOM 0 HG3 GLN A 94 57.042 19.470 1.707 1.00 0.00 H new ATOM 0 HE21 GLN A 94 58.660 19.200 4.904 1.00 0.00 H new ATOM 0 HE22 GLN A 94 57.409 20.065 5.804 1.00 0.00 H new ATOM 755 N LYS A 95 56.502 17.141 -0.101 1.00 0.00 N ATOM 756 CA LYS A 95 56.159 17.542 -1.466 1.00 0.00 C ATOM 757 C LYS A 95 54.691 17.260 -1.788 1.00 0.00 C ATOM 758 O LYS A 95 53.952 18.156 -2.205 1.00 0.00 O ATOM 759 CB LYS A 95 57.059 16.821 -2.470 1.00 0.00 C ATOM 760 CG LYS A 95 58.542 16.982 -2.178 1.00 0.00 C ATOM 761 CD LYS A 95 59.394 16.504 -3.344 1.00 0.00 C ATOM 762 CE LYS A 95 60.762 16.036 -2.877 1.00 0.00 C ATOM 763 NZ LYS A 95 60.811 14.560 -2.688 1.00 0.00 N ATOM 0 H LYS A 95 57.362 16.597 -0.026 1.00 0.00 H new ATOM 0 HA LYS A 95 56.318 18.618 -1.542 1.00 0.00 H new ATOM 0 HB2 LYS A 95 56.810 15.760 -2.473 1.00 0.00 H new ATOM 0 HB3 LYS A 95 56.850 17.200 -3.471 1.00 0.00 H new ATOM 0 HG2 LYS A 95 58.762 18.029 -1.971 1.00 0.00 H new ATOM 0 HG3 LYS A 95 58.801 16.418 -1.282 1.00 0.00 H new ATOM 0 HD2 LYS A 95 58.885 15.689 -3.858 1.00 0.00 H new ATOM 0 HD3 LYS A 95 59.511 17.312 -4.066 1.00 0.00 H new ATOM 0 HE2 LYS A 95 61.516 16.333 -3.606 1.00 0.00 H new ATOM 0 HE3 LYS A 95 61.014 16.530 -1.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 61.715 14.194 -3.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 60.726 14.337 -1.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 60.026 14.117 -3.207 1.00 0.00 H new ATOM 777 N ILE A 96 54.273 16.014 -1.596 1.00 0.00 N ATOM 778 CA ILE A 96 52.896 15.621 -1.870 1.00 0.00 C ATOM 779 C ILE A 96 51.916 16.423 -1.022 1.00 0.00 C ATOM 780 O ILE A 96 50.965 17.007 -1.540 1.00 0.00 O ATOM 781 CB ILE A 96 52.680 14.117 -1.613 1.00 0.00 C ATOM 782 CG1 ILE A 96 53.677 13.299 -2.433 1.00 0.00 C ATOM 783 CG2 ILE A 96 51.252 13.714 -1.958 1.00 0.00 C ATOM 784 CD1 ILE A 96 53.887 11.894 -1.909 1.00 0.00 C ATOM 0 H ILE A 96 54.867 15.260 -1.252 1.00 0.00 H new ATOM 0 HA ILE A 96 52.710 15.829 -2.924 1.00 0.00 H new ATOM 0 HB ILE A 96 52.845 13.916 -0.554 1.00 0.00 H new ATOM 0 HG12 ILE A 96 53.328 13.244 -3.464 1.00 0.00 H new ATOM 0 HG13 ILE A 96 54.635 13.819 -2.448 1.00 0.00 H new ATOM 0 HG21 ILE A 96 51.119 12.649 -1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 96 50.555 14.281 -1.341 1.00 0.00 H new ATOM 0 HG23 ILE A 96 51.059 13.924 -3.010 1.00 0.00 H new ATOM 0 HD11 ILE A 96 54.607 11.374 -2.541 1.00 0.00 H new ATOM 0 HD12 ILE A 96 54.266 11.939 -0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 96 52.939 11.356 -1.920 1.00 0.00 H new ATOM 796 N LYS A 97 52.155 16.448 0.284 1.00 0.00 N ATOM 797 CA LYS A 97 51.292 17.180 1.201 1.00 0.00 C ATOM 798 C LYS A 97 51.339 18.681 0.923 1.00 0.00 C ATOM 799 O LYS A 97 50.430 19.417 1.305 1.00 0.00 O ATOM 800 CB LYS A 97 51.699 16.907 2.650 1.00 0.00 C ATOM 801 CG LYS A 97 50.579 17.139 3.650 1.00 0.00 C ATOM 802 CD LYS A 97 50.349 15.920 4.528 1.00 0.00 C ATOM 803 CE LYS A 97 49.182 15.083 4.026 1.00 0.00 C ATOM 804 NZ LYS A 97 47.961 15.907 3.803 1.00 0.00 N ATOM 0 H LYS A 97 52.938 15.970 0.730 1.00 0.00 H new ATOM 0 HA LYS A 97 50.270 16.833 1.045 1.00 0.00 H new ATOM 0 HB2 LYS A 97 52.042 15.876 2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 97 52.543 17.546 2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 97 50.822 17.998 4.276 1.00 0.00 H new ATOM 0 HG3 LYS A 97 49.660 17.383 3.117 1.00 0.00 H new ATOM 0 HD2 LYS A 97 51.252 15.310 4.550 1.00 0.00 H new ATOM 0 HD3 LYS A 97 50.155 16.239 5.552 1.00 0.00 H new ATOM 0 HE2 LYS A 97 49.463 14.591 3.095 1.00 0.00 H new ATOM 0 HE3 LYS A 97 48.962 14.297 4.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 47.119 15.298 3.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 47.897 16.639 4.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 48.014 16.360 2.868 1.00 0.00 H new ATOM 818 N SER A 98 52.400 19.133 0.256 1.00 0.00 N ATOM 819 CA SER A 98 52.547 20.547 -0.064 1.00 0.00 C ATOM 820 C SER A 98 51.784 20.901 -1.336 1.00 0.00 C ATOM 821 O SER A 98 51.453 22.064 -1.570 1.00 0.00 O ATOM 822 CB SER A 98 54.025 20.909 -0.221 1.00 0.00 C ATOM 823 OG SER A 98 54.479 20.657 -1.540 1.00 0.00 O ATOM 0 H SER A 98 53.165 18.542 -0.071 1.00 0.00 H new ATOM 0 HA SER A 98 52.127 21.124 0.760 1.00 0.00 H new ATOM 0 HB2 SER A 98 54.172 21.961 0.022 1.00 0.00 H new ATOM 0 HB3 SER A 98 54.620 20.333 0.487 1.00 0.00 H new ATOM 0 HG SER A 98 54.536 19.690 -1.687 1.00 0.00 H new ATOM 829 N GLY A 99 51.515 19.894 -2.163 1.00 0.00 N ATOM 830 CA GLY A 99 50.804 20.125 -3.403 1.00 0.00 C ATOM 831 C GLY A 99 51.745 20.392 -4.564 1.00 0.00 C ATOM 832 O GLY A 99 51.303 20.699 -5.671 1.00 0.00 O ATOM 0 H GLY A 99 51.778 18.923 -1.994 1.00 0.00 H new ATOM 0 HA2 GLY A 99 50.185 19.257 -3.632 1.00 0.00 H new ATOM 0 HA3 GLY A 99 50.131 20.974 -3.281 1.00 0.00 H new ATOM 836 N GLU A 100 53.046 20.275 -4.309 1.00 0.00 N ATOM 837 CA GLU A 100 54.049 20.503 -5.340 1.00 0.00 C ATOM 838 C GLU A 100 54.263 19.243 -6.168 1.00 0.00 C ATOM 839 O GLU A 100 54.263 19.292 -7.398 1.00 0.00 O ATOM 840 CB GLU A 100 55.371 20.942 -4.706 1.00 0.00 C ATOM 841 CG GLU A 100 56.135 21.960 -5.538 1.00 0.00 C ATOM 842 CD GLU A 100 56.368 21.491 -6.961 1.00 0.00 C ATOM 843 OE1 GLU A 100 56.872 20.363 -7.141 1.00 0.00 O ATOM 844 OE2 GLU A 100 56.048 22.255 -7.897 1.00 0.00 O ATOM 0 H GLU A 100 53.428 20.024 -3.397 1.00 0.00 H new ATOM 0 HA GLU A 100 53.690 21.295 -5.997 1.00 0.00 H new ATOM 0 HB2 GLU A 100 55.170 21.366 -3.722 1.00 0.00 H new ATOM 0 HB3 GLU A 100 56.000 20.065 -4.552 1.00 0.00 H new ATOM 0 HG2 GLU A 100 55.582 22.899 -5.555 1.00 0.00 H new ATOM 0 HG3 GLU A 100 57.095 22.164 -5.064 1.00 0.00 H new ATOM 851 N GLU A 101 54.443 18.115 -5.489 1.00 0.00 N ATOM 852 CA GLU A 101 54.657 16.846 -6.172 1.00 0.00 C ATOM 853 C GLU A 101 53.640 15.809 -5.712 1.00 0.00 C ATOM 854 O GLU A 101 53.808 15.183 -4.666 1.00 0.00 O ATOM 855 CB GLU A 101 56.074 16.342 -5.917 1.00 0.00 C ATOM 856 CG GLU A 101 57.148 17.379 -6.201 1.00 0.00 C ATOM 857 CD GLU A 101 58.356 16.789 -6.901 1.00 0.00 C ATOM 858 OE1 GLU A 101 58.186 15.805 -7.651 1.00 0.00 O ATOM 859 OE2 GLU A 101 59.473 17.311 -6.700 1.00 0.00 O ATOM 0 H GLU A 101 54.445 18.054 -4.471 1.00 0.00 H new ATOM 0 HA GLU A 101 54.526 17.006 -7.242 1.00 0.00 H new ATOM 0 HB2 GLU A 101 56.155 16.022 -4.878 1.00 0.00 H new ATOM 0 HB3 GLU A 101 56.256 15.464 -6.537 1.00 0.00 H new ATOM 0 HG2 GLU A 101 56.727 18.173 -6.818 1.00 0.00 H new ATOM 0 HG3 GLU A 101 57.463 17.837 -5.263 1.00 0.00 H new ATOM 866 N ASP A 102 52.583 15.640 -6.498 1.00 0.00 N ATOM 867 CA ASP A 102 51.524 14.687 -6.174 1.00 0.00 C ATOM 868 C ASP A 102 52.092 13.342 -5.732 1.00 0.00 C ATOM 869 O ASP A 102 53.242 13.012 -6.019 1.00 0.00 O ATOM 870 CB ASP A 102 50.580 14.520 -7.376 1.00 0.00 C ATOM 871 CG ASP A 102 50.118 13.088 -7.587 1.00 0.00 C ATOM 872 OD1 ASP A 102 49.331 12.589 -6.755 1.00 0.00 O ATOM 873 OD2 ASP A 102 50.540 12.469 -8.586 1.00 0.00 O ATOM 0 H ASP A 102 52.435 16.152 -7.368 1.00 0.00 H new ATOM 0 HA ASP A 102 50.955 15.085 -5.334 1.00 0.00 H new ATOM 0 HB2 ASP A 102 49.708 15.158 -7.235 1.00 0.00 H new ATOM 0 HB3 ASP A 102 51.086 14.867 -8.277 1.00 0.00 H new ATOM 878 N PHE A 103 51.267 12.573 -5.030 1.00 0.00 N ATOM 879 CA PHE A 103 51.666 11.266 -4.543 1.00 0.00 C ATOM 880 C PHE A 103 51.960 10.335 -5.711 1.00 0.00 C ATOM 881 O PHE A 103 53.003 9.680 -5.753 1.00 0.00 O ATOM 882 CB PHE A 103 50.566 10.682 -3.660 1.00 0.00 C ATOM 883 CG PHE A 103 51.054 9.626 -2.712 1.00 0.00 C ATOM 884 CD1 PHE A 103 51.464 8.388 -3.181 1.00 0.00 C ATOM 885 CD2 PHE A 103 51.110 9.875 -1.351 1.00 0.00 C ATOM 886 CE1 PHE A 103 51.922 7.419 -2.310 1.00 0.00 C ATOM 887 CE2 PHE A 103 51.564 8.909 -0.473 1.00 0.00 C ATOM 888 CZ PHE A 103 51.971 7.679 -0.952 1.00 0.00 C ATOM 0 H PHE A 103 50.313 12.838 -4.786 1.00 0.00 H new ATOM 0 HA PHE A 103 52.574 11.371 -3.949 1.00 0.00 H new ATOM 0 HB2 PHE A 103 50.105 11.487 -3.088 1.00 0.00 H new ATOM 0 HB3 PHE A 103 49.789 10.257 -4.295 1.00 0.00 H new ATOM 0 HD1 PHE A 103 51.425 8.179 -4.240 1.00 0.00 H new ATOM 0 HD2 PHE A 103 50.795 10.836 -0.971 1.00 0.00 H new ATOM 0 HE1 PHE A 103 52.242 6.459 -2.689 1.00 0.00 H new ATOM 0 HE2 PHE A 103 51.601 9.116 0.586 1.00 0.00 H new ATOM 0 HZ PHE A 103 52.327 6.922 -0.268 1.00 0.00 H new ATOM 898 N GLU A 104 51.039 10.294 -6.668 1.00 0.00 N ATOM 899 CA GLU A 104 51.203 9.461 -7.851 1.00 0.00 C ATOM 900 C GLU A 104 52.500 9.830 -8.568 1.00 0.00 C ATOM 901 O GLU A 104 53.253 8.963 -9.004 1.00 0.00 O ATOM 902 CB GLU A 104 49.987 9.619 -8.780 1.00 0.00 C ATOM 903 CG GLU A 104 50.318 10.064 -10.199 1.00 0.00 C ATOM 904 CD GLU A 104 49.081 10.411 -11.005 1.00 0.00 C ATOM 905 OE1 GLU A 104 47.997 10.550 -10.400 1.00 0.00 O ATOM 906 OE2 GLU A 104 49.196 10.542 -12.242 1.00 0.00 O ATOM 0 H GLU A 104 50.171 10.829 -6.646 1.00 0.00 H new ATOM 0 HA GLU A 104 51.264 8.414 -7.553 1.00 0.00 H new ATOM 0 HB2 GLU A 104 49.458 8.667 -8.827 1.00 0.00 H new ATOM 0 HB3 GLU A 104 49.302 10.343 -8.338 1.00 0.00 H new ATOM 0 HG2 GLU A 104 50.977 10.932 -10.159 1.00 0.00 H new ATOM 0 HG3 GLU A 104 50.867 9.270 -10.706 1.00 0.00 H new ATOM 913 N SER A 105 52.756 11.127 -8.673 1.00 0.00 N ATOM 914 CA SER A 105 53.965 11.609 -9.324 1.00 0.00 C ATOM 915 C SER A 105 55.196 11.200 -8.526 1.00 0.00 C ATOM 916 O SER A 105 56.107 10.557 -9.054 1.00 0.00 O ATOM 917 CB SER A 105 53.922 13.132 -9.472 1.00 0.00 C ATOM 918 OG SER A 105 54.281 13.774 -8.262 1.00 0.00 O ATOM 0 H SER A 105 52.144 11.862 -8.317 1.00 0.00 H new ATOM 0 HA SER A 105 54.022 11.161 -10.316 1.00 0.00 H new ATOM 0 HB2 SER A 105 54.601 13.442 -10.267 1.00 0.00 H new ATOM 0 HB3 SER A 105 52.920 13.443 -9.769 1.00 0.00 H new ATOM 0 HG SER A 105 53.602 13.589 -7.580 1.00 0.00 H new ATOM 924 N LEU A 106 55.220 11.569 -7.248 1.00 0.00 N ATOM 925 CA LEU A 106 56.345 11.229 -6.389 1.00 0.00 C ATOM 926 C LEU A 106 56.513 9.719 -6.284 1.00 0.00 C ATOM 927 O LEU A 106 57.518 9.169 -6.744 1.00 0.00 O ATOM 928 CB LEU A 106 56.153 11.844 -4.997 1.00 0.00 C ATOM 929 CG LEU A 106 57.379 12.564 -4.424 1.00 0.00 C ATOM 930 CD1 LEU A 106 58.031 13.448 -5.474 1.00 0.00 C ATOM 931 CD2 LEU A 106 56.988 13.396 -3.217 1.00 0.00 C ATOM 0 H LEU A 106 54.479 12.099 -6.790 1.00 0.00 H new ATOM 0 HA LEU A 106 57.251 11.640 -6.834 1.00 0.00 H new ATOM 0 HB2 LEU A 106 55.325 12.551 -5.041 1.00 0.00 H new ATOM 0 HB3 LEU A 106 55.860 11.054 -4.306 1.00 0.00 H new ATOM 0 HG LEU A 106 58.100 11.807 -4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 106 58.898 13.947 -5.042 1.00 0.00 H new ATOM 0 HD12 LEU A 106 58.348 12.836 -6.319 1.00 0.00 H new ATOM 0 HD13 LEU A 106 57.315 14.195 -5.816 1.00 0.00 H new ATOM 0 HD21 LEU A 106 57.870 13.901 -2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 106 56.246 14.138 -3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 106 56.567 12.747 -2.449 1.00 0.00 H new ATOM 943 N ALA A 107 55.522 9.048 -5.688 1.00 0.00 N ATOM 944 CA ALA A 107 55.558 7.592 -5.532 1.00 0.00 C ATOM 945 C ALA A 107 56.219 6.936 -6.726 1.00 0.00 C ATOM 946 O ALA A 107 57.224 6.259 -6.590 1.00 0.00 O ATOM 947 CB ALA A 107 54.157 7.029 -5.344 1.00 0.00 C ATOM 0 H ALA A 107 54.686 9.490 -5.306 1.00 0.00 H new ATOM 0 HA ALA A 107 56.146 7.372 -4.641 1.00 0.00 H new ATOM 0 HB1 ALA A 107 54.212 5.946 -5.231 1.00 0.00 H new ATOM 0 HB2 ALA A 107 53.706 7.465 -4.452 1.00 0.00 H new ATOM 0 HB3 ALA A 107 53.547 7.272 -6.214 1.00 0.00 H new ATOM 953 N SER A 108 55.649 7.152 -7.897 1.00 0.00 N ATOM 954 CA SER A 108 56.184 6.583 -9.123 1.00 0.00 C ATOM 955 C SER A 108 57.705 6.739 -9.220 1.00 0.00 C ATOM 956 O SER A 108 58.430 5.750 -9.348 1.00 0.00 O ATOM 957 CB SER A 108 55.519 7.244 -10.335 1.00 0.00 C ATOM 958 OG SER A 108 56.372 7.225 -11.468 1.00 0.00 O ATOM 0 H SER A 108 54.812 7.720 -8.027 1.00 0.00 H new ATOM 0 HA SER A 108 55.964 5.516 -9.110 1.00 0.00 H new ATOM 0 HB2 SER A 108 54.589 6.726 -10.569 1.00 0.00 H new ATOM 0 HB3 SER A 108 55.258 8.274 -10.092 1.00 0.00 H new ATOM 0 HG SER A 108 56.942 8.022 -11.462 1.00 0.00 H new ATOM 964 N GLN A 109 58.181 7.984 -9.167 1.00 0.00 N ATOM 965 CA GLN A 109 59.613 8.266 -9.298 1.00 0.00 C ATOM 966 C GLN A 109 60.431 7.755 -8.124 1.00 0.00 C ATOM 967 O GLN A 109 61.661 7.795 -8.158 1.00 0.00 O ATOM 968 CB GLN A 109 59.837 9.773 -9.442 1.00 0.00 C ATOM 969 CG GLN A 109 59.324 10.348 -10.754 1.00 0.00 C ATOM 970 CD GLN A 109 59.807 9.570 -11.963 1.00 0.00 C ATOM 971 OE1 GLN A 109 60.995 9.276 -12.092 1.00 0.00 O ATOM 972 NE2 GLN A 109 58.884 9.232 -12.856 1.00 0.00 N ATOM 0 H GLN A 109 57.599 8.811 -9.035 1.00 0.00 H new ATOM 0 HA GLN A 109 59.952 7.737 -10.189 1.00 0.00 H new ATOM 0 HB2 GLN A 109 59.345 10.285 -8.615 1.00 0.00 H new ATOM 0 HB3 GLN A 109 60.903 9.982 -9.357 1.00 0.00 H new ATOM 0 HG2 GLN A 109 58.234 10.353 -10.742 1.00 0.00 H new ATOM 0 HG3 GLN A 109 59.647 11.385 -10.842 1.00 0.00 H new ATOM 0 HE21 GLN A 109 57.910 9.497 -12.708 1.00 0.00 H new ATOM 0 HE22 GLN A 109 59.149 8.707 -13.690 1.00 0.00 H new ATOM 981 N PHE A 110 59.765 7.276 -7.090 1.00 0.00 N ATOM 982 CA PHE A 110 60.471 6.765 -5.925 1.00 0.00 C ATOM 983 C PHE A 110 59.834 5.485 -5.395 1.00 0.00 C ATOM 984 O PHE A 110 60.237 4.973 -4.350 1.00 0.00 O ATOM 985 CB PHE A 110 60.500 7.834 -4.835 1.00 0.00 C ATOM 986 CG PHE A 110 61.049 9.149 -5.312 1.00 0.00 C ATOM 987 CD1 PHE A 110 62.328 9.227 -5.840 1.00 0.00 C ATOM 988 CD2 PHE A 110 60.290 10.308 -5.229 1.00 0.00 C ATOM 989 CE1 PHE A 110 62.842 10.433 -6.276 1.00 0.00 C ATOM 990 CE2 PHE A 110 60.803 11.516 -5.664 1.00 0.00 C ATOM 991 CZ PHE A 110 62.078 11.579 -6.185 1.00 0.00 C ATOM 0 H PHE A 110 58.748 7.229 -7.030 1.00 0.00 H new ATOM 0 HA PHE A 110 61.490 6.521 -6.225 1.00 0.00 H new ATOM 0 HB2 PHE A 110 59.489 7.985 -4.456 1.00 0.00 H new ATOM 0 HB3 PHE A 110 61.103 7.477 -4.000 1.00 0.00 H new ATOM 0 HD1 PHE A 110 62.931 8.334 -5.912 1.00 0.00 H new ATOM 0 HD2 PHE A 110 59.291 10.266 -4.821 1.00 0.00 H new ATOM 0 HE1 PHE A 110 63.840 10.479 -6.687 1.00 0.00 H new ATOM 0 HE2 PHE A 110 60.204 12.412 -5.596 1.00 0.00 H new ATOM 0 HZ PHE A 110 62.478 12.524 -6.521 1.00 0.00 H new ATOM 1001 N SER A 111 58.831 4.975 -6.103 1.00 0.00 N ATOM 1002 CA SER A 111 58.144 3.764 -5.670 1.00 0.00 C ATOM 1003 C SER A 111 58.945 2.504 -5.986 1.00 0.00 C ATOM 1004 O SER A 111 59.094 2.130 -7.147 1.00 0.00 O ATOM 1005 CB SER A 111 56.755 3.680 -6.310 1.00 0.00 C ATOM 1006 OG SER A 111 56.791 4.073 -7.673 1.00 0.00 O ATOM 0 H SER A 111 58.479 5.377 -6.971 1.00 0.00 H new ATOM 0 HA SER A 111 58.039 3.823 -4.587 1.00 0.00 H new ATOM 0 HB2 SER A 111 56.378 2.660 -6.233 1.00 0.00 H new ATOM 0 HB3 SER A 111 56.061 4.319 -5.763 1.00 0.00 H new ATOM 0 HG SER A 111 57.689 3.920 -8.034 1.00 0.00 H new ATOM 1012 N ASP A 112 59.433 1.834 -4.946 1.00 0.00 N ATOM 1013 CA ASP A 112 60.179 0.596 -5.132 1.00 0.00 C ATOM 1014 C ASP A 112 59.228 -0.597 -5.072 1.00 0.00 C ATOM 1015 O ASP A 112 59.606 -1.727 -5.382 1.00 0.00 O ATOM 1016 CB ASP A 112 61.268 0.456 -4.067 1.00 0.00 C ATOM 1017 CG ASP A 112 62.542 1.189 -4.443 1.00 0.00 C ATOM 1018 OD1 ASP A 112 62.652 2.391 -4.122 1.00 0.00 O ATOM 1019 OD2 ASP A 112 63.429 0.561 -5.057 1.00 0.00 O ATOM 0 H ASP A 112 59.326 2.125 -3.974 1.00 0.00 H new ATOM 0 HA ASP A 112 60.658 0.622 -6.111 1.00 0.00 H new ATOM 0 HB2 ASP A 112 60.896 0.842 -3.118 1.00 0.00 H new ATOM 0 HB3 ASP A 112 61.491 -0.600 -3.916 1.00 0.00 H new ATOM 1024 N CYS A 113 57.984 -0.326 -4.683 1.00 0.00 N ATOM 1025 CA CYS A 113 56.960 -1.356 -4.592 1.00 0.00 C ATOM 1026 C CYS A 113 56.408 -1.676 -5.972 1.00 0.00 C ATOM 1027 O CYS A 113 56.513 -0.866 -6.893 1.00 0.00 O ATOM 1028 CB CYS A 113 55.814 -0.896 -3.678 1.00 0.00 C ATOM 1029 SG CYS A 113 55.283 0.812 -3.940 1.00 0.00 S ATOM 0 H CYS A 113 57.662 0.607 -4.425 1.00 0.00 H new ATOM 0 HA CYS A 113 57.416 -2.252 -4.170 1.00 0.00 H new ATOM 0 HB2 CYS A 113 54.959 -1.556 -3.829 1.00 0.00 H new ATOM 0 HB3 CYS A 113 56.126 -1.011 -2.640 1.00 0.00 H new ATOM 0 HG CYS A 113 54.057 0.953 -3.531 1.00 0.00 H new ATOM 1035 N SER A 114 55.806 -2.850 -6.113 1.00 0.00 N ATOM 1036 CA SER A 114 55.228 -3.250 -7.387 1.00 0.00 C ATOM 1037 C SER A 114 54.165 -2.244 -7.826 1.00 0.00 C ATOM 1038 O SER A 114 53.830 -2.153 -9.007 1.00 0.00 O ATOM 1039 CB SER A 114 54.625 -4.650 -7.283 1.00 0.00 C ATOM 1040 OG SER A 114 53.464 -4.649 -6.470 1.00 0.00 O ATOM 0 H SER A 114 55.706 -3.537 -5.366 1.00 0.00 H new ATOM 0 HA SER A 114 56.019 -3.269 -8.136 1.00 0.00 H new ATOM 0 HB2 SER A 114 54.375 -5.016 -8.279 1.00 0.00 H new ATOM 0 HB3 SER A 114 55.363 -5.337 -6.867 1.00 0.00 H new ATOM 0 HG SER A 114 53.098 -5.557 -6.422 1.00 0.00 H new ATOM 1046 N SER A 115 53.649 -1.477 -6.863 1.00 0.00 N ATOM 1047 CA SER A 115 52.643 -0.465 -7.147 1.00 0.00 C ATOM 1048 C SER A 115 53.214 0.594 -8.079 1.00 0.00 C ATOM 1049 O SER A 115 52.491 1.180 -8.882 1.00 0.00 O ATOM 1050 CB SER A 115 52.156 0.184 -5.850 1.00 0.00 C ATOM 1051 OG SER A 115 51.507 -0.763 -5.019 1.00 0.00 O ATOM 0 H SER A 115 53.915 -1.542 -5.880 1.00 0.00 H new ATOM 0 HA SER A 115 51.795 -0.946 -7.635 1.00 0.00 H new ATOM 0 HB2 SER A 115 53.001 0.620 -5.318 1.00 0.00 H new ATOM 0 HB3 SER A 115 51.471 0.999 -6.082 1.00 0.00 H new ATOM 0 HG SER A 115 51.860 -0.694 -4.107 1.00 0.00 H new ATOM 1057 N ALA A 116 54.523 0.824 -7.967 1.00 0.00 N ATOM 1058 CA ALA A 116 55.220 1.800 -8.800 1.00 0.00 C ATOM 1059 C ALA A 116 54.709 1.767 -10.238 1.00 0.00 C ATOM 1060 O ALA A 116 54.650 2.796 -10.911 1.00 0.00 O ATOM 1061 CB ALA A 116 56.716 1.533 -8.768 1.00 0.00 C ATOM 0 H ALA A 116 55.125 0.341 -7.300 1.00 0.00 H new ATOM 0 HA ALA A 116 55.022 2.794 -8.398 1.00 0.00 H new ATOM 0 HB1 ALA A 116 57.230 2.265 -9.392 1.00 0.00 H new ATOM 0 HB2 ALA A 116 57.078 1.612 -7.743 1.00 0.00 H new ATOM 0 HB3 ALA A 116 56.915 0.530 -9.147 1.00 0.00 H new ATOM 1067 N LYS A 117 54.322 0.579 -10.696 1.00 0.00 N ATOM 1068 CA LYS A 117 53.796 0.413 -12.047 1.00 0.00 C ATOM 1069 C LYS A 117 52.625 1.368 -12.269 1.00 0.00 C ATOM 1070 O LYS A 117 52.510 1.998 -13.320 1.00 0.00 O ATOM 1071 CB LYS A 117 53.358 -1.041 -12.265 1.00 0.00 C ATOM 1072 CG LYS A 117 52.376 -1.234 -13.412 1.00 0.00 C ATOM 1073 CD LYS A 117 50.939 -1.286 -12.915 1.00 0.00 C ATOM 1074 CE LYS A 117 50.728 -2.419 -11.922 1.00 0.00 C ATOM 1075 NZ LYS A 117 51.460 -3.654 -12.316 1.00 0.00 N ATOM 0 H LYS A 117 54.363 -0.282 -10.151 1.00 0.00 H new ATOM 0 HA LYS A 117 54.578 0.649 -12.769 1.00 0.00 H new ATOM 0 HB2 LYS A 117 54.242 -1.650 -12.453 1.00 0.00 H new ATOM 0 HB3 LYS A 117 52.904 -1.413 -11.347 1.00 0.00 H new ATOM 0 HG2 LYS A 117 52.485 -0.418 -14.127 1.00 0.00 H new ATOM 0 HG3 LYS A 117 52.612 -2.156 -13.943 1.00 0.00 H new ATOM 0 HD2 LYS A 117 50.682 -0.337 -12.444 1.00 0.00 H new ATOM 0 HD3 LYS A 117 50.265 -1.414 -13.762 1.00 0.00 H new ATOM 0 HE2 LYS A 117 51.061 -2.101 -10.934 1.00 0.00 H new ATOM 0 HE3 LYS A 117 49.663 -2.639 -11.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 51.041 -4.475 -11.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 51.391 -3.785 -13.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 52.460 -3.566 -12.044 1.00 0.00 H new ATOM 1089 N ALA A 118 51.773 1.481 -11.257 1.00 0.00 N ATOM 1090 CA ALA A 118 50.622 2.371 -11.312 1.00 0.00 C ATOM 1091 C ALA A 118 50.913 3.670 -10.563 1.00 0.00 C ATOM 1092 O ALA A 118 49.998 4.409 -10.198 1.00 0.00 O ATOM 1093 CB ALA A 118 49.393 1.685 -10.731 1.00 0.00 C ATOM 0 H ALA A 118 51.860 0.963 -10.383 1.00 0.00 H new ATOM 0 HA ALA A 118 50.422 2.613 -12.356 1.00 0.00 H new ATOM 0 HB1 ALA A 118 48.541 2.363 -10.779 1.00 0.00 H new ATOM 0 HB2 ALA A 118 49.173 0.785 -11.305 1.00 0.00 H new ATOM 0 HB3 ALA A 118 49.584 1.415 -9.692 1.00 0.00 H new ATOM 1099 N ARG A 119 52.200 3.941 -10.345 1.00 0.00 N ATOM 1100 CA ARG A 119 52.638 5.146 -9.651 1.00 0.00 C ATOM 1101 C ARG A 119 52.273 5.116 -8.167 1.00 0.00 C ATOM 1102 O ARG A 119 52.092 6.162 -7.545 1.00 0.00 O ATOM 1103 CB ARG A 119 52.042 6.389 -10.312 1.00 0.00 C ATOM 1104 CG ARG A 119 52.314 6.473 -11.806 1.00 0.00 C ATOM 1105 CD ARG A 119 52.861 7.837 -12.198 1.00 0.00 C ATOM 1106 NE ARG A 119 52.443 8.231 -13.541 1.00 0.00 N ATOM 1107 CZ ARG A 119 53.105 7.908 -14.651 1.00 0.00 C ATOM 1108 NH1 ARG A 119 54.215 7.182 -14.585 1.00 0.00 N ATOM 1109 NH2 ARG A 119 52.656 8.312 -15.831 1.00 0.00 N ATOM 0 H ARG A 119 52.963 3.333 -10.644 1.00 0.00 H new ATOM 0 HA ARG A 119 53.725 5.185 -9.724 1.00 0.00 H new ATOM 0 HB2 ARG A 119 50.965 6.397 -10.146 1.00 0.00 H new ATOM 0 HB3 ARG A 119 52.446 7.278 -9.827 1.00 0.00 H new ATOM 0 HG2 ARG A 119 53.026 5.699 -12.091 1.00 0.00 H new ATOM 0 HG3 ARG A 119 51.393 6.277 -12.356 1.00 0.00 H new ATOM 0 HD2 ARG A 119 52.522 8.583 -11.480 1.00 0.00 H new ATOM 0 HD3 ARG A 119 53.950 7.818 -12.148 1.00 0.00 H new ATOM 0 HE ARG A 119 51.593 8.787 -13.635 1.00 0.00 H new ATOM 0 HH11 ARG A 119 54.566 6.868 -13.680 1.00 0.00 H new ATOM 0 HH12 ARG A 119 54.717 6.938 -15.439 1.00 0.00 H new ATOM 0 HH21 ARG A 119 51.804 8.870 -15.889 1.00 0.00 H new ATOM 0 HH22 ARG A 119 53.162 8.065 -16.681 1.00 0.00 H new ATOM 1123 N GLY A 120 52.174 3.915 -7.602 1.00 0.00 N ATOM 1124 CA GLY A 120 51.845 3.784 -6.193 1.00 0.00 C ATOM 1125 C GLY A 120 50.356 3.897 -5.914 1.00 0.00 C ATOM 1126 O GLY A 120 49.910 3.637 -4.797 1.00 0.00 O ATOM 0 H GLY A 120 52.315 3.033 -8.094 1.00 0.00 H new ATOM 0 HA2 GLY A 120 52.204 2.821 -5.831 1.00 0.00 H new ATOM 0 HA3 GLY A 120 52.373 4.553 -5.630 1.00 0.00 H new ATOM 1130 N ASP A 121 49.585 4.287 -6.923 1.00 0.00 N ATOM 1131 CA ASP A 121 48.145 4.431 -6.766 1.00 0.00 C ATOM 1132 C ASP A 121 47.470 3.066 -6.689 1.00 0.00 C ATOM 1133 O ASP A 121 47.240 2.419 -7.710 1.00 0.00 O ATOM 1134 CB ASP A 121 47.563 5.237 -7.928 1.00 0.00 C ATOM 1135 CG ASP A 121 48.207 6.603 -8.061 1.00 0.00 C ATOM 1136 OD1 ASP A 121 49.428 6.709 -7.819 1.00 0.00 O ATOM 1137 OD2 ASP A 121 47.491 7.567 -8.403 1.00 0.00 O ATOM 0 H ASP A 121 49.933 4.508 -7.856 1.00 0.00 H new ATOM 0 HA ASP A 121 47.956 4.964 -5.834 1.00 0.00 H new ATOM 0 HB2 ASP A 121 47.699 4.682 -8.856 1.00 0.00 H new ATOM 0 HB3 ASP A 121 46.489 5.357 -7.782 1.00 0.00 H new ATOM 1142 N LEU A 122 47.153 2.634 -5.471 1.00 0.00 N ATOM 1143 CA LEU A 122 46.501 1.347 -5.270 1.00 0.00 C ATOM 1144 C LEU A 122 45.037 1.403 -5.700 1.00 0.00 C ATOM 1145 O LEU A 122 44.361 0.376 -5.762 1.00 0.00 O ATOM 1146 CB LEU A 122 46.596 0.921 -3.802 1.00 0.00 C ATOM 1147 CG LEU A 122 47.961 1.139 -3.149 1.00 0.00 C ATOM 1148 CD1 LEU A 122 47.924 0.726 -1.685 1.00 0.00 C ATOM 1149 CD2 LEU A 122 49.039 0.366 -3.894 1.00 0.00 C ATOM 0 H LEU A 122 47.337 3.155 -4.613 1.00 0.00 H new ATOM 0 HA LEU A 122 47.016 0.611 -5.888 1.00 0.00 H new ATOM 0 HB2 LEU A 122 45.846 1.469 -3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 122 46.341 -0.136 -3.730 1.00 0.00 H new ATOM 0 HG LEU A 122 48.201 2.201 -3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 122 48.904 0.888 -1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 122 47.180 1.323 -1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 122 47.661 -0.329 -1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 122 50.004 0.533 -3.415 1.00 0.00 H new ATOM 0 HD22 LEU A 122 48.803 -0.698 -3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 122 49.083 0.708 -4.928 1.00 0.00 H new ATOM 1161 N GLY A 123 44.550 2.608 -5.992 1.00 0.00 N ATOM 1162 CA GLY A 123 43.171 2.766 -6.408 1.00 0.00 C ATOM 1163 C GLY A 123 42.197 2.278 -5.356 1.00 0.00 C ATOM 1164 O GLY A 123 42.601 1.904 -4.255 1.00 0.00 O ATOM 0 H GLY A 123 45.087 3.474 -5.947 1.00 0.00 H new ATOM 0 HA2 GLY A 123 42.976 3.817 -6.622 1.00 0.00 H new ATOM 0 HA3 GLY A 123 43.008 2.216 -7.335 1.00 0.00 H new ATOM 1168 N ALA A 124 40.914 2.280 -5.692 1.00 0.00 N ATOM 1169 CA ALA A 124 39.888 1.830 -4.763 1.00 0.00 C ATOM 1170 C ALA A 124 40.018 0.334 -4.491 1.00 0.00 C ATOM 1171 O ALA A 124 39.703 -0.490 -5.349 1.00 0.00 O ATOM 1172 CB ALA A 124 38.505 2.151 -5.308 1.00 0.00 C ATOM 0 H ALA A 124 40.560 2.587 -6.598 1.00 0.00 H new ATOM 0 HA ALA A 124 40.025 2.360 -3.820 1.00 0.00 H new ATOM 0 HB1 ALA A 124 37.748 1.809 -4.603 1.00 0.00 H new ATOM 0 HB2 ALA A 124 38.410 3.228 -5.448 1.00 0.00 H new ATOM 0 HB3 ALA A 124 38.365 1.647 -6.264 1.00 0.00 H new ATOM 1178 N PHE A 125 40.484 -0.011 -3.294 1.00 0.00 N ATOM 1179 CA PHE A 125 40.652 -1.411 -2.920 1.00 0.00 C ATOM 1180 C PHE A 125 39.813 -1.763 -1.704 1.00 0.00 C ATOM 1181 O PHE A 125 39.104 -0.922 -1.154 1.00 0.00 O ATOM 1182 CB PHE A 125 42.117 -1.735 -2.630 1.00 0.00 C ATOM 1183 CG PHE A 125 42.766 -0.802 -1.647 1.00 0.00 C ATOM 1184 CD1 PHE A 125 42.556 -0.960 -0.287 1.00 0.00 C ATOM 1185 CD2 PHE A 125 43.591 0.223 -2.079 1.00 0.00 C ATOM 1186 CE1 PHE A 125 43.154 -0.112 0.625 1.00 0.00 C ATOM 1187 CE2 PHE A 125 44.194 1.076 -1.171 1.00 0.00 C ATOM 1188 CZ PHE A 125 43.975 0.908 0.184 1.00 0.00 C ATOM 0 H PHE A 125 40.751 0.656 -2.570 1.00 0.00 H new ATOM 0 HA PHE A 125 40.316 -2.007 -3.768 1.00 0.00 H new ATOM 0 HB2 PHE A 125 42.184 -2.754 -2.248 1.00 0.00 H new ATOM 0 HB3 PHE A 125 42.677 -1.708 -3.565 1.00 0.00 H new ATOM 0 HD1 PHE A 125 41.917 -1.756 0.065 1.00 0.00 H new ATOM 0 HD2 PHE A 125 43.766 0.358 -3.136 1.00 0.00 H new ATOM 0 HE1 PHE A 125 42.980 -0.246 1.682 1.00 0.00 H new ATOM 0 HE2 PHE A 125 44.835 1.872 -1.520 1.00 0.00 H new ATOM 0 HZ PHE A 125 44.444 1.572 0.895 1.00 0.00 H new ATOM 1198 N SER A 126 39.907 -3.019 -1.295 1.00 0.00 N ATOM 1199 CA SER A 126 39.164 -3.511 -0.142 1.00 0.00 C ATOM 1200 C SER A 126 40.110 -3.938 0.975 1.00 0.00 C ATOM 1201 O SER A 126 41.245 -4.340 0.722 1.00 0.00 O ATOM 1202 CB SER A 126 38.271 -4.687 -0.550 1.00 0.00 C ATOM 1203 OG SER A 126 36.922 -4.455 -0.181 1.00 0.00 O ATOM 0 H SER A 126 40.494 -3.721 -1.747 1.00 0.00 H new ATOM 0 HA SER A 126 38.538 -2.699 0.229 1.00 0.00 H new ATOM 0 HB2 SER A 126 38.335 -4.840 -1.627 1.00 0.00 H new ATOM 0 HB3 SER A 126 38.629 -5.601 -0.076 1.00 0.00 H new ATOM 0 HG SER A 126 36.893 -3.861 0.598 1.00 0.00 H new ATOM 1209 N ARG A 127 39.635 -3.845 2.214 1.00 0.00 N ATOM 1210 CA ARG A 127 40.438 -4.218 3.374 1.00 0.00 C ATOM 1211 C ARG A 127 40.946 -5.654 3.257 1.00 0.00 C ATOM 1212 O ARG A 127 40.194 -6.562 2.902 1.00 0.00 O ATOM 1213 CB ARG A 127 39.624 -4.055 4.660 1.00 0.00 C ATOM 1214 CG ARG A 127 38.450 -5.014 4.766 1.00 0.00 C ATOM 1215 CD ARG A 127 37.836 -4.988 6.156 1.00 0.00 C ATOM 1216 NE ARG A 127 37.090 -6.209 6.448 1.00 0.00 N ATOM 1217 CZ ARG A 127 37.660 -7.370 6.766 1.00 0.00 C ATOM 1218 NH1 ARG A 127 38.983 -7.468 6.836 1.00 0.00 N ATOM 1219 NH2 ARG A 127 36.908 -8.433 7.015 1.00 0.00 N ATOM 0 H ARG A 127 38.697 -3.514 2.440 1.00 0.00 H new ATOM 0 HA ARG A 127 41.301 -3.553 3.410 1.00 0.00 H new ATOM 0 HB2 ARG A 127 40.281 -4.203 5.517 1.00 0.00 H new ATOM 0 HB3 ARG A 127 39.252 -3.032 4.717 1.00 0.00 H new ATOM 0 HG2 ARG A 127 37.694 -4.748 4.028 1.00 0.00 H new ATOM 0 HG3 ARG A 127 38.782 -6.025 4.532 1.00 0.00 H new ATOM 0 HD2 ARG A 127 38.624 -4.859 6.898 1.00 0.00 H new ATOM 0 HD3 ARG A 127 37.172 -4.128 6.243 1.00 0.00 H new ATOM 0 HE ARG A 127 36.072 -6.170 6.406 1.00 0.00 H new ATOM 0 HH11 ARG A 127 39.566 -6.653 6.646 1.00 0.00 H new ATOM 0 HH12 ARG A 127 39.416 -8.359 7.080 1.00 0.00 H new ATOM 0 HH21 ARG A 127 35.892 -8.362 6.963 1.00 0.00 H new ATOM 0 HH22 ARG A 127 37.346 -9.322 7.258 1.00 0.00 H new ATOM 1233 N GLY A 128 42.226 -5.851 3.561 1.00 0.00 N ATOM 1234 CA GLY A 128 42.810 -7.178 3.488 1.00 0.00 C ATOM 1235 C GLY A 128 43.709 -7.365 2.280 1.00 0.00 C ATOM 1236 O GLY A 128 44.167 -8.476 2.007 1.00 0.00 O ATOM 0 H GLY A 128 42.868 -5.116 3.856 1.00 0.00 H new ATOM 0 HA2 GLY A 128 43.385 -7.366 4.395 1.00 0.00 H new ATOM 0 HA3 GLY A 128 42.011 -7.919 3.458 1.00 0.00 H new ATOM 1240 N GLN A 129 43.959 -6.284 1.550 1.00 0.00 N ATOM 1241 CA GLN A 129 44.804 -6.342 0.363 1.00 0.00 C ATOM 1242 C GLN A 129 46.277 -6.163 0.724 1.00 0.00 C ATOM 1243 O GLN A 129 47.114 -7.003 0.394 1.00 0.00 O ATOM 1244 CB GLN A 129 44.378 -5.269 -0.643 1.00 0.00 C ATOM 1245 CG GLN A 129 44.119 -5.813 -2.039 1.00 0.00 C ATOM 1246 CD GLN A 129 45.346 -6.464 -2.646 1.00 0.00 C ATOM 1247 OE1 GLN A 129 46.422 -6.468 -2.049 1.00 0.00 O ATOM 1248 NE2 GLN A 129 45.190 -7.021 -3.843 1.00 0.00 N ATOM 0 H GLN A 129 43.589 -5.357 1.759 1.00 0.00 H new ATOM 0 HA GLN A 129 44.681 -7.326 -0.089 1.00 0.00 H new ATOM 0 HB2 GLN A 129 43.474 -4.780 -0.279 1.00 0.00 H new ATOM 0 HB3 GLN A 129 45.154 -4.505 -0.698 1.00 0.00 H new ATOM 0 HG2 GLN A 129 43.309 -6.541 -1.997 1.00 0.00 H new ATOM 0 HG3 GLN A 129 43.785 -5.001 -2.685 1.00 0.00 H new ATOM 0 HE21 GLN A 129 44.280 -6.995 -4.303 1.00 0.00 H new ATOM 0 HE22 GLN A 129 45.980 -7.474 -4.301 1.00 0.00 H new ATOM 1257 N MET A 130 46.588 -5.059 1.399 1.00 0.00 N ATOM 1258 CA MET A 130 47.961 -4.769 1.797 1.00 0.00 C ATOM 1259 C MET A 130 48.245 -5.279 3.208 1.00 0.00 C ATOM 1260 O MET A 130 47.372 -5.852 3.858 1.00 0.00 O ATOM 1261 CB MET A 130 48.226 -3.262 1.722 1.00 0.00 C ATOM 1262 CG MET A 130 49.368 -2.890 0.790 1.00 0.00 C ATOM 1263 SD MET A 130 48.793 -2.222 -0.783 1.00 0.00 S ATOM 1264 CE MET A 130 47.536 -3.419 -1.222 1.00 0.00 C ATOM 0 H MET A 130 45.908 -4.352 1.681 1.00 0.00 H new ATOM 0 HA MET A 130 48.628 -5.286 1.107 1.00 0.00 H new ATOM 0 HB2 MET A 130 47.318 -2.758 1.390 1.00 0.00 H new ATOM 0 HB3 MET A 130 48.449 -2.891 2.722 1.00 0.00 H new ATOM 0 HG2 MET A 130 50.007 -2.155 1.280 1.00 0.00 H new ATOM 0 HG3 MET A 130 49.981 -3.772 0.603 1.00 0.00 H new ATOM 0 HE1 MET A 130 47.314 -3.340 -2.286 1.00 0.00 H new ATOM 0 HE2 MET A 130 47.897 -4.423 -1.000 1.00 0.00 H new ATOM 0 HE3 MET A 130 46.631 -3.223 -0.647 1.00 0.00 H new ATOM 1274 N GLN A 131 49.475 -5.065 3.674 1.00 0.00 N ATOM 1275 CA GLN A 131 49.878 -5.500 5.007 1.00 0.00 C ATOM 1276 C GLN A 131 48.878 -5.032 6.061 1.00 0.00 C ATOM 1277 O GLN A 131 48.116 -4.094 5.831 1.00 0.00 O ATOM 1278 CB GLN A 131 51.276 -4.971 5.341 1.00 0.00 C ATOM 1279 CG GLN A 131 52.281 -5.154 4.214 1.00 0.00 C ATOM 1280 CD GLN A 131 52.561 -3.865 3.467 1.00 0.00 C ATOM 1281 OE1 GLN A 131 51.796 -3.462 2.591 1.00 0.00 O ATOM 1282 NE2 GLN A 131 53.665 -3.210 3.811 1.00 0.00 N ATOM 0 H GLN A 131 50.209 -4.592 3.146 1.00 0.00 H new ATOM 0 HA GLN A 131 49.899 -6.590 5.013 1.00 0.00 H new ATOM 0 HB2 GLN A 131 51.206 -3.911 5.585 1.00 0.00 H new ATOM 0 HB3 GLN A 131 51.645 -5.480 6.232 1.00 0.00 H new ATOM 0 HG2 GLN A 131 53.214 -5.542 4.623 1.00 0.00 H new ATOM 0 HG3 GLN A 131 51.905 -5.901 3.514 1.00 0.00 H new ATOM 0 HE21 GLN A 131 54.271 -3.581 4.543 1.00 0.00 H new ATOM 0 HE22 GLN A 131 53.907 -2.337 3.343 1.00 0.00 H new ATOM 1291 N LYS A 132 48.883 -5.692 7.214 1.00 0.00 N ATOM 1292 CA LYS A 132 47.974 -5.341 8.300 1.00 0.00 C ATOM 1293 C LYS A 132 48.119 -3.870 8.686 1.00 0.00 C ATOM 1294 O LYS A 132 47.173 -3.093 8.558 1.00 0.00 O ATOM 1295 CB LYS A 132 48.224 -6.235 9.516 1.00 0.00 C ATOM 1296 CG LYS A 132 47.069 -7.175 9.827 1.00 0.00 C ATOM 1297 CD LYS A 132 47.557 -8.583 10.133 1.00 0.00 C ATOM 1298 CE LYS A 132 46.709 -9.632 9.431 1.00 0.00 C ATOM 1299 NZ LYS A 132 45.489 -9.980 10.211 1.00 0.00 N ATOM 0 H LYS A 132 49.506 -6.473 7.421 1.00 0.00 H new ATOM 0 HA LYS A 132 46.954 -5.501 7.949 1.00 0.00 H new ATOM 0 HB2 LYS A 132 49.125 -6.824 9.345 1.00 0.00 H new ATOM 0 HB3 LYS A 132 48.415 -5.606 10.386 1.00 0.00 H new ATOM 0 HG2 LYS A 132 46.507 -6.792 10.678 1.00 0.00 H new ATOM 0 HG3 LYS A 132 46.384 -7.203 8.979 1.00 0.00 H new ATOM 0 HD2 LYS A 132 48.596 -8.685 9.820 1.00 0.00 H new ATOM 0 HD3 LYS A 132 47.530 -8.753 11.209 1.00 0.00 H new ATOM 0 HE2 LYS A 132 46.417 -9.263 8.448 1.00 0.00 H new ATOM 0 HE3 LYS A 132 47.305 -10.531 9.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 44.941 -10.698 9.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 45.767 -10.357 11.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 44.907 -9.128 10.343 1.00 0.00 H new ATOM 1313 N PRO A 133 49.310 -3.461 9.160 1.00 0.00 N ATOM 1314 CA PRO A 133 49.563 -2.074 9.555 1.00 0.00 C ATOM 1315 C PRO A 133 49.171 -1.092 8.456 1.00 0.00 C ATOM 1316 O PRO A 133 48.792 0.046 8.730 1.00 0.00 O ATOM 1317 CB PRO A 133 51.079 -2.026 9.808 1.00 0.00 C ATOM 1318 CG PRO A 133 51.620 -3.309 9.266 1.00 0.00 C ATOM 1319 CD PRO A 133 50.500 -4.304 9.342 1.00 0.00 C ATOM 0 HA PRO A 133 48.976 -1.787 10.427 1.00 0.00 H new ATOM 0 HB2 PRO A 133 51.532 -1.169 9.310 1.00 0.00 H new ATOM 0 HB3 PRO A 133 51.296 -1.928 10.872 1.00 0.00 H new ATOM 0 HG2 PRO A 133 51.960 -3.184 8.238 1.00 0.00 H new ATOM 0 HG3 PRO A 133 52.479 -3.645 9.847 1.00 0.00 H new ATOM 0 HD2 PRO A 133 50.580 -5.065 8.566 1.00 0.00 H new ATOM 0 HD3 PRO A 133 50.485 -4.825 10.299 1.00 0.00 H new ATOM 1327 N PHE A 134 49.255 -1.550 7.212 1.00 0.00 N ATOM 1328 CA PHE A 134 48.900 -0.724 6.065 1.00 0.00 C ATOM 1329 C PHE A 134 47.420 -0.383 6.093 1.00 0.00 C ATOM 1330 O PHE A 134 47.034 0.777 6.227 1.00 0.00 O ATOM 1331 CB PHE A 134 49.213 -1.463 4.767 1.00 0.00 C ATOM 1332 CG PHE A 134 49.129 -0.595 3.545 1.00 0.00 C ATOM 1333 CD1 PHE A 134 47.927 -0.441 2.873 1.00 0.00 C ATOM 1334 CD2 PHE A 134 50.249 0.067 3.069 1.00 0.00 C ATOM 1335 CE1 PHE A 134 47.842 0.360 1.751 1.00 0.00 C ATOM 1336 CE2 PHE A 134 50.171 0.868 1.946 1.00 0.00 C ATOM 1337 CZ PHE A 134 48.964 1.015 1.287 1.00 0.00 C ATOM 0 H PHE A 134 49.567 -2.491 6.972 1.00 0.00 H new ATOM 0 HA PHE A 134 49.484 0.195 6.115 1.00 0.00 H new ATOM 0 HB2 PHE A 134 50.215 -1.887 4.833 1.00 0.00 H new ATOM 0 HB3 PHE A 134 48.520 -2.297 4.658 1.00 0.00 H new ATOM 0 HD1 PHE A 134 47.046 -0.953 3.231 1.00 0.00 H new ATOM 0 HD2 PHE A 134 51.193 -0.044 3.581 1.00 0.00 H new ATOM 0 HE1 PHE A 134 46.899 0.473 1.238 1.00 0.00 H new ATOM 0 HE2 PHE A 134 51.051 1.378 1.583 1.00 0.00 H new ATOM 0 HZ PHE A 134 48.900 1.642 0.410 1.00 0.00 H new ATOM 1347 N GLU A 135 46.602 -1.416 5.954 1.00 0.00 N ATOM 1348 CA GLU A 135 45.150 -1.259 5.948 1.00 0.00 C ATOM 1349 C GLU A 135 44.680 -0.362 7.089 1.00 0.00 C ATOM 1350 O GLU A 135 43.841 0.517 6.888 1.00 0.00 O ATOM 1351 CB GLU A 135 44.469 -2.626 6.044 1.00 0.00 C ATOM 1352 CG GLU A 135 43.131 -2.692 5.327 1.00 0.00 C ATOM 1353 CD GLU A 135 43.205 -2.174 3.906 1.00 0.00 C ATOM 1354 OE1 GLU A 135 43.063 -0.948 3.713 1.00 0.00 O ATOM 1355 OE2 GLU A 135 43.407 -2.993 2.983 1.00 0.00 O ATOM 0 H GLU A 135 46.919 -2.379 5.843 1.00 0.00 H new ATOM 0 HA GLU A 135 44.872 -0.783 5.008 1.00 0.00 H new ATOM 0 HB2 GLU A 135 45.133 -3.383 5.627 1.00 0.00 H new ATOM 0 HB3 GLU A 135 44.321 -2.876 7.095 1.00 0.00 H new ATOM 0 HG2 GLU A 135 42.780 -3.724 5.316 1.00 0.00 H new ATOM 0 HG3 GLU A 135 42.396 -2.111 5.884 1.00 0.00 H new ATOM 1362 N ASP A 136 45.222 -0.580 8.281 1.00 0.00 N ATOM 1363 CA ASP A 136 44.846 0.219 9.443 1.00 0.00 C ATOM 1364 C ASP A 136 45.019 1.705 9.147 1.00 0.00 C ATOM 1365 O ASP A 136 44.064 2.476 9.222 1.00 0.00 O ATOM 1366 CB ASP A 136 45.688 -0.177 10.657 1.00 0.00 C ATOM 1367 CG ASP A 136 45.063 0.268 11.965 1.00 0.00 C ATOM 1368 OD1 ASP A 136 44.611 1.430 12.043 1.00 0.00 O ATOM 1369 OD2 ASP A 136 45.023 -0.546 12.911 1.00 0.00 O ATOM 0 H ASP A 136 45.920 -1.300 8.469 1.00 0.00 H new ATOM 0 HA ASP A 136 43.797 0.028 9.667 1.00 0.00 H new ATOM 0 HB2 ASP A 136 45.817 -1.259 10.669 1.00 0.00 H new ATOM 0 HB3 ASP A 136 46.682 0.261 10.565 1.00 0.00 H new ATOM 1374 N ALA A 137 46.240 2.100 8.797 1.00 0.00 N ATOM 1375 CA ALA A 137 46.529 3.494 8.477 1.00 0.00 C ATOM 1376 C ALA A 137 45.585 4.005 7.393 1.00 0.00 C ATOM 1377 O ALA A 137 44.949 5.047 7.548 1.00 0.00 O ATOM 1378 CB ALA A 137 47.977 3.647 8.039 1.00 0.00 C ATOM 0 H ALA A 137 47.044 1.476 8.728 1.00 0.00 H new ATOM 0 HA ALA A 137 46.373 4.093 9.374 1.00 0.00 H new ATOM 0 HB1 ALA A 137 48.177 4.692 7.804 1.00 0.00 H new ATOM 0 HB2 ALA A 137 48.637 3.323 8.844 1.00 0.00 H new ATOM 0 HB3 ALA A 137 48.156 3.035 7.155 1.00 0.00 H new ATOM 1384 N SER A 138 45.493 3.255 6.299 1.00 0.00 N ATOM 1385 CA SER A 138 44.621 3.616 5.185 1.00 0.00 C ATOM 1386 C SER A 138 43.191 3.815 5.666 1.00 0.00 C ATOM 1387 O SER A 138 42.627 4.905 5.574 1.00 0.00 O ATOM 1388 CB SER A 138 44.645 2.514 4.125 1.00 0.00 C ATOM 1389 OG SER A 138 43.951 1.361 4.564 1.00 0.00 O ATOM 0 H SER A 138 46.014 2.389 6.160 1.00 0.00 H new ATOM 0 HA SER A 138 44.985 4.549 4.755 1.00 0.00 H new ATOM 0 HB2 SER A 138 44.194 2.883 3.204 1.00 0.00 H new ATOM 0 HB3 SER A 138 45.677 2.253 3.893 1.00 0.00 H new ATOM 0 HG SER A 138 43.857 0.732 3.818 1.00 0.00 H new ATOM 1395 N PHE A 139 42.617 2.732 6.165 1.00 0.00 N ATOM 1396 CA PHE A 139 41.244 2.733 6.659 1.00 0.00 C ATOM 1397 C PHE A 139 41.066 3.633 7.884 1.00 0.00 C ATOM 1398 O PHE A 139 39.939 3.899 8.302 1.00 0.00 O ATOM 1399 CB PHE A 139 40.821 1.303 6.996 1.00 0.00 C ATOM 1400 CG PHE A 139 40.205 0.577 5.834 1.00 0.00 C ATOM 1401 CD1 PHE A 139 40.895 0.439 4.641 1.00 0.00 C ATOM 1402 CD2 PHE A 139 38.936 0.032 5.935 1.00 0.00 C ATOM 1403 CE1 PHE A 139 40.332 -0.230 3.570 1.00 0.00 C ATOM 1404 CE2 PHE A 139 38.367 -0.638 4.869 1.00 0.00 C ATOM 1405 CZ PHE A 139 39.066 -0.771 3.685 1.00 0.00 C ATOM 0 H PHE A 139 43.085 1.829 6.240 1.00 0.00 H new ATOM 0 HA PHE A 139 40.610 3.136 5.869 1.00 0.00 H new ATOM 0 HB2 PHE A 139 41.691 0.746 7.343 1.00 0.00 H new ATOM 0 HB3 PHE A 139 40.108 1.327 7.820 1.00 0.00 H new ATOM 0 HD1 PHE A 139 41.885 0.859 4.546 1.00 0.00 H new ATOM 0 HD2 PHE A 139 38.384 0.132 6.858 1.00 0.00 H new ATOM 0 HE1 PHE A 139 40.881 -0.329 2.645 1.00 0.00 H new ATOM 0 HE2 PHE A 139 37.376 -1.058 4.961 1.00 0.00 H new ATOM 0 HZ PHE A 139 38.624 -1.297 2.851 1.00 0.00 H new ATOM 1415 N ALA A 140 42.172 4.102 8.461 1.00 0.00 N ATOM 1416 CA ALA A 140 42.105 4.967 9.635 1.00 0.00 C ATOM 1417 C ALA A 140 42.414 6.422 9.285 1.00 0.00 C ATOM 1418 O ALA A 140 42.094 7.333 10.048 1.00 0.00 O ATOM 1419 CB ALA A 140 43.062 4.474 10.709 1.00 0.00 C ATOM 0 H ALA A 140 43.117 3.899 8.137 1.00 0.00 H new ATOM 0 HA ALA A 140 41.084 4.926 10.015 1.00 0.00 H new ATOM 0 HB1 ALA A 140 43.001 5.128 11.579 1.00 0.00 H new ATOM 0 HB2 ALA A 140 42.791 3.459 10.999 1.00 0.00 H new ATOM 0 HB3 ALA A 140 44.080 4.481 10.320 1.00 0.00 H new ATOM 1425 N LEU A 141 43.041 6.636 8.132 1.00 0.00 N ATOM 1426 CA LEU A 141 43.397 7.981 7.696 1.00 0.00 C ATOM 1427 C LEU A 141 42.182 8.725 7.151 1.00 0.00 C ATOM 1428 O LEU A 141 41.163 8.119 6.823 1.00 0.00 O ATOM 1429 CB LEU A 141 44.489 7.919 6.628 1.00 0.00 C ATOM 1430 CG LEU A 141 45.886 7.591 7.155 1.00 0.00 C ATOM 1431 CD1 LEU A 141 46.635 6.710 6.165 1.00 0.00 C ATOM 1432 CD2 LEU A 141 46.665 8.869 7.429 1.00 0.00 C ATOM 0 H LEU A 141 43.312 5.896 7.484 1.00 0.00 H new ATOM 0 HA LEU A 141 43.771 8.525 8.563 1.00 0.00 H new ATOM 0 HB2 LEU A 141 44.211 7.169 5.887 1.00 0.00 H new ATOM 0 HB3 LEU A 141 44.527 8.878 6.112 1.00 0.00 H new ATOM 0 HG LEU A 141 45.782 7.044 8.092 1.00 0.00 H new ATOM 0 HD11 LEU A 141 47.628 6.486 6.556 1.00 0.00 H new ATOM 0 HD12 LEU A 141 46.085 5.781 6.017 1.00 0.00 H new ATOM 0 HD13 LEU A 141 46.729 7.232 5.213 1.00 0.00 H new ATOM 0 HD21 LEU A 141 47.657 8.617 7.804 1.00 0.00 H new ATOM 0 HD22 LEU A 141 46.760 9.442 6.507 1.00 0.00 H new ATOM 0 HD23 LEU A 141 46.137 9.465 8.173 1.00 0.00 H new ATOM 1444 N ARG A 142 42.300 10.048 7.057 1.00 0.00 N ATOM 1445 CA ARG A 142 41.217 10.881 6.549 1.00 0.00 C ATOM 1446 C ARG A 142 41.446 11.230 5.082 1.00 0.00 C ATOM 1447 O ARG A 142 42.512 10.960 4.529 1.00 0.00 O ATOM 1448 CB ARG A 142 41.095 12.166 7.372 1.00 0.00 C ATOM 1449 CG ARG A 142 41.242 11.958 8.872 1.00 0.00 C ATOM 1450 CD ARG A 142 41.848 13.179 9.545 1.00 0.00 C ATOM 1451 NE ARG A 142 41.740 13.118 11.001 1.00 0.00 N ATOM 1452 CZ ARG A 142 40.624 13.392 11.673 1.00 0.00 C ATOM 1453 NH1 ARG A 142 39.517 13.734 11.025 1.00 0.00 N ATOM 1454 NH2 ARG A 142 40.613 13.322 12.998 1.00 0.00 N ATOM 0 H ARG A 142 43.137 10.565 7.327 1.00 0.00 H new ATOM 0 HA ARG A 142 40.290 10.315 6.635 1.00 0.00 H new ATOM 0 HB2 ARG A 142 41.855 12.873 7.038 1.00 0.00 H new ATOM 0 HB3 ARG A 142 40.125 12.622 7.172 1.00 0.00 H new ATOM 0 HG2 ARG A 142 40.266 11.747 9.309 1.00 0.00 H new ATOM 0 HG3 ARG A 142 41.870 11.088 9.060 1.00 0.00 H new ATOM 0 HD2 ARG A 142 42.898 13.263 9.264 1.00 0.00 H new ATOM 0 HD3 ARG A 142 41.348 14.077 9.183 1.00 0.00 H new ATOM 0 HE ARG A 142 42.568 12.850 11.533 1.00 0.00 H new ATOM 0 HH11 ARG A 142 39.518 13.788 10.006 1.00 0.00 H new ATOM 0 HH12 ARG A 142 38.665 13.943 11.546 1.00 0.00 H new ATOM 0 HH21 ARG A 142 41.460 13.058 13.502 1.00 0.00 H new ATOM 0 HH22 ARG A 142 39.758 13.532 13.513 1.00 0.00 H new ATOM 1468 N THR A 143 40.441 11.832 4.457 1.00 0.00 N ATOM 1469 CA THR A 143 40.536 12.220 3.054 1.00 0.00 C ATOM 1470 C THR A 143 41.671 13.217 2.838 1.00 0.00 C ATOM 1471 O THR A 143 41.747 14.242 3.515 1.00 0.00 O ATOM 1472 CB THR A 143 39.213 12.825 2.580 1.00 0.00 C ATOM 1473 OG1 THR A 143 38.146 11.915 2.782 1.00 0.00 O ATOM 1474 CG2 THR A 143 39.221 13.204 1.114 1.00 0.00 C ATOM 0 H THR A 143 39.551 12.062 4.899 1.00 0.00 H new ATOM 0 HA THR A 143 40.749 11.325 2.470 1.00 0.00 H new ATOM 0 HB THR A 143 39.079 13.730 3.173 1.00 0.00 H new ATOM 0 HG1 THR A 143 37.308 12.320 2.475 1.00 0.00 H new ATOM 0 HG21 THR A 143 38.254 13.627 0.842 1.00 0.00 H new ATOM 0 HG22 THR A 143 40.003 13.941 0.933 1.00 0.00 H new ATOM 0 HG23 THR A 143 39.412 12.317 0.510 1.00 0.00 H new ATOM 1482 N GLY A 144 42.550 12.911 1.890 1.00 0.00 N ATOM 1483 CA GLY A 144 43.665 13.793 1.600 1.00 0.00 C ATOM 1484 C GLY A 144 44.706 13.808 2.704 1.00 0.00 C ATOM 1485 O GLY A 144 45.483 14.755 2.818 1.00 0.00 O ATOM 0 H GLY A 144 42.510 12.068 1.317 1.00 0.00 H new ATOM 0 HA2 GLY A 144 44.136 13.482 0.667 1.00 0.00 H new ATOM 0 HA3 GLY A 144 43.291 14.805 1.446 1.00 0.00 H new ATOM 1489 N GLU A 145 44.724 12.756 3.519 1.00 0.00 N ATOM 1490 CA GLU A 145 45.684 12.659 4.615 1.00 0.00 C ATOM 1491 C GLU A 145 46.759 11.627 4.298 1.00 0.00 C ATOM 1492 O GLU A 145 46.508 10.653 3.593 1.00 0.00 O ATOM 1493 CB GLU A 145 44.973 12.293 5.918 1.00 0.00 C ATOM 1494 CG GLU A 145 44.179 13.439 6.521 1.00 0.00 C ATOM 1495 CD GLU A 145 45.011 14.693 6.703 1.00 0.00 C ATOM 1496 OE1 GLU A 145 46.249 14.572 6.815 1.00 0.00 O ATOM 1497 OE2 GLU A 145 44.425 15.795 6.735 1.00 0.00 O ATOM 0 H GLU A 145 44.088 11.962 3.442 1.00 0.00 H new ATOM 0 HA GLU A 145 46.161 13.632 4.737 1.00 0.00 H new ATOM 0 HB2 GLU A 145 44.301 11.455 5.732 1.00 0.00 H new ATOM 0 HB3 GLU A 145 45.713 11.954 6.643 1.00 0.00 H new ATOM 0 HG2 GLU A 145 43.327 13.663 5.879 1.00 0.00 H new ATOM 0 HG3 GLU A 145 43.778 13.130 7.486 1.00 0.00 H new ATOM 1504 N MET A 146 47.959 11.851 4.825 1.00 0.00 N ATOM 1505 CA MET A 146 49.075 10.941 4.595 1.00 0.00 C ATOM 1506 C MET A 146 49.481 10.233 5.883 1.00 0.00 C ATOM 1507 O MET A 146 49.440 10.817 6.965 1.00 0.00 O ATOM 1508 CB MET A 146 50.271 11.701 4.020 1.00 0.00 C ATOM 1509 CG MET A 146 51.007 10.943 2.929 1.00 0.00 C ATOM 1510 SD MET A 146 52.023 12.019 1.900 1.00 0.00 S ATOM 1511 CE MET A 146 50.760 12.944 1.032 1.00 0.00 C ATOM 0 H MET A 146 48.183 12.654 5.413 1.00 0.00 H new ATOM 0 HA MET A 146 48.750 10.188 3.877 1.00 0.00 H new ATOM 0 HB2 MET A 146 49.926 12.654 3.619 1.00 0.00 H new ATOM 0 HB3 MET A 146 50.968 11.928 4.827 1.00 0.00 H new ATOM 0 HG2 MET A 146 51.639 10.180 3.385 1.00 0.00 H new ATOM 0 HG3 MET A 146 50.283 10.424 2.301 1.00 0.00 H new ATOM 0 HE1 MET A 146 51.143 13.932 0.778 1.00 0.00 H new ATOM 0 HE2 MET A 146 50.485 12.416 0.119 1.00 0.00 H new ATOM 0 HE3 MET A 146 49.882 13.048 1.670 1.00 0.00 H new ATOM 1521 N SER A 147 49.874 8.971 5.754 1.00 0.00 N ATOM 1522 CA SER A 147 50.293 8.177 6.902 1.00 0.00 C ATOM 1523 C SER A 147 51.794 8.313 7.139 1.00 0.00 C ATOM 1524 O SER A 147 52.583 8.288 6.195 1.00 0.00 O ATOM 1525 CB SER A 147 49.922 6.707 6.693 1.00 0.00 C ATOM 1526 OG SER A 147 51.006 5.972 6.149 1.00 0.00 O ATOM 0 H SER A 147 49.911 8.475 4.863 1.00 0.00 H new ATOM 0 HA SER A 147 49.773 8.551 7.784 1.00 0.00 H new ATOM 0 HB2 SER A 147 49.623 6.267 7.644 1.00 0.00 H new ATOM 0 HB3 SER A 147 49.063 6.638 6.026 1.00 0.00 H new ATOM 0 HG SER A 147 51.254 5.251 6.765 1.00 0.00 H new ATOM 1532 N GLY A 148 52.183 8.452 8.402 1.00 0.00 N ATOM 1533 CA GLY A 148 53.589 8.583 8.732 1.00 0.00 C ATOM 1534 C GLY A 148 54.404 7.395 8.257 1.00 0.00 C ATOM 1535 O GLY A 148 53.840 6.401 7.797 1.00 0.00 O ATOM 0 H GLY A 148 51.550 8.476 9.202 1.00 0.00 H new ATOM 0 HA2 GLY A 148 53.982 9.494 8.282 1.00 0.00 H new ATOM 0 HA3 GLY A 148 53.699 8.688 9.811 1.00 0.00 H new ATOM 1539 N PRO A 149 55.742 7.463 8.354 1.00 0.00 N ATOM 1540 CA PRO A 149 56.619 6.371 7.924 1.00 0.00 C ATOM 1541 C PRO A 149 56.211 5.032 8.529 1.00 0.00 C ATOM 1542 O PRO A 149 56.206 4.864 9.748 1.00 0.00 O ATOM 1543 CB PRO A 149 57.997 6.794 8.437 1.00 0.00 C ATOM 1544 CG PRO A 149 57.927 8.279 8.535 1.00 0.00 C ATOM 1545 CD PRO A 149 56.503 8.608 8.890 1.00 0.00 C ATOM 0 HA PRO A 149 56.583 6.220 6.845 1.00 0.00 H new ATOM 0 HB2 PRO A 149 58.214 6.343 9.405 1.00 0.00 H new ATOM 0 HB3 PRO A 149 58.787 6.479 7.755 1.00 0.00 H new ATOM 0 HG2 PRO A 149 58.614 8.652 9.295 1.00 0.00 H new ATOM 0 HG3 PRO A 149 58.211 8.745 7.592 1.00 0.00 H new ATOM 0 HD2 PRO A 149 56.371 8.709 9.967 1.00 0.00 H new ATOM 0 HD3 PRO A 149 56.184 9.548 8.440 1.00 0.00 H new ATOM 1553 N VAL A 150 55.865 4.082 7.667 1.00 0.00 N ATOM 1554 CA VAL A 150 55.450 2.758 8.112 1.00 0.00 C ATOM 1555 C VAL A 150 56.533 1.724 7.830 1.00 0.00 C ATOM 1556 O VAL A 150 56.819 1.405 6.676 1.00 0.00 O ATOM 1557 CB VAL A 150 54.144 2.321 7.425 1.00 0.00 C ATOM 1558 CG1 VAL A 150 53.614 1.039 8.050 1.00 0.00 C ATOM 1559 CG2 VAL A 150 53.105 3.429 7.498 1.00 0.00 C ATOM 0 H VAL A 150 55.864 4.205 6.654 1.00 0.00 H new ATOM 0 HA VAL A 150 55.281 2.820 9.187 1.00 0.00 H new ATOM 0 HB VAL A 150 54.356 2.124 6.374 1.00 0.00 H new ATOM 0 HG11 VAL A 150 52.690 0.746 7.551 1.00 0.00 H new ATOM 0 HG12 VAL A 150 54.354 0.247 7.938 1.00 0.00 H new ATOM 0 HG13 VAL A 150 53.417 1.205 9.109 1.00 0.00 H new ATOM 0 HG21 VAL A 150 52.189 3.101 7.007 1.00 0.00 H new ATOM 0 HG22 VAL A 150 52.894 3.662 8.542 1.00 0.00 H new ATOM 0 HG23 VAL A 150 53.486 4.319 6.998 1.00 0.00 H new ATOM 1569 N PHE A 151 57.136 1.205 8.893 1.00 0.00 N ATOM 1570 CA PHE A 151 58.192 0.210 8.763 1.00 0.00 C ATOM 1571 C PHE A 151 57.615 -1.197 8.657 1.00 0.00 C ATOM 1572 O PHE A 151 57.013 -1.707 9.603 1.00 0.00 O ATOM 1573 CB PHE A 151 59.148 0.298 9.953 1.00 0.00 C ATOM 1574 CG PHE A 151 59.811 1.638 10.086 1.00 0.00 C ATOM 1575 CD1 PHE A 151 59.118 2.722 10.602 1.00 0.00 C ATOM 1576 CD2 PHE A 151 61.126 1.815 9.691 1.00 0.00 C ATOM 1577 CE1 PHE A 151 59.727 3.957 10.724 1.00 0.00 C ATOM 1578 CE2 PHE A 151 61.741 3.047 9.809 1.00 0.00 C ATOM 1579 CZ PHE A 151 61.040 4.120 10.327 1.00 0.00 C ATOM 0 H PHE A 151 56.911 1.457 9.855 1.00 0.00 H new ATOM 0 HA PHE A 151 58.742 0.420 7.845 1.00 0.00 H new ATOM 0 HB2 PHE A 151 58.598 0.080 10.869 1.00 0.00 H new ATOM 0 HB3 PHE A 151 59.915 -0.470 9.852 1.00 0.00 H new ATOM 0 HD1 PHE A 151 58.091 2.600 10.912 1.00 0.00 H new ATOM 0 HD2 PHE A 151 61.678 0.980 9.286 1.00 0.00 H new ATOM 0 HE1 PHE A 151 59.177 4.793 11.129 1.00 0.00 H new ATOM 0 HE2 PHE A 151 62.767 3.171 9.497 1.00 0.00 H new ATOM 0 HZ PHE A 151 61.518 5.084 10.421 1.00 0.00 H new ATOM 1589 N THR A 152 57.806 -1.820 7.500 1.00 0.00 N ATOM 1590 CA THR A 152 57.310 -3.173 7.264 1.00 0.00 C ATOM 1591 C THR A 152 58.418 -4.051 6.695 1.00 0.00 C ATOM 1592 O THR A 152 59.511 -3.567 6.393 1.00 0.00 O ATOM 1593 CB THR A 152 56.115 -3.144 6.308 1.00 0.00 C ATOM 1594 OG1 THR A 152 56.546 -3.005 4.966 1.00 0.00 O ATOM 1595 CG2 THR A 152 55.143 -2.020 6.598 1.00 0.00 C ATOM 0 H THR A 152 58.302 -1.410 6.708 1.00 0.00 H new ATOM 0 HA THR A 152 56.985 -3.593 8.216 1.00 0.00 H new ATOM 0 HB THR A 152 55.603 -4.094 6.460 1.00 0.00 H new ATOM 0 HG1 THR A 152 57.253 -2.328 4.918 1.00 0.00 H new ATOM 0 HG21 THR A 152 54.320 -2.057 5.884 1.00 0.00 H new ATOM 0 HG22 THR A 152 54.751 -2.130 7.609 1.00 0.00 H new ATOM 0 HG23 THR A 152 55.657 -1.063 6.510 1.00 0.00 H new ATOM 1603 N ASP A 153 58.135 -5.344 6.553 1.00 0.00 N ATOM 1604 CA ASP A 153 59.113 -6.295 6.024 1.00 0.00 C ATOM 1605 C ASP A 153 59.845 -5.728 4.809 1.00 0.00 C ATOM 1606 O ASP A 153 61.074 -5.659 4.788 1.00 0.00 O ATOM 1607 CB ASP A 153 58.422 -7.609 5.651 1.00 0.00 C ATOM 1608 CG ASP A 153 58.539 -8.655 6.742 1.00 0.00 C ATOM 1609 OD1 ASP A 153 58.990 -8.308 7.854 1.00 0.00 O ATOM 1610 OD2 ASP A 153 58.179 -9.822 6.485 1.00 0.00 O ATOM 0 H ASP A 153 57.236 -5.759 6.797 1.00 0.00 H new ATOM 0 HA ASP A 153 59.851 -6.482 6.804 1.00 0.00 H new ATOM 0 HB2 ASP A 153 57.369 -7.417 5.447 1.00 0.00 H new ATOM 0 HB3 ASP A 153 58.859 -7.997 4.731 1.00 0.00 H new ATOM 1615 N SER A 154 59.081 -5.321 3.801 1.00 0.00 N ATOM 1616 CA SER A 154 59.657 -4.760 2.584 1.00 0.00 C ATOM 1617 C SER A 154 60.496 -3.525 2.894 1.00 0.00 C ATOM 1618 O SER A 154 61.572 -3.335 2.327 1.00 0.00 O ATOM 1619 CB SER A 154 58.550 -4.401 1.589 1.00 0.00 C ATOM 1620 OG SER A 154 58.361 -5.437 0.641 1.00 0.00 O ATOM 0 H SER A 154 58.062 -5.369 3.802 1.00 0.00 H new ATOM 0 HA SER A 154 60.306 -5.515 2.140 1.00 0.00 H new ATOM 0 HB2 SER A 154 57.619 -4.221 2.126 1.00 0.00 H new ATOM 0 HB3 SER A 154 58.806 -3.475 1.074 1.00 0.00 H new ATOM 0 HG SER A 154 58.894 -6.218 0.899 1.00 0.00 H new ATOM 1626 N GLY A 155 59.998 -2.687 3.797 1.00 0.00 N ATOM 1627 CA GLY A 155 60.715 -1.479 4.165 1.00 0.00 C ATOM 1628 C GLY A 155 59.794 -0.396 4.693 1.00 0.00 C ATOM 1629 O GLY A 155 58.778 -0.689 5.321 1.00 0.00 O ATOM 0 H GLY A 155 59.110 -2.822 4.281 1.00 0.00 H new ATOM 0 HA2 GLY A 155 61.460 -1.719 4.923 1.00 0.00 H new ATOM 0 HA3 GLY A 155 61.254 -1.101 3.296 1.00 0.00 H new ATOM 1633 N ILE A 156 60.148 0.860 4.434 1.00 0.00 N ATOM 1634 CA ILE A 156 59.341 1.989 4.882 1.00 0.00 C ATOM 1635 C ILE A 156 58.263 2.316 3.857 1.00 0.00 C ATOM 1636 O ILE A 156 58.547 2.441 2.667 1.00 0.00 O ATOM 1637 CB ILE A 156 60.204 3.243 5.123 1.00 0.00 C ATOM 1638 CG1 ILE A 156 61.454 2.882 5.927 1.00 0.00 C ATOM 1639 CG2 ILE A 156 59.395 4.315 5.839 1.00 0.00 C ATOM 1640 CD1 ILE A 156 62.362 4.065 6.195 1.00 0.00 C ATOM 0 H ILE A 156 60.988 1.120 3.917 1.00 0.00 H new ATOM 0 HA ILE A 156 58.877 1.698 5.825 1.00 0.00 H new ATOM 0 HB ILE A 156 60.519 3.640 4.158 1.00 0.00 H new ATOM 0 HG12 ILE A 156 61.151 2.444 6.878 1.00 0.00 H new ATOM 0 HG13 ILE A 156 62.015 2.118 5.388 1.00 0.00 H new ATOM 0 HG21 ILE A 156 60.019 5.194 6.002 1.00 0.00 H new ATOM 0 HG22 ILE A 156 58.534 4.589 5.229 1.00 0.00 H new ATOM 0 HG23 ILE A 156 59.052 3.931 6.800 1.00 0.00 H new ATOM 0 HD11 ILE A 156 63.228 3.736 6.769 1.00 0.00 H new ATOM 0 HD12 ILE A 156 62.695 4.490 5.248 1.00 0.00 H new ATOM 0 HD13 ILE A 156 61.817 4.821 6.761 1.00 0.00 H new ATOM 1652 N HIS A 157 57.023 2.445 4.319 1.00 0.00 N ATOM 1653 CA HIS A 157 55.912 2.744 3.423 1.00 0.00 C ATOM 1654 C HIS A 157 55.149 3.993 3.843 1.00 0.00 C ATOM 1655 O HIS A 157 54.958 4.258 5.030 1.00 0.00 O ATOM 1656 CB HIS A 157 54.919 1.589 3.376 1.00 0.00 C ATOM 1657 CG HIS A 157 55.426 0.345 2.718 1.00 0.00 C ATOM 1658 ND1 HIS A 157 54.921 -0.127 1.524 1.00 0.00 N ATOM 1659 CD2 HIS A 157 56.369 -0.547 3.104 1.00 0.00 C ATOM 1660 CE1 HIS A 157 55.528 -1.255 1.207 1.00 0.00 C ATOM 1661 NE2 HIS A 157 56.412 -1.532 2.148 1.00 0.00 N ATOM 0 H HIS A 157 56.764 2.348 5.301 1.00 0.00 H new ATOM 0 HA HIS A 157 56.358 2.907 2.442 1.00 0.00 H new ATOM 0 HB2 HIS A 157 54.619 1.346 4.395 1.00 0.00 H new ATOM 0 HB3 HIS A 157 54.024 1.921 2.850 1.00 0.00 H new ATOM 0 HD1 HIS A 157 54.192 0.325 0.972 1.00 0.00 H new ATOM 0 HD2 HIS A 157 56.974 -0.494 3.997 1.00 0.00 H new ATOM 0 HE1 HIS A 157 55.335 -1.851 0.327 1.00 0.00 H new ATOM 1670 N ILE A 158 54.678 4.721 2.844 1.00 0.00 N ATOM 1671 CA ILE A 158 53.878 5.918 3.059 1.00 0.00 C ATOM 1672 C ILE A 158 52.514 5.735 2.400 1.00 0.00 C ATOM 1673 O ILE A 158 52.431 5.229 1.284 1.00 0.00 O ATOM 1674 CB ILE A 158 54.574 7.178 2.500 1.00 0.00 C ATOM 1675 CG1 ILE A 158 55.591 7.690 3.513 1.00 0.00 C ATOM 1676 CG2 ILE A 158 53.561 8.268 2.162 1.00 0.00 C ATOM 1677 CD1 ILE A 158 56.288 8.962 3.081 1.00 0.00 C ATOM 0 H ILE A 158 54.839 4.500 1.861 1.00 0.00 H new ATOM 0 HA ILE A 158 53.757 6.062 4.133 1.00 0.00 H new ATOM 0 HB ILE A 158 55.087 6.909 1.577 1.00 0.00 H new ATOM 0 HG12 ILE A 158 55.088 7.866 4.464 1.00 0.00 H new ATOM 0 HG13 ILE A 158 56.339 6.917 3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 158 54.083 9.141 1.771 1.00 0.00 H new ATOM 0 HG22 ILE A 158 52.863 7.896 1.412 1.00 0.00 H new ATOM 0 HG23 ILE A 158 53.012 8.546 3.062 1.00 0.00 H new ATOM 0 HD11 ILE A 158 56.997 9.268 3.850 1.00 0.00 H new ATOM 0 HD12 ILE A 158 56.820 8.786 2.146 1.00 0.00 H new ATOM 0 HD13 ILE A 158 55.549 9.750 2.935 1.00 0.00 H new ATOM 1689 N ILE A 159 51.452 6.125 3.092 1.00 0.00 N ATOM 1690 CA ILE A 159 50.103 5.973 2.553 1.00 0.00 C ATOM 1691 C ILE A 159 49.372 7.311 2.482 1.00 0.00 C ATOM 1692 O ILE A 159 49.717 8.261 3.184 1.00 0.00 O ATOM 1693 CB ILE A 159 49.280 4.983 3.402 1.00 0.00 C ATOM 1694 CG1 ILE A 159 49.945 3.604 3.398 1.00 0.00 C ATOM 1695 CG2 ILE A 159 47.850 4.885 2.885 1.00 0.00 C ATOM 1696 CD1 ILE A 159 49.992 2.954 4.762 1.00 0.00 C ATOM 0 H ILE A 159 51.495 6.546 4.020 1.00 0.00 H new ATOM 0 HA ILE A 159 50.206 5.581 1.541 1.00 0.00 H new ATOM 0 HB ILE A 159 49.246 5.354 4.426 1.00 0.00 H new ATOM 0 HG12 ILE A 159 49.406 2.951 2.711 1.00 0.00 H new ATOM 0 HG13 ILE A 159 50.961 3.700 3.015 1.00 0.00 H new ATOM 0 HG21 ILE A 159 47.288 4.181 3.499 1.00 0.00 H new ATOM 0 HG22 ILE A 159 47.378 5.866 2.934 1.00 0.00 H new ATOM 0 HG23 ILE A 159 47.860 4.538 1.852 1.00 0.00 H new ATOM 0 HD11 ILE A 159 50.476 1.980 4.685 1.00 0.00 H new ATOM 0 HD12 ILE A 159 50.556 3.586 5.447 1.00 0.00 H new ATOM 0 HD13 ILE A 159 48.977 2.826 5.139 1.00 0.00 H new ATOM 1708 N LEU A 160 48.353 7.374 1.626 1.00 0.00 N ATOM 1709 CA LEU A 160 47.562 8.588 1.458 1.00 0.00 C ATOM 1710 C LEU A 160 46.138 8.250 1.024 1.00 0.00 C ATOM 1711 O LEU A 160 45.906 7.834 -0.111 1.00 0.00 O ATOM 1712 CB LEU A 160 48.217 9.509 0.426 1.00 0.00 C ATOM 1713 CG LEU A 160 47.458 10.809 0.147 1.00 0.00 C ATOM 1714 CD1 LEU A 160 47.896 11.904 1.111 1.00 0.00 C ATOM 1715 CD2 LEU A 160 47.667 11.245 -1.295 1.00 0.00 C ATOM 0 H LEU A 160 48.057 6.595 1.038 1.00 0.00 H new ATOM 0 HA LEU A 160 47.519 9.102 2.418 1.00 0.00 H new ATOM 0 HB2 LEU A 160 49.221 9.758 0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 160 48.327 8.961 -0.510 1.00 0.00 H new ATOM 0 HG LEU A 160 46.394 10.628 0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 160 47.345 12.820 0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 160 47.693 11.590 2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 160 48.964 12.087 0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 160 47.121 12.171 -1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 160 48.729 11.409 -1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 160 47.300 10.469 -1.967 1.00 0.00 H new ATOM 1727 N ARG A 161 45.188 8.435 1.934 1.00 0.00 N ATOM 1728 CA ARG A 161 43.786 8.150 1.644 1.00 0.00 C ATOM 1729 C ARG A 161 43.183 9.229 0.752 1.00 0.00 C ATOM 1730 O ARG A 161 43.113 10.399 1.135 1.00 0.00 O ATOM 1731 CB ARG A 161 42.985 8.041 2.944 1.00 0.00 C ATOM 1732 CG ARG A 161 41.572 7.516 2.749 1.00 0.00 C ATOM 1733 CD ARG A 161 40.535 8.482 3.300 1.00 0.00 C ATOM 1734 NE ARG A 161 39.199 7.888 3.346 1.00 0.00 N ATOM 1735 CZ ARG A 161 38.784 7.064 4.304 1.00 0.00 C ATOM 1736 NH1 ARG A 161 39.599 6.726 5.298 1.00 0.00 N ATOM 1737 NH2 ARG A 161 37.553 6.573 4.270 1.00 0.00 N ATOM 0 H ARG A 161 45.362 8.781 2.878 1.00 0.00 H new ATOM 0 HA ARG A 161 43.738 7.198 1.115 1.00 0.00 H new ATOM 0 HB2 ARG A 161 43.515 7.384 3.633 1.00 0.00 H new ATOM 0 HB3 ARG A 161 42.937 9.023 3.414 1.00 0.00 H new ATOM 0 HG2 ARG A 161 41.388 7.350 1.687 1.00 0.00 H new ATOM 0 HG3 ARG A 161 41.470 6.551 3.245 1.00 0.00 H new ATOM 0 HD2 ARG A 161 40.827 8.794 4.303 1.00 0.00 H new ATOM 0 HD3 ARG A 161 40.511 9.379 2.681 1.00 0.00 H new ATOM 0 HE ARG A 161 38.546 8.120 2.598 1.00 0.00 H new ATOM 0 HH11 ARG A 161 40.548 7.099 5.329 1.00 0.00 H new ATOM 0 HH12 ARG A 161 39.276 6.094 6.030 1.00 0.00 H new ATOM 0 HH21 ARG A 161 36.923 6.827 3.509 1.00 0.00 H new ATOM 0 HH22 ARG A 161 37.235 5.941 5.005 1.00 0.00 H new ATOM 1751 N THR A 162 42.749 8.831 -0.439 1.00 0.00 N ATOM 1752 CA THR A 162 42.152 9.765 -1.385 1.00 0.00 C ATOM 1753 C THR A 162 40.630 9.684 -1.343 1.00 0.00 C ATOM 1754 O THR A 162 39.953 10.666 -1.041 1.00 0.00 O ATOM 1755 CB THR A 162 42.661 9.482 -2.800 1.00 0.00 C ATOM 1756 OG1 THR A 162 44.059 9.690 -2.881 1.00 0.00 O ATOM 1757 CG2 THR A 162 42.009 10.344 -3.861 1.00 0.00 C ATOM 0 H THR A 162 42.800 7.868 -0.772 1.00 0.00 H new ATOM 0 HA THR A 162 42.446 10.775 -1.100 1.00 0.00 H new ATOM 0 HB THR A 162 42.402 8.441 -2.993 1.00 0.00 H new ATOM 0 HG1 THR A 162 44.365 9.502 -3.793 1.00 0.00 H new ATOM 0 HG21 THR A 162 42.418 10.089 -4.839 1.00 0.00 H new ATOM 0 HG22 THR A 162 40.933 10.170 -3.861 1.00 0.00 H new ATOM 0 HG23 THR A 162 42.206 11.395 -3.648 1.00 0.00 H new ATOM 1765 N GLU A 163 40.098 8.503 -1.648 1.00 0.00 N ATOM 1766 CA GLU A 163 38.655 8.291 -1.646 1.00 0.00 C ATOM 1767 C GLU A 163 37.963 9.246 -2.614 1.00 0.00 C ATOM 1768 O GLU A 163 37.690 8.832 -3.761 1.00 0.00 O ATOM 1769 CB GLU A 163 38.091 8.472 -0.235 1.00 0.00 C ATOM 1770 CG GLU A 163 37.707 7.164 0.438 1.00 0.00 C ATOM 1771 CD GLU A 163 36.767 6.328 -0.410 1.00 0.00 C ATOM 1772 OE1 GLU A 163 37.263 5.535 -1.239 1.00 0.00 O ATOM 1773 OE2 GLU A 163 35.536 6.465 -0.245 1.00 0.00 O ATOM 1774 OXT GLU A 163 37.699 10.401 -2.217 1.00 0.00 O ATOM 0 H GLU A 163 40.645 7.680 -1.899 1.00 0.00 H new ATOM 0 HA GLU A 163 38.463 7.270 -1.975 1.00 0.00 H new ATOM 0 HB2 GLU A 163 38.831 8.984 0.380 1.00 0.00 H new ATOM 0 HB3 GLU A 163 37.214 9.118 -0.283 1.00 0.00 H new ATOM 0 HG2 GLU A 163 38.609 6.589 0.649 1.00 0.00 H new ATOM 0 HG3 GLU A 163 37.234 7.378 1.396 1.00 0.00 H new TER 1781 GLU A 163 HETATM 1782 S SO4 A 200 59.621 -7.796 -0.473 1.00 0.00 S HETATM 1783 O1 SO4 A 200 60.184 -9.153 -0.617 1.00 0.00 O HETATM 1784 O2 SO4 A 200 58.256 -7.887 0.078 1.00 0.00 O HETATM 1785 O3 SO4 A 200 59.576 -7.139 -1.792 1.00 0.00 O HETATM 1786 O4 SO4 A 200 60.469 -7.008 0.441 1.00 0.00 O