USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 669 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: C 19 LYS NZ :NH3+ -169:sc= 1.12 (180deg=0.0584!) USER MOD Set 1.2: C 93 GLN : amide:sc= -2.24! C(o=-1.1!,f=-2.9!) USER MOD Set 2.1: C 77 ASN : amide:sc= -8.12! K(o=-21!,f=-5) USER MOD Set 2.2: C 80 ASN : amide:sc= -12.6! C(o=-21!,f=-6!) USER MOD Set 3.1: C 71 THR OG1 : rot -150:sc= 0.928 USER MOD Set 3.2: C 74 ASN : amide:sc= 1.14 X(o=2.1,f=2.1) USER MOD Single : C 9 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : C 10 MET CE :methyl -166:sc= -0.024 (180deg=-0.279) USER MOD Single : C 11 ASN : amide:sc=-0.00886 X(o=-0.0089,f=-0.17) USER MOD Single : C 12 SER OG : rot 180:sc= 0 USER MOD Single : C 14 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : C 15 SER OG : rot 180:sc= 0 USER MOD Single : C 17 ASN : amide:sc= -2.49! C(o=-2.5!,f=-7!) USER MOD Single : C 21 ASN : amide:sc= -0.592! C(o=-0.59!,f=-3.9!) USER MOD Single : C 22 LYS NZ :NH3+ -172:sc= 1.74 (180deg=1.58) USER MOD Single : C 24 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0769) USER MOD Single : C 26 LYS NZ :NH3+ 168:sc= 1.13 (180deg=0.906) USER MOD Single : C 28 SER OG : rot 180:sc= 0 USER MOD Single : C 30 SER OG : rot 180:sc= 0 USER MOD Single : C 31 MET CE :methyl -129:sc= -2.64! (180deg=-3.06!) USER MOD Single : C 32 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : C 34 ASN : amide:sc= -0.475 X(o=-0.48,f=-0.41) USER MOD Single : C 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 39 THR OG1 : rot 180:sc= 0 USER MOD Single : C 40 SER OG : rot 45:sc= -0.124 USER MOD Single : C 41 SER OG : rot 180:sc= 0 USER MOD Single : C 42 ASN : amide:sc= -2.26 X(o=-2.3,f=-2.2!) USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 SER OG : rot 180:sc= 0.142 USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 53 ASN : amide:sc= -5.26! C(o=-5.3!,f=-4.2!) USER MOD Single : C 59 ASN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : C 62 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0619) USER MOD Single : C 64 TYR OH : rot 180:sc= 0 USER MOD Single : C 65 THR OG1 : rot 180:sc= 0 USER MOD Single : C 67 ASN : amide:sc= 0.094 X(o=0.094,f=0) USER MOD Single : C 69 LYS NZ :NH3+ -161:sc= -0.0614 (180deg=-0.387) USER MOD Single : C 70 SER OG : rot 91:sc= 0.139 USER MOD Single : C 76 SER OG : rot -64:sc= 1.04 USER MOD Single : C 81 LYS NZ :NH3+ -172:sc=-0.00653 (180deg=-0.0827) USER MOD Single : C 83 ASN : amide:sc= -5.81! C(o=-5.8!,f=-2.6!) USER MOD Single : C 85 LYS NZ :NH3+ -137:sc= -0.215 (180deg=-2.94!) USER MOD Single : C 88 TYR OH : rot 180:sc= 0 USER MOD Single : C 92 LYS NZ :NH3+ 135:sc= -0.141 (180deg=-0.897) USER MOD ----------------------------------------------------------------- ATOM 125 N GLN C 9 -11.500 -4.170 0.159 1.00 0.00 N ATOM 126 CA GLN C 9 -10.550 -4.112 1.264 1.00 0.00 C ATOM 127 C GLN C 9 -10.149 -5.521 1.694 1.00 0.00 C ATOM 128 O GLN C 9 -9.580 -5.719 2.769 1.00 0.00 O ATOM 129 CB GLN C 9 -11.178 -3.375 2.448 1.00 0.00 C ATOM 130 CG GLN C 9 -11.637 -1.963 2.121 1.00 0.00 C ATOM 131 CD GLN C 9 -12.574 -1.404 3.171 1.00 0.00 C ATOM 132 OE1 GLN C 9 -12.151 -0.774 4.141 1.00 0.00 O ATOM 133 NE2 GLN C 9 -13.862 -1.639 2.987 1.00 0.00 N ATOM 0 HA GLN C 9 -9.660 -3.577 0.932 1.00 0.00 H new ATOM 0 HB2 GLN C 9 -12.031 -3.949 2.810 1.00 0.00 H new ATOM 0 HB3 GLN C 9 -10.454 -3.332 3.262 1.00 0.00 H new ATOM 0 HG2 GLN C 9 -10.767 -1.313 2.031 1.00 0.00 H new ATOM 0 HG3 GLN C 9 -12.138 -1.962 1.153 1.00 0.00 H new ATOM 0 HE21 GLN C 9 -14.173 -2.165 2.170 1.00 0.00 H new ATOM 0 HE22 GLN C 9 -14.545 -1.294 3.662 1.00 0.00 H new ATOM 142 N MET C 10 -10.438 -6.492 0.841 1.00 0.00 N ATOM 143 CA MET C 10 -10.266 -7.895 1.183 1.00 0.00 C ATOM 144 C MET C 10 -9.037 -8.486 0.490 1.00 0.00 C ATOM 145 O MET C 10 -8.031 -7.801 0.311 1.00 0.00 O ATOM 146 CB MET C 10 -11.529 -8.672 0.802 1.00 0.00 C ATOM 147 CG MET C 10 -12.792 -8.150 1.474 1.00 0.00 C ATOM 148 SD MET C 10 -12.724 -8.253 3.274 1.00 0.00 S ATOM 149 CE MET C 10 -12.758 -10.029 3.516 1.00 0.00 C ATOM 0 H MET C 10 -10.796 -6.331 -0.101 1.00 0.00 H new ATOM 0 HA MET C 10 -10.106 -7.976 2.258 1.00 0.00 H new ATOM 0 HB2 MET C 10 -11.659 -8.630 -0.279 1.00 0.00 H new ATOM 0 HB3 MET C 10 -11.394 -9.721 1.066 1.00 0.00 H new ATOM 0 HG2 MET C 10 -12.951 -7.112 1.180 1.00 0.00 H new ATOM 0 HG3 MET C 10 -13.650 -8.718 1.115 1.00 0.00 H new ATOM 0 HE1 MET C 10 -12.971 -10.250 4.562 1.00 0.00 H new ATOM 0 HE2 MET C 10 -13.533 -10.467 2.887 1.00 0.00 H new ATOM 0 HE3 MET C 10 -11.790 -10.452 3.246 1.00 0.00 H new ATOM 159 N ASN C 11 -9.129 -9.750 0.089 1.00 0.00 N ATOM 160 CA ASN C 11 -7.984 -10.501 -0.435 1.00 0.00 C ATOM 161 C ASN C 11 -7.310 -9.804 -1.618 1.00 0.00 C ATOM 162 O ASN C 11 -6.107 -9.947 -1.815 1.00 0.00 O ATOM 163 CB ASN C 11 -8.423 -11.910 -0.841 1.00 0.00 C ATOM 164 CG ASN C 11 -8.972 -12.703 0.328 1.00 0.00 C ATOM 165 OD1 ASN C 11 -10.165 -12.638 0.632 1.00 0.00 O ATOM 166 ND2 ASN C 11 -8.114 -13.455 0.995 1.00 0.00 N ATOM 0 H ASN C 11 -9.997 -10.286 0.116 1.00 0.00 H new ATOM 0 HA ASN C 11 -7.247 -10.557 0.366 1.00 0.00 H new ATOM 0 HB2 ASN C 11 -9.184 -11.841 -1.619 1.00 0.00 H new ATOM 0 HB3 ASN C 11 -7.575 -12.442 -1.271 1.00 0.00 H new ATOM 0 HD21 ASN C 11 -8.432 -14.007 1.791 1.00 0.00 H new ATOM 0 HD22 ASN C 11 -7.134 -13.483 0.713 1.00 0.00 H new ATOM 173 N SER C 12 -8.075 -9.040 -2.389 1.00 0.00 N ATOM 174 CA SER C 12 -7.526 -8.327 -3.539 1.00 0.00 C ATOM 175 C SER C 12 -6.361 -7.420 -3.128 1.00 0.00 C ATOM 176 O SER C 12 -5.341 -7.355 -3.814 1.00 0.00 O ATOM 177 CB SER C 12 -8.620 -7.505 -4.218 1.00 0.00 C ATOM 178 OG SER C 12 -9.735 -8.321 -4.543 1.00 0.00 O ATOM 0 H SER C 12 -9.074 -8.898 -2.241 1.00 0.00 H new ATOM 0 HA SER C 12 -7.144 -9.066 -4.243 1.00 0.00 H new ATOM 0 HB2 SER C 12 -8.935 -6.696 -3.559 1.00 0.00 H new ATOM 0 HB3 SER C 12 -8.225 -7.043 -5.123 1.00 0.00 H new ATOM 0 HG SER C 12 -10.425 -7.775 -4.975 1.00 0.00 H new ATOM 184 N ILE C 13 -6.509 -6.739 -1.996 1.00 0.00 N ATOM 185 CA ILE C 13 -5.473 -5.834 -1.513 1.00 0.00 C ATOM 186 C ILE C 13 -4.498 -6.575 -0.596 1.00 0.00 C ATOM 187 O ILE C 13 -3.310 -6.253 -0.535 1.00 0.00 O ATOM 188 CB ILE C 13 -6.097 -4.605 -0.794 1.00 0.00 C ATOM 189 CG1 ILE C 13 -5.035 -3.553 -0.434 1.00 0.00 C ATOM 190 CG2 ILE C 13 -6.868 -5.033 0.446 1.00 0.00 C ATOM 191 CD1 ILE C 13 -4.397 -3.727 0.933 1.00 0.00 C ATOM 0 H ILE C 13 -7.333 -6.796 -1.398 1.00 0.00 H new ATOM 0 HA ILE C 13 -4.914 -5.464 -2.373 1.00 0.00 H new ATOM 0 HB ILE C 13 -6.794 -4.143 -1.493 1.00 0.00 H new ATOM 0 HG12 ILE C 13 -4.250 -3.577 -1.190 1.00 0.00 H new ATOM 0 HG13 ILE C 13 -5.493 -2.565 -0.481 1.00 0.00 H new ATOM 0 HG21 ILE C 13 -7.294 -4.155 0.930 1.00 0.00 H new ATOM 0 HG22 ILE C 13 -7.669 -5.714 0.159 1.00 0.00 H new ATOM 0 HG23 ILE C 13 -6.193 -5.537 1.138 1.00 0.00 H new ATOM 0 HD11 ILE C 13 -3.662 -2.938 1.095 1.00 0.00 H new ATOM 0 HD12 ILE C 13 -5.166 -3.670 1.703 1.00 0.00 H new ATOM 0 HD13 ILE C 13 -3.904 -4.698 0.984 1.00 0.00 H new ATOM 203 N ASN C 14 -4.989 -7.594 0.097 1.00 0.00 N ATOM 204 CA ASN C 14 -4.154 -8.354 1.021 1.00 0.00 C ATOM 205 C ASN C 14 -3.173 -9.237 0.266 1.00 0.00 C ATOM 206 O ASN C 14 -2.126 -9.599 0.795 1.00 0.00 O ATOM 207 CB ASN C 14 -4.990 -9.213 1.954 1.00 0.00 C ATOM 208 CG ASN C 14 -5.944 -8.408 2.815 1.00 0.00 C ATOM 209 OD1 ASN C 14 -5.701 -7.236 3.108 1.00 0.00 O ATOM 210 ND2 ASN C 14 -7.028 -9.036 3.243 1.00 0.00 N ATOM 0 H ASN C 14 -5.956 -7.913 0.038 1.00 0.00 H new ATOM 0 HA ASN C 14 -3.601 -7.629 1.618 1.00 0.00 H new ATOM 0 HB2 ASN C 14 -5.561 -9.930 1.363 1.00 0.00 H new ATOM 0 HB3 ASN C 14 -4.326 -9.789 2.599 1.00 0.00 H new ATOM 0 HD21 ASN C 14 -7.698 -8.549 3.838 1.00 0.00 H new ATOM 0 HD22 ASN C 14 -7.193 -10.007 2.978 1.00 0.00 H new ATOM 217 N SER C 15 -3.515 -9.595 -0.965 1.00 0.00 N ATOM 218 CA SER C 15 -2.576 -10.293 -1.829 1.00 0.00 C ATOM 219 C SER C 15 -1.320 -9.443 -1.995 1.00 0.00 C ATOM 220 O SER C 15 -0.200 -9.956 -2.027 1.00 0.00 O ATOM 221 CB SER C 15 -3.211 -10.587 -3.192 1.00 0.00 C ATOM 222 OG SER C 15 -2.351 -11.377 -3.998 1.00 0.00 O ATOM 0 H SER C 15 -4.428 -9.415 -1.384 1.00 0.00 H new ATOM 0 HA SER C 15 -2.309 -11.246 -1.373 1.00 0.00 H new ATOM 0 HB2 SER C 15 -4.159 -11.106 -3.050 1.00 0.00 H new ATOM 0 HB3 SER C 15 -3.433 -9.650 -3.703 1.00 0.00 H new ATOM 0 HG SER C 15 -2.781 -11.551 -4.861 1.00 0.00 H new ATOM 228 N VAL C 16 -1.516 -8.131 -2.064 1.00 0.00 N ATOM 229 CA VAL C 16 -0.404 -7.198 -2.120 1.00 0.00 C ATOM 230 C VAL C 16 0.341 -7.193 -0.795 1.00 0.00 C ATOM 231 O VAL C 16 1.556 -7.029 -0.767 1.00 0.00 O ATOM 232 CB VAL C 16 -0.868 -5.765 -2.447 1.00 0.00 C ATOM 233 CG1 VAL C 16 0.319 -4.818 -2.530 1.00 0.00 C ATOM 234 CG2 VAL C 16 -1.649 -5.742 -3.745 1.00 0.00 C ATOM 0 H VAL C 16 -2.437 -7.692 -2.082 1.00 0.00 H new ATOM 0 HA VAL C 16 0.257 -7.531 -2.920 1.00 0.00 H new ATOM 0 HB VAL C 16 -1.520 -5.429 -1.641 1.00 0.00 H new ATOM 0 HG11 VAL C 16 -0.033 -3.813 -2.762 1.00 0.00 H new ATOM 0 HG12 VAL C 16 0.844 -4.807 -1.575 1.00 0.00 H new ATOM 0 HG13 VAL C 16 0.998 -5.154 -3.313 1.00 0.00 H new ATOM 0 HG21 VAL C 16 -1.968 -4.722 -3.959 1.00 0.00 H new ATOM 0 HG22 VAL C 16 -1.017 -6.103 -4.556 1.00 0.00 H new ATOM 0 HG23 VAL C 16 -2.525 -6.385 -3.654 1.00 0.00 H new ATOM 244 N ASN C 17 -0.387 -7.404 0.302 1.00 0.00 N ATOM 245 CA ASN C 17 0.237 -7.477 1.624 1.00 0.00 C ATOM 246 C ASN C 17 1.265 -8.602 1.653 1.00 0.00 C ATOM 247 O ASN C 17 2.340 -8.464 2.238 1.00 0.00 O ATOM 248 CB ASN C 17 -0.815 -7.701 2.716 1.00 0.00 C ATOM 249 CG ASN C 17 -1.406 -6.412 3.258 1.00 0.00 C ATOM 250 OD1 ASN C 17 -0.976 -5.908 4.292 1.00 0.00 O ATOM 251 ND2 ASN C 17 -2.385 -5.858 2.560 1.00 0.00 N ATOM 0 H ASN C 17 -1.400 -7.526 0.303 1.00 0.00 H new ATOM 0 HA ASN C 17 0.736 -6.528 1.819 1.00 0.00 H new ATOM 0 HB2 ASN C 17 -1.618 -8.320 2.315 1.00 0.00 H new ATOM 0 HB3 ASN C 17 -0.363 -8.258 3.537 1.00 0.00 H new ATOM 0 HD21 ASN C 17 -2.807 -4.985 2.877 1.00 0.00 H new ATOM 0 HD22 ASN C 17 -2.718 -6.304 1.705 1.00 0.00 H new ATOM 258 N ASP C 18 0.932 -9.708 0.990 1.00 0.00 N ATOM 259 CA ASP C 18 1.833 -10.853 0.891 1.00 0.00 C ATOM 260 C ASP C 18 3.021 -10.529 -0.006 1.00 0.00 C ATOM 261 O ASP C 18 4.157 -10.902 0.286 1.00 0.00 O ATOM 262 CB ASP C 18 1.102 -12.078 0.332 1.00 0.00 C ATOM 263 CG ASP C 18 -0.030 -12.550 1.219 1.00 0.00 C ATOM 264 OD1 ASP C 18 0.229 -12.901 2.389 1.00 0.00 O ATOM 265 OD2 ASP C 18 -1.186 -12.592 0.745 1.00 0.00 O1- ATOM 0 H ASP C 18 0.040 -9.835 0.511 1.00 0.00 H new ATOM 0 HA ASP C 18 2.190 -11.077 1.896 1.00 0.00 H new ATOM 0 HB2 ASP C 18 0.707 -11.839 -0.655 1.00 0.00 H new ATOM 0 HB3 ASP C 18 1.816 -12.891 0.201 1.00 0.00 H new ATOM 270 N LYS C 19 2.749 -9.820 -1.095 1.00 0.00 N ATOM 271 CA LYS C 19 3.780 -9.462 -2.063 1.00 0.00 C ATOM 272 C LYS C 19 4.739 -8.463 -1.444 1.00 0.00 C ATOM 273 O LYS C 19 5.952 -8.522 -1.646 1.00 0.00 O ATOM 274 CB LYS C 19 3.136 -8.855 -3.311 1.00 0.00 C ATOM 275 CG LYS C 19 4.109 -8.589 -4.450 1.00 0.00 C ATOM 276 CD LYS C 19 4.026 -7.149 -4.934 1.00 0.00 C ATOM 277 CE LYS C 19 4.805 -6.196 -4.035 1.00 0.00 C ATOM 278 NZ LYS C 19 6.278 -6.338 -4.212 1.00 0.00 N1+ ATOM 0 H LYS C 19 1.817 -9.479 -1.331 1.00 0.00 H new ATOM 0 HA LYS C 19 4.329 -10.360 -2.347 1.00 0.00 H new ATOM 0 HB2 LYS C 19 2.354 -9.527 -3.666 1.00 0.00 H new ATOM 0 HB3 LYS C 19 2.651 -7.918 -3.036 1.00 0.00 H new ATOM 0 HG2 LYS C 19 5.125 -8.804 -4.119 1.00 0.00 H new ATOM 0 HG3 LYS C 19 3.894 -9.265 -5.278 1.00 0.00 H new ATOM 0 HD2 LYS C 19 4.414 -7.086 -5.951 1.00 0.00 H new ATOM 0 HD3 LYS C 19 2.982 -6.839 -4.971 1.00 0.00 H new ATOM 0 HE2 LYS C 19 4.511 -5.170 -4.254 1.00 0.00 H new ATOM 0 HE3 LYS C 19 4.545 -6.386 -2.994 1.00 0.00 H new ATOM 0 HZ1 LYS C 19 6.770 -5.815 -3.460 1.00 0.00 H new ATOM 0 HZ2 LYS C 19 6.538 -7.344 -4.161 1.00 0.00 H new ATOM 0 HZ3 LYS C 19 6.555 -5.955 -5.138 1.00 0.00 H new ATOM 292 N LEU C 20 4.169 -7.541 -0.694 1.00 0.00 N ATOM 293 CA LEU C 20 4.928 -6.522 -0.008 1.00 0.00 C ATOM 294 C LEU C 20 5.782 -7.131 1.083 1.00 0.00 C ATOM 295 O LEU C 20 6.950 -6.782 1.224 1.00 0.00 O ATOM 296 CB LEU C 20 3.975 -5.493 0.576 1.00 0.00 C ATOM 297 CG LEU C 20 3.440 -4.484 -0.437 1.00 0.00 C ATOM 298 CD1 LEU C 20 2.293 -3.687 0.156 1.00 0.00 C ATOM 299 CD2 LEU C 20 4.573 -3.563 -0.873 1.00 0.00 C ATOM 0 H LEU C 20 3.162 -7.480 -0.545 1.00 0.00 H new ATOM 0 HA LEU C 20 5.594 -6.035 -0.721 1.00 0.00 H new ATOM 0 HB2 LEU C 20 3.133 -6.013 1.032 1.00 0.00 H new ATOM 0 HB3 LEU C 20 4.486 -4.953 1.373 1.00 0.00 H new ATOM 0 HG LEU C 20 3.057 -5.015 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU C 20 1.926 -2.974 -0.582 1.00 0.00 H new ATOM 0 HD12 LEU C 20 1.487 -4.364 0.438 1.00 0.00 H new ATOM 0 HD13 LEU C 20 2.641 -3.150 1.038 1.00 0.00 H new ATOM 0 HD21 LEU C 20 4.196 -2.840 -1.597 1.00 0.00 H new ATOM 0 HD22 LEU C 20 4.967 -3.035 -0.005 1.00 0.00 H new ATOM 0 HD23 LEU C 20 5.367 -4.154 -1.330 1.00 0.00 H new ATOM 311 N ASN C 21 5.223 -8.086 1.812 1.00 0.00 N ATOM 312 CA ASN C 21 5.956 -8.766 2.872 1.00 0.00 C ATOM 313 C ASN C 21 6.863 -9.854 2.288 1.00 0.00 C ATOM 314 O ASN C 21 7.056 -10.915 2.878 1.00 0.00 O ATOM 315 CB ASN C 21 4.996 -9.336 3.924 1.00 0.00 C ATOM 316 CG ASN C 21 4.570 -8.287 4.943 1.00 0.00 C ATOM 317 OD1 ASN C 21 5.239 -8.091 5.959 1.00 0.00 O ATOM 318 ND2 ASN C 21 3.459 -7.604 4.691 1.00 0.00 N ATOM 0 H ASN C 21 4.263 -8.408 1.689 1.00 0.00 H new ATOM 0 HA ASN C 21 6.592 -8.037 3.373 1.00 0.00 H new ATOM 0 HB2 ASN C 21 4.113 -9.738 3.428 1.00 0.00 H new ATOM 0 HB3 ASN C 21 5.477 -10.167 4.440 1.00 0.00 H new ATOM 0 HD21 ASN C 21 3.137 -6.893 5.348 1.00 0.00 H new ATOM 0 HD22 ASN C 21 2.928 -7.790 3.840 1.00 0.00 H new ATOM 325 N LYS C 22 7.424 -9.530 1.127 1.00 0.00 N ATOM 326 CA LYS C 22 8.369 -10.367 0.379 1.00 0.00 C ATOM 327 C LYS C 22 9.497 -10.918 1.255 1.00 0.00 C ATOM 328 O LYS C 22 9.878 -12.081 1.146 1.00 0.00 O ATOM 329 CB LYS C 22 8.976 -9.483 -0.717 1.00 0.00 C ATOM 330 CG LYS C 22 9.397 -8.122 -0.167 1.00 0.00 C ATOM 331 CD LYS C 22 9.868 -7.152 -1.231 1.00 0.00 C ATOM 332 CE LYS C 22 10.075 -5.764 -0.632 1.00 0.00 C ATOM 333 NZ LYS C 22 8.795 -5.134 -0.207 1.00 0.00 N1+ ATOM 0 H LYS C 22 7.228 -8.645 0.660 1.00 0.00 H new ATOM 0 HA LYS C 22 7.834 -11.228 -0.023 1.00 0.00 H new ATOM 0 HB2 LYS C 22 9.840 -9.984 -1.153 1.00 0.00 H new ATOM 0 HB3 LYS C 22 8.250 -9.344 -1.518 1.00 0.00 H new ATOM 0 HG2 LYS C 22 8.556 -7.680 0.367 1.00 0.00 H new ATOM 0 HG3 LYS C 22 10.196 -8.266 0.560 1.00 0.00 H new ATOM 0 HD2 LYS C 22 10.800 -7.508 -1.670 1.00 0.00 H new ATOM 0 HD3 LYS C 22 9.135 -7.102 -2.036 1.00 0.00 H new ATOM 0 HE2 LYS C 22 10.743 -5.837 0.226 1.00 0.00 H new ATOM 0 HE3 LYS C 22 10.566 -5.124 -1.365 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 8.968 -4.146 0.066 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 8.116 -5.162 -0.994 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 8.405 -5.654 0.605 1.00 0.00 H new ATOM 347 N GLY C 23 10.016 -10.067 2.121 1.00 0.00 N ATOM 348 CA GLY C 23 11.146 -10.411 2.956 1.00 0.00 C ATOM 349 C GLY C 23 11.539 -9.208 3.763 1.00 0.00 C ATOM 350 O GLY C 23 11.296 -9.148 4.965 1.00 0.00 O ATOM 0 H GLY C 23 9.665 -9.120 2.263 1.00 0.00 H new ATOM 0 HA2 GLY C 23 10.889 -11.240 3.616 1.00 0.00 H new ATOM 0 HA3 GLY C 23 11.983 -10.742 2.340 1.00 0.00 H new ATOM 354 N LYS C 24 12.111 -8.225 3.090 1.00 0.00 N ATOM 355 CA LYS C 24 12.210 -6.898 3.660 1.00 0.00 C ATOM 356 C LYS C 24 10.930 -6.148 3.360 1.00 0.00 C ATOM 357 O LYS C 24 9.944 -6.748 2.921 1.00 0.00 O ATOM 358 CB LYS C 24 13.386 -6.103 3.093 1.00 0.00 C ATOM 359 CG LYS C 24 14.737 -6.726 3.340 1.00 0.00 C ATOM 360 CD LYS C 24 15.829 -5.693 3.164 1.00 0.00 C ATOM 361 CE LYS C 24 17.202 -6.338 3.094 1.00 0.00 C ATOM 362 NZ LYS C 24 17.501 -7.141 4.310 1.00 0.00 N1+ ATOM 0 H LYS C 24 12.510 -8.321 2.156 1.00 0.00 H new ATOM 0 HA LYS C 24 12.371 -7.008 4.732 1.00 0.00 H new ATOM 0 HB2 LYS C 24 13.245 -5.985 2.019 1.00 0.00 H new ATOM 0 HB3 LYS C 24 13.376 -5.103 3.527 1.00 0.00 H new ATOM 0 HG2 LYS C 24 14.776 -7.139 4.348 1.00 0.00 H new ATOM 0 HG3 LYS C 24 14.895 -7.554 2.650 1.00 0.00 H new ATOM 0 HD2 LYS C 24 15.648 -5.122 2.253 1.00 0.00 H new ATOM 0 HD3 LYS C 24 15.800 -4.987 3.994 1.00 0.00 H new ATOM 0 HE2 LYS C 24 17.258 -6.978 2.214 1.00 0.00 H new ATOM 0 HE3 LYS C 24 17.961 -5.565 2.974 1.00 0.00 H new ATOM 0 HZ1 LYS C 24 18.488 -7.466 4.277 1.00 0.00 H new ATOM 0 HZ2 LYS C 24 17.357 -6.555 5.157 1.00 0.00 H new ATOM 0 HZ3 LYS C 24 16.867 -7.964 4.347 1.00 0.00 H new ATOM 376 N GLY C 25 10.973 -4.844 3.576 1.00 0.00 N ATOM 377 CA GLY C 25 9.846 -3.976 3.300 1.00 0.00 C ATOM 378 C GLY C 25 8.525 -4.533 3.700 1.00 0.00 C ATOM 379 O GLY C 25 7.716 -4.925 2.867 1.00 0.00 O ATOM 0 H GLY C 25 11.790 -4.360 3.947 1.00 0.00 H new ATOM 0 HA2 GLY C 25 9.998 -3.029 3.817 1.00 0.00 H new ATOM 0 HA3 GLY C 25 9.825 -3.757 2.232 1.00 0.00 H new ATOM 383 N LYS C 26 8.302 -4.519 4.964 1.00 0.00 N ATOM 384 CA LYS C 26 7.166 -5.175 5.541 1.00 0.00 C ATOM 385 C LYS C 26 5.970 -4.244 5.593 1.00 0.00 C ATOM 386 O LYS C 26 5.662 -3.709 6.650 1.00 0.00 O ATOM 387 CB LYS C 26 7.572 -5.545 6.935 1.00 0.00 C ATOM 388 CG LYS C 26 8.926 -6.210 7.015 1.00 0.00 C ATOM 389 CD LYS C 26 8.842 -7.722 6.935 1.00 0.00 C ATOM 390 CE LYS C 26 8.373 -8.173 5.569 1.00 0.00 C ATOM 391 NZ LYS C 26 8.615 -9.627 5.360 1.00 0.00 N1+ ATOM 0 H LYS C 26 8.904 -4.050 5.641 1.00 0.00 H new ATOM 0 HA LYS C 26 6.876 -6.043 4.949 1.00 0.00 H new ATOM 0 HB2 LYS C 26 7.581 -4.647 7.552 1.00 0.00 H new ATOM 0 HB3 LYS C 26 6.822 -6.214 7.357 1.00 0.00 H new ATOM 0 HG2 LYS C 26 9.555 -5.842 6.205 1.00 0.00 H new ATOM 0 HG3 LYS C 26 9.411 -5.926 7.949 1.00 0.00 H new ATOM 0 HD2 LYS C 26 9.819 -8.155 7.148 1.00 0.00 H new ATOM 0 HD3 LYS C 26 8.157 -8.092 7.698 1.00 0.00 H new ATOM 0 HE2 LYS C 26 7.309 -7.961 5.460 1.00 0.00 H new ATOM 0 HE3 LYS C 26 8.892 -7.603 4.799 1.00 0.00 H new ATOM 0 HZ1 LYS C 26 8.106 -9.945 4.511 1.00 0.00 H new ATOM 0 HZ2 LYS C 26 9.634 -9.795 5.237 1.00 0.00 H new ATOM 0 HZ3 LYS C 26 8.274 -10.158 6.187 1.00 0.00 H new ATOM 405 N LEU C 27 5.291 -4.052 4.477 1.00 0.00 N ATOM 406 CA LEU C 27 4.153 -3.153 4.467 1.00 0.00 C ATOM 407 C LEU C 27 2.884 -3.902 4.847 1.00 0.00 C ATOM 408 O LEU C 27 2.362 -4.703 4.076 1.00 0.00 O ATOM 409 CB LEU C 27 3.993 -2.455 3.106 1.00 0.00 C ATOM 410 CG LEU C 27 3.009 -1.279 3.098 1.00 0.00 C ATOM 411 CD1 LEU C 27 3.231 -0.384 4.306 1.00 0.00 C ATOM 412 CD2 LEU C 27 3.149 -0.472 1.814 1.00 0.00 C ATOM 0 H LEU C 27 5.502 -4.496 3.583 1.00 0.00 H new ATOM 0 HA LEU C 27 4.334 -2.376 5.209 1.00 0.00 H new ATOM 0 HB2 LEU C 27 4.969 -2.096 2.781 1.00 0.00 H new ATOM 0 HB3 LEU C 27 3.664 -3.191 2.373 1.00 0.00 H new ATOM 0 HG LEU C 27 1.998 -1.683 3.147 1.00 0.00 H new ATOM 0 HD11 LEU C 27 2.522 0.444 4.281 1.00 0.00 H new ATOM 0 HD12 LEU C 27 3.082 -0.961 5.219 1.00 0.00 H new ATOM 0 HD13 LEU C 27 4.248 0.008 4.286 1.00 0.00 H new ATOM 0 HD21 LEU C 27 2.443 0.358 1.827 1.00 0.00 H new ATOM 0 HD22 LEU C 27 4.164 -0.083 1.738 1.00 0.00 H new ATOM 0 HD23 LEU C 27 2.940 -1.113 0.957 1.00 0.00 H new ATOM 424 N SER C 28 2.426 -3.656 6.061 1.00 0.00 N ATOM 425 CA SER C 28 1.203 -4.253 6.567 1.00 0.00 C ATOM 426 C SER C 28 0.065 -3.236 6.486 1.00 0.00 C ATOM 427 O SER C 28 0.038 -2.274 7.253 1.00 0.00 O ATOM 428 CB SER C 28 1.419 -4.680 8.017 1.00 0.00 C ATOM 429 OG SER C 28 2.474 -5.625 8.119 1.00 0.00 O ATOM 0 H SER C 28 2.891 -3.037 6.724 1.00 0.00 H new ATOM 0 HA SER C 28 0.941 -5.125 5.967 1.00 0.00 H new ATOM 0 HB2 SER C 28 1.649 -3.806 8.626 1.00 0.00 H new ATOM 0 HB3 SER C 28 0.500 -5.112 8.413 1.00 0.00 H new ATOM 0 HG SER C 28 2.594 -5.881 9.057 1.00 0.00 H new ATOM 435 N LEU C 29 -0.866 -3.444 5.563 1.00 0.00 N ATOM 436 CA LEU C 29 -1.890 -2.443 5.281 1.00 0.00 C ATOM 437 C LEU C 29 -3.265 -2.908 5.689 1.00 0.00 C ATOM 438 O LEU C 29 -3.615 -4.082 5.544 1.00 0.00 O ATOM 439 CB LEU C 29 -1.907 -2.082 3.794 1.00 0.00 C ATOM 440 CG LEU C 29 -0.537 -1.900 3.148 1.00 0.00 C ATOM 441 CD1 LEU C 29 -0.034 -3.219 2.591 1.00 0.00 C ATOM 442 CD2 LEU C 29 -0.596 -0.853 2.057 1.00 0.00 C ATOM 0 H LEU C 29 -0.934 -4.291 4.999 1.00 0.00 H new ATOM 0 HA LEU C 29 -1.633 -1.563 5.870 1.00 0.00 H new ATOM 0 HB2 LEU C 29 -2.443 -2.863 3.254 1.00 0.00 H new ATOM 0 HB3 LEU C 29 -2.474 -1.160 3.668 1.00 0.00 H new ATOM 0 HG LEU C 29 0.160 -1.559 3.913 1.00 0.00 H new ATOM 0 HD11 LEU C 29 0.944 -3.071 2.134 1.00 0.00 H new ATOM 0 HD12 LEU C 29 0.049 -3.947 3.398 1.00 0.00 H new ATOM 0 HD13 LEU C 29 -0.733 -3.587 1.841 1.00 0.00 H new ATOM 0 HD21 LEU C 29 0.391 -0.738 1.609 1.00 0.00 H new ATOM 0 HD22 LEU C 29 -1.308 -1.164 1.292 1.00 0.00 H new ATOM 0 HD23 LEU C 29 -0.914 0.099 2.483 1.00 0.00 H new ATOM 454 N SER C 30 -4.042 -1.969 6.197 1.00 0.00 N ATOM 455 CA SER C 30 -5.418 -2.231 6.512 1.00 0.00 C ATOM 456 C SER C 30 -6.264 -0.992 6.230 1.00 0.00 C ATOM 457 O SER C 30 -5.926 0.115 6.657 1.00 0.00 O ATOM 458 CB SER C 30 -5.562 -2.668 7.972 1.00 0.00 C ATOM 459 OG SER C 30 -6.888 -3.082 8.259 1.00 0.00 O ATOM 0 H SER C 30 -3.734 -1.018 6.398 1.00 0.00 H new ATOM 0 HA SER C 30 -5.774 -3.045 5.881 1.00 0.00 H new ATOM 0 HB2 SER C 30 -4.871 -3.485 8.179 1.00 0.00 H new ATOM 0 HB3 SER C 30 -5.286 -1.843 8.629 1.00 0.00 H new ATOM 0 HG SER C 30 -6.949 -3.357 9.198 1.00 0.00 H new ATOM 465 N MET C 31 -7.352 -1.182 5.494 1.00 0.00 N ATOM 466 CA MET C 31 -8.255 -0.087 5.155 1.00 0.00 C ATOM 467 C MET C 31 -9.509 -0.146 6.008 1.00 0.00 C ATOM 468 O MET C 31 -9.964 -1.227 6.380 1.00 0.00 O ATOM 469 CB MET C 31 -8.643 -0.136 3.675 1.00 0.00 C ATOM 470 CG MET C 31 -7.542 0.323 2.736 1.00 0.00 C ATOM 471 SD MET C 31 -8.008 0.221 1.000 1.00 0.00 S ATOM 472 CE MET C 31 -8.095 -1.550 0.771 1.00 0.00 C ATOM 0 H MET C 31 -7.632 -2.088 5.119 1.00 0.00 H new ATOM 0 HA MET C 31 -7.730 0.848 5.351 1.00 0.00 H new ATOM 0 HB2 MET C 31 -8.925 -1.157 3.417 1.00 0.00 H new ATOM 0 HB3 MET C 31 -9.523 0.487 3.519 1.00 0.00 H new ATOM 0 HG2 MET C 31 -7.275 1.352 2.975 1.00 0.00 H new ATOM 0 HG3 MET C 31 -6.653 -0.284 2.904 1.00 0.00 H new ATOM 0 HE1 MET C 31 -7.506 -1.833 -0.101 1.00 0.00 H new ATOM 0 HE2 MET C 31 -7.700 -2.051 1.655 1.00 0.00 H new ATOM 0 HE3 MET C 31 -9.133 -1.847 0.620 1.00 0.00 H new ATOM 482 N ASN C 32 -10.046 1.017 6.345 1.00 0.00 N ATOM 483 CA ASN C 32 -11.312 1.098 7.062 1.00 0.00 C ATOM 484 C ASN C 32 -12.066 2.356 6.666 1.00 0.00 C ATOM 485 O ASN C 32 -11.851 3.426 7.238 1.00 0.00 O ATOM 486 CB ASN C 32 -11.105 1.078 8.580 1.00 0.00 C ATOM 487 CG ASN C 32 -12.421 1.136 9.339 1.00 0.00 C ATOM 488 OD1 ASN C 32 -13.453 0.667 8.854 1.00 0.00 O ATOM 489 ND2 ASN C 32 -12.399 1.707 10.532 1.00 0.00 N ATOM 0 H ASN C 32 -9.624 1.921 6.133 1.00 0.00 H new ATOM 0 HA ASN C 32 -11.898 0.221 6.787 1.00 0.00 H new ATOM 0 HB2 ASN C 32 -10.566 0.173 8.860 1.00 0.00 H new ATOM 0 HB3 ASN C 32 -10.482 1.923 8.871 1.00 0.00 H new ATOM 0 HD21 ASN C 32 -13.255 1.770 11.083 1.00 0.00 H new ATOM 0 HD22 ASN C 32 -11.526 2.084 10.901 1.00 0.00 H new ATOM 496 N GLY C 33 -12.921 2.227 5.662 1.00 0.00 N ATOM 497 CA GLY C 33 -13.778 3.326 5.263 1.00 0.00 C ATOM 498 C GLY C 33 -13.012 4.480 4.643 1.00 0.00 C ATOM 499 O GLY C 33 -12.753 4.482 3.441 1.00 0.00 O ATOM 0 H GLY C 33 -13.037 1.375 5.113 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -14.517 2.962 4.549 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -14.326 3.687 6.133 1.00 0.00 H new ATOM 503 N ASN C 34 -12.644 5.457 5.462 1.00 0.00 N ATOM 504 CA ASN C 34 -11.965 6.652 4.977 1.00 0.00 C ATOM 505 C ASN C 34 -10.505 6.661 5.401 1.00 0.00 C ATOM 506 O ASN C 34 -9.847 7.698 5.350 1.00 0.00 O ATOM 507 CB ASN C 34 -12.634 7.914 5.530 1.00 0.00 C ATOM 508 CG ASN C 34 -12.524 8.021 7.045 1.00 0.00 C ATOM 509 OD1 ASN C 34 -13.473 7.727 7.770 1.00 0.00 O ATOM 510 ND2 ASN C 34 -11.346 8.389 7.537 1.00 0.00 N ATOM 0 H ASN C 34 -12.805 5.445 6.469 1.00 0.00 H new ATOM 0 HA ASN C 34 -12.029 6.641 3.889 1.00 0.00 H new ATOM 0 HB2 ASN C 34 -12.177 8.792 5.074 1.00 0.00 H new ATOM 0 HB3 ASN C 34 -13.686 7.917 5.245 1.00 0.00 H new ATOM 0 HD21 ASN C 34 -11.207 8.435 8.546 1.00 0.00 H new ATOM 0 HD22 ASN C 34 -10.581 8.626 6.905 1.00 0.00 H new ATOM 517 N GLN C 35 -9.995 5.529 5.839 1.00 0.00 N ATOM 518 CA GLN C 35 -8.666 5.501 6.409 1.00 0.00 C ATOM 519 C GLN C 35 -7.831 4.352 5.876 1.00 0.00 C ATOM 520 O GLN C 35 -8.311 3.231 5.704 1.00 0.00 O ATOM 521 CB GLN C 35 -8.733 5.414 7.932 1.00 0.00 C ATOM 522 CG GLN C 35 -7.362 5.472 8.580 1.00 0.00 C ATOM 523 CD GLN C 35 -7.410 5.359 10.091 1.00 0.00 C ATOM 524 OE1 GLN C 35 -7.522 6.363 10.794 1.00 0.00 O ATOM 525 NE2 GLN C 35 -7.317 4.143 10.601 1.00 0.00 N ATOM 0 H GLN C 35 -10.473 4.628 5.812 1.00 0.00 H new ATOM 0 HA GLN C 35 -8.183 6.432 6.114 1.00 0.00 H new ATOM 0 HB2 GLN C 35 -9.346 6.231 8.312 1.00 0.00 H new ATOM 0 HB3 GLN C 35 -9.227 4.485 8.218 1.00 0.00 H new ATOM 0 HG2 GLN C 35 -6.745 4.667 8.181 1.00 0.00 H new ATOM 0 HG3 GLN C 35 -6.878 6.410 8.307 1.00 0.00 H new ATOM 0 HE21 GLN C 35 -7.225 3.337 9.983 1.00 0.00 H new ATOM 0 HE22 GLN C 35 -7.337 4.011 11.612 1.00 0.00 H new ATOM 534 N LEU C 36 -6.573 4.664 5.624 1.00 0.00 N ATOM 535 CA LEU C 36 -5.565 3.675 5.317 1.00 0.00 C ATOM 536 C LEU C 36 -4.382 3.916 6.246 1.00 0.00 C ATOM 537 O LEU C 36 -3.833 5.016 6.287 1.00 0.00 O ATOM 538 CB LEU C 36 -5.162 3.775 3.832 1.00 0.00 C ATOM 539 CG LEU C 36 -4.167 2.719 3.297 1.00 0.00 C ATOM 540 CD1 LEU C 36 -2.734 3.085 3.632 1.00 0.00 C ATOM 541 CD2 LEU C 36 -4.486 1.337 3.847 1.00 0.00 C ATOM 0 H LEU C 36 -6.222 5.622 5.628 1.00 0.00 H new ATOM 0 HA LEU C 36 -5.944 2.665 5.474 1.00 0.00 H new ATOM 0 HB2 LEU C 36 -6.070 3.719 3.231 1.00 0.00 H new ATOM 0 HB3 LEU C 36 -4.730 4.762 3.665 1.00 0.00 H new ATOM 0 HG LEU C 36 -4.274 2.701 2.212 1.00 0.00 H new ATOM 0 HD11 LEU C 36 -2.062 2.321 3.241 1.00 0.00 H new ATOM 0 HD12 LEU C 36 -2.490 4.047 3.182 1.00 0.00 H new ATOM 0 HD13 LEU C 36 -2.619 3.150 4.714 1.00 0.00 H new ATOM 0 HD21 LEU C 36 -3.770 0.615 3.454 1.00 0.00 H new ATOM 0 HD22 LEU C 36 -4.423 1.355 4.935 1.00 0.00 H new ATOM 0 HD23 LEU C 36 -5.494 1.050 3.547 1.00 0.00 H new ATOM 553 N LYS C 37 -4.053 2.910 7.031 1.00 0.00 N ATOM 554 CA LYS C 37 -2.929 2.970 7.954 1.00 0.00 C ATOM 555 C LYS C 37 -2.115 1.691 7.784 1.00 0.00 C ATOM 556 O LYS C 37 -2.678 0.607 7.597 1.00 0.00 O ATOM 557 CB LYS C 37 -3.418 3.156 9.404 1.00 0.00 C ATOM 558 CG LYS C 37 -4.452 2.140 9.885 1.00 0.00 C ATOM 559 CD LYS C 37 -3.803 0.888 10.457 1.00 0.00 C ATOM 560 CE LYS C 37 -4.843 -0.105 10.949 1.00 0.00 C ATOM 561 NZ LYS C 37 -4.222 -1.351 11.474 1.00 0.00 N1+ ATOM 0 H LYS C 37 -4.557 2.023 7.050 1.00 0.00 H new ATOM 0 HA LYS C 37 -2.298 3.831 7.733 1.00 0.00 H new ATOM 0 HB2 LYS C 37 -2.555 3.112 10.068 1.00 0.00 H new ATOM 0 HB3 LYS C 37 -3.844 4.155 9.500 1.00 0.00 H new ATOM 0 HG2 LYS C 37 -5.084 2.599 10.645 1.00 0.00 H new ATOM 0 HG3 LYS C 37 -5.101 1.864 9.054 1.00 0.00 H new ATOM 0 HD2 LYS C 37 -3.182 0.418 9.694 1.00 0.00 H new ATOM 0 HD3 LYS C 37 -3.143 1.163 11.280 1.00 0.00 H new ATOM 0 HE2 LYS C 37 -5.444 0.358 11.732 1.00 0.00 H new ATOM 0 HE3 LYS C 37 -5.521 -0.354 10.132 1.00 0.00 H new ATOM 0 HZ1 LYS C 37 -4.967 -2.000 11.799 1.00 0.00 H new ATOM 0 HZ2 LYS C 37 -3.669 -1.808 10.721 1.00 0.00 H new ATOM 0 HZ3 LYS C 37 -3.595 -1.118 12.270 1.00 0.00 H new ATOM 575 N ALA C 38 -0.809 1.818 7.811 1.00 0.00 N ATOM 576 CA ALA C 38 0.066 0.708 7.487 1.00 0.00 C ATOM 577 C ALA C 38 1.385 0.828 8.224 1.00 0.00 C ATOM 578 O ALA C 38 1.879 1.935 8.449 1.00 0.00 O ATOM 579 CB ALA C 38 0.300 0.654 5.984 1.00 0.00 C ATOM 0 H ALA C 38 -0.324 2.682 8.055 1.00 0.00 H new ATOM 0 HA ALA C 38 -0.415 -0.217 7.805 1.00 0.00 H new ATOM 0 HB1 ALA C 38 0.958 -0.182 5.748 1.00 0.00 H new ATOM 0 HB2 ALA C 38 -0.653 0.521 5.472 1.00 0.00 H new ATOM 0 HB3 ALA C 38 0.763 1.584 5.654 1.00 0.00 H new ATOM 585 N THR C 39 1.948 -0.304 8.598 1.00 0.00 N ATOM 586 CA THR C 39 3.213 -0.322 9.304 1.00 0.00 C ATOM 587 C THR C 39 4.259 -1.069 8.505 1.00 0.00 C ATOM 588 O THR C 39 3.927 -1.967 7.731 1.00 0.00 O ATOM 589 CB THR C 39 3.068 -0.971 10.694 1.00 0.00 C ATOM 590 OG1 THR C 39 2.581 -2.314 10.556 1.00 0.00 O ATOM 591 CG2 THR C 39 2.117 -0.172 11.571 1.00 0.00 C ATOM 0 H THR C 39 1.548 -1.226 8.424 1.00 0.00 H new ATOM 0 HA THR C 39 3.530 0.713 9.434 1.00 0.00 H new ATOM 0 HB THR C 39 4.049 -0.983 11.169 1.00 0.00 H new ATOM 0 HG1 THR C 39 2.492 -2.723 11.442 1.00 0.00 H new ATOM 0 HG21 THR C 39 2.032 -0.651 12.546 1.00 0.00 H new ATOM 0 HG22 THR C 39 2.501 0.840 11.696 1.00 0.00 H new ATOM 0 HG23 THR C 39 1.135 -0.132 11.100 1.00 0.00 H new ATOM 599 N SER C 40 5.511 -0.685 8.680 1.00 0.00 N ATOM 600 CA SER C 40 6.606 -1.361 8.021 1.00 0.00 C ATOM 601 C SER C 40 7.632 -1.845 9.026 1.00 0.00 C ATOM 602 O SER C 40 8.263 -1.054 9.728 1.00 0.00 O ATOM 603 CB SER C 40 7.249 -0.433 7.007 1.00 0.00 C ATOM 604 OG SER C 40 7.372 0.882 7.523 1.00 0.00 O ATOM 0 H SER C 40 5.792 0.094 9.275 1.00 0.00 H new ATOM 0 HA SER C 40 6.211 -2.235 7.503 1.00 0.00 H new ATOM 0 HB2 SER C 40 8.233 -0.813 6.735 1.00 0.00 H new ATOM 0 HB3 SER C 40 6.651 -0.415 6.096 1.00 0.00 H new ATOM 0 HG SER C 40 7.720 0.843 8.438 1.00 0.00 H new ATOM 610 N SER C 41 7.784 -3.149 9.089 1.00 0.00 N ATOM 611 CA SER C 41 8.787 -3.764 9.930 1.00 0.00 C ATOM 612 C SER C 41 10.102 -3.926 9.175 1.00 0.00 C ATOM 613 O SER C 41 10.204 -3.541 8.001 1.00 0.00 O ATOM 614 CB SER C 41 8.275 -5.114 10.434 1.00 0.00 C ATOM 615 OG SER C 41 7.021 -4.960 11.084 1.00 0.00 O ATOM 0 H SER C 41 7.217 -3.812 8.560 1.00 0.00 H new ATOM 0 HA SER C 41 8.977 -3.118 10.787 1.00 0.00 H new ATOM 0 HB2 SER C 41 8.175 -5.807 9.598 1.00 0.00 H new ATOM 0 HB3 SER C 41 8.998 -5.549 11.124 1.00 0.00 H new ATOM 0 HG SER C 41 6.706 -5.833 11.399 1.00 0.00 H new ATOM 621 N ASN C 42 11.091 -4.505 9.854 1.00 0.00 N ATOM 622 CA ASN C 42 12.458 -4.577 9.352 1.00 0.00 C ATOM 623 C ASN C 42 12.992 -3.175 9.132 1.00 0.00 C ATOM 624 O ASN C 42 13.598 -2.872 8.105 1.00 0.00 O ATOM 625 CB ASN C 42 12.574 -5.419 8.074 1.00 0.00 C ATOM 626 CG ASN C 42 12.500 -6.908 8.358 1.00 0.00 C ATOM 627 OD1 ASN C 42 12.794 -7.358 9.466 1.00 0.00 O ATOM 628 ND2 ASN C 42 12.137 -7.688 7.355 1.00 0.00 N ATOM 0 H ASN C 42 10.964 -4.937 10.769 1.00 0.00 H new ATOM 0 HA ASN C 42 13.064 -5.082 10.104 1.00 0.00 H new ATOM 0 HB2 ASN C 42 11.776 -5.142 7.385 1.00 0.00 H new ATOM 0 HB3 ASN C 42 13.517 -5.192 7.576 1.00 0.00 H new ATOM 0 HD21 ASN C 42 12.093 -8.699 7.485 1.00 0.00 H new ATOM 0 HD22 ASN C 42 11.900 -7.279 6.451 1.00 0.00 H new ATOM 635 N ALA C 43 12.695 -2.315 10.108 1.00 0.00 N ATOM 636 CA ALA C 43 13.209 -0.952 10.161 1.00 0.00 C ATOM 637 C ALA C 43 12.781 -0.120 8.956 1.00 0.00 C ATOM 638 O ALA C 43 13.418 0.881 8.624 1.00 0.00 O ATOM 639 CB ALA C 43 14.717 -0.971 10.298 1.00 0.00 C ATOM 0 H ALA C 43 12.084 -2.551 10.890 1.00 0.00 H new ATOM 0 HA ALA C 43 12.776 -0.472 11.039 1.00 0.00 H new ATOM 0 HB1 ALA C 43 15.092 0.052 10.337 1.00 0.00 H new ATOM 0 HB2 ALA C 43 14.993 -1.493 11.214 1.00 0.00 H new ATOM 0 HB3 ALA C 43 15.154 -1.485 9.442 1.00 0.00 H new ATOM 645 N GLY C 44 11.704 -0.536 8.305 1.00 0.00 N ATOM 646 CA GLY C 44 11.151 0.238 7.212 1.00 0.00 C ATOM 647 C GLY C 44 12.003 0.209 5.962 1.00 0.00 C ATOM 648 O GLY C 44 11.921 1.115 5.138 1.00 0.00 O ATOM 0 H GLY C 44 11.202 -1.399 8.515 1.00 0.00 H new ATOM 0 HA2 GLY C 44 10.157 -0.142 6.974 1.00 0.00 H new ATOM 0 HA3 GLY C 44 11.028 1.272 7.535 1.00 0.00 H new ATOM 652 N TYR C 45 12.825 -0.823 5.817 1.00 0.00 N ATOM 653 CA TYR C 45 13.634 -0.974 4.616 1.00 0.00 C ATOM 654 C TYR C 45 12.757 -1.277 3.411 1.00 0.00 C ATOM 655 O TYR C 45 11.631 -1.737 3.566 1.00 0.00 O ATOM 656 CB TYR C 45 14.687 -2.064 4.795 1.00 0.00 C ATOM 657 CG TYR C 45 15.877 -1.600 5.617 1.00 0.00 C ATOM 658 CD1 TYR C 45 16.223 -2.203 6.825 1.00 0.00 C ATOM 659 CD2 TYR C 45 16.649 -0.529 5.179 1.00 0.00 C ATOM 660 CE1 TYR C 45 17.298 -1.747 7.566 1.00 0.00 C ATOM 661 CE2 TYR C 45 17.724 -0.075 5.913 1.00 0.00 C ATOM 662 CZ TYR C 45 18.044 -0.685 7.104 1.00 0.00 C ATOM 663 OH TYR C 45 19.110 -0.220 7.843 1.00 0.00 O ATOM 0 H TYR C 45 12.948 -1.561 6.510 1.00 0.00 H new ATOM 0 HA TYR C 45 14.150 -0.030 4.441 1.00 0.00 H new ATOM 0 HB2 TYR C 45 14.231 -2.928 5.279 1.00 0.00 H new ATOM 0 HB3 TYR C 45 15.033 -2.393 3.815 1.00 0.00 H new ATOM 0 HD1 TYR C 45 15.643 -3.039 7.188 1.00 0.00 H new ATOM 0 HD2 TYR C 45 16.402 -0.044 4.246 1.00 0.00 H new ATOM 0 HE1 TYR C 45 17.551 -2.221 8.503 1.00 0.00 H new ATOM 0 HE2 TYR C 45 18.313 0.756 5.554 1.00 0.00 H new ATOM 0 HH TYR C 45 19.529 0.532 7.375 1.00 0.00 H new ATOM 673 N GLY C 46 13.275 -1.015 2.223 1.00 0.00 N ATOM 674 CA GLY C 46 12.484 -1.158 1.016 1.00 0.00 C ATOM 675 C GLY C 46 12.447 -2.583 0.486 1.00 0.00 C ATOM 676 O GLY C 46 11.712 -3.427 1.000 1.00 0.00 O ATOM 0 H GLY C 46 14.234 -0.704 2.070 1.00 0.00 H new ATOM 0 HA2 GLY C 46 11.465 -0.826 1.216 1.00 0.00 H new ATOM 0 HA3 GLY C 46 12.888 -0.502 0.245 1.00 0.00 H new ATOM 680 N ILE C 47 13.232 -2.853 -0.548 1.00 0.00 N ATOM 681 CA ILE C 47 13.256 -4.180 -1.153 1.00 0.00 C ATOM 682 C ILE C 47 14.542 -4.892 -0.810 1.00 0.00 C ATOM 683 O ILE C 47 14.557 -5.869 -0.060 1.00 0.00 O ATOM 684 CB ILE C 47 13.204 -4.124 -2.689 1.00 0.00 C ATOM 685 CG1 ILE C 47 12.117 -3.194 -3.192 1.00 0.00 C ATOM 686 CG2 ILE C 47 13.000 -5.520 -3.265 1.00 0.00 C ATOM 687 CD1 ILE C 47 12.310 -2.836 -4.646 1.00 0.00 C ATOM 0 H ILE C 47 13.858 -2.176 -0.984 1.00 0.00 H new ATOM 0 HA ILE C 47 12.380 -4.698 -0.763 1.00 0.00 H new ATOM 0 HB ILE C 47 14.161 -3.727 -3.028 1.00 0.00 H new ATOM 0 HG12 ILE C 47 11.144 -3.668 -3.061 1.00 0.00 H new ATOM 0 HG13 ILE C 47 12.111 -2.284 -2.592 1.00 0.00 H new ATOM 0 HG21 ILE C 47 12.965 -5.463 -4.353 1.00 0.00 H new ATOM 0 HG22 ILE C 47 13.826 -6.163 -2.961 1.00 0.00 H new ATOM 0 HG23 ILE C 47 12.063 -5.934 -2.893 1.00 0.00 H new ATOM 0 HD11 ILE C 47 11.510 -2.169 -4.966 1.00 0.00 H new ATOM 0 HD12 ILE C 47 13.271 -2.338 -4.774 1.00 0.00 H new ATOM 0 HD13 ILE C 47 12.289 -3.743 -5.250 1.00 0.00 H new ATOM 699 N SER C 48 15.623 -4.365 -1.362 1.00 0.00 N ATOM 700 CA SER C 48 16.921 -4.984 -1.258 1.00 0.00 C ATOM 701 C SER C 48 17.982 -4.104 -1.908 1.00 0.00 C ATOM 702 O SER C 48 18.844 -3.543 -1.230 1.00 0.00 O ATOM 703 CB SER C 48 16.897 -6.368 -1.914 1.00 0.00 C ATOM 704 OG SER C 48 16.383 -6.294 -3.238 1.00 0.00 O ATOM 0 H SER C 48 15.618 -3.495 -1.894 1.00 0.00 H new ATOM 0 HA SER C 48 17.171 -5.101 -0.204 1.00 0.00 H new ATOM 0 HB2 SER C 48 17.905 -6.783 -1.934 1.00 0.00 H new ATOM 0 HB3 SER C 48 16.285 -7.046 -1.319 1.00 0.00 H new ATOM 0 HG SER C 48 16.379 -7.189 -3.638 1.00 0.00 H new ATOM 710 N TYR C 49 17.904 -3.984 -3.227 1.00 0.00 N ATOM 711 CA TYR C 49 18.836 -3.153 -3.976 1.00 0.00 C ATOM 712 C TYR C 49 18.179 -2.566 -5.230 1.00 0.00 C ATOM 713 O TYR C 49 18.496 -1.448 -5.633 1.00 0.00 O ATOM 714 CB TYR C 49 20.090 -3.958 -4.355 1.00 0.00 C ATOM 715 CG TYR C 49 21.226 -3.097 -4.893 1.00 0.00 C ATOM 716 CD1 TYR C 49 21.966 -2.275 -4.043 1.00 0.00 C ATOM 717 CD2 TYR C 49 21.565 -3.102 -6.249 1.00 0.00 C ATOM 718 CE1 TYR C 49 22.997 -1.496 -4.521 1.00 0.00 C ATOM 719 CE2 TYR C 49 22.600 -2.320 -6.728 1.00 0.00 C ATOM 720 CZ TYR C 49 23.312 -1.522 -5.860 1.00 0.00 C ATOM 721 OH TYR C 49 24.348 -0.745 -6.331 1.00 0.00 O ATOM 0 H TYR C 49 17.203 -4.453 -3.801 1.00 0.00 H new ATOM 0 HA TYR C 49 19.131 -2.323 -3.334 1.00 0.00 H new ATOM 0 HB2 TYR C 49 20.441 -4.502 -3.478 1.00 0.00 H new ATOM 0 HB3 TYR C 49 19.822 -4.702 -5.105 1.00 0.00 H new ATOM 0 HD1 TYR C 49 21.726 -2.249 -2.990 1.00 0.00 H new ATOM 0 HD2 TYR C 49 21.010 -3.726 -6.933 1.00 0.00 H new ATOM 0 HE1 TYR C 49 23.557 -0.866 -3.846 1.00 0.00 H new ATOM 0 HE2 TYR C 49 22.849 -2.335 -7.779 1.00 0.00 H new ATOM 0 HH TYR C 49 24.443 -0.878 -7.297 1.00 0.00 H new ATOM 731 N GLU C 50 17.254 -3.309 -5.836 1.00 0.00 N ATOM 732 CA GLU C 50 16.607 -2.871 -7.067 1.00 0.00 C ATOM 733 C GLU C 50 15.379 -2.031 -6.758 1.00 0.00 C ATOM 734 O GLU C 50 15.039 -1.820 -5.596 1.00 0.00 O ATOM 735 CB GLU C 50 16.214 -4.085 -7.911 1.00 0.00 C ATOM 736 CG GLU C 50 15.153 -4.960 -7.263 1.00 0.00 C ATOM 737 CD GLU C 50 14.916 -6.248 -8.020 1.00 0.00 C ATOM 738 OE1 GLU C 50 15.394 -7.307 -7.559 1.00 0.00 O ATOM 739 OE2 GLU C 50 14.253 -6.214 -9.076 1.00 0.00 O1- ATOM 0 H GLU C 50 16.938 -4.216 -5.493 1.00 0.00 H new ATOM 0 HA GLU C 50 17.311 -2.258 -7.629 1.00 0.00 H new ATOM 0 HB2 GLU C 50 15.848 -3.741 -8.878 1.00 0.00 H new ATOM 0 HB3 GLU C 50 17.102 -4.687 -8.102 1.00 0.00 H new ATOM 0 HG2 GLU C 50 15.455 -5.194 -6.242 1.00 0.00 H new ATOM 0 HG3 GLU C 50 14.218 -4.403 -7.200 1.00 0.00 H new ATOM 746 N ASP C 51 14.719 -1.558 -7.802 1.00 0.00 N ATOM 747 CA ASP C 51 13.554 -0.702 -7.650 1.00 0.00 C ATOM 748 C ASP C 51 12.344 -1.303 -8.341 1.00 0.00 C ATOM 749 O ASP C 51 12.451 -1.874 -9.424 1.00 0.00 O ATOM 750 CB ASP C 51 13.829 0.693 -8.225 1.00 0.00 C ATOM 751 CG ASP C 51 14.011 0.689 -9.732 1.00 0.00 C ATOM 752 OD1 ASP C 51 15.016 0.121 -10.215 1.00 0.00 O ATOM 753 OD2 ASP C 51 13.158 1.263 -10.440 1.00 0.00 O1- ATOM 0 H ASP C 51 14.972 -1.754 -8.770 1.00 0.00 H new ATOM 0 HA ASP C 51 13.345 -0.616 -6.584 1.00 0.00 H new ATOM 0 HB2 ASP C 51 13.003 1.356 -7.966 1.00 0.00 H new ATOM 0 HB3 ASP C 51 14.725 1.102 -7.758 1.00 0.00 H new ATOM 758 N LYS C 52 11.194 -1.187 -7.698 1.00 0.00 N ATOM 759 CA LYS C 52 9.944 -1.578 -8.309 1.00 0.00 C ATOM 760 C LYS C 52 9.082 -0.353 -8.468 1.00 0.00 C ATOM 761 O LYS C 52 9.253 0.637 -7.755 1.00 0.00 O ATOM 762 CB LYS C 52 9.187 -2.614 -7.478 1.00 0.00 C ATOM 763 CG LYS C 52 10.016 -3.802 -7.044 1.00 0.00 C ATOM 764 CD LYS C 52 10.725 -4.472 -8.210 1.00 0.00 C ATOM 765 CE LYS C 52 9.737 -4.963 -9.260 1.00 0.00 C ATOM 766 NZ LYS C 52 10.406 -5.688 -10.371 1.00 0.00 N1+ ATOM 0 H LYS C 52 11.105 -0.823 -6.749 1.00 0.00 H new ATOM 0 HA LYS C 52 10.171 -2.033 -9.273 1.00 0.00 H new ATOM 0 HB2 LYS C 52 8.785 -2.125 -6.591 1.00 0.00 H new ATOM 0 HB3 LYS C 52 8.336 -2.973 -8.057 1.00 0.00 H new ATOM 0 HG2 LYS C 52 10.755 -3.478 -6.311 1.00 0.00 H new ATOM 0 HG3 LYS C 52 9.373 -4.529 -6.548 1.00 0.00 H new ATOM 0 HD2 LYS C 52 11.421 -3.768 -8.666 1.00 0.00 H new ATOM 0 HD3 LYS C 52 11.315 -5.312 -7.844 1.00 0.00 H new ATOM 0 HE2 LYS C 52 9.006 -5.620 -8.788 1.00 0.00 H new ATOM 0 HE3 LYS C 52 9.187 -4.113 -9.663 1.00 0.00 H new ATOM 0 HZ1 LYS C 52 9.693 -6.002 -11.060 1.00 0.00 H new ATOM 0 HZ2 LYS C 52 11.085 -5.055 -10.840 1.00 0.00 H new ATOM 0 HZ3 LYS C 52 10.909 -6.515 -9.992 1.00 0.00 H new ATOM 780 N ASN C 53 8.161 -0.440 -9.384 1.00 0.00 N ATOM 781 CA ASN C 53 7.284 0.663 -9.715 1.00 0.00 C ATOM 782 C ASN C 53 5.951 0.508 -9.010 1.00 0.00 C ATOM 783 O ASN C 53 5.125 -0.309 -9.398 1.00 0.00 O ATOM 784 CB ASN C 53 7.091 0.697 -11.220 1.00 0.00 C ATOM 785 CG ASN C 53 5.972 1.601 -11.668 1.00 0.00 C ATOM 786 OD1 ASN C 53 5.753 2.689 -11.129 1.00 0.00 O ATOM 787 ND2 ASN C 53 5.239 1.120 -12.650 1.00 0.00 N ATOM 0 H ASN C 53 7.990 -1.284 -9.931 1.00 0.00 H new ATOM 0 HA ASN C 53 7.730 1.601 -9.383 1.00 0.00 H new ATOM 0 HB2 ASN C 53 8.019 1.023 -11.689 1.00 0.00 H new ATOM 0 HB3 ASN C 53 6.893 -0.314 -11.575 1.00 0.00 H new ATOM 0 HD21 ASN C 53 4.444 1.654 -13.002 1.00 0.00 H new ATOM 0 HD22 ASN C 53 5.466 0.214 -13.059 1.00 0.00 H new ATOM 794 N TRP C 54 5.757 1.305 -7.978 1.00 0.00 N ATOM 795 CA TRP C 54 4.608 1.180 -7.104 1.00 0.00 C ATOM 796 C TRP C 54 3.575 2.272 -7.352 1.00 0.00 C ATOM 797 O TRP C 54 3.876 3.269 -8.001 1.00 0.00 O ATOM 798 CB TRP C 54 5.088 1.285 -5.680 1.00 0.00 C ATOM 799 CG TRP C 54 4.739 0.100 -4.874 1.00 0.00 C ATOM 800 CD1 TRP C 54 5.491 -1.005 -4.649 1.00 0.00 C ATOM 801 CD2 TRP C 54 3.524 -0.085 -4.197 1.00 0.00 C ATOM 802 NE1 TRP C 54 4.798 -1.878 -3.842 1.00 0.00 N ATOM 803 CE2 TRP C 54 3.576 -1.323 -3.551 1.00 0.00 C ATOM 804 CE3 TRP C 54 2.398 0.702 -4.077 1.00 0.00 C ATOM 805 CZ2 TRP C 54 2.513 -1.791 -2.785 1.00 0.00 C ATOM 806 CZ3 TRP C 54 1.358 0.249 -3.332 1.00 0.00 C ATOM 807 CH2 TRP C 54 1.416 -0.993 -2.687 1.00 0.00 C ATOM 0 H TRP C 54 6.394 2.060 -7.721 1.00 0.00 H new ATOM 0 HA TRP C 54 4.131 0.220 -7.301 1.00 0.00 H new ATOM 0 HB2 TRP C 54 6.170 1.418 -5.674 1.00 0.00 H new ATOM 0 HB3 TRP C 54 4.655 2.173 -5.219 1.00 0.00 H new ATOM 0 HD1 TRP C 54 6.482 -1.174 -5.043 1.00 0.00 H new ATOM 0 HE1 TRP C 54 5.135 -2.784 -3.515 1.00 0.00 H new ATOM 0 HE3 TRP C 54 2.345 1.663 -4.568 1.00 0.00 H new ATOM 0 HZ2 TRP C 54 2.557 -2.749 -2.288 1.00 0.00 H new ATOM 0 HZ3 TRP C 54 0.470 0.857 -3.235 1.00 0.00 H new ATOM 0 HH2 TRP C 54 0.572 -1.324 -2.100 1.00 0.00 H new ATOM 818 N GLY C 55 2.361 2.098 -6.818 1.00 0.00 N ATOM 819 CA GLY C 55 1.371 3.139 -6.945 1.00 0.00 C ATOM 820 C GLY C 55 0.074 2.897 -6.193 1.00 0.00 C ATOM 821 O GLY C 55 -0.260 1.769 -5.838 1.00 0.00 O ATOM 0 H GLY C 55 2.059 1.267 -6.310 1.00 0.00 H new ATOM 0 HA2 GLY C 55 1.805 4.075 -6.595 1.00 0.00 H new ATOM 0 HA3 GLY C 55 1.140 3.271 -8.002 1.00 0.00 H new ATOM 825 N ILE C 56 -0.652 3.983 -5.943 1.00 0.00 N ATOM 826 CA ILE C 56 -1.980 3.905 -5.335 1.00 0.00 C ATOM 827 C ILE C 56 -3.032 4.531 -6.249 1.00 0.00 C ATOM 828 O ILE C 56 -2.876 5.673 -6.692 1.00 0.00 O ATOM 829 CB ILE C 56 -2.061 4.629 -3.966 1.00 0.00 C ATOM 830 CG1 ILE C 56 -1.084 4.051 -2.948 1.00 0.00 C ATOM 831 CG2 ILE C 56 -3.475 4.528 -3.409 1.00 0.00 C ATOM 832 CD1 ILE C 56 0.372 4.398 -3.179 1.00 0.00 C ATOM 0 H ILE C 56 -0.343 4.932 -6.153 1.00 0.00 H new ATOM 0 HA ILE C 56 -2.171 2.842 -5.185 1.00 0.00 H new ATOM 0 HB ILE C 56 -1.792 5.671 -4.138 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -1.370 4.399 -1.956 1.00 0.00 H new ATOM 0 HG13 ILE C 56 -1.186 2.966 -2.947 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -3.525 5.039 -2.447 1.00 0.00 H new ATOM 0 HG22 ILE C 56 -4.174 4.994 -4.104 1.00 0.00 H new ATOM 0 HG23 ILE C 56 -3.740 3.479 -3.277 1.00 0.00 H new ATOM 0 HD11 ILE C 56 0.983 3.939 -2.402 1.00 0.00 H new ATOM 0 HD12 ILE C 56 0.685 4.025 -4.154 1.00 0.00 H new ATOM 0 HD13 ILE C 56 0.497 5.480 -3.148 1.00 0.00 H new ATOM 844 N PHE C 57 -4.105 3.792 -6.516 1.00 0.00 N ATOM 845 CA PHE C 57 -5.217 4.314 -7.301 1.00 0.00 C ATOM 846 C PHE C 57 -6.524 4.198 -6.520 1.00 0.00 C ATOM 847 O PHE C 57 -6.910 3.112 -6.095 1.00 0.00 O ATOM 848 CB PHE C 57 -5.363 3.573 -8.637 1.00 0.00 C ATOM 849 CG PHE C 57 -4.079 3.413 -9.398 1.00 0.00 C ATOM 850 CD1 PHE C 57 -3.674 4.373 -10.309 1.00 0.00 C ATOM 851 CD2 PHE C 57 -3.282 2.296 -9.205 1.00 0.00 C ATOM 852 CE1 PHE C 57 -2.497 4.222 -11.014 1.00 0.00 C ATOM 853 CE2 PHE C 57 -2.104 2.141 -9.906 1.00 0.00 C ATOM 854 CZ PHE C 57 -1.711 3.105 -10.811 1.00 0.00 C ATOM 0 H PHE C 57 -4.227 2.830 -6.200 1.00 0.00 H new ATOM 0 HA PHE C 57 -5.002 5.363 -7.506 1.00 0.00 H new ATOM 0 HB2 PHE C 57 -5.785 2.586 -8.447 1.00 0.00 H new ATOM 0 HB3 PHE C 57 -6.077 4.110 -9.261 1.00 0.00 H new ATOM 0 HD1 PHE C 57 -4.285 5.249 -10.470 1.00 0.00 H new ATOM 0 HD2 PHE C 57 -3.586 1.538 -8.498 1.00 0.00 H new ATOM 0 HE1 PHE C 57 -2.191 4.977 -11.724 1.00 0.00 H new ATOM 0 HE2 PHE C 57 -1.491 1.267 -9.747 1.00 0.00 H new ATOM 0 HZ PHE C 57 -0.789 2.986 -11.361 1.00 0.00 H new ATOM 864 N VAL C 58 -7.189 5.324 -6.319 1.00 0.00 N ATOM 865 CA VAL C 58 -8.506 5.340 -5.695 1.00 0.00 C ATOM 866 C VAL C 58 -9.558 5.609 -6.756 1.00 0.00 C ATOM 867 O VAL C 58 -9.606 6.705 -7.311 1.00 0.00 O ATOM 868 CB VAL C 58 -8.612 6.418 -4.599 1.00 0.00 C ATOM 869 CG1 VAL C 58 -9.973 6.371 -3.919 1.00 0.00 C ATOM 870 CG2 VAL C 58 -7.500 6.249 -3.582 1.00 0.00 C ATOM 0 H VAL C 58 -6.837 6.245 -6.580 1.00 0.00 H new ATOM 0 HA VAL C 58 -8.665 4.368 -5.228 1.00 0.00 H new ATOM 0 HB VAL C 58 -8.505 7.395 -5.070 1.00 0.00 H new ATOM 0 HG11 VAL C 58 -10.022 7.142 -3.150 1.00 0.00 H new ATOM 0 HG12 VAL C 58 -10.755 6.545 -4.658 1.00 0.00 H new ATOM 0 HG13 VAL C 58 -10.118 5.392 -3.462 1.00 0.00 H new ATOM 0 HG21 VAL C 58 -7.589 7.018 -2.815 1.00 0.00 H new ATOM 0 HG22 VAL C 58 -7.576 5.265 -3.120 1.00 0.00 H new ATOM 0 HG23 VAL C 58 -6.535 6.343 -4.079 1.00 0.00 H new ATOM 880 N ASN C 59 -10.377 4.604 -7.053 1.00 0.00 N ATOM 881 CA ASN C 59 -11.354 4.689 -8.142 1.00 0.00 C ATOM 882 C ASN C 59 -10.639 4.930 -9.469 1.00 0.00 C ATOM 883 O ASN C 59 -11.218 5.470 -10.416 1.00 0.00 O ATOM 884 CB ASN C 59 -12.375 5.812 -7.903 1.00 0.00 C ATOM 885 CG ASN C 59 -13.094 5.705 -6.573 1.00 0.00 C ATOM 886 OD1 ASN C 59 -13.272 4.619 -6.026 1.00 0.00 O ATOM 887 ND2 ASN C 59 -13.516 6.842 -6.046 1.00 0.00 N ATOM 0 H ASN C 59 -10.385 3.715 -6.553 1.00 0.00 H new ATOM 0 HA ASN C 59 -11.891 3.741 -8.175 1.00 0.00 H new ATOM 0 HB2 ASN C 59 -11.864 6.773 -7.954 1.00 0.00 H new ATOM 0 HB3 ASN C 59 -13.111 5.799 -8.707 1.00 0.00 H new ATOM 0 HD21 ASN C 59 -14.009 6.838 -5.153 1.00 0.00 H new ATOM 0 HD22 ASN C 59 -13.348 7.723 -6.532 1.00 0.00 H new ATOM 894 N GLY C 60 -9.377 4.521 -9.531 1.00 0.00 N ATOM 895 CA GLY C 60 -8.574 4.754 -10.713 1.00 0.00 C ATOM 896 C GLY C 60 -7.858 6.096 -10.686 1.00 0.00 C ATOM 897 O GLY C 60 -7.392 6.573 -11.718 1.00 0.00 O ATOM 0 H GLY C 60 -8.895 4.030 -8.778 1.00 0.00 H new ATOM 0 HA2 GLY C 60 -7.837 3.956 -10.809 1.00 0.00 H new ATOM 0 HA3 GLY C 60 -9.212 4.706 -11.595 1.00 0.00 H new ATOM 901 N GLU C 61 -7.764 6.703 -9.509 1.00 0.00 N ATOM 902 CA GLU C 61 -7.070 7.980 -9.360 1.00 0.00 C ATOM 903 C GLU C 61 -5.737 7.806 -8.652 1.00 0.00 C ATOM 904 O GLU C 61 -5.669 7.226 -7.570 1.00 0.00 O ATOM 905 CB GLU C 61 -7.908 8.972 -8.560 1.00 0.00 C ATOM 906 CG GLU C 61 -8.491 10.097 -9.388 1.00 0.00 C ATOM 907 CD GLU C 61 -9.673 9.660 -10.225 1.00 0.00 C ATOM 908 OE1 GLU C 61 -10.787 9.542 -9.673 1.00 0.00 O ATOM 909 OE2 GLU C 61 -9.503 9.456 -11.444 1.00 0.00 O1- ATOM 0 H GLU C 61 -8.158 6.334 -8.644 1.00 0.00 H new ATOM 0 HA GLU C 61 -6.903 8.363 -10.367 1.00 0.00 H new ATOM 0 HB2 GLU C 61 -8.722 8.434 -8.073 1.00 0.00 H new ATOM 0 HB3 GLU C 61 -7.290 9.399 -7.770 1.00 0.00 H new ATOM 0 HG2 GLU C 61 -8.800 10.906 -8.726 1.00 0.00 H new ATOM 0 HG3 GLU C 61 -7.717 10.498 -10.042 1.00 0.00 H new ATOM 916 N LYS C 62 -4.684 8.328 -9.259 1.00 0.00 N ATOM 917 CA LYS C 62 -3.362 8.305 -8.656 1.00 0.00 C ATOM 918 C LYS C 62 -3.286 9.281 -7.493 1.00 0.00 C ATOM 919 O LYS C 62 -3.263 10.496 -7.696 1.00 0.00 O ATOM 920 CB LYS C 62 -2.295 8.682 -9.680 1.00 0.00 C ATOM 921 CG LYS C 62 -2.094 7.656 -10.781 1.00 0.00 C ATOM 922 CD LYS C 62 -0.810 7.918 -11.557 1.00 0.00 C ATOM 923 CE LYS C 62 -0.838 9.253 -12.284 1.00 0.00 C ATOM 924 NZ LYS C 62 -1.852 9.278 -13.369 1.00 0.00 N1+ ATOM 0 H LYS C 62 -4.720 8.776 -10.175 1.00 0.00 H new ATOM 0 HA LYS C 62 -3.182 7.292 -8.297 1.00 0.00 H new ATOM 0 HB2 LYS C 62 -2.564 9.636 -10.133 1.00 0.00 H new ATOM 0 HB3 LYS C 62 -1.348 8.832 -9.162 1.00 0.00 H new ATOM 0 HG2 LYS C 62 -2.061 6.656 -10.347 1.00 0.00 H new ATOM 0 HG3 LYS C 62 -2.944 7.680 -11.463 1.00 0.00 H new ATOM 0 HD2 LYS C 62 0.037 7.898 -10.871 1.00 0.00 H new ATOM 0 HD3 LYS C 62 -0.655 7.117 -12.279 1.00 0.00 H new ATOM 0 HE2 LYS C 62 -1.051 10.049 -11.571 1.00 0.00 H new ATOM 0 HE3 LYS C 62 0.147 9.457 -12.704 1.00 0.00 H new ATOM 0 HZ1 LYS C 62 -1.756 10.159 -13.913 1.00 0.00 H new ATOM 0 HZ2 LYS C 62 -1.706 8.464 -14.000 1.00 0.00 H new ATOM 0 HZ3 LYS C 62 -2.805 9.228 -12.955 1.00 0.00 H new ATOM 938 N VAL C 63 -3.254 8.765 -6.278 1.00 0.00 N ATOM 939 CA VAL C 63 -3.100 9.626 -5.116 1.00 0.00 C ATOM 940 C VAL C 63 -1.635 9.700 -4.701 1.00 0.00 C ATOM 941 O VAL C 63 -1.177 10.723 -4.197 1.00 0.00 O ATOM 942 CB VAL C 63 -3.973 9.181 -3.922 1.00 0.00 C ATOM 943 CG1 VAL C 63 -5.436 9.114 -4.327 1.00 0.00 C ATOM 944 CG2 VAL C 63 -3.511 7.850 -3.367 1.00 0.00 C ATOM 0 H VAL C 63 -3.331 7.770 -6.070 1.00 0.00 H new ATOM 0 HA VAL C 63 -3.446 10.617 -5.410 1.00 0.00 H new ATOM 0 HB VAL C 63 -3.865 9.925 -3.133 1.00 0.00 H new ATOM 0 HG11 VAL C 63 -6.036 8.799 -3.473 1.00 0.00 H new ATOM 0 HG12 VAL C 63 -5.767 10.098 -4.660 1.00 0.00 H new ATOM 0 HG13 VAL C 63 -5.556 8.397 -5.139 1.00 0.00 H new ATOM 0 HG21 VAL C 63 -4.146 7.565 -2.528 1.00 0.00 H new ATOM 0 HG22 VAL C 63 -3.575 7.089 -4.145 1.00 0.00 H new ATOM 0 HG23 VAL C 63 -2.479 7.936 -3.028 1.00 0.00 H new ATOM 954 N TYR C 64 -0.897 8.618 -4.928 1.00 0.00 N ATOM 955 CA TYR C 64 0.527 8.594 -4.635 1.00 0.00 C ATOM 956 C TYR C 64 1.210 7.482 -5.432 1.00 0.00 C ATOM 957 O TYR C 64 0.600 6.452 -5.717 1.00 0.00 O ATOM 958 CB TYR C 64 0.747 8.400 -3.130 1.00 0.00 C ATOM 959 CG TYR C 64 2.174 8.621 -2.678 1.00 0.00 C ATOM 960 CD1 TYR C 64 3.024 7.550 -2.447 1.00 0.00 C ATOM 961 CD2 TYR C 64 2.669 9.904 -2.478 1.00 0.00 C ATOM 962 CE1 TYR C 64 4.325 7.747 -2.031 1.00 0.00 C ATOM 963 CE2 TYR C 64 3.972 10.110 -2.064 1.00 0.00 C ATOM 964 CZ TYR C 64 4.795 9.028 -1.840 1.00 0.00 C ATOM 965 OH TYR C 64 6.092 9.227 -1.424 1.00 0.00 O ATOM 0 H TYR C 64 -1.264 7.748 -5.314 1.00 0.00 H new ATOM 0 HA TYR C 64 0.969 9.546 -4.929 1.00 0.00 H new ATOM 0 HB2 TYR C 64 0.096 9.085 -2.588 1.00 0.00 H new ATOM 0 HB3 TYR C 64 0.444 7.389 -2.857 1.00 0.00 H new ATOM 0 HD1 TYR C 64 2.661 6.544 -2.595 1.00 0.00 H new ATOM 0 HD2 TYR C 64 2.025 10.754 -2.649 1.00 0.00 H new ATOM 0 HE1 TYR C 64 4.972 6.900 -1.856 1.00 0.00 H new ATOM 0 HE2 TYR C 64 4.343 11.114 -1.917 1.00 0.00 H new ATOM 0 HH TYR C 64 6.264 10.188 -1.339 1.00 0.00 H new ATOM 975 N THR C 65 2.462 7.710 -5.804 1.00 0.00 N ATOM 976 CA THR C 65 3.243 6.742 -6.568 1.00 0.00 C ATOM 977 C THR C 65 4.686 6.735 -6.047 1.00 0.00 C ATOM 978 O THR C 65 5.176 7.775 -5.604 1.00 0.00 O ATOM 979 CB THR C 65 3.230 7.116 -8.069 1.00 0.00 C ATOM 980 OG1 THR C 65 1.876 7.191 -8.536 1.00 0.00 O ATOM 981 CG2 THR C 65 4.007 6.114 -8.909 1.00 0.00 C ATOM 0 H THR C 65 2.966 8.570 -5.586 1.00 0.00 H new ATOM 0 HA THR C 65 2.806 5.751 -6.450 1.00 0.00 H new ATOM 0 HB THR C 65 3.716 8.086 -8.175 1.00 0.00 H new ATOM 0 HG1 THR C 65 1.871 7.430 -9.486 1.00 0.00 H new ATOM 0 HG21 THR C 65 3.973 6.413 -9.956 1.00 0.00 H new ATOM 0 HG22 THR C 65 5.044 6.084 -8.574 1.00 0.00 H new ATOM 0 HG23 THR C 65 3.562 5.125 -8.800 1.00 0.00 H new ATOM 989 N PHE C 66 5.373 5.587 -6.087 1.00 0.00 N ATOM 990 CA PHE C 66 6.728 5.513 -5.536 1.00 0.00 C ATOM 991 C PHE C 66 7.461 4.249 -5.980 1.00 0.00 C ATOM 992 O PHE C 66 6.973 3.492 -6.816 1.00 0.00 O ATOM 993 CB PHE C 66 6.681 5.576 -4.001 1.00 0.00 C ATOM 994 CG PHE C 66 6.005 4.400 -3.340 1.00 0.00 C ATOM 995 CD1 PHE C 66 6.756 3.353 -2.829 1.00 0.00 C ATOM 996 CD2 PHE C 66 4.626 4.349 -3.220 1.00 0.00 C ATOM 997 CE1 PHE C 66 6.147 2.278 -2.213 1.00 0.00 C ATOM 998 CE2 PHE C 66 4.010 3.276 -2.606 1.00 0.00 C ATOM 999 CZ PHE C 66 4.772 2.240 -2.101 1.00 0.00 C ATOM 0 H PHE C 66 5.022 4.716 -6.486 1.00 0.00 H new ATOM 0 HA PHE C 66 7.281 6.369 -5.922 1.00 0.00 H new ATOM 0 HB2 PHE C 66 7.701 5.651 -3.623 1.00 0.00 H new ATOM 0 HB3 PHE C 66 6.164 6.488 -3.704 1.00 0.00 H new ATOM 0 HD1 PHE C 66 7.832 3.379 -2.914 1.00 0.00 H new ATOM 0 HD2 PHE C 66 4.026 5.157 -3.611 1.00 0.00 H new ATOM 0 HE1 PHE C 66 6.745 1.469 -1.820 1.00 0.00 H new ATOM 0 HE2 PHE C 66 2.934 3.247 -2.521 1.00 0.00 H new ATOM 0 HZ PHE C 66 4.292 1.401 -1.619 1.00 0.00 H new ATOM 1009 N ASN C 67 8.647 4.049 -5.417 1.00 0.00 N ATOM 1010 CA ASN C 67 9.449 2.858 -5.671 1.00 0.00 C ATOM 1011 C ASN C 67 9.572 2.040 -4.393 1.00 0.00 C ATOM 1012 O ASN C 67 9.761 2.595 -3.315 1.00 0.00 O ATOM 1013 CB ASN C 67 10.844 3.247 -6.166 1.00 0.00 C ATOM 1014 CG ASN C 67 10.833 3.825 -7.567 1.00 0.00 C ATOM 1015 OD1 ASN C 67 10.764 5.040 -7.747 1.00 0.00 O ATOM 1016 ND2 ASN C 67 10.886 2.961 -8.570 1.00 0.00 N ATOM 0 H ASN C 67 9.080 4.709 -4.771 1.00 0.00 H new ATOM 0 HA ASN C 67 8.956 2.263 -6.440 1.00 0.00 H new ATOM 0 HB2 ASN C 67 11.277 3.976 -5.481 1.00 0.00 H new ATOM 0 HB3 ASN C 67 11.489 2.369 -6.146 1.00 0.00 H new ATOM 0 HD21 ASN C 67 10.870 3.296 -9.533 1.00 0.00 H new ATOM 0 HD22 ASN C 67 10.943 1.961 -8.379 1.00 0.00 H new ATOM 1023 N GLU C 68 9.483 0.718 -4.520 1.00 0.00 N ATOM 1024 CA GLU C 68 9.425 -0.170 -3.370 1.00 0.00 C ATOM 1025 C GLU C 68 10.736 -0.197 -2.592 1.00 0.00 C ATOM 1026 O GLU C 68 10.775 -0.659 -1.457 1.00 0.00 O ATOM 1027 CB GLU C 68 9.064 -1.577 -3.842 1.00 0.00 C ATOM 1028 CG GLU C 68 8.625 -2.505 -2.739 1.00 0.00 C ATOM 1029 CD GLU C 68 7.982 -3.777 -3.259 1.00 0.00 C ATOM 1030 OE1 GLU C 68 7.493 -4.587 -2.439 1.00 0.00 O ATOM 1031 OE2 GLU C 68 7.952 -3.974 -4.487 1.00 0.00 O1- ATOM 0 H GLU C 68 9.449 0.238 -5.419 1.00 0.00 H new ATOM 0 HA GLU C 68 8.661 0.208 -2.691 1.00 0.00 H new ATOM 0 HB2 GLU C 68 8.266 -1.507 -4.581 1.00 0.00 H new ATOM 0 HB3 GLU C 68 9.927 -2.012 -4.345 1.00 0.00 H new ATOM 0 HG2 GLU C 68 9.487 -2.765 -2.125 1.00 0.00 H new ATOM 0 HG3 GLU C 68 7.918 -1.984 -2.093 1.00 0.00 H new ATOM 1038 N LYS C 69 11.811 0.291 -3.201 1.00 0.00 N ATOM 1039 CA LYS C 69 13.105 0.304 -2.533 1.00 0.00 C ATOM 1040 C LYS C 69 13.227 1.522 -1.639 1.00 0.00 C ATOM 1041 O LYS C 69 14.215 1.679 -0.924 1.00 0.00 O ATOM 1042 CB LYS C 69 14.251 0.286 -3.536 1.00 0.00 C ATOM 1043 CG LYS C 69 14.333 1.535 -4.386 1.00 0.00 C ATOM 1044 CD LYS C 69 15.460 1.433 -5.407 1.00 0.00 C ATOM 1045 CE LYS C 69 16.831 1.529 -4.751 1.00 0.00 C ATOM 1046 NZ LYS C 69 17.025 2.827 -4.046 1.00 0.00 N1+ ATOM 0 H LYS C 69 11.812 0.678 -4.145 1.00 0.00 H new ATOM 0 HA LYS C 69 13.169 -0.598 -1.925 1.00 0.00 H new ATOM 0 HB2 LYS C 69 15.191 0.160 -2.999 1.00 0.00 H new ATOM 0 HB3 LYS C 69 14.138 -0.580 -4.188 1.00 0.00 H new ATOM 0 HG2 LYS C 69 13.385 1.691 -4.901 1.00 0.00 H new ATOM 0 HG3 LYS C 69 14.495 2.403 -3.747 1.00 0.00 H new ATOM 0 HD2 LYS C 69 15.380 0.487 -5.943 1.00 0.00 H new ATOM 0 HD3 LYS C 69 15.354 2.228 -6.145 1.00 0.00 H new ATOM 0 HE2 LYS C 69 16.951 0.710 -4.042 1.00 0.00 H new ATOM 0 HE3 LYS C 69 17.605 1.410 -5.510 1.00 0.00 H new ATOM 0 HZ1 LYS C 69 18.041 2.992 -3.896 1.00 0.00 H new ATOM 0 HZ2 LYS C 69 16.630 3.597 -4.622 1.00 0.00 H new ATOM 0 HZ3 LYS C 69 16.540 2.799 -3.127 1.00 0.00 H new ATOM 1060 N SER C 70 12.235 2.395 -1.698 1.00 0.00 N ATOM 1061 CA SER C 70 12.178 3.507 -0.783 1.00 0.00 C ATOM 1062 C SER C 70 11.848 2.959 0.602 1.00 0.00 C ATOM 1063 O SER C 70 11.328 1.847 0.711 1.00 0.00 O ATOM 1064 CB SER C 70 11.120 4.514 -1.234 1.00 0.00 C ATOM 1065 OG SER C 70 11.409 4.999 -2.536 1.00 0.00 O ATOM 0 H SER C 70 11.466 2.350 -2.367 1.00 0.00 H new ATOM 0 HA SER C 70 13.136 4.027 -0.759 1.00 0.00 H new ATOM 0 HB2 SER C 70 10.137 4.043 -1.226 1.00 0.00 H new ATOM 0 HB3 SER C 70 11.081 5.346 -0.531 1.00 0.00 H new ATOM 0 HG SER C 70 10.968 4.431 -3.202 1.00 0.00 H new ATOM 1071 N THR C 71 12.133 3.705 1.658 1.00 0.00 N ATOM 1072 CA THR C 71 11.894 3.194 2.978 1.00 0.00 C ATOM 1073 C THR C 71 10.408 3.219 3.239 1.00 0.00 C ATOM 1074 O THR C 71 9.794 4.290 3.328 1.00 0.00 O ATOM 1075 CB THR C 71 12.650 3.996 4.050 1.00 0.00 C ATOM 1076 OG1 THR C 71 12.521 5.399 3.791 1.00 0.00 O ATOM 1077 CG2 THR C 71 14.122 3.613 4.077 1.00 0.00 C ATOM 0 H THR C 71 12.522 4.647 1.619 1.00 0.00 H new ATOM 0 HA THR C 71 12.267 2.172 3.034 1.00 0.00 H new ATOM 0 HB THR C 71 12.214 3.763 5.022 1.00 0.00 H new ATOM 0 HG1 THR C 71 13.317 5.867 4.119 1.00 0.00 H new ATOM 0 HG21 THR C 71 14.635 4.194 4.843 1.00 0.00 H new ATOM 0 HG22 THR C 71 14.218 2.551 4.302 1.00 0.00 H new ATOM 0 HG23 THR C 71 14.570 3.819 3.105 1.00 0.00 H new ATOM 1085 N VAL C 72 9.834 2.032 3.338 1.00 0.00 N ATOM 1086 CA VAL C 72 8.395 1.866 3.390 1.00 0.00 C ATOM 1087 C VAL C 72 7.782 2.622 4.564 1.00 0.00 C ATOM 1088 O VAL C 72 6.581 2.845 4.597 1.00 0.00 O ATOM 1089 CB VAL C 72 7.993 0.375 3.473 1.00 0.00 C ATOM 1090 CG1 VAL C 72 6.557 0.193 3.033 1.00 0.00 C ATOM 1091 CG2 VAL C 72 8.915 -0.487 2.624 1.00 0.00 C ATOM 0 H VAL C 72 10.355 1.156 3.385 1.00 0.00 H new ATOM 0 HA VAL C 72 8.005 2.283 2.462 1.00 0.00 H new ATOM 0 HB VAL C 72 8.089 0.056 4.511 1.00 0.00 H new ATOM 0 HG11 VAL C 72 6.288 -0.861 3.097 1.00 0.00 H new ATOM 0 HG12 VAL C 72 5.901 0.775 3.681 1.00 0.00 H new ATOM 0 HG13 VAL C 72 6.446 0.534 2.004 1.00 0.00 H new ATOM 0 HG21 VAL C 72 8.610 -1.531 2.700 1.00 0.00 H new ATOM 0 HG22 VAL C 72 8.856 -0.167 1.584 1.00 0.00 H new ATOM 0 HG23 VAL C 72 9.940 -0.382 2.979 1.00 0.00 H new ATOM 1101 N GLY C 73 8.612 3.051 5.501 1.00 0.00 N ATOM 1102 CA GLY C 73 8.100 3.754 6.663 1.00 0.00 C ATOM 1103 C GLY C 73 7.824 5.203 6.371 1.00 0.00 C ATOM 1104 O GLY C 73 6.817 5.749 6.823 1.00 0.00 O ATOM 0 H GLY C 73 9.624 2.928 5.481 1.00 0.00 H new ATOM 0 HA2 GLY C 73 7.183 3.272 7.003 1.00 0.00 H new ATOM 0 HA3 GLY C 73 8.820 3.680 7.478 1.00 0.00 H new ATOM 1108 N ASN C 74 8.691 5.831 5.589 1.00 0.00 N ATOM 1109 CA ASN C 74 8.450 7.205 5.187 1.00 0.00 C ATOM 1110 C ASN C 74 7.329 7.221 4.170 1.00 0.00 C ATOM 1111 O ASN C 74 6.502 8.129 4.143 1.00 0.00 O ATOM 1112 CB ASN C 74 9.708 7.854 4.606 1.00 0.00 C ATOM 1113 CG ASN C 74 10.788 8.059 5.648 1.00 0.00 C ATOM 1114 OD1 ASN C 74 10.787 9.053 6.375 1.00 0.00 O ATOM 1115 ND2 ASN C 74 11.732 7.139 5.714 1.00 0.00 N ATOM 0 H ASN C 74 9.551 5.419 5.227 1.00 0.00 H new ATOM 0 HA ASN C 74 8.169 7.786 6.066 1.00 0.00 H new ATOM 0 HB2 ASN C 74 10.097 7.229 3.802 1.00 0.00 H new ATOM 0 HB3 ASN C 74 9.446 8.816 4.164 1.00 0.00 H new ATOM 0 HD21 ASN C 74 12.495 7.238 6.384 1.00 0.00 H new ATOM 0 HD22 ASN C 74 11.699 6.329 5.095 1.00 0.00 H new ATOM 1122 N ILE C 75 7.292 6.181 3.356 1.00 0.00 N ATOM 1123 CA ILE C 75 6.274 6.051 2.334 1.00 0.00 C ATOM 1124 C ILE C 75 4.899 5.806 2.946 1.00 0.00 C ATOM 1125 O ILE C 75 3.977 6.600 2.754 1.00 0.00 O ATOM 1126 CB ILE C 75 6.596 4.897 1.366 1.00 0.00 C ATOM 1127 CG1 ILE C 75 7.957 5.108 0.695 1.00 0.00 C ATOM 1128 CG2 ILE C 75 5.497 4.766 0.330 1.00 0.00 C ATOM 1129 CD1 ILE C 75 8.066 6.400 -0.086 1.00 0.00 C ATOM 0 H ILE C 75 7.960 5.411 3.385 1.00 0.00 H new ATOM 0 HA ILE C 75 6.262 6.992 1.785 1.00 0.00 H new ATOM 0 HB ILE C 75 6.649 3.970 1.937 1.00 0.00 H new ATOM 0 HG12 ILE C 75 8.734 5.091 1.460 1.00 0.00 H new ATOM 0 HG13 ILE C 75 8.153 4.272 0.023 1.00 0.00 H new ATOM 0 HG21 ILE C 75 5.734 3.948 -0.350 1.00 0.00 H new ATOM 0 HG22 ILE C 75 4.550 4.561 0.829 1.00 0.00 H new ATOM 0 HG23 ILE C 75 5.417 5.695 -0.235 1.00 0.00 H new ATOM 0 HD11 ILE C 75 9.059 6.474 -0.530 1.00 0.00 H new ATOM 0 HD12 ILE C 75 7.314 6.413 -0.875 1.00 0.00 H new ATOM 0 HD13 ILE C 75 7.904 7.245 0.584 1.00 0.00 H new ATOM 1141 N SER C 76 4.777 4.716 3.696 1.00 0.00 N ATOM 1142 CA SER C 76 3.482 4.263 4.182 1.00 0.00 C ATOM 1143 C SER C 76 2.788 5.313 5.012 1.00 0.00 C ATOM 1144 O SER C 76 1.690 5.742 4.686 1.00 0.00 O ATOM 1145 CB SER C 76 3.615 2.969 4.989 1.00 0.00 C ATOM 1146 OG SER C 76 4.510 3.123 6.082 1.00 0.00 O ATOM 0 H SER C 76 5.562 4.130 3.980 1.00 0.00 H new ATOM 0 HA SER C 76 2.870 4.071 3.301 1.00 0.00 H new ATOM 0 HB2 SER C 76 2.635 2.669 5.360 1.00 0.00 H new ATOM 0 HB3 SER C 76 3.968 2.169 4.339 1.00 0.00 H new ATOM 0 HG SER C 76 5.411 3.307 5.744 1.00 0.00 H new ATOM 1152 N ASN C 77 3.431 5.734 6.074 1.00 0.00 N ATOM 1153 CA ASN C 77 2.778 6.616 7.030 1.00 0.00 C ATOM 1154 C ASN C 77 2.489 8.008 6.474 1.00 0.00 C ATOM 1155 O ASN C 77 1.664 8.717 7.034 1.00 0.00 O ATOM 1156 CB ASN C 77 3.528 6.669 8.359 1.00 0.00 C ATOM 1157 CG ASN C 77 2.973 5.655 9.354 1.00 0.00 C ATOM 1158 OD1 ASN C 77 3.725 5.034 10.103 1.00 0.00 O ATOM 1159 ND2 ASN C 77 1.645 5.501 9.392 1.00 0.00 N ATOM 0 H ASN C 77 4.394 5.488 6.303 1.00 0.00 H new ATOM 0 HA ASN C 77 1.802 6.173 7.226 1.00 0.00 H new ATOM 0 HB2 ASN C 77 4.586 6.472 8.189 1.00 0.00 H new ATOM 0 HB3 ASN C 77 3.454 7.672 8.780 1.00 0.00 H new ATOM 0 HD21 ASN C 77 1.226 4.852 10.058 1.00 0.00 H new ATOM 0 HD22 ASN C 77 1.051 6.033 8.755 1.00 0.00 H new ATOM 1166 N ASP C 78 3.131 8.402 5.372 1.00 0.00 N ATOM 1167 CA ASP C 78 2.689 9.601 4.654 1.00 0.00 C ATOM 1168 C ASP C 78 1.326 9.335 4.056 1.00 0.00 C ATOM 1169 O ASP C 78 0.401 10.128 4.214 1.00 0.00 O ATOM 1170 CB ASP C 78 3.645 10.003 3.537 1.00 0.00 C ATOM 1171 CG ASP C 78 4.558 11.150 3.927 1.00 0.00 C ATOM 1172 OD1 ASP C 78 4.347 12.275 3.429 1.00 0.00 O ATOM 1173 OD2 ASP C 78 5.489 10.938 4.730 1.00 0.00 O1- ATOM 0 H ASP C 78 3.936 7.925 4.966 1.00 0.00 H new ATOM 0 HA ASP C 78 2.658 10.421 5.371 1.00 0.00 H new ATOM 0 HB2 ASP C 78 4.251 9.142 3.257 1.00 0.00 H new ATOM 0 HB3 ASP C 78 3.068 10.287 2.657 1.00 0.00 H new ATOM 1178 N ILE C 79 1.217 8.187 3.390 1.00 0.00 N ATOM 1179 CA ILE C 79 -0.049 7.712 2.848 1.00 0.00 C ATOM 1180 C ILE C 79 -1.081 7.606 3.960 1.00 0.00 C ATOM 1181 O ILE C 79 -2.275 7.826 3.757 1.00 0.00 O ATOM 1182 CB ILE C 79 0.097 6.318 2.194 1.00 0.00 C ATOM 1183 CG1 ILE C 79 1.109 6.349 1.049 1.00 0.00 C ATOM 1184 CG2 ILE C 79 -1.251 5.816 1.697 1.00 0.00 C ATOM 1185 CD1 ILE C 79 1.350 4.985 0.435 1.00 0.00 C ATOM 0 H ILE C 79 2.004 7.563 3.213 1.00 0.00 H new ATOM 0 HA ILE C 79 -0.366 8.429 2.091 1.00 0.00 H new ATOM 0 HB ILE C 79 0.467 5.629 2.954 1.00 0.00 H new ATOM 0 HG12 ILE C 79 0.755 7.032 0.277 1.00 0.00 H new ATOM 0 HG13 ILE C 79 2.054 6.748 1.417 1.00 0.00 H new ATOM 0 HG21 ILE C 79 -1.128 4.834 1.240 1.00 0.00 H new ATOM 0 HG22 ILE C 79 -1.943 5.742 2.536 1.00 0.00 H new ATOM 0 HG23 ILE C 79 -1.649 6.512 0.959 1.00 0.00 H new ATOM 0 HD11 ILE C 79 2.078 5.073 -0.372 1.00 0.00 H new ATOM 0 HD12 ILE C 79 1.733 4.306 1.197 1.00 0.00 H new ATOM 0 HD13 ILE C 79 0.413 4.594 0.038 1.00 0.00 H new ATOM 1197 N ASN C 80 -0.608 7.283 5.146 1.00 0.00 N ATOM 1198 CA ASN C 80 -1.496 7.042 6.258 1.00 0.00 C ATOM 1199 C ASN C 80 -1.888 8.336 6.943 1.00 0.00 C ATOM 1200 O ASN C 80 -2.908 8.395 7.624 1.00 0.00 O ATOM 1201 CB ASN C 80 -0.867 6.075 7.264 1.00 0.00 C ATOM 1202 CG ASN C 80 -0.359 4.799 6.614 1.00 0.00 C ATOM 1203 OD1 ASN C 80 -0.921 4.320 5.640 1.00 0.00 O ATOM 1204 ND2 ASN C 80 0.717 4.237 7.147 1.00 0.00 N ATOM 0 H ASN C 80 0.384 7.182 5.362 1.00 0.00 H new ATOM 0 HA ASN C 80 -2.401 6.584 5.859 1.00 0.00 H new ATOM 0 HB2 ASN C 80 -0.041 6.573 7.772 1.00 0.00 H new ATOM 0 HB3 ASN C 80 -1.603 5.821 8.026 1.00 0.00 H new ATOM 0 HD21 ASN C 80 1.098 3.381 6.744 1.00 0.00 H new ATOM 0 HD22 ASN C 80 1.164 4.661 7.960 1.00 0.00 H new ATOM 1211 N LYS C 81 -1.082 9.372 6.774 1.00 0.00 N ATOM 1212 CA LYS C 81 -1.476 10.702 7.206 1.00 0.00 C ATOM 1213 C LYS C 81 -2.704 11.121 6.417 1.00 0.00 C ATOM 1214 O LYS C 81 -3.663 11.660 6.961 1.00 0.00 O ATOM 1215 CB LYS C 81 -0.346 11.710 6.983 1.00 0.00 C ATOM 1216 CG LYS C 81 0.879 11.457 7.841 1.00 0.00 C ATOM 1217 CD LYS C 81 2.028 12.375 7.460 1.00 0.00 C ATOM 1218 CE LYS C 81 3.284 12.050 8.255 1.00 0.00 C ATOM 1219 NZ LYS C 81 3.097 12.287 9.712 1.00 0.00 N1+ ATOM 0 H LYS C 81 -0.158 9.318 6.344 1.00 0.00 H new ATOM 0 HA LYS C 81 -1.699 10.681 8.273 1.00 0.00 H new ATOM 0 HB2 LYS C 81 -0.054 11.687 5.933 1.00 0.00 H new ATOM 0 HB3 LYS C 81 -0.721 12.713 7.188 1.00 0.00 H new ATOM 0 HG2 LYS C 81 0.626 11.606 8.891 1.00 0.00 H new ATOM 0 HG3 LYS C 81 1.191 10.418 7.733 1.00 0.00 H new ATOM 0 HD2 LYS C 81 2.235 12.279 6.394 1.00 0.00 H new ATOM 0 HD3 LYS C 81 1.742 13.412 7.637 1.00 0.00 H new ATOM 0 HE2 LYS C 81 3.559 11.008 8.089 1.00 0.00 H new ATOM 0 HE3 LYS C 81 4.111 12.660 7.892 1.00 0.00 H new ATOM 0 HZ1 LYS C 81 4.010 12.185 10.200 1.00 0.00 H new ATOM 0 HZ2 LYS C 81 2.729 13.248 9.863 1.00 0.00 H new ATOM 0 HZ3 LYS C 81 2.421 11.594 10.093 1.00 0.00 H new ATOM 1233 N LEU C 82 -2.674 10.797 5.131 1.00 0.00 N ATOM 1234 CA LEU C 82 -3.733 11.161 4.199 1.00 0.00 C ATOM 1235 C LEU C 82 -5.090 10.674 4.689 1.00 0.00 C ATOM 1236 O LEU C 82 -6.093 11.375 4.537 1.00 0.00 O ATOM 1237 CB LEU C 82 -3.459 10.533 2.827 1.00 0.00 C ATOM 1238 CG LEU C 82 -1.992 10.509 2.385 1.00 0.00 C ATOM 1239 CD1 LEU C 82 -1.874 9.889 0.999 1.00 0.00 C ATOM 1240 CD2 LEU C 82 -1.410 11.915 2.380 1.00 0.00 C ATOM 0 H LEU C 82 -1.911 10.272 4.703 1.00 0.00 H new ATOM 0 HA LEU C 82 -3.749 12.248 4.125 1.00 0.00 H new ATOM 0 HB2 LEU C 82 -3.833 9.509 2.836 1.00 0.00 H new ATOM 0 HB3 LEU C 82 -4.035 11.076 2.078 1.00 0.00 H new ATOM 0 HG LEU C 82 -1.427 9.904 3.095 1.00 0.00 H new ATOM 0 HD11 LEU C 82 -0.828 9.877 0.694 1.00 0.00 H new ATOM 0 HD12 LEU C 82 -2.257 8.869 1.023 1.00 0.00 H new ATOM 0 HD13 LEU C 82 -2.453 10.477 0.287 1.00 0.00 H new ATOM 0 HD21 LEU C 82 -0.368 11.876 2.063 1.00 0.00 H new ATOM 0 HD22 LEU C 82 -1.976 12.541 1.690 1.00 0.00 H new ATOM 0 HD23 LEU C 82 -1.469 12.337 3.383 1.00 0.00 H new ATOM 1252 N ASN C 83 -5.097 9.504 5.331 1.00 0.00 N ATOM 1253 CA ASN C 83 -6.337 8.768 5.605 1.00 0.00 C ATOM 1254 C ASN C 83 -7.221 8.775 4.365 1.00 0.00 C ATOM 1255 O ASN C 83 -8.098 9.628 4.202 1.00 0.00 O ATOM 1256 CB ASN C 83 -7.074 9.330 6.824 1.00 0.00 C ATOM 1257 CG ASN C 83 -6.357 9.036 8.134 1.00 0.00 C ATOM 1258 OD1 ASN C 83 -6.491 9.781 9.103 1.00 0.00 O ATOM 1259 ND2 ASN C 83 -5.583 7.951 8.182 1.00 0.00 N ATOM 0 H ASN C 83 -4.254 9.042 5.673 1.00 0.00 H new ATOM 0 HA ASN C 83 -6.081 7.737 5.847 1.00 0.00 H new ATOM 0 HB2 ASN C 83 -7.185 10.408 6.710 1.00 0.00 H new ATOM 0 HB3 ASN C 83 -8.078 8.908 6.862 1.00 0.00 H new ATOM 0 HD21 ASN C 83 -5.082 7.720 9.040 1.00 0.00 H new ATOM 0 HD22 ASN C 83 -5.492 7.353 7.361 1.00 0.00 H new ATOM 1266 N ILE C 84 -6.959 7.819 3.486 1.00 0.00 N ATOM 1267 CA ILE C 84 -7.557 7.796 2.161 1.00 0.00 C ATOM 1268 C ILE C 84 -9.068 7.683 2.209 1.00 0.00 C ATOM 1269 O ILE C 84 -9.627 6.662 2.600 1.00 0.00 O ATOM 1270 CB ILE C 84 -6.999 6.649 1.317 1.00 0.00 C ATOM 1271 CG1 ILE C 84 -5.479 6.633 1.424 1.00 0.00 C ATOM 1272 CG2 ILE C 84 -7.435 6.813 -0.132 1.00 0.00 C ATOM 1273 CD1 ILE C 84 -4.824 5.543 0.602 1.00 0.00 C ATOM 0 H ILE C 84 -6.327 7.040 3.671 1.00 0.00 H new ATOM 0 HA ILE C 84 -7.297 8.749 1.700 1.00 0.00 H new ATOM 0 HB ILE C 84 -7.387 5.700 1.687 1.00 0.00 H new ATOM 0 HG12 ILE C 84 -5.091 7.600 1.105 1.00 0.00 H new ATOM 0 HG13 ILE C 84 -5.198 6.506 2.470 1.00 0.00 H new ATOM 0 HG21 ILE C 84 -7.034 5.993 -0.728 1.00 0.00 H new ATOM 0 HG22 ILE C 84 -8.524 6.804 -0.188 1.00 0.00 H new ATOM 0 HG23 ILE C 84 -7.060 7.760 -0.520 1.00 0.00 H new ATOM 0 HD11 ILE C 84 -3.742 5.593 0.727 1.00 0.00 H new ATOM 0 HD12 ILE C 84 -5.183 4.570 0.936 1.00 0.00 H new ATOM 0 HD13 ILE C 84 -5.074 5.681 -0.450 1.00 0.00 H new ATOM 1285 N LYS C 85 -9.705 8.743 1.764 1.00 0.00 N ATOM 1286 CA LYS C 85 -11.154 8.854 1.776 1.00 0.00 C ATOM 1287 C LYS C 85 -11.765 8.199 0.551 1.00 0.00 C ATOM 1288 O LYS C 85 -12.381 8.862 -0.287 1.00 0.00 O ATOM 1289 CB LYS C 85 -11.548 10.319 1.805 1.00 0.00 C ATOM 1290 CG LYS C 85 -10.827 11.152 0.739 1.00 0.00 C ATOM 1291 CD LYS C 85 -10.309 12.481 1.278 1.00 0.00 C ATOM 1292 CE LYS C 85 -9.092 12.311 2.184 1.00 0.00 C ATOM 1293 NZ LYS C 85 -9.456 11.930 3.573 1.00 0.00 N1+ ATOM 0 H LYS C 85 -9.232 9.561 1.380 1.00 0.00 H new ATOM 0 HA LYS C 85 -11.527 8.344 2.664 1.00 0.00 H new ATOM 0 HB2 LYS C 85 -12.625 10.403 1.658 1.00 0.00 H new ATOM 0 HB3 LYS C 85 -11.328 10.730 2.790 1.00 0.00 H new ATOM 0 HG2 LYS C 85 -9.992 10.577 0.339 1.00 0.00 H new ATOM 0 HG3 LYS C 85 -11.509 11.342 -0.090 1.00 0.00 H new ATOM 0 HD2 LYS C 85 -10.048 13.131 0.443 1.00 0.00 H new ATOM 0 HD3 LYS C 85 -11.104 12.979 1.833 1.00 0.00 H new ATOM 0 HE2 LYS C 85 -8.436 11.549 1.764 1.00 0.00 H new ATOM 0 HE3 LYS C 85 -8.527 13.243 2.204 1.00 0.00 H new ATOM 0 HZ1 LYS C 85 -8.882 12.478 4.245 1.00 0.00 H new ATOM 0 HZ2 LYS C 85 -10.464 12.130 3.735 1.00 0.00 H new ATOM 0 HZ3 LYS C 85 -9.278 10.915 3.713 1.00 0.00 H new ATOM 1307 N GLY C 86 -11.609 6.904 0.438 1.00 0.00 N ATOM 1308 CA GLY C 86 -12.082 6.239 -0.741 1.00 0.00 C ATOM 1309 C GLY C 86 -12.689 4.886 -0.441 1.00 0.00 C ATOM 1310 O GLY C 86 -12.378 4.285 0.586 1.00 0.00 O ATOM 0 H GLY C 86 -11.167 6.303 1.134 1.00 0.00 H new ATOM 0 HA2 GLY C 86 -12.825 6.866 -1.234 1.00 0.00 H new ATOM 0 HA3 GLY C 86 -11.255 6.115 -1.441 1.00 0.00 H new ATOM 1314 N PRO C 87 -13.566 4.378 -1.323 1.00 0.00 N ATOM 1315 CA PRO C 87 -14.273 3.117 -1.092 1.00 0.00 C ATOM 1316 C PRO C 87 -13.416 1.897 -1.421 1.00 0.00 C ATOM 1317 O PRO C 87 -13.217 1.029 -0.572 1.00 0.00 O ATOM 1318 CB PRO C 87 -15.452 3.218 -2.053 1.00 0.00 C ATOM 1319 CG PRO C 87 -14.918 4.004 -3.198 1.00 0.00 C ATOM 1320 CD PRO C 87 -13.959 5.003 -2.603 1.00 0.00 C ATOM 0 HA PRO C 87 -14.555 2.983 -0.048 1.00 0.00 H new ATOM 0 HB2 PRO C 87 -15.794 2.233 -2.370 1.00 0.00 H new ATOM 0 HB3 PRO C 87 -16.303 3.717 -1.589 1.00 0.00 H new ATOM 0 HG2 PRO C 87 -14.412 3.356 -3.914 1.00 0.00 H new ATOM 0 HG3 PRO C 87 -15.722 4.507 -3.735 1.00 0.00 H new ATOM 0 HD2 PRO C 87 -13.098 5.169 -3.251 1.00 0.00 H new ATOM 0 HD3 PRO C 87 -14.433 5.972 -2.448 1.00 0.00 H new ATOM 1328 N TYR C 88 -12.899 1.844 -2.641 1.00 0.00 N ATOM 1329 CA TYR C 88 -12.051 0.751 -3.053 1.00 0.00 C ATOM 1330 C TYR C 88 -10.729 1.307 -3.541 1.00 0.00 C ATOM 1331 O TYR C 88 -10.695 2.277 -4.304 1.00 0.00 O ATOM 1332 CB TYR C 88 -12.726 -0.122 -4.121 1.00 0.00 C ATOM 1333 CG TYR C 88 -13.260 0.634 -5.322 1.00 0.00 C ATOM 1334 CD1 TYR C 88 -12.477 0.817 -6.453 1.00 0.00 C ATOM 1335 CD2 TYR C 88 -14.552 1.146 -5.330 1.00 0.00 C ATOM 1336 CE1 TYR C 88 -12.963 1.489 -7.558 1.00 0.00 C ATOM 1337 CE2 TYR C 88 -15.044 1.822 -6.429 1.00 0.00 C ATOM 1338 CZ TYR C 88 -14.246 1.990 -7.541 1.00 0.00 C ATOM 1339 OH TYR C 88 -14.735 2.653 -8.645 1.00 0.00 O ATOM 0 H TYR C 88 -13.057 2.551 -3.359 1.00 0.00 H new ATOM 0 HA TYR C 88 -11.870 0.101 -2.197 1.00 0.00 H new ATOM 0 HB2 TYR C 88 -12.008 -0.865 -4.468 1.00 0.00 H new ATOM 0 HB3 TYR C 88 -13.549 -0.666 -3.657 1.00 0.00 H new ATOM 0 HD1 TYR C 88 -11.470 0.427 -6.470 1.00 0.00 H new ATOM 0 HD2 TYR C 88 -15.181 1.013 -4.463 1.00 0.00 H new ATOM 0 HE1 TYR C 88 -12.340 1.621 -8.430 1.00 0.00 H new ATOM 0 HE2 TYR C 88 -16.049 2.217 -6.418 1.00 0.00 H new ATOM 0 HH TYR C 88 -15.655 2.942 -8.472 1.00 0.00 H new ATOM 1349 N ILE C 89 -9.642 0.719 -3.078 1.00 0.00 N ATOM 1350 CA ILE C 89 -8.332 1.296 -3.299 1.00 0.00 C ATOM 1351 C ILE C 89 -7.351 0.278 -3.844 1.00 0.00 C ATOM 1352 O ILE C 89 -7.235 -0.840 -3.338 1.00 0.00 O ATOM 1353 CB ILE C 89 -7.779 1.894 -1.993 1.00 0.00 C ATOM 1354 CG1 ILE C 89 -8.769 2.921 -1.452 1.00 0.00 C ATOM 1355 CG2 ILE C 89 -6.413 2.531 -2.222 1.00 0.00 C ATOM 1356 CD1 ILE C 89 -8.369 3.523 -0.123 1.00 0.00 C ATOM 0 H ILE C 89 -9.641 -0.153 -2.549 1.00 0.00 H new ATOM 0 HA ILE C 89 -8.450 2.085 -4.041 1.00 0.00 H new ATOM 0 HB ILE C 89 -7.652 1.096 -1.261 1.00 0.00 H new ATOM 0 HG12 ILE C 89 -8.881 3.722 -2.183 1.00 0.00 H new ATOM 0 HG13 ILE C 89 -9.745 2.448 -1.345 1.00 0.00 H new ATOM 0 HG21 ILE C 89 -6.043 2.946 -1.284 1.00 0.00 H new ATOM 0 HG22 ILE C 89 -5.715 1.776 -2.584 1.00 0.00 H new ATOM 0 HG23 ILE C 89 -6.502 3.327 -2.961 1.00 0.00 H new ATOM 0 HD11 ILE C 89 -9.124 4.243 0.193 1.00 0.00 H new ATOM 0 HD12 ILE C 89 -8.286 2.733 0.624 1.00 0.00 H new ATOM 0 HD13 ILE C 89 -7.408 4.027 -0.226 1.00 0.00 H new ATOM 1368 N GLU C 90 -6.654 0.680 -4.886 1.00 0.00 N ATOM 1369 CA GLU C 90 -5.599 -0.122 -5.454 1.00 0.00 C ATOM 1370 C GLU C 90 -4.269 0.307 -4.877 1.00 0.00 C ATOM 1371 O GLU C 90 -3.683 1.293 -5.324 1.00 0.00 O ATOM 1372 CB GLU C 90 -5.559 0.066 -6.962 1.00 0.00 C ATOM 1373 CG GLU C 90 -6.846 -0.322 -7.657 1.00 0.00 C ATOM 1374 CD GLU C 90 -7.023 -1.823 -7.746 1.00 0.00 C ATOM 1375 OE1 GLU C 90 -6.256 -2.471 -8.495 1.00 0.00 O ATOM 1376 OE2 GLU C 90 -7.929 -2.361 -7.080 1.00 0.00 O1- ATOM 0 H GLU C 90 -6.805 1.571 -5.360 1.00 0.00 H new ATOM 0 HA GLU C 90 -5.788 -1.169 -5.219 1.00 0.00 H new ATOM 0 HB2 GLU C 90 -5.337 1.110 -7.183 1.00 0.00 H new ATOM 0 HB3 GLU C 90 -4.742 -0.527 -7.372 1.00 0.00 H new ATOM 0 HG2 GLU C 90 -7.690 0.110 -7.120 1.00 0.00 H new ATOM 0 HG3 GLU C 90 -6.856 0.103 -8.661 1.00 0.00 H new ATOM 1383 N ILE C 91 -3.796 -0.411 -3.886 1.00 0.00 N ATOM 1384 CA ILE C 91 -2.473 -0.168 -3.379 1.00 0.00 C ATOM 1385 C ILE C 91 -1.592 -1.340 -3.820 1.00 0.00 C ATOM 1386 O ILE C 91 -1.610 -2.429 -3.252 1.00 0.00 O ATOM 1387 CB ILE C 91 -2.498 0.081 -1.837 1.00 0.00 C ATOM 1388 CG1 ILE C 91 -1.220 0.770 -1.375 1.00 0.00 C ATOM 1389 CG2 ILE C 91 -2.704 -1.200 -1.049 1.00 0.00 C ATOM 1390 CD1 ILE C 91 -1.397 1.591 -0.116 1.00 0.00 C ATOM 0 H ILE C 91 -4.305 -1.162 -3.420 1.00 0.00 H new ATOM 0 HA ILE C 91 -2.047 0.748 -3.788 1.00 0.00 H new ATOM 0 HB ILE C 91 -3.349 0.733 -1.642 1.00 0.00 H new ATOM 0 HG12 ILE C 91 -0.452 0.016 -1.202 1.00 0.00 H new ATOM 0 HG13 ILE C 91 -0.857 1.417 -2.173 1.00 0.00 H new ATOM 0 HG21 ILE C 91 -2.714 -0.974 0.017 1.00 0.00 H new ATOM 0 HG22 ILE C 91 -3.654 -1.653 -1.333 1.00 0.00 H new ATOM 0 HG23 ILE C 91 -1.892 -1.895 -1.265 1.00 0.00 H new ATOM 0 HD11 ILE C 91 -0.447 2.052 0.154 1.00 0.00 H new ATOM 0 HD12 ILE C 91 -2.141 2.368 -0.290 1.00 0.00 H new ATOM 0 HD13 ILE C 91 -1.730 0.945 0.696 1.00 0.00 H new ATOM 1402 N LYS C 92 -0.865 -1.114 -4.904 1.00 0.00 N ATOM 1403 CA LYS C 92 -0.171 -2.184 -5.604 1.00 0.00 C ATOM 1404 C LYS C 92 0.888 -1.597 -6.522 1.00 0.00 C ATOM 1405 O LYS C 92 1.014 -0.384 -6.629 1.00 0.00 O ATOM 1406 CB LYS C 92 -1.202 -2.975 -6.413 1.00 0.00 C ATOM 1407 CG LYS C 92 -2.155 -2.075 -7.188 1.00 0.00 C ATOM 1408 CD LYS C 92 -1.701 -1.852 -8.618 1.00 0.00 C ATOM 1409 CE LYS C 92 -2.076 -3.031 -9.502 1.00 0.00 C ATOM 1410 NZ LYS C 92 -3.547 -3.260 -9.523 1.00 0.00 N1+ ATOM 0 H LYS C 92 -0.740 -0.191 -5.320 1.00 0.00 H new ATOM 0 HA LYS C 92 0.324 -2.845 -4.893 1.00 0.00 H new ATOM 0 HB2 LYS C 92 -0.684 -3.634 -7.109 1.00 0.00 H new ATOM 0 HB3 LYS C 92 -1.776 -3.611 -5.739 1.00 0.00 H new ATOM 0 HG2 LYS C 92 -3.150 -2.520 -7.190 1.00 0.00 H new ATOM 0 HG3 LYS C 92 -2.237 -1.114 -6.681 1.00 0.00 H new ATOM 0 HD2 LYS C 92 -2.155 -0.941 -9.009 1.00 0.00 H new ATOM 0 HD3 LYS C 92 -0.621 -1.705 -8.641 1.00 0.00 H new ATOM 0 HE2 LYS C 92 -1.721 -2.852 -10.517 1.00 0.00 H new ATOM 0 HE3 LYS C 92 -1.573 -3.929 -9.143 1.00 0.00 H new ATOM 0 HZ1 LYS C 92 -3.859 -3.423 -10.502 1.00 0.00 H new ATOM 0 HZ2 LYS C 92 -3.777 -4.092 -8.943 1.00 0.00 H new ATOM 0 HZ3 LYS C 92 -4.034 -2.425 -9.139 1.00 0.00 H new ATOM 1424 N GLN C 93 1.650 -2.437 -7.192 1.00 0.00 N ATOM 1425 CA GLN C 93 2.634 -1.928 -8.124 1.00 0.00 C ATOM 1426 C GLN C 93 2.206 -2.141 -9.558 1.00 0.00 C ATOM 1427 O GLN C 93 1.313 -2.938 -9.849 1.00 0.00 O ATOM 1428 CB GLN C 93 4.023 -2.494 -7.862 1.00 0.00 C ATOM 1429 CG GLN C 93 4.044 -3.905 -7.309 1.00 0.00 C ATOM 1430 CD GLN C 93 5.446 -4.352 -6.947 1.00 0.00 C ATOM 1431 OE1 GLN C 93 5.765 -5.538 -6.992 1.00 0.00 O ATOM 1432 NE2 GLN C 93 6.300 -3.403 -6.600 1.00 0.00 N ATOM 0 H GLN C 93 1.610 -3.453 -7.112 1.00 0.00 H new ATOM 0 HA GLN C 93 2.697 -0.852 -7.959 1.00 0.00 H new ATOM 0 HB2 GLN C 93 4.588 -2.476 -8.794 1.00 0.00 H new ATOM 0 HB3 GLN C 93 4.541 -1.838 -7.163 1.00 0.00 H new ATOM 0 HG2 GLN C 93 3.407 -3.958 -6.426 1.00 0.00 H new ATOM 0 HG3 GLN C 93 3.624 -4.590 -8.046 1.00 0.00 H new ATOM 0 HE21 GLN C 93 5.998 -2.429 -6.574 1.00 0.00 H new ATOM 0 HE22 GLN C 93 7.261 -3.645 -6.358 1.00 0.00 H new ATOM 1441 N ILE C 94 2.863 -1.421 -10.443 1.00 0.00 N ATOM 1442 CA ILE C 94 2.403 -1.245 -11.803 1.00 0.00 C ATOM 1443 C ILE C 94 3.516 -1.514 -12.806 1.00 0.00 C ATOM 1444 O ILE C 94 4.280 -2.479 -12.595 1.00 0.00 O ATOM 1445 CB ILE C 94 1.862 0.190 -11.958 1.00 0.00 C ATOM 1446 CG1 ILE C 94 2.674 1.139 -11.065 1.00 0.00 C ATOM 1447 CG2 ILE C 94 0.389 0.240 -11.591 1.00 0.00 C ATOM 1448 CD1 ILE C 94 2.125 2.540 -10.962 1.00 0.00 C ATOM 1449 OXT ILE C 94 3.605 -0.786 -13.814 1.00 0.00 O ATOM 0 H ILE C 94 3.738 -0.938 -10.237 1.00 0.00 H new ATOM 0 HA ILE C 94 1.610 -1.964 -12.008 1.00 0.00 H new ATOM 0 HB ILE C 94 1.963 0.505 -12.997 1.00 0.00 H new ATOM 0 HG12 ILE C 94 2.731 0.712 -10.064 1.00 0.00 H new ATOM 0 HG13 ILE C 94 3.693 1.191 -11.448 1.00 0.00 H new ATOM 0 HG21 ILE C 94 0.020 1.259 -11.705 1.00 0.00 H new ATOM 0 HG22 ILE C 94 -0.172 -0.425 -12.248 1.00 0.00 H new ATOM 0 HG23 ILE C 94 0.261 -0.079 -10.557 1.00 0.00 H new ATOM 0 HD11 ILE C 94 2.765 3.135 -10.311 1.00 0.00 H new ATOM 0 HD12 ILE C 94 2.095 2.993 -11.953 1.00 0.00 H new ATOM 0 HD13 ILE C 94 1.117 2.506 -10.548 1.00 0.00 H new