USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=30 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 77 ASN :FLIP amide:sc= -0.586 F(o=-14!,f=-7.4) USER MOD Set 1.2: C 80 ASN : amide:sc= -6.84! C(o=-7.4!,f=-12!) USER MOD Set 2.1: C 71 THR OG1 : rot 30:sc= 1.02 USER MOD Set 2.2: C 74 ASN : amide:sc= 1.06 X(o=2.1,f=1.6) USER MOD Set 3.1: C 62 LYS NZ :NH3+ 166:sc= 0.516 (180deg=0) USER MOD Set 3.2: C 65 THR OG1 : rot 120:sc= 0.488 USER MOD Set 4.1: C 40 SER OG : rot 99:sc= 0.513 USER MOD Set 4.2: C 76 SER OG : rot -62:sc= 1.66 USER MOD Set 5.1: C 32 ASN : amide:sc= -2.2! C(o=-4.2!,f=-8.5!) USER MOD Set 5.2: C 35 GLN : amide:sc= 0.104 X(o=-4.2,f=-4.1) USER MOD Set 5.3: C 37 LYS NZ :NH3+ -166:sc= 1.01 (180deg=0) USER MOD Set 5.4: C 83 ASN : amide:sc= -3.14! C(o=-4.2!,f=-4.1!) USER MOD Set 6.1: C 26 LYS NZ :NH3+ 177:sc= 1.35 (180deg=0.511) USER MOD Set 6.2: C 42 ASN : amide:sc= -2.46! C(o=-1.1!,f=-4.7!) USER MOD Set 7.1: C 9 GLN : amide:sc= -1.49! C(o=-3!,f=-4.2!) USER MOD Set 7.2: C 31 MET CE :methyl 170:sc= -1.47 (180deg=-2.18) USER MOD Single : C 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 11 ASN : amide:sc= -0.0324 K(o=-0.032,f=-2!) USER MOD Single : C 12 SER OG : rot 180:sc= 0 USER MOD Single : C 14 ASN : amide:sc= -0.0697 K(o=-0.07,f=-2.1!) USER MOD Single : C 15 SER OG : rot -88:sc= 1.2 USER MOD Single : C 17 ASN : amide:sc= -0.406! C(o=-0.41!,f=-4.5!) USER MOD Single : C 19 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00911) USER MOD Single : C 21 ASN : amide:sc= -0.243 K(o=-0.24,f=-2.2!) USER MOD Single : C 22 LYS NZ :NH3+ -157:sc= -3.98! (180deg=-8.52!) USER MOD Single : C 24 LYS NZ :NH3+ 171:sc= 1.28 (180deg=1.1) USER MOD Single : C 28 SER OG : rot 180:sc= 0 USER MOD Single : C 30 SER OG : rot 180:sc= -0.13 USER MOD Single : C 34 ASN :FLIP amide:sc= -0.395 F(o=-1.1!,f=-0.4) USER MOD Single : C 39 THR OG1 : rot 180:sc= -0.614 USER MOD Single : C 41 SER OG : rot 180:sc= 0 USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 SER OG : rot -118:sc= 0.559 USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 52 LYS NZ :NH3+ 155:sc= -0.13 (180deg=-0.631) USER MOD Single : C 53 ASN :FLIP amide:sc= -0.41 F(o=-0.97,f=-0.41) USER MOD Single : C 59 ASN : amide:sc= -0.216 K(o=-0.22,f=-5!) USER MOD Single : C 64 TYR OH : rot 180:sc= 0 USER MOD Single : C 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 69 LYS NZ :NH3+ -173:sc= 1.23 (180deg=1.03) USER MOD Single : C 70 SER OG : rot 180:sc= 0 USER MOD Single : C 81 LYS NZ :NH3+ -110:sc= 0.565 (180deg=-0.0135) USER MOD Single : C 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 88 TYR OH : rot 180:sc= 0 USER MOD Single : C 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 93 GLN :FLIP amide:sc= -0.397 F(o=-1.5,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 125 N GLN C 9 -11.942 -5.139 -0.993 1.00 0.00 N ATOM 126 CA GLN C 9 -10.932 -5.502 -0.001 1.00 0.00 C ATOM 127 C GLN C 9 -10.640 -7.004 -0.043 1.00 0.00 C ATOM 128 O GLN C 9 -10.108 -7.570 0.913 1.00 0.00 O ATOM 129 CB GLN C 9 -11.387 -5.104 1.399 1.00 0.00 C ATOM 130 CG GLN C 9 -11.310 -3.616 1.689 1.00 0.00 C ATOM 131 CD GLN C 9 -11.959 -3.262 3.010 1.00 0.00 C ATOM 132 OE1 GLN C 9 -11.517 -2.354 3.710 1.00 0.00 O ATOM 133 NE2 GLN C 9 -13.037 -3.957 3.343 1.00 0.00 N ATOM 0 HA GLN C 9 -10.017 -4.961 -0.244 1.00 0.00 H new ATOM 0 HB2 GLN C 9 -12.416 -5.436 1.541 1.00 0.00 H new ATOM 0 HB3 GLN C 9 -10.777 -5.635 2.130 1.00 0.00 H new ATOM 0 HG2 GLN C 9 -10.266 -3.303 1.702 1.00 0.00 H new ATOM 0 HG3 GLN C 9 -11.798 -3.064 0.886 1.00 0.00 H new ATOM 0 HE21 GLN C 9 -13.371 -4.703 2.733 1.00 0.00 H new ATOM 0 HE22 GLN C 9 -13.533 -3.746 4.209 1.00 0.00 H new ATOM 142 N MET C 10 -11.018 -7.638 -1.150 1.00 0.00 N ATOM 143 CA MET C 10 -10.906 -9.088 -1.312 1.00 0.00 C ATOM 144 C MET C 10 -9.453 -9.550 -1.445 1.00 0.00 C ATOM 145 O MET C 10 -8.522 -8.807 -1.120 1.00 0.00 O ATOM 146 CB MET C 10 -11.697 -9.534 -2.544 1.00 0.00 C ATOM 147 CG MET C 10 -13.203 -9.448 -2.373 1.00 0.00 C ATOM 148 SD MET C 10 -13.803 -10.467 -1.012 1.00 0.00 S ATOM 149 CE MET C 10 -15.572 -10.244 -1.183 1.00 0.00 C ATOM 0 H MET C 10 -11.411 -7.162 -1.962 1.00 0.00 H new ATOM 0 HA MET C 10 -11.316 -9.546 -0.412 1.00 0.00 H new ATOM 0 HB2 MET C 10 -11.402 -8.920 -3.395 1.00 0.00 H new ATOM 0 HB3 MET C 10 -11.427 -10.562 -2.784 1.00 0.00 H new ATOM 0 HG2 MET C 10 -13.487 -8.410 -2.198 1.00 0.00 H new ATOM 0 HG3 MET C 10 -13.689 -9.760 -3.298 1.00 0.00 H new ATOM 0 HE1 MET C 10 -16.087 -10.814 -0.410 1.00 0.00 H new ATOM 0 HE2 MET C 10 -15.817 -9.187 -1.079 1.00 0.00 H new ATOM 0 HE3 MET C 10 -15.890 -10.595 -2.165 1.00 0.00 H new ATOM 159 N ASN C 11 -9.270 -10.778 -1.942 1.00 0.00 N ATOM 160 CA ASN C 11 -7.939 -11.376 -2.111 1.00 0.00 C ATOM 161 C ASN C 11 -6.998 -10.466 -2.889 1.00 0.00 C ATOM 162 O ASN C 11 -5.779 -10.583 -2.763 1.00 0.00 O ATOM 163 CB ASN C 11 -8.032 -12.732 -2.824 1.00 0.00 C ATOM 164 CG ASN C 11 -8.682 -13.813 -1.979 1.00 0.00 C ATOM 165 OD1 ASN C 11 -9.556 -13.539 -1.156 1.00 0.00 O ATOM 166 ND2 ASN C 11 -8.257 -15.051 -2.179 1.00 0.00 N ATOM 0 H ASN C 11 -10.036 -11.384 -2.237 1.00 0.00 H new ATOM 0 HA ASN C 11 -7.533 -11.517 -1.109 1.00 0.00 H new ATOM 0 HB2 ASN C 11 -8.600 -12.611 -3.746 1.00 0.00 H new ATOM 0 HB3 ASN C 11 -7.030 -13.055 -3.107 1.00 0.00 H new ATOM 0 HD21 ASN C 11 -8.656 -15.820 -1.641 1.00 0.00 H new ATOM 0 HD22 ASN C 11 -7.531 -15.235 -2.871 1.00 0.00 H new ATOM 173 N SER C 12 -7.564 -9.564 -3.688 1.00 0.00 N ATOM 174 CA SER C 12 -6.776 -8.584 -4.420 1.00 0.00 C ATOM 175 C SER C 12 -5.786 -7.880 -3.497 1.00 0.00 C ATOM 176 O SER C 12 -4.618 -7.722 -3.839 1.00 0.00 O ATOM 177 CB SER C 12 -7.692 -7.549 -5.075 1.00 0.00 C ATOM 178 OG SER C 12 -8.601 -8.164 -5.974 1.00 0.00 O ATOM 0 H SER C 12 -8.570 -9.494 -3.843 1.00 0.00 H new ATOM 0 HA SER C 12 -6.217 -9.112 -5.193 1.00 0.00 H new ATOM 0 HB2 SER C 12 -8.246 -7.011 -4.306 1.00 0.00 H new ATOM 0 HB3 SER C 12 -7.090 -6.813 -5.609 1.00 0.00 H new ATOM 0 HG SER C 12 -9.176 -7.480 -6.377 1.00 0.00 H new ATOM 184 N ILE C 13 -6.246 -7.494 -2.314 1.00 0.00 N ATOM 185 CA ILE C 13 -5.402 -6.750 -1.395 1.00 0.00 C ATOM 186 C ILE C 13 -4.603 -7.692 -0.490 1.00 0.00 C ATOM 187 O ILE C 13 -3.553 -7.328 0.024 1.00 0.00 O ATOM 188 CB ILE C 13 -6.217 -5.755 -0.547 1.00 0.00 C ATOM 189 CG1 ILE C 13 -7.018 -4.833 -1.472 1.00 0.00 C ATOM 190 CG2 ILE C 13 -5.310 -4.943 0.370 1.00 0.00 C ATOM 191 CD1 ILE C 13 -7.542 -3.591 -0.793 1.00 0.00 C ATOM 0 H ILE C 13 -7.189 -7.682 -1.973 1.00 0.00 H new ATOM 0 HA ILE C 13 -4.701 -6.176 -2.001 1.00 0.00 H new ATOM 0 HB ILE C 13 -6.906 -6.315 0.086 1.00 0.00 H new ATOM 0 HG12 ILE C 13 -6.387 -4.538 -2.310 1.00 0.00 H new ATOM 0 HG13 ILE C 13 -7.858 -5.391 -1.886 1.00 0.00 H new ATOM 0 HG21 ILE C 13 -5.913 -4.249 0.956 1.00 0.00 H new ATOM 0 HG22 ILE C 13 -4.775 -5.615 1.041 1.00 0.00 H new ATOM 0 HG23 ILE C 13 -4.593 -4.383 -0.230 1.00 0.00 H new ATOM 0 HD11 ILE C 13 -8.098 -2.990 -1.513 1.00 0.00 H new ATOM 0 HD12 ILE C 13 -8.201 -3.875 0.028 1.00 0.00 H new ATOM 0 HD13 ILE C 13 -6.707 -3.010 -0.403 1.00 0.00 H new ATOM 203 N ASN C 14 -5.088 -8.913 -0.306 1.00 0.00 N ATOM 204 CA ASN C 14 -4.372 -9.895 0.513 1.00 0.00 C ATOM 205 C ASN C 14 -3.117 -10.371 -0.196 1.00 0.00 C ATOM 206 O ASN C 14 -2.038 -10.408 0.392 1.00 0.00 O ATOM 207 CB ASN C 14 -5.235 -11.104 0.811 1.00 0.00 C ATOM 208 CG ASN C 14 -6.449 -10.783 1.659 1.00 0.00 C ATOM 209 OD1 ASN C 14 -7.516 -10.471 1.137 1.00 0.00 O ATOM 210 ND2 ASN C 14 -6.294 -10.860 2.971 1.00 0.00 N ATOM 0 H ASN C 14 -5.964 -9.249 -0.706 1.00 0.00 H new ATOM 0 HA ASN C 14 -4.111 -9.398 1.447 1.00 0.00 H new ATOM 0 HB2 ASN C 14 -5.565 -11.546 -0.129 1.00 0.00 H new ATOM 0 HB3 ASN C 14 -4.632 -11.854 1.322 1.00 0.00 H new ATOM 0 HD21 ASN C 14 -7.079 -10.656 3.590 1.00 0.00 H new ATOM 0 HD22 ASN C 14 -5.390 -11.123 3.363 1.00 0.00 H new ATOM 217 N SER C 15 -3.269 -10.750 -1.459 1.00 0.00 N ATOM 218 CA SER C 15 -2.128 -11.124 -2.287 1.00 0.00 C ATOM 219 C SER C 15 -1.147 -9.963 -2.351 1.00 0.00 C ATOM 220 O SER C 15 0.067 -10.144 -2.437 1.00 0.00 O ATOM 221 CB SER C 15 -2.601 -11.508 -3.695 1.00 0.00 C ATOM 222 OG SER C 15 -3.515 -10.546 -4.199 1.00 0.00 O ATOM 0 H SER C 15 -4.171 -10.807 -1.933 1.00 0.00 H new ATOM 0 HA SER C 15 -1.628 -11.987 -1.847 1.00 0.00 H new ATOM 0 HB2 SER C 15 -1.743 -11.586 -4.363 1.00 0.00 H new ATOM 0 HB3 SER C 15 -3.076 -12.489 -3.669 1.00 0.00 H new ATOM 0 HG SER C 15 -4.424 -10.779 -3.917 1.00 0.00 H new ATOM 228 N VAL C 16 -1.706 -8.767 -2.302 1.00 0.00 N ATOM 229 CA VAL C 16 -0.940 -7.541 -2.208 1.00 0.00 C ATOM 230 C VAL C 16 -0.241 -7.437 -0.853 1.00 0.00 C ATOM 231 O VAL C 16 0.911 -7.013 -0.777 1.00 0.00 O ATOM 232 CB VAL C 16 -1.875 -6.335 -2.426 1.00 0.00 C ATOM 233 CG1 VAL C 16 -1.409 -5.107 -1.678 1.00 0.00 C ATOM 234 CG2 VAL C 16 -2.015 -6.033 -3.909 1.00 0.00 C ATOM 0 H VAL C 16 -2.715 -8.620 -2.327 1.00 0.00 H new ATOM 0 HA VAL C 16 -0.171 -7.546 -2.980 1.00 0.00 H new ATOM 0 HB VAL C 16 -2.851 -6.606 -2.023 1.00 0.00 H new ATOM 0 HG11 VAL C 16 -2.100 -4.284 -1.863 1.00 0.00 H new ATOM 0 HG12 VAL C 16 -1.378 -5.322 -0.610 1.00 0.00 H new ATOM 0 HG13 VAL C 16 -0.413 -4.828 -2.021 1.00 0.00 H new ATOM 0 HG21 VAL C 16 -2.678 -5.179 -4.045 1.00 0.00 H new ATOM 0 HG22 VAL C 16 -1.035 -5.802 -4.327 1.00 0.00 H new ATOM 0 HG23 VAL C 16 -2.432 -6.901 -4.419 1.00 0.00 H new ATOM 244 N ASN C 17 -0.922 -7.850 0.213 1.00 0.00 N ATOM 245 CA ASN C 17 -0.328 -7.781 1.549 1.00 0.00 C ATOM 246 C ASN C 17 0.863 -8.725 1.648 1.00 0.00 C ATOM 247 O ASN C 17 1.867 -8.410 2.288 1.00 0.00 O ATOM 248 CB ASN C 17 -1.350 -8.106 2.641 1.00 0.00 C ATOM 249 CG ASN C 17 -2.020 -6.867 3.215 1.00 0.00 C ATOM 250 OD1 ASN C 17 -1.539 -6.274 4.183 1.00 0.00 O ATOM 251 ND2 ASN C 17 -3.131 -6.462 2.624 1.00 0.00 N ATOM 0 H ASN C 17 -1.868 -8.230 0.183 1.00 0.00 H new ATOM 0 HA ASN C 17 0.011 -6.757 1.705 1.00 0.00 H new ATOM 0 HB2 ASN C 17 -2.113 -8.768 2.232 1.00 0.00 H new ATOM 0 HB3 ASN C 17 -0.854 -8.650 3.445 1.00 0.00 H new ATOM 0 HD21 ASN C 17 -3.619 -5.634 2.967 1.00 0.00 H new ATOM 0 HD22 ASN C 17 -3.501 -6.977 1.825 1.00 0.00 H new ATOM 258 N ASP C 18 0.755 -9.877 0.993 1.00 0.00 N ATOM 259 CA ASP C 18 1.859 -10.832 0.937 1.00 0.00 C ATOM 260 C ASP C 18 2.912 -10.378 -0.065 1.00 0.00 C ATOM 261 O ASP C 18 4.063 -10.807 -0.013 1.00 0.00 O ATOM 262 CB ASP C 18 1.364 -12.233 0.572 1.00 0.00 C ATOM 263 CG ASP C 18 0.603 -12.901 1.699 1.00 0.00 C ATOM 264 OD1 ASP C 18 -0.497 -13.433 1.446 1.00 0.00 O ATOM 265 OD2 ASP C 18 1.107 -12.909 2.844 1.00 0.00 O1- ATOM 0 H ASP C 18 -0.084 -10.172 0.494 1.00 0.00 H new ATOM 0 HA ASP C 18 2.307 -10.874 1.930 1.00 0.00 H new ATOM 0 HB2 ASP C 18 0.721 -12.169 -0.306 1.00 0.00 H new ATOM 0 HB3 ASP C 18 2.217 -12.854 0.298 1.00 0.00 H new ATOM 270 N LYS C 19 2.509 -9.504 -0.977 1.00 0.00 N ATOM 271 CA LYS C 19 3.427 -8.918 -1.945 1.00 0.00 C ATOM 272 C LYS C 19 4.278 -7.872 -1.245 1.00 0.00 C ATOM 273 O LYS C 19 5.451 -7.669 -1.560 1.00 0.00 O ATOM 274 CB LYS C 19 2.641 -8.279 -3.099 1.00 0.00 C ATOM 275 CG LYS C 19 3.513 -7.637 -4.164 1.00 0.00 C ATOM 276 CD LYS C 19 4.343 -8.675 -4.896 1.00 0.00 C ATOM 277 CE LYS C 19 5.360 -8.026 -5.821 1.00 0.00 C ATOM 278 NZ LYS C 19 4.716 -7.241 -6.911 1.00 0.00 N1+ ATOM 0 H LYS C 19 1.545 -9.183 -1.067 1.00 0.00 H new ATOM 0 HA LYS C 19 4.070 -9.695 -2.358 1.00 0.00 H new ATOM 0 HB2 LYS C 19 2.018 -9.042 -3.566 1.00 0.00 H new ATOM 0 HB3 LYS C 19 1.969 -7.524 -2.692 1.00 0.00 H new ATOM 0 HG2 LYS C 19 2.886 -7.101 -4.877 1.00 0.00 H new ATOM 0 HG3 LYS C 19 4.171 -6.901 -3.703 1.00 0.00 H new ATOM 0 HD2 LYS C 19 4.859 -9.306 -4.172 1.00 0.00 H new ATOM 0 HD3 LYS C 19 3.687 -9.325 -5.475 1.00 0.00 H new ATOM 0 HE2 LYS C 19 6.010 -7.371 -5.240 1.00 0.00 H new ATOM 0 HE3 LYS C 19 5.994 -8.797 -6.258 1.00 0.00 H new ATOM 0 HZ1 LYS C 19 5.449 -6.846 -7.534 1.00 0.00 H new ATOM 0 HZ2 LYS C 19 4.090 -7.862 -7.463 1.00 0.00 H new ATOM 0 HZ3 LYS C 19 4.159 -6.466 -6.498 1.00 0.00 H new ATOM 292 N LEU C 20 3.659 -7.210 -0.290 1.00 0.00 N ATOM 293 CA LEU C 20 4.326 -6.224 0.528 1.00 0.00 C ATOM 294 C LEU C 20 5.172 -6.899 1.598 1.00 0.00 C ATOM 295 O LEU C 20 6.287 -6.475 1.874 1.00 0.00 O ATOM 296 CB LEU C 20 3.281 -5.310 1.155 1.00 0.00 C ATOM 297 CG LEU C 20 2.552 -4.408 0.158 1.00 0.00 C ATOM 298 CD1 LEU C 20 1.269 -3.853 0.756 1.00 0.00 C ATOM 299 CD2 LEU C 20 3.465 -3.278 -0.292 1.00 0.00 C ATOM 0 H LEU C 20 2.674 -7.343 -0.060 1.00 0.00 H new ATOM 0 HA LEU C 20 4.996 -5.629 -0.092 1.00 0.00 H new ATOM 0 HB2 LEU C 20 2.546 -5.923 1.677 1.00 0.00 H new ATOM 0 HB3 LEU C 20 3.766 -4.685 1.905 1.00 0.00 H new ATOM 0 HG LEU C 20 2.282 -5.009 -0.710 1.00 0.00 H new ATOM 0 HD11 LEU C 20 0.773 -3.216 0.024 1.00 0.00 H new ATOM 0 HD12 LEU C 20 0.608 -4.676 1.028 1.00 0.00 H new ATOM 0 HD13 LEU C 20 1.505 -3.269 1.645 1.00 0.00 H new ATOM 0 HD21 LEU C 20 2.935 -2.643 -1.002 1.00 0.00 H new ATOM 0 HD22 LEU C 20 3.764 -2.686 0.573 1.00 0.00 H new ATOM 0 HD23 LEU C 20 4.351 -3.695 -0.770 1.00 0.00 H new ATOM 311 N ASN C 21 4.649 -7.960 2.183 1.00 0.00 N ATOM 312 CA ASN C 21 5.388 -8.723 3.179 1.00 0.00 C ATOM 313 C ASN C 21 6.109 -9.898 2.509 1.00 0.00 C ATOM 314 O ASN C 21 5.610 -11.023 2.510 1.00 0.00 O ATOM 315 CB ASN C 21 4.441 -9.230 4.276 1.00 0.00 C ATOM 316 CG ASN C 21 3.930 -8.118 5.180 1.00 0.00 C ATOM 317 OD1 ASN C 21 4.537 -7.811 6.206 1.00 0.00 O ATOM 318 ND2 ASN C 21 2.810 -7.507 4.814 1.00 0.00 N ATOM 0 H ASN C 21 3.713 -8.316 1.987 1.00 0.00 H new ATOM 0 HA ASN C 21 6.131 -8.072 3.641 1.00 0.00 H new ATOM 0 HB2 ASN C 21 3.592 -9.733 3.812 1.00 0.00 H new ATOM 0 HB3 ASN C 21 4.960 -9.973 4.881 1.00 0.00 H new ATOM 0 HD21 ASN C 21 2.427 -6.757 5.390 1.00 0.00 H new ATOM 0 HD22 ASN C 21 2.333 -7.787 3.957 1.00 0.00 H new ATOM 325 N LYS C 22 7.282 -9.627 1.932 1.00 0.00 N ATOM 326 CA LYS C 22 8.005 -10.633 1.144 1.00 0.00 C ATOM 327 C LYS C 22 9.404 -10.943 1.685 1.00 0.00 C ATOM 328 O LYS C 22 10.074 -11.841 1.179 1.00 0.00 O ATOM 329 CB LYS C 22 8.105 -10.201 -0.328 1.00 0.00 C ATOM 330 CG LYS C 22 8.235 -8.695 -0.543 1.00 0.00 C ATOM 331 CD LYS C 22 9.548 -8.118 -0.020 1.00 0.00 C ATOM 332 CE LYS C 22 9.284 -6.892 0.838 1.00 0.00 C ATOM 333 NZ LYS C 22 8.258 -6.016 0.221 1.00 0.00 N1+ ATOM 0 H LYS C 22 7.752 -8.724 1.994 1.00 0.00 H new ATOM 0 HA LYS C 22 7.421 -11.550 1.225 1.00 0.00 H new ATOM 0 HB2 LYS C 22 8.966 -10.694 -0.780 1.00 0.00 H new ATOM 0 HB3 LYS C 22 7.220 -10.555 -0.857 1.00 0.00 H new ATOM 0 HG2 LYS C 22 8.151 -8.479 -1.608 1.00 0.00 H new ATOM 0 HG3 LYS C 22 7.404 -8.192 -0.049 1.00 0.00 H new ATOM 0 HD2 LYS C 22 10.076 -8.871 0.564 1.00 0.00 H new ATOM 0 HD3 LYS C 22 10.194 -7.852 -0.856 1.00 0.00 H new ATOM 0 HE2 LYS C 22 8.952 -7.203 1.829 1.00 0.00 H new ATOM 0 HE3 LYS C 22 10.210 -6.333 0.973 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 8.367 -5.047 0.582 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 8.377 -6.016 -0.812 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 7.310 -6.370 0.460 1.00 0.00 H new ATOM 347 N GLY C 23 9.848 -10.214 2.695 1.00 0.00 N ATOM 348 CA GLY C 23 11.186 -10.429 3.219 1.00 0.00 C ATOM 349 C GLY C 23 11.743 -9.184 3.864 1.00 0.00 C ATOM 350 O GLY C 23 11.805 -9.090 5.085 1.00 0.00 O ATOM 0 H GLY C 23 9.313 -9.481 3.161 1.00 0.00 H new ATOM 0 HA2 GLY C 23 11.164 -11.238 3.949 1.00 0.00 H new ATOM 0 HA3 GLY C 23 11.846 -10.746 2.411 1.00 0.00 H new ATOM 354 N LYS C 24 12.162 -8.231 3.045 1.00 0.00 N ATOM 355 CA LYS C 24 12.558 -6.926 3.527 1.00 0.00 C ATOM 356 C LYS C 24 11.322 -6.030 3.604 1.00 0.00 C ATOM 357 O LYS C 24 10.205 -6.542 3.718 1.00 0.00 O ATOM 358 CB LYS C 24 13.604 -6.321 2.603 1.00 0.00 C ATOM 359 CG LYS C 24 14.630 -5.479 3.329 1.00 0.00 C ATOM 360 CD LYS C 24 15.569 -4.828 2.345 1.00 0.00 C ATOM 361 CE LYS C 24 16.689 -5.759 1.918 1.00 0.00 C ATOM 362 NZ LYS C 24 17.687 -5.060 1.069 1.00 0.00 N1+ ATOM 0 H LYS C 24 12.235 -8.344 2.034 1.00 0.00 H new ATOM 0 HA LYS C 24 12.998 -7.017 4.520 1.00 0.00 H new ATOM 0 HB2 LYS C 24 14.114 -7.123 2.069 1.00 0.00 H new ATOM 0 HB3 LYS C 24 13.105 -5.707 1.854 1.00 0.00 H new ATOM 0 HG2 LYS C 24 14.128 -4.715 3.922 1.00 0.00 H new ATOM 0 HG3 LYS C 24 15.195 -6.101 4.023 1.00 0.00 H new ATOM 0 HD2 LYS C 24 15.008 -4.510 1.466 1.00 0.00 H new ATOM 0 HD3 LYS C 24 15.996 -3.930 2.792 1.00 0.00 H new ATOM 0 HE2 LYS C 24 17.182 -6.165 2.801 1.00 0.00 H new ATOM 0 HE3 LYS C 24 16.272 -6.604 1.370 1.00 0.00 H new ATOM 0 HZ1 LYS C 24 18.511 -5.677 0.922 1.00 0.00 H new ATOM 0 HZ2 LYS C 24 17.259 -4.828 0.150 1.00 0.00 H new ATOM 0 HZ3 LYS C 24 17.991 -4.184 1.540 1.00 0.00 H new ATOM 376 N GLY C 25 11.551 -4.716 3.559 1.00 0.00 N ATOM 377 CA GLY C 25 10.504 -3.699 3.634 1.00 0.00 C ATOM 378 C GLY C 25 9.117 -4.160 3.334 1.00 0.00 C ATOM 379 O GLY C 25 8.751 -4.379 2.187 1.00 0.00 O ATOM 0 H GLY C 25 12.488 -4.323 3.468 1.00 0.00 H new ATOM 0 HA2 GLY C 25 10.514 -3.270 4.636 1.00 0.00 H new ATOM 0 HA3 GLY C 25 10.756 -2.896 2.941 1.00 0.00 H new ATOM 383 N LYS C 26 8.332 -4.258 4.377 1.00 0.00 N ATOM 384 CA LYS C 26 6.992 -4.774 4.263 1.00 0.00 C ATOM 385 C LYS C 26 5.974 -3.699 4.567 1.00 0.00 C ATOM 386 O LYS C 26 6.329 -2.607 5.006 1.00 0.00 O ATOM 387 CB LYS C 26 6.836 -5.970 5.181 1.00 0.00 C ATOM 388 CG LYS C 26 7.303 -5.725 6.602 1.00 0.00 C ATOM 389 CD LYS C 26 7.999 -6.959 7.131 1.00 0.00 C ATOM 390 CE LYS C 26 9.448 -6.987 6.683 1.00 0.00 C ATOM 391 NZ LYS C 26 10.064 -8.318 6.907 1.00 0.00 N1+ ATOM 0 H LYS C 26 8.601 -3.985 5.322 1.00 0.00 H new ATOM 0 HA LYS C 26 6.814 -5.099 3.238 1.00 0.00 H new ATOM 0 HB2 LYS C 26 5.787 -6.265 5.201 1.00 0.00 H new ATOM 0 HB3 LYS C 26 7.395 -6.808 4.766 1.00 0.00 H new ATOM 0 HG2 LYS C 26 7.982 -4.873 6.630 1.00 0.00 H new ATOM 0 HG3 LYS C 26 6.452 -5.476 7.236 1.00 0.00 H new ATOM 0 HD2 LYS C 26 7.949 -6.973 8.220 1.00 0.00 H new ATOM 0 HD3 LYS C 26 7.486 -7.853 6.777 1.00 0.00 H new ATOM 0 HE2 LYS C 26 9.507 -6.732 5.625 1.00 0.00 H new ATOM 0 HE3 LYS C 26 10.012 -6.229 7.226 1.00 0.00 H new ATOM 0 HZ1 LYS C 26 11.038 -8.315 6.543 1.00 0.00 H new ATOM 0 HZ2 LYS C 26 10.076 -8.528 7.925 1.00 0.00 H new ATOM 0 HZ3 LYS C 26 9.511 -9.045 6.410 1.00 0.00 H new ATOM 405 N LEU C 27 4.717 -4.007 4.330 1.00 0.00 N ATOM 406 CA LEU C 27 3.668 -3.020 4.444 1.00 0.00 C ATOM 407 C LEU C 27 2.337 -3.725 4.689 1.00 0.00 C ATOM 408 O LEU C 27 1.870 -4.497 3.857 1.00 0.00 O ATOM 409 CB LEU C 27 3.633 -2.187 3.152 1.00 0.00 C ATOM 410 CG LEU C 27 3.018 -0.787 3.247 1.00 0.00 C ATOM 411 CD1 LEU C 27 3.163 -0.063 1.917 1.00 0.00 C ATOM 412 CD2 LEU C 27 1.559 -0.855 3.643 1.00 0.00 C ATOM 0 H LEU C 27 4.397 -4.936 4.056 1.00 0.00 H new ATOM 0 HA LEU C 27 3.855 -2.352 5.284 1.00 0.00 H new ATOM 0 HB2 LEU C 27 4.655 -2.085 2.786 1.00 0.00 H new ATOM 0 HB3 LEU C 27 3.080 -2.750 2.400 1.00 0.00 H new ATOM 0 HG LEU C 27 3.553 -0.234 4.019 1.00 0.00 H new ATOM 0 HD11 LEU C 27 2.723 0.931 1.994 1.00 0.00 H new ATOM 0 HD12 LEU C 27 4.220 0.026 1.665 1.00 0.00 H new ATOM 0 HD13 LEU C 27 2.650 -0.627 1.138 1.00 0.00 H new ATOM 0 HD21 LEU C 27 1.151 0.154 3.702 1.00 0.00 H new ATOM 0 HD22 LEU C 27 1.006 -1.427 2.898 1.00 0.00 H new ATOM 0 HD23 LEU C 27 1.468 -1.341 4.615 1.00 0.00 H new ATOM 424 N SER C 28 1.758 -3.490 5.850 1.00 0.00 N ATOM 425 CA SER C 28 0.447 -4.033 6.165 1.00 0.00 C ATOM 426 C SER C 28 -0.638 -3.015 5.822 1.00 0.00 C ATOM 427 O SER C 28 -0.574 -1.862 6.249 1.00 0.00 O ATOM 428 CB SER C 28 0.377 -4.406 7.642 1.00 0.00 C ATOM 429 OG SER C 28 1.323 -5.416 7.956 1.00 0.00 O ATOM 0 H SER C 28 2.173 -2.927 6.592 1.00 0.00 H new ATOM 0 HA SER C 28 0.283 -4.931 5.570 1.00 0.00 H new ATOM 0 HB2 SER C 28 0.565 -3.523 8.253 1.00 0.00 H new ATOM 0 HB3 SER C 28 -0.627 -4.754 7.886 1.00 0.00 H new ATOM 0 HG SER C 28 1.261 -5.638 8.909 1.00 0.00 H new ATOM 435 N LEU C 29 -1.623 -3.443 5.047 1.00 0.00 N ATOM 436 CA LEU C 29 -2.681 -2.550 4.590 1.00 0.00 C ATOM 437 C LEU C 29 -3.915 -2.659 5.446 1.00 0.00 C ATOM 438 O LEU C 29 -4.300 -3.751 5.866 1.00 0.00 O ATOM 439 CB LEU C 29 -3.052 -2.859 3.139 1.00 0.00 C ATOM 440 CG LEU C 29 -1.933 -2.648 2.126 1.00 0.00 C ATOM 441 CD1 LEU C 29 -2.417 -2.961 0.725 1.00 0.00 C ATOM 442 CD2 LEU C 29 -1.423 -1.227 2.198 1.00 0.00 C ATOM 0 H LEU C 29 -1.713 -4.405 4.720 1.00 0.00 H new ATOM 0 HA LEU C 29 -2.295 -1.533 4.667 1.00 0.00 H new ATOM 0 HB2 LEU C 29 -3.385 -3.895 3.078 1.00 0.00 H new ATOM 0 HB3 LEU C 29 -3.899 -2.235 2.856 1.00 0.00 H new ATOM 0 HG LEU C 29 -1.116 -3.327 2.368 1.00 0.00 H new ATOM 0 HD11 LEU C 29 -1.604 -2.804 0.016 1.00 0.00 H new ATOM 0 HD12 LEU C 29 -2.746 -3.999 0.677 1.00 0.00 H new ATOM 0 HD13 LEU C 29 -3.250 -2.305 0.473 1.00 0.00 H new ATOM 0 HD21 LEU C 29 -0.624 -1.090 1.469 1.00 0.00 H new ATOM 0 HD22 LEU C 29 -2.237 -0.537 1.978 1.00 0.00 H new ATOM 0 HD23 LEU C 29 -1.039 -1.028 3.199 1.00 0.00 H new ATOM 454 N SER C 30 -4.518 -1.518 5.730 1.00 0.00 N ATOM 455 CA SER C 30 -5.829 -1.501 6.320 1.00 0.00 C ATOM 456 C SER C 30 -6.590 -0.266 5.853 1.00 0.00 C ATOM 457 O SER C 30 -6.088 0.859 5.944 1.00 0.00 O ATOM 458 CB SER C 30 -5.734 -1.545 7.846 1.00 0.00 C ATOM 459 OG SER C 30 -4.940 -2.643 8.271 1.00 0.00 O ATOM 0 H SER C 30 -4.115 -0.597 5.559 1.00 0.00 H new ATOM 0 HA SER C 30 -6.375 -2.387 5.997 1.00 0.00 H new ATOM 0 HB2 SER C 30 -5.303 -0.614 8.215 1.00 0.00 H new ATOM 0 HB3 SER C 30 -6.733 -1.625 8.275 1.00 0.00 H new ATOM 0 HG SER C 30 -4.891 -2.652 9.250 1.00 0.00 H new ATOM 465 N MET C 31 -7.795 -0.485 5.347 1.00 0.00 N ATOM 466 CA MET C 31 -8.603 0.582 4.778 1.00 0.00 C ATOM 467 C MET C 31 -9.873 0.755 5.588 1.00 0.00 C ATOM 468 O MET C 31 -10.533 -0.229 5.924 1.00 0.00 O ATOM 469 CB MET C 31 -8.982 0.262 3.323 1.00 0.00 C ATOM 470 CG MET C 31 -7.814 0.197 2.344 1.00 0.00 C ATOM 471 SD MET C 31 -6.664 -1.163 2.659 1.00 0.00 S ATOM 472 CE MET C 31 -7.764 -2.573 2.586 1.00 0.00 C ATOM 0 H MET C 31 -8.238 -1.403 5.320 1.00 0.00 H new ATOM 0 HA MET C 31 -8.016 1.500 4.801 1.00 0.00 H new ATOM 0 HB2 MET C 31 -9.505 -0.694 3.303 1.00 0.00 H new ATOM 0 HB3 MET C 31 -9.686 1.018 2.974 1.00 0.00 H new ATOM 0 HG2 MET C 31 -8.207 0.100 1.332 1.00 0.00 H new ATOM 0 HG3 MET C 31 -7.267 1.139 2.385 1.00 0.00 H new ATOM 0 HE1 MET C 31 -7.178 -3.492 2.584 1.00 0.00 H new ATOM 0 HE2 MET C 31 -8.424 -2.565 3.454 1.00 0.00 H new ATOM 0 HE3 MET C 31 -8.361 -2.522 1.676 1.00 0.00 H new ATOM 482 N ASN C 32 -10.211 1.988 5.922 1.00 0.00 N ATOM 483 CA ASN C 32 -11.447 2.250 6.640 1.00 0.00 C ATOM 484 C ASN C 32 -12.026 3.615 6.284 1.00 0.00 C ATOM 485 O ASN C 32 -11.712 4.623 6.911 1.00 0.00 O ATOM 486 CB ASN C 32 -11.235 2.111 8.157 1.00 0.00 C ATOM 487 CG ASN C 32 -10.100 2.961 8.706 1.00 0.00 C ATOM 488 OD1 ASN C 32 -8.930 2.581 8.629 1.00 0.00 O ATOM 489 ND2 ASN C 32 -10.439 4.092 9.301 1.00 0.00 N ATOM 0 H ASN C 32 -9.654 2.816 5.711 1.00 0.00 H new ATOM 0 HA ASN C 32 -12.176 1.502 6.330 1.00 0.00 H new ATOM 0 HB2 ASN C 32 -12.158 2.383 8.668 1.00 0.00 H new ATOM 0 HB3 ASN C 32 -11.037 1.065 8.391 1.00 0.00 H new ATOM 0 HD21 ASN C 32 -9.721 4.685 9.717 1.00 0.00 H new ATOM 0 HD22 ASN C 32 -11.419 4.372 9.344 1.00 0.00 H new ATOM 496 N GLY C 33 -12.871 3.627 5.258 1.00 0.00 N ATOM 497 CA GLY C 33 -13.615 4.823 4.896 1.00 0.00 C ATOM 498 C GLY C 33 -12.729 6.016 4.576 1.00 0.00 C ATOM 499 O GLY C 33 -12.287 6.180 3.440 1.00 0.00 O ATOM 0 H GLY C 33 -13.056 2.819 4.663 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -14.241 4.604 4.031 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -14.284 5.087 5.715 1.00 0.00 H new ATOM 503 N ASN C 34 -12.470 6.852 5.575 1.00 0.00 N ATOM 504 CA ASN C 34 -11.689 8.062 5.376 1.00 0.00 C ATOM 505 C ASN C 34 -10.288 7.897 5.963 1.00 0.00 C ATOM 506 O ASN C 34 -9.686 8.852 6.456 1.00 0.00 O ATOM 507 CB ASN C 34 -12.395 9.275 5.996 1.00 0.00 C ATOM 508 CG ASN C 34 -11.964 10.601 5.381 1.00 0.00 C ATOM 509 OD1 ASN C 34 -10.732 10.682 4.904 1.00 0.00 O flip ATOM 510 ND2 ASN C 34 -12.738 11.555 5.335 1.00 0.00 N flip ATOM 0 H ASN C 34 -12.792 6.711 6.533 1.00 0.00 H new ATOM 0 HA ASN C 34 -11.596 8.235 4.304 1.00 0.00 H new ATOM 0 HB2 ASN C 34 -13.472 9.160 5.877 1.00 0.00 H new ATOM 0 HB3 ASN C 34 -12.193 9.296 7.067 1.00 0.00 H new ATOM 0 HD21 ASN C 34 -13.682 11.464 5.710 1.00 0.00 H new ATOM 0 HD22 ASN C 34 -12.436 12.437 4.921 1.00 0.00 H new ATOM 517 N GLN C 35 -9.767 6.685 5.927 1.00 0.00 N ATOM 518 CA GLN C 35 -8.421 6.452 6.405 1.00 0.00 C ATOM 519 C GLN C 35 -7.729 5.301 5.686 1.00 0.00 C ATOM 520 O GLN C 35 -8.345 4.286 5.353 1.00 0.00 O ATOM 521 CB GLN C 35 -8.418 6.173 7.903 1.00 0.00 C ATOM 522 CG GLN C 35 -7.029 5.891 8.442 1.00 0.00 C ATOM 523 CD GLN C 35 -7.030 5.579 9.923 1.00 0.00 C ATOM 524 OE1 GLN C 35 -7.147 4.423 10.330 1.00 0.00 O ATOM 525 NE2 GLN C 35 -6.906 6.610 10.740 1.00 0.00 N ATOM 0 H GLN C 35 -10.249 5.857 5.576 1.00 0.00 H new ATOM 0 HA GLN C 35 -7.865 7.365 6.193 1.00 0.00 H new ATOM 0 HB2 GLN C 35 -8.841 7.029 8.429 1.00 0.00 H new ATOM 0 HB3 GLN C 35 -9.064 5.320 8.111 1.00 0.00 H new ATOM 0 HG2 GLN C 35 -6.596 5.051 7.898 1.00 0.00 H new ATOM 0 HG3 GLN C 35 -6.390 6.754 8.257 1.00 0.00 H new ATOM 0 HE21 GLN C 35 -6.811 7.552 10.361 1.00 0.00 H new ATOM 0 HE22 GLN C 35 -6.905 6.464 11.749 1.00 0.00 H new ATOM 534 N LEU C 36 -6.441 5.500 5.451 1.00 0.00 N ATOM 535 CA LEU C 36 -5.541 4.442 5.038 1.00 0.00 C ATOM 536 C LEU C 36 -4.413 4.388 6.059 1.00 0.00 C ATOM 537 O LEU C 36 -3.678 5.363 6.224 1.00 0.00 O ATOM 538 CB LEU C 36 -4.989 4.725 3.627 1.00 0.00 C ATOM 539 CG LEU C 36 -4.198 3.589 2.944 1.00 0.00 C ATOM 540 CD1 LEU C 36 -2.850 3.347 3.611 1.00 0.00 C ATOM 541 CD2 LEU C 36 -5.009 2.306 2.926 1.00 0.00 C ATOM 0 H LEU C 36 -5.990 6.410 5.543 1.00 0.00 H new ATOM 0 HA LEU C 36 -6.062 3.485 4.994 1.00 0.00 H new ATOM 0 HB2 LEU C 36 -5.827 4.990 2.982 1.00 0.00 H new ATOM 0 HB3 LEU C 36 -4.342 5.601 3.685 1.00 0.00 H new ATOM 0 HG LEU C 36 -4.007 3.906 1.919 1.00 0.00 H new ATOM 0 HD11 LEU C 36 -2.329 2.539 3.097 1.00 0.00 H new ATOM 0 HD12 LEU C 36 -2.250 4.256 3.560 1.00 0.00 H new ATOM 0 HD13 LEU C 36 -3.004 3.073 4.655 1.00 0.00 H new ATOM 0 HD21 LEU C 36 -4.433 1.518 2.440 1.00 0.00 H new ATOM 0 HD22 LEU C 36 -5.241 2.008 3.948 1.00 0.00 H new ATOM 0 HD23 LEU C 36 -5.936 2.469 2.376 1.00 0.00 H new ATOM 553 N LYS C 37 -4.292 3.276 6.761 1.00 0.00 N ATOM 554 CA LYS C 37 -3.252 3.133 7.767 1.00 0.00 C ATOM 555 C LYS C 37 -2.410 1.914 7.449 1.00 0.00 C ATOM 556 O LYS C 37 -2.917 0.904 6.952 1.00 0.00 O ATOM 557 CB LYS C 37 -3.846 3.029 9.176 1.00 0.00 C ATOM 558 CG LYS C 37 -4.912 1.956 9.333 1.00 0.00 C ATOM 559 CD LYS C 37 -5.214 1.696 10.800 1.00 0.00 C ATOM 560 CE LYS C 37 -6.404 0.765 10.983 1.00 0.00 C ATOM 561 NZ LYS C 37 -7.698 1.454 10.736 1.00 0.00 N1+ ATOM 0 H LYS C 37 -4.897 2.462 6.655 1.00 0.00 H new ATOM 0 HA LYS C 37 -2.623 4.023 7.747 1.00 0.00 H new ATOM 0 HB2 LYS C 37 -3.040 2.829 9.882 1.00 0.00 H new ATOM 0 HB3 LYS C 37 -4.276 3.993 9.447 1.00 0.00 H new ATOM 0 HG2 LYS C 37 -5.823 2.266 8.820 1.00 0.00 H new ATOM 0 HG3 LYS C 37 -4.577 1.034 8.858 1.00 0.00 H new ATOM 0 HD2 LYS C 37 -4.337 1.261 11.279 1.00 0.00 H new ATOM 0 HD3 LYS C 37 -5.414 2.643 11.302 1.00 0.00 H new ATOM 0 HE2 LYS C 37 -6.309 -0.081 10.303 1.00 0.00 H new ATOM 0 HE3 LYS C 37 -6.396 0.362 11.996 1.00 0.00 H new ATOM 0 HZ1 LYS C 37 -8.478 0.867 11.095 1.00 0.00 H new ATOM 0 HZ2 LYS C 37 -7.701 2.372 11.225 1.00 0.00 H new ATOM 0 HZ3 LYS C 37 -7.821 1.606 9.715 1.00 0.00 H new ATOM 575 N ALA C 38 -1.128 2.009 7.732 1.00 0.00 N ATOM 576 CA ALA C 38 -0.193 0.978 7.340 1.00 0.00 C ATOM 577 C ALA C 38 0.914 0.820 8.362 1.00 0.00 C ATOM 578 O ALA C 38 1.067 1.647 9.263 1.00 0.00 O ATOM 579 CB ALA C 38 0.393 1.313 5.981 1.00 0.00 C ATOM 0 H ALA C 38 -0.709 2.792 8.234 1.00 0.00 H new ATOM 0 HA ALA C 38 -0.730 0.031 7.283 1.00 0.00 H new ATOM 0 HB1 ALA C 38 1.098 0.535 5.687 1.00 0.00 H new ATOM 0 HB2 ALA C 38 -0.408 1.374 5.244 1.00 0.00 H new ATOM 0 HB3 ALA C 38 0.911 2.271 6.034 1.00 0.00 H new ATOM 585 N THR C 39 1.666 -0.257 8.224 1.00 0.00 N ATOM 586 CA THR C 39 2.854 -0.479 9.023 1.00 0.00 C ATOM 587 C THR C 39 3.950 -1.069 8.148 1.00 0.00 C ATOM 588 O THR C 39 3.669 -1.862 7.248 1.00 0.00 O ATOM 589 CB THR C 39 2.593 -1.431 10.209 1.00 0.00 C ATOM 590 OG1 THR C 39 2.140 -2.697 9.722 1.00 0.00 O ATOM 591 CG2 THR C 39 1.565 -0.854 11.171 1.00 0.00 C ATOM 0 H THR C 39 1.469 -1.001 7.555 1.00 0.00 H new ATOM 0 HA THR C 39 3.159 0.486 9.429 1.00 0.00 H new ATOM 0 HB THR C 39 3.530 -1.557 10.752 1.00 0.00 H new ATOM 0 HG1 THR C 39 1.977 -3.299 10.478 1.00 0.00 H new ATOM 0 HG21 THR C 39 1.406 -1.551 11.994 1.00 0.00 H new ATOM 0 HG22 THR C 39 1.928 0.096 11.564 1.00 0.00 H new ATOM 0 HG23 THR C 39 0.624 -0.693 10.645 1.00 0.00 H new ATOM 599 N SER C 40 5.180 -0.674 8.402 1.00 0.00 N ATOM 600 CA SER C 40 6.322 -1.196 7.671 1.00 0.00 C ATOM 601 C SER C 40 7.365 -1.702 8.647 1.00 0.00 C ATOM 602 O SER C 40 7.912 -0.941 9.445 1.00 0.00 O ATOM 603 CB SER C 40 6.909 -0.112 6.774 1.00 0.00 C ATOM 604 OG SER C 40 5.965 0.289 5.795 1.00 0.00 O ATOM 0 H SER C 40 5.419 0.014 9.116 1.00 0.00 H new ATOM 0 HA SER C 40 5.999 -2.025 7.042 1.00 0.00 H new ATOM 0 HB2 SER C 40 7.203 0.747 7.377 1.00 0.00 H new ATOM 0 HB3 SER C 40 7.811 -0.484 6.287 1.00 0.00 H new ATOM 0 HG SER C 40 5.526 1.117 6.083 1.00 0.00 H new ATOM 610 N SER C 41 7.639 -2.990 8.586 1.00 0.00 N ATOM 611 CA SER C 41 8.595 -3.592 9.487 1.00 0.00 C ATOM 612 C SER C 41 9.939 -3.795 8.799 1.00 0.00 C ATOM 613 O SER C 41 10.083 -3.479 7.612 1.00 0.00 O ATOM 614 CB SER C 41 8.038 -4.897 10.052 1.00 0.00 C ATOM 615 OG SER C 41 6.882 -4.651 10.838 1.00 0.00 O ATOM 0 H SER C 41 7.213 -3.637 7.922 1.00 0.00 H new ATOM 0 HA SER C 41 8.766 -2.914 10.324 1.00 0.00 H new ATOM 0 HB2 SER C 41 7.791 -5.576 9.236 1.00 0.00 H new ATOM 0 HB3 SER C 41 8.798 -5.390 10.658 1.00 0.00 H new ATOM 0 HG SER C 41 6.539 -5.499 11.190 1.00 0.00 H new ATOM 621 N ASN C 42 10.896 -4.339 9.554 1.00 0.00 N ATOM 622 CA ASN C 42 12.312 -4.310 9.188 1.00 0.00 C ATOM 623 C ASN C 42 12.822 -2.888 9.300 1.00 0.00 C ATOM 624 O ASN C 42 13.484 -2.379 8.398 1.00 0.00 O ATOM 625 CB ASN C 42 12.590 -4.866 7.783 1.00 0.00 C ATOM 626 CG ASN C 42 12.807 -6.368 7.765 1.00 0.00 C ATOM 627 OD1 ASN C 42 12.514 -7.030 6.774 1.00 0.00 O ATOM 628 ND2 ASN C 42 13.335 -6.918 8.847 1.00 0.00 N ATOM 0 H ASN C 42 10.710 -4.813 10.438 1.00 0.00 H new ATOM 0 HA ASN C 42 12.841 -4.964 9.881 1.00 0.00 H new ATOM 0 HB2 ASN C 42 11.753 -4.619 7.130 1.00 0.00 H new ATOM 0 HB3 ASN C 42 13.471 -4.373 7.372 1.00 0.00 H new ATOM 0 HD21 ASN C 42 13.510 -7.922 8.875 1.00 0.00 H new ATOM 0 HD22 ASN C 42 13.566 -6.337 9.653 1.00 0.00 H new ATOM 635 N ALA C 43 12.457 -2.246 10.410 1.00 0.00 N ATOM 636 CA ALA C 43 12.889 -0.887 10.728 1.00 0.00 C ATOM 637 C ALA C 43 12.472 0.108 9.648 1.00 0.00 C ATOM 638 O ALA C 43 13.077 1.172 9.500 1.00 0.00 O ATOM 639 CB ALA C 43 14.391 -0.849 10.946 1.00 0.00 C ATOM 0 H ALA C 43 11.849 -2.658 11.118 1.00 0.00 H new ATOM 0 HA ALA C 43 12.392 -0.588 11.651 1.00 0.00 H new ATOM 0 HB1 ALA C 43 14.699 0.170 11.182 1.00 0.00 H new ATOM 0 HB2 ALA C 43 14.656 -1.509 11.772 1.00 0.00 H new ATOM 0 HB3 ALA C 43 14.899 -1.181 10.040 1.00 0.00 H new ATOM 645 N GLY C 44 11.434 -0.245 8.901 1.00 0.00 N ATOM 646 CA GLY C 44 10.930 0.630 7.864 1.00 0.00 C ATOM 647 C GLY C 44 11.880 0.763 6.689 1.00 0.00 C ATOM 648 O GLY C 44 11.801 1.734 5.937 1.00 0.00 O ATOM 0 H GLY C 44 10.931 -1.127 8.997 1.00 0.00 H new ATOM 0 HA2 GLY C 44 9.972 0.250 7.509 1.00 0.00 H new ATOM 0 HA3 GLY C 44 10.744 1.617 8.287 1.00 0.00 H new ATOM 652 N TYR C 45 12.776 -0.213 6.524 1.00 0.00 N ATOM 653 CA TYR C 45 13.719 -0.207 5.408 1.00 0.00 C ATOM 654 C TYR C 45 13.001 -0.410 4.078 1.00 0.00 C ATOM 655 O TYR C 45 11.776 -0.527 4.032 1.00 0.00 O ATOM 656 CB TYR C 45 14.802 -1.279 5.582 1.00 0.00 C ATOM 657 CG TYR C 45 15.961 -0.848 6.467 1.00 0.00 C ATOM 658 CD1 TYR C 45 16.848 0.129 6.033 1.00 0.00 C ATOM 659 CD2 TYR C 45 16.183 -1.419 7.719 1.00 0.00 C ATOM 660 CE1 TYR C 45 17.918 0.524 6.815 1.00 0.00 C ATOM 661 CE2 TYR C 45 17.248 -1.025 8.504 1.00 0.00 C ATOM 662 CZ TYR C 45 18.111 -0.055 8.048 1.00 0.00 C ATOM 663 OH TYR C 45 19.177 0.334 8.828 1.00 0.00 O ATOM 0 H TYR C 45 12.867 -1.015 7.148 1.00 0.00 H new ATOM 0 HA TYR C 45 14.199 0.772 5.402 1.00 0.00 H new ATOM 0 HB2 TYR C 45 14.348 -2.175 6.006 1.00 0.00 H new ATOM 0 HB3 TYR C 45 15.190 -1.552 4.601 1.00 0.00 H new ATOM 0 HD1 TYR C 45 16.699 0.589 5.067 1.00 0.00 H new ATOM 0 HD2 TYR C 45 15.510 -2.183 8.081 1.00 0.00 H new ATOM 0 HE1 TYR C 45 18.599 1.283 6.460 1.00 0.00 H new ATOM 0 HE2 TYR C 45 17.403 -1.477 9.473 1.00 0.00 H new ATOM 0 HH TYR C 45 19.169 -0.171 9.668 1.00 0.00 H new ATOM 673 N GLY C 46 13.766 -0.445 2.998 1.00 0.00 N ATOM 674 CA GLY C 46 13.181 -0.566 1.681 1.00 0.00 C ATOM 675 C GLY C 46 12.653 -1.946 1.394 1.00 0.00 C ATOM 676 O GLY C 46 13.041 -2.914 2.046 1.00 0.00 O ATOM 0 H GLY C 46 14.785 -0.392 3.011 1.00 0.00 H new ATOM 0 HA2 GLY C 46 12.369 0.155 1.583 1.00 0.00 H new ATOM 0 HA3 GLY C 46 13.930 -0.307 0.932 1.00 0.00 H new ATOM 680 N ILE C 47 11.754 -2.019 0.421 1.00 0.00 N ATOM 681 CA ILE C 47 11.166 -3.279 -0.013 1.00 0.00 C ATOM 682 C ILE C 47 12.230 -4.289 -0.334 1.00 0.00 C ATOM 683 O ILE C 47 12.266 -5.382 0.223 1.00 0.00 O ATOM 684 CB ILE C 47 10.373 -3.107 -1.304 1.00 0.00 C ATOM 685 CG1 ILE C 47 9.188 -2.147 -1.119 1.00 0.00 C ATOM 686 CG2 ILE C 47 9.939 -4.468 -1.827 1.00 0.00 C ATOM 687 CD1 ILE C 47 8.098 -2.680 -0.221 1.00 0.00 C ATOM 0 H ILE C 47 11.412 -1.205 -0.090 1.00 0.00 H new ATOM 0 HA ILE C 47 10.529 -3.608 0.808 1.00 0.00 H new ATOM 0 HB ILE C 47 11.018 -2.647 -2.053 1.00 0.00 H new ATOM 0 HG12 ILE C 47 9.556 -1.207 -0.707 1.00 0.00 H new ATOM 0 HG13 ILE C 47 8.761 -1.921 -2.096 1.00 0.00 H new ATOM 0 HG21 ILE C 47 9.373 -4.340 -2.749 1.00 0.00 H new ATOM 0 HG22 ILE C 47 10.819 -5.080 -2.024 1.00 0.00 H new ATOM 0 HG23 ILE C 47 9.313 -4.961 -1.083 1.00 0.00 H new ATOM 0 HD11 ILE C 47 7.299 -1.943 -0.142 1.00 0.00 H new ATOM 0 HD12 ILE C 47 7.700 -3.604 -0.641 1.00 0.00 H new ATOM 0 HD13 ILE C 47 8.507 -2.879 0.770 1.00 0.00 H new ATOM 699 N SER C 48 13.054 -3.927 -1.290 1.00 0.00 N ATOM 700 CA SER C 48 14.078 -4.807 -1.748 1.00 0.00 C ATOM 701 C SER C 48 15.383 -4.045 -1.902 1.00 0.00 C ATOM 702 O SER C 48 16.185 -4.023 -0.966 1.00 0.00 O ATOM 703 CB SER C 48 13.648 -5.495 -3.044 1.00 0.00 C ATOM 704 OG SER C 48 14.658 -6.356 -3.540 1.00 0.00 O ATOM 0 H SER C 48 13.026 -3.023 -1.761 1.00 0.00 H new ATOM 0 HA SER C 48 14.243 -5.593 -1.011 1.00 0.00 H new ATOM 0 HB2 SER C 48 12.737 -6.067 -2.868 1.00 0.00 H new ATOM 0 HB3 SER C 48 13.411 -4.741 -3.795 1.00 0.00 H new ATOM 0 HG SER C 48 14.945 -6.048 -4.425 1.00 0.00 H new ATOM 710 N TYR C 49 15.583 -3.388 -3.051 1.00 0.00 N ATOM 711 CA TYR C 49 16.789 -2.585 -3.255 1.00 0.00 C ATOM 712 C TYR C 49 16.840 -1.920 -4.634 1.00 0.00 C ATOM 713 O TYR C 49 17.532 -0.915 -4.813 1.00 0.00 O ATOM 714 CB TYR C 49 18.037 -3.443 -3.024 1.00 0.00 C ATOM 715 CG TYR C 49 18.345 -4.463 -4.119 1.00 0.00 C ATOM 716 CD1 TYR C 49 17.824 -5.755 -4.049 1.00 0.00 C ATOM 717 CD2 TYR C 49 19.168 -4.153 -5.210 1.00 0.00 C ATOM 718 CE1 TYR C 49 18.109 -6.695 -5.017 1.00 0.00 C ATOM 719 CE2 TYR C 49 19.449 -5.094 -6.180 1.00 0.00 C ATOM 720 CZ TYR C 49 18.920 -6.360 -6.078 1.00 0.00 C ATOM 721 OH TYR C 49 19.206 -7.301 -7.041 1.00 0.00 O ATOM 0 H TYR C 49 14.936 -3.397 -3.840 1.00 0.00 H new ATOM 0 HA TYR C 49 16.761 -1.777 -2.524 1.00 0.00 H new ATOM 0 HB2 TYR C 49 18.897 -2.782 -2.916 1.00 0.00 H new ATOM 0 HB3 TYR C 49 17.922 -3.974 -2.079 1.00 0.00 H new ATOM 0 HD1 TYR C 49 17.185 -6.024 -3.221 1.00 0.00 H new ATOM 0 HD2 TYR C 49 19.589 -3.162 -5.293 1.00 0.00 H new ATOM 0 HE1 TYR C 49 17.697 -7.691 -4.943 1.00 0.00 H new ATOM 0 HE2 TYR C 49 20.082 -4.837 -7.016 1.00 0.00 H new ATOM 0 HH TYR C 49 19.790 -6.906 -7.721 1.00 0.00 H new ATOM 731 N GLU C 50 16.122 -2.465 -5.604 1.00 0.00 N ATOM 732 CA GLU C 50 16.138 -1.918 -6.954 1.00 0.00 C ATOM 733 C GLU C 50 14.942 -1.007 -7.198 1.00 0.00 C ATOM 734 O GLU C 50 14.032 -0.908 -6.373 1.00 0.00 O ATOM 735 CB GLU C 50 16.173 -3.037 -7.992 1.00 0.00 C ATOM 736 CG GLU C 50 14.970 -3.955 -7.967 1.00 0.00 C ATOM 737 CD GLU C 50 14.991 -4.947 -6.825 1.00 0.00 C ATOM 738 OE1 GLU C 50 15.444 -6.089 -7.037 1.00 0.00 O ATOM 739 OE2 GLU C 50 14.542 -4.593 -5.718 1.00 0.00 O1- ATOM 0 H GLU C 50 15.523 -3.282 -5.484 1.00 0.00 H new ATOM 0 HA GLU C 50 17.044 -1.320 -7.056 1.00 0.00 H new ATOM 0 HB2 GLU C 50 16.254 -2.593 -8.984 1.00 0.00 H new ATOM 0 HB3 GLU C 50 17.072 -3.633 -7.835 1.00 0.00 H new ATOM 0 HG2 GLU C 50 14.064 -3.352 -7.898 1.00 0.00 H new ATOM 0 HG3 GLU C 50 14.919 -4.500 -8.910 1.00 0.00 H new ATOM 746 N ASP C 51 14.954 -0.345 -8.346 1.00 0.00 N ATOM 747 CA ASP C 51 13.967 0.678 -8.659 1.00 0.00 C ATOM 748 C ASP C 51 12.761 0.098 -9.371 1.00 0.00 C ATOM 749 O ASP C 51 12.832 -0.259 -10.548 1.00 0.00 O ATOM 750 CB ASP C 51 14.597 1.768 -9.524 1.00 0.00 C ATOM 751 CG ASP C 51 13.624 2.877 -9.850 1.00 0.00 C ATOM 752 OD1 ASP C 51 13.074 2.888 -10.972 1.00 0.00 O ATOM 753 OD2 ASP C 51 13.402 3.742 -8.981 1.00 0.00 O1- ATOM 0 H ASP C 51 15.643 -0.500 -9.082 1.00 0.00 H new ATOM 0 HA ASP C 51 13.628 1.105 -7.715 1.00 0.00 H new ATOM 0 HB2 ASP C 51 15.460 2.186 -9.006 1.00 0.00 H new ATOM 0 HB3 ASP C 51 14.964 1.326 -10.450 1.00 0.00 H new ATOM 758 N LYS C 52 11.651 0.016 -8.656 1.00 0.00 N ATOM 759 CA LYS C 52 10.420 -0.509 -9.222 1.00 0.00 C ATOM 760 C LYS C 52 9.315 0.525 -9.162 1.00 0.00 C ATOM 761 O LYS C 52 9.313 1.399 -8.294 1.00 0.00 O ATOM 762 CB LYS C 52 9.962 -1.758 -8.481 1.00 0.00 C ATOM 763 CG LYS C 52 11.007 -2.852 -8.404 1.00 0.00 C ATOM 764 CD LYS C 52 11.595 -3.140 -9.770 1.00 0.00 C ATOM 765 CE LYS C 52 12.268 -4.503 -9.824 1.00 0.00 C ATOM 766 NZ LYS C 52 11.318 -5.612 -9.545 1.00 0.00 N1+ ATOM 0 H LYS C 52 11.577 0.307 -7.681 1.00 0.00 H new ATOM 0 HA LYS C 52 10.628 -0.763 -10.261 1.00 0.00 H new ATOM 0 HB2 LYS C 52 9.669 -1.479 -7.469 1.00 0.00 H new ATOM 0 HB3 LYS C 52 9.073 -2.154 -8.973 1.00 0.00 H new ATOM 0 HG2 LYS C 52 11.800 -2.554 -7.718 1.00 0.00 H new ATOM 0 HG3 LYS C 52 10.559 -3.759 -7.998 1.00 0.00 H new ATOM 0 HD2 LYS C 52 10.806 -3.095 -10.521 1.00 0.00 H new ATOM 0 HD3 LYS C 52 12.321 -2.367 -10.023 1.00 0.00 H new ATOM 0 HE2 LYS C 52 12.713 -4.647 -10.809 1.00 0.00 H new ATOM 0 HE3 LYS C 52 13.081 -4.533 -9.099 1.00 0.00 H new ATOM 0 HZ1 LYS C 52 11.666 -6.487 -9.986 1.00 0.00 H new ATOM 0 HZ2 LYS C 52 11.238 -5.751 -8.517 1.00 0.00 H new ATOM 0 HZ3 LYS C 52 10.384 -5.375 -9.936 1.00 0.00 H new ATOM 780 N ASN C 53 8.368 0.389 -10.073 1.00 0.00 N ATOM 781 CA ASN C 53 7.234 1.296 -10.161 1.00 0.00 C ATOM 782 C ASN C 53 6.087 0.814 -9.295 1.00 0.00 C ATOM 783 O ASN C 53 5.359 -0.113 -9.649 1.00 0.00 O ATOM 784 CB ASN C 53 6.771 1.445 -11.613 1.00 0.00 C ATOM 785 CG ASN C 53 6.865 0.148 -12.401 1.00 0.00 C ATOM 786 OD1 ASN C 53 5.810 -0.647 -12.386 1.00 0.00 O flip ATOM 787 ND2 ASN C 53 7.891 -0.136 -13.020 1.00 0.00 N flip ATOM 0 H ASN C 53 8.362 -0.353 -10.773 1.00 0.00 H new ATOM 0 HA ASN C 53 7.557 2.271 -9.796 1.00 0.00 H new ATOM 0 HB2 ASN C 53 5.740 1.798 -11.626 1.00 0.00 H new ATOM 0 HB3 ASN C 53 7.375 2.208 -12.105 1.00 0.00 H new ATOM 0 HD21 ASN C 53 8.686 0.502 -13.009 1.00 0.00 H new ATOM 0 HD22 ASN C 53 7.945 -1.010 -13.544 1.00 0.00 H new ATOM 794 N TRP C 54 5.947 1.437 -8.149 1.00 0.00 N ATOM 795 CA TRP C 54 4.898 1.095 -7.222 1.00 0.00 C ATOM 796 C TRP C 54 3.795 2.130 -7.218 1.00 0.00 C ATOM 797 O TRP C 54 4.030 3.266 -7.609 1.00 0.00 O ATOM 798 CB TRP C 54 5.467 1.011 -5.840 1.00 0.00 C ATOM 799 CG TRP C 54 5.260 -0.327 -5.270 1.00 0.00 C ATOM 800 CD1 TRP C 54 6.083 -1.403 -5.303 1.00 0.00 C ATOM 801 CD2 TRP C 54 4.088 -0.720 -4.628 1.00 0.00 C ATOM 802 NE1 TRP C 54 5.471 -2.466 -4.670 1.00 0.00 N ATOM 803 CE2 TRP C 54 4.228 -2.057 -4.247 1.00 0.00 C ATOM 804 CE3 TRP C 54 2.931 -0.037 -4.337 1.00 0.00 C ATOM 805 CZ2 TRP C 54 3.214 -2.728 -3.573 1.00 0.00 C ATOM 806 CZ3 TRP C 54 1.943 -0.679 -3.686 1.00 0.00 C ATOM 807 CH2 TRP C 54 2.074 -2.018 -3.304 1.00 0.00 C ATOM 0 H TRP C 54 6.556 2.193 -7.835 1.00 0.00 H new ATOM 0 HA TRP C 54 4.479 0.138 -7.534 1.00 0.00 H new ATOM 0 HB2 TRP C 54 6.533 1.239 -5.866 1.00 0.00 H new ATOM 0 HB3 TRP C 54 4.997 1.759 -5.202 1.00 0.00 H new ATOM 0 HD1 TRP C 54 7.064 -1.425 -5.754 1.00 0.00 H new ATOM 0 HE1 TRP C 54 5.872 -3.395 -4.539 1.00 0.00 H new ATOM 0 HE3 TRP C 54 2.817 0.997 -4.626 1.00 0.00 H new ATOM 0 HZ2 TRP C 54 3.320 -3.761 -3.275 1.00 0.00 H new ATOM 0 HZ3 TRP C 54 1.031 -0.149 -3.454 1.00 0.00 H new ATOM 0 HH2 TRP C 54 1.259 -2.502 -2.786 1.00 0.00 H new ATOM 818 N GLY C 55 2.599 1.772 -6.747 1.00 0.00 N ATOM 819 CA GLY C 55 1.541 2.737 -6.783 1.00 0.00 C ATOM 820 C GLY C 55 0.397 2.517 -5.821 1.00 0.00 C ATOM 821 O GLY C 55 0.123 1.404 -5.384 1.00 0.00 O ATOM 0 H GLY C 55 2.361 0.860 -6.356 1.00 0.00 H new ATOM 0 HA2 GLY C 55 1.969 3.720 -6.586 1.00 0.00 H new ATOM 0 HA3 GLY C 55 1.136 2.762 -7.795 1.00 0.00 H new ATOM 825 N ILE C 56 -0.250 3.618 -5.476 1.00 0.00 N ATOM 826 CA ILE C 56 -1.462 3.602 -4.675 1.00 0.00 C ATOM 827 C ILE C 56 -2.606 4.251 -5.441 1.00 0.00 C ATOM 828 O ILE C 56 -2.482 5.381 -5.919 1.00 0.00 O ATOM 829 CB ILE C 56 -1.270 4.333 -3.329 1.00 0.00 C ATOM 830 CG1 ILE C 56 -0.302 3.559 -2.443 1.00 0.00 C ATOM 831 CG2 ILE C 56 -2.603 4.516 -2.613 1.00 0.00 C ATOM 832 CD1 ILE C 56 1.159 3.720 -2.806 1.00 0.00 C ATOM 0 H ILE C 56 0.053 4.554 -5.746 1.00 0.00 H new ATOM 0 HA ILE C 56 -1.699 2.559 -4.466 1.00 0.00 H new ATOM 0 HB ILE C 56 -0.854 5.319 -3.534 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -0.442 3.878 -1.410 1.00 0.00 H new ATOM 0 HG13 ILE C 56 -0.558 2.500 -2.487 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -2.440 5.033 -1.668 1.00 0.00 H new ATOM 0 HG22 ILE C 56 -3.274 5.105 -3.238 1.00 0.00 H new ATOM 0 HG23 ILE C 56 -3.050 3.540 -2.420 1.00 0.00 H new ATOM 0 HD11 ILE C 56 1.771 3.133 -2.121 1.00 0.00 H new ATOM 0 HD12 ILE C 56 1.321 3.372 -3.826 1.00 0.00 H new ATOM 0 HD13 ILE C 56 1.438 4.771 -2.732 1.00 0.00 H new ATOM 844 N PHE C 57 -3.713 3.536 -5.552 1.00 0.00 N ATOM 845 CA PHE C 57 -4.854 3.998 -6.323 1.00 0.00 C ATOM 846 C PHE C 57 -6.123 3.965 -5.482 1.00 0.00 C ATOM 847 O PHE C 57 -6.212 3.227 -4.503 1.00 0.00 O ATOM 848 CB PHE C 57 -5.040 3.119 -7.562 1.00 0.00 C ATOM 849 CG PHE C 57 -3.783 2.936 -8.363 1.00 0.00 C ATOM 850 CD1 PHE C 57 -2.907 1.901 -8.076 1.00 0.00 C ATOM 851 CD2 PHE C 57 -3.471 3.805 -9.391 1.00 0.00 C ATOM 852 CE1 PHE C 57 -1.744 1.739 -8.801 1.00 0.00 C ATOM 853 CE2 PHE C 57 -2.313 3.645 -10.122 1.00 0.00 C ATOM 854 CZ PHE C 57 -1.448 2.612 -9.826 1.00 0.00 C ATOM 0 H PHE C 57 -3.846 2.625 -5.113 1.00 0.00 H new ATOM 0 HA PHE C 57 -4.664 5.026 -6.631 1.00 0.00 H new ATOM 0 HB2 PHE C 57 -5.409 2.141 -7.252 1.00 0.00 H new ATOM 0 HB3 PHE C 57 -5.806 3.561 -8.199 1.00 0.00 H new ATOM 0 HD1 PHE C 57 -3.137 1.213 -7.276 1.00 0.00 H new ATOM 0 HD2 PHE C 57 -4.142 4.619 -9.624 1.00 0.00 H new ATOM 0 HE1 PHE C 57 -1.068 0.931 -8.566 1.00 0.00 H new ATOM 0 HE2 PHE C 57 -2.083 4.328 -10.926 1.00 0.00 H new ATOM 0 HZ PHE C 57 -0.540 2.487 -10.397 1.00 0.00 H new ATOM 864 N VAL C 58 -7.091 4.777 -5.863 1.00 0.00 N ATOM 865 CA VAL C 58 -8.403 4.755 -5.246 1.00 0.00 C ATOM 866 C VAL C 58 -9.474 5.084 -6.282 1.00 0.00 C ATOM 867 O VAL C 58 -9.514 6.187 -6.833 1.00 0.00 O ATOM 868 CB VAL C 58 -8.499 5.722 -4.039 1.00 0.00 C ATOM 869 CG1 VAL C 58 -8.147 7.150 -4.429 1.00 0.00 C ATOM 870 CG2 VAL C 58 -9.887 5.662 -3.423 1.00 0.00 C ATOM 0 H VAL C 58 -6.990 5.468 -6.606 1.00 0.00 H new ATOM 0 HA VAL C 58 -8.569 3.748 -4.863 1.00 0.00 H new ATOM 0 HB VAL C 58 -7.769 5.398 -3.297 1.00 0.00 H new ATOM 0 HG11 VAL C 58 -8.227 7.796 -3.555 1.00 0.00 H new ATOM 0 HG12 VAL C 58 -7.127 7.182 -4.812 1.00 0.00 H new ATOM 0 HG13 VAL C 58 -8.835 7.497 -5.200 1.00 0.00 H new ATOM 0 HG21 VAL C 58 -9.939 6.347 -2.576 1.00 0.00 H new ATOM 0 HG22 VAL C 58 -10.629 5.949 -4.168 1.00 0.00 H new ATOM 0 HG23 VAL C 58 -10.090 4.647 -3.082 1.00 0.00 H new ATOM 880 N ASN C 59 -10.313 4.097 -6.568 1.00 0.00 N ATOM 881 CA ASN C 59 -11.390 4.230 -7.548 1.00 0.00 C ATOM 882 C ASN C 59 -10.860 4.698 -8.905 1.00 0.00 C ATOM 883 O ASN C 59 -11.483 5.518 -9.575 1.00 0.00 O ATOM 884 CB ASN C 59 -12.482 5.188 -7.048 1.00 0.00 C ATOM 885 CG ASN C 59 -13.276 4.628 -5.880 1.00 0.00 C ATOM 886 OD1 ASN C 59 -12.751 3.898 -5.037 1.00 0.00 O ATOM 887 ND2 ASN C 59 -14.558 4.961 -5.827 1.00 0.00 N ATOM 0 H ASN C 59 -10.268 3.178 -6.127 1.00 0.00 H new ATOM 0 HA ASN C 59 -11.829 3.241 -7.676 1.00 0.00 H new ATOM 0 HB2 ASN C 59 -12.022 6.130 -6.749 1.00 0.00 H new ATOM 0 HB3 ASN C 59 -13.163 5.413 -7.868 1.00 0.00 H new ATOM 0 HD21 ASN C 59 -15.145 4.611 -5.070 1.00 0.00 H new ATOM 0 HD22 ASN C 59 -14.957 5.568 -6.543 1.00 0.00 H new ATOM 894 N GLY C 60 -9.700 4.181 -9.297 1.00 0.00 N ATOM 895 CA GLY C 60 -9.145 4.509 -10.598 1.00 0.00 C ATOM 896 C GLY C 60 -8.285 5.761 -10.587 1.00 0.00 C ATOM 897 O GLY C 60 -7.688 6.120 -11.602 1.00 0.00 O ATOM 0 H GLY C 60 -9.135 3.542 -8.738 1.00 0.00 H new ATOM 0 HA2 GLY C 60 -8.547 3.669 -10.952 1.00 0.00 H new ATOM 0 HA3 GLY C 60 -9.960 4.643 -11.309 1.00 0.00 H new ATOM 901 N GLU C 61 -8.210 6.424 -9.443 1.00 0.00 N ATOM 902 CA GLU C 61 -7.420 7.641 -9.320 1.00 0.00 C ATOM 903 C GLU C 61 -6.162 7.349 -8.514 1.00 0.00 C ATOM 904 O GLU C 61 -6.174 6.498 -7.630 1.00 0.00 O ATOM 905 CB GLU C 61 -8.252 8.734 -8.641 1.00 0.00 C ATOM 906 CG GLU C 61 -8.170 10.094 -9.324 1.00 0.00 C ATOM 907 CD GLU C 61 -6.804 10.738 -9.223 1.00 0.00 C ATOM 908 OE1 GLU C 61 -5.911 10.375 -10.018 1.00 0.00 O ATOM 909 OE2 GLU C 61 -6.622 11.619 -8.353 1.00 0.00 O1- ATOM 0 H GLU C 61 -8.686 6.141 -8.587 1.00 0.00 H new ATOM 0 HA GLU C 61 -7.131 7.992 -10.311 1.00 0.00 H new ATOM 0 HB2 GLU C 61 -9.294 8.417 -8.612 1.00 0.00 H new ATOM 0 HB3 GLU C 61 -7.921 8.838 -7.608 1.00 0.00 H new ATOM 0 HG2 GLU C 61 -8.433 9.980 -10.376 1.00 0.00 H new ATOM 0 HG3 GLU C 61 -8.911 10.760 -8.881 1.00 0.00 H new ATOM 916 N LYS C 62 -5.083 8.046 -8.820 1.00 0.00 N ATOM 917 CA LYS C 62 -3.803 7.783 -8.179 1.00 0.00 C ATOM 918 C LYS C 62 -3.627 8.655 -6.946 1.00 0.00 C ATOM 919 O LYS C 62 -3.971 9.835 -6.951 1.00 0.00 O ATOM 920 CB LYS C 62 -2.654 8.028 -9.156 1.00 0.00 C ATOM 921 CG LYS C 62 -2.675 7.107 -10.366 1.00 0.00 C ATOM 922 CD LYS C 62 -1.434 7.273 -11.233 1.00 0.00 C ATOM 923 CE LYS C 62 -0.177 6.837 -10.497 1.00 0.00 C ATOM 924 NZ LYS C 62 1.045 6.991 -11.328 1.00 0.00 N1+ ATOM 0 H LYS C 62 -5.065 8.799 -9.508 1.00 0.00 H new ATOM 0 HA LYS C 62 -3.790 6.737 -7.872 1.00 0.00 H new ATOM 0 HB2 LYS C 62 -2.693 9.063 -9.497 1.00 0.00 H new ATOM 0 HB3 LYS C 62 -1.708 7.901 -8.630 1.00 0.00 H new ATOM 0 HG2 LYS C 62 -2.748 6.072 -10.032 1.00 0.00 H new ATOM 0 HG3 LYS C 62 -3.564 7.313 -10.962 1.00 0.00 H new ATOM 0 HD2 LYS C 62 -1.545 6.686 -12.145 1.00 0.00 H new ATOM 0 HD3 LYS C 62 -1.337 8.316 -11.535 1.00 0.00 H new ATOM 0 HE2 LYS C 62 -0.070 7.425 -9.585 1.00 0.00 H new ATOM 0 HE3 LYS C 62 -0.279 5.795 -10.194 1.00 0.00 H new ATOM 0 HZ1 LYS C 62 1.888 6.912 -10.724 1.00 0.00 H new ATOM 0 HZ2 LYS C 62 1.068 6.246 -12.053 1.00 0.00 H new ATOM 0 HZ3 LYS C 62 1.036 7.923 -11.790 1.00 0.00 H new ATOM 938 N VAL C 63 -3.108 8.060 -5.883 1.00 0.00 N ATOM 939 CA VAL C 63 -2.813 8.797 -4.666 1.00 0.00 C ATOM 940 C VAL C 63 -1.317 9.042 -4.554 1.00 0.00 C ATOM 941 O VAL C 63 -0.875 10.170 -4.339 1.00 0.00 O ATOM 942 CB VAL C 63 -3.296 8.059 -3.412 1.00 0.00 C ATOM 943 CG1 VAL C 63 -3.171 8.945 -2.180 1.00 0.00 C ATOM 944 CG2 VAL C 63 -4.724 7.569 -3.585 1.00 0.00 C ATOM 0 H VAL C 63 -2.882 7.066 -5.840 1.00 0.00 H new ATOM 0 HA VAL C 63 -3.347 9.745 -4.728 1.00 0.00 H new ATOM 0 HB VAL C 63 -2.658 7.187 -3.268 1.00 0.00 H new ATOM 0 HG11 VAL C 63 -3.520 8.400 -1.303 1.00 0.00 H new ATOM 0 HG12 VAL C 63 -2.128 9.229 -2.040 1.00 0.00 H new ATOM 0 HG13 VAL C 63 -3.776 9.842 -2.314 1.00 0.00 H new ATOM 0 HG21 VAL C 63 -5.042 7.049 -2.681 1.00 0.00 H new ATOM 0 HG22 VAL C 63 -5.381 8.420 -3.765 1.00 0.00 H new ATOM 0 HG23 VAL C 63 -4.774 6.886 -4.433 1.00 0.00 H new ATOM 954 N TYR C 64 -0.536 7.979 -4.704 1.00 0.00 N ATOM 955 CA TYR C 64 0.911 8.092 -4.641 1.00 0.00 C ATOM 956 C TYR C 64 1.568 7.024 -5.509 1.00 0.00 C ATOM 957 O TYR C 64 0.995 5.963 -5.739 1.00 0.00 O ATOM 958 CB TYR C 64 1.385 7.955 -3.189 1.00 0.00 C ATOM 959 CG TYR C 64 2.773 8.503 -2.946 1.00 0.00 C ATOM 960 CD1 TYR C 64 2.950 9.826 -2.571 1.00 0.00 C ATOM 961 CD2 TYR C 64 3.903 7.707 -3.098 1.00 0.00 C ATOM 962 CE1 TYR C 64 4.210 10.342 -2.355 1.00 0.00 C ATOM 963 CE2 TYR C 64 5.169 8.216 -2.883 1.00 0.00 C ATOM 964 CZ TYR C 64 5.316 9.535 -2.512 1.00 0.00 C ATOM 965 OH TYR C 64 6.572 10.053 -2.290 1.00 0.00 O ATOM 0 H TYR C 64 -0.881 7.034 -4.869 1.00 0.00 H new ATOM 0 HA TYR C 64 1.201 9.073 -5.019 1.00 0.00 H new ATOM 0 HB2 TYR C 64 0.681 8.472 -2.537 1.00 0.00 H new ATOM 0 HB3 TYR C 64 1.366 6.902 -2.908 1.00 0.00 H new ATOM 0 HD1 TYR C 64 2.087 10.463 -2.446 1.00 0.00 H new ATOM 0 HD2 TYR C 64 3.789 6.673 -3.389 1.00 0.00 H new ATOM 0 HE1 TYR C 64 4.330 11.375 -2.064 1.00 0.00 H new ATOM 0 HE2 TYR C 64 6.037 7.585 -3.005 1.00 0.00 H new ATOM 0 HH TYR C 64 7.245 9.357 -2.442 1.00 0.00 H new ATOM 975 N THR C 65 2.758 7.322 -5.998 1.00 0.00 N ATOM 976 CA THR C 65 3.559 6.360 -6.738 1.00 0.00 C ATOM 977 C THR C 65 4.955 6.304 -6.120 1.00 0.00 C ATOM 978 O THR C 65 5.594 7.346 -5.956 1.00 0.00 O ATOM 979 CB THR C 65 3.671 6.772 -8.221 1.00 0.00 C ATOM 980 OG1 THR C 65 2.366 6.891 -8.794 1.00 0.00 O ATOM 981 CG2 THR C 65 4.488 5.777 -9.029 1.00 0.00 C ATOM 0 H THR C 65 3.197 8.237 -5.894 1.00 0.00 H new ATOM 0 HA THR C 65 3.081 5.382 -6.686 1.00 0.00 H new ATOM 0 HB THR C 65 4.184 7.733 -8.254 1.00 0.00 H new ATOM 0 HG1 THR C 65 2.232 7.807 -9.116 1.00 0.00 H new ATOM 0 HG21 THR C 65 4.541 6.107 -10.067 1.00 0.00 H new ATOM 0 HG22 THR C 65 5.495 5.714 -8.617 1.00 0.00 H new ATOM 0 HG23 THR C 65 4.015 4.796 -8.984 1.00 0.00 H new ATOM 989 N PHE C 66 5.434 5.119 -5.763 1.00 0.00 N ATOM 990 CA PHE C 66 6.719 5.032 -5.070 1.00 0.00 C ATOM 991 C PHE C 66 7.619 3.959 -5.668 1.00 0.00 C ATOM 992 O PHE C 66 7.254 3.306 -6.643 1.00 0.00 O ATOM 993 CB PHE C 66 6.524 4.847 -3.548 1.00 0.00 C ATOM 994 CG PHE C 66 6.213 3.460 -3.031 1.00 0.00 C ATOM 995 CD1 PHE C 66 4.901 3.050 -2.849 1.00 0.00 C ATOM 996 CD2 PHE C 66 7.234 2.602 -2.645 1.00 0.00 C ATOM 997 CE1 PHE C 66 4.617 1.813 -2.298 1.00 0.00 C ATOM 998 CE2 PHE C 66 6.956 1.360 -2.109 1.00 0.00 C ATOM 999 CZ PHE C 66 5.646 0.966 -1.930 1.00 0.00 C ATOM 0 H PHE C 66 4.970 4.227 -5.934 1.00 0.00 H new ATOM 0 HA PHE C 66 7.233 5.982 -5.217 1.00 0.00 H new ATOM 0 HB2 PHE C 66 7.431 5.192 -3.052 1.00 0.00 H new ATOM 0 HB3 PHE C 66 5.717 5.509 -3.233 1.00 0.00 H new ATOM 0 HD1 PHE C 66 4.092 3.703 -3.141 1.00 0.00 H new ATOM 0 HD2 PHE C 66 8.262 2.911 -2.766 1.00 0.00 H new ATOM 0 HE1 PHE C 66 3.591 1.509 -2.155 1.00 0.00 H new ATOM 0 HE2 PHE C 66 7.763 0.698 -1.830 1.00 0.00 H new ATOM 0 HZ PHE C 66 5.425 -0.001 -1.504 1.00 0.00 H new ATOM 1009 N ASN C 67 8.820 3.832 -5.119 1.00 0.00 N ATOM 1010 CA ASN C 67 9.799 2.878 -5.622 1.00 0.00 C ATOM 1011 C ASN C 67 10.213 1.904 -4.527 1.00 0.00 C ATOM 1012 O ASN C 67 10.370 2.288 -3.370 1.00 0.00 O ATOM 1013 CB ASN C 67 11.035 3.611 -6.154 1.00 0.00 C ATOM 1014 CG ASN C 67 10.686 4.682 -7.169 1.00 0.00 C ATOM 1015 OD1 ASN C 67 10.539 4.406 -8.358 1.00 0.00 O ATOM 1016 ND2 ASN C 67 10.553 5.915 -6.705 1.00 0.00 N ATOM 0 H ASN C 67 9.140 4.381 -4.321 1.00 0.00 H new ATOM 0 HA ASN C 67 9.338 2.318 -6.436 1.00 0.00 H new ATOM 0 HB2 ASN C 67 11.570 4.066 -5.320 1.00 0.00 H new ATOM 0 HB3 ASN C 67 11.712 2.889 -6.611 1.00 0.00 H new ATOM 0 HD21 ASN C 67 10.320 6.677 -7.342 1.00 0.00 H new ATOM 0 HD22 ASN C 67 10.683 6.103 -5.711 1.00 0.00 H new ATOM 1023 N GLU C 68 10.407 0.648 -4.912 1.00 0.00 N ATOM 1024 CA GLU C 68 10.726 -0.432 -3.967 1.00 0.00 C ATOM 1025 C GLU C 68 12.074 -0.267 -3.277 1.00 0.00 C ATOM 1026 O GLU C 68 12.381 -0.997 -2.334 1.00 0.00 O ATOM 1027 CB GLU C 68 10.697 -1.775 -4.683 1.00 0.00 C ATOM 1028 CG GLU C 68 9.387 -2.510 -4.508 1.00 0.00 C ATOM 1029 CD GLU C 68 9.210 -3.649 -5.482 1.00 0.00 C ATOM 1030 OE1 GLU C 68 9.895 -4.678 -5.321 1.00 0.00 O ATOM 1031 OE2 GLU C 68 8.381 -3.532 -6.401 1.00 0.00 O1- ATOM 0 H GLU C 68 10.349 0.343 -5.884 1.00 0.00 H new ATOM 0 HA GLU C 68 9.963 -0.386 -3.190 1.00 0.00 H new ATOM 0 HB2 GLU C 68 10.880 -1.618 -5.746 1.00 0.00 H new ATOM 0 HB3 GLU C 68 11.509 -2.398 -4.309 1.00 0.00 H new ATOM 0 HG2 GLU C 68 9.328 -2.898 -3.491 1.00 0.00 H new ATOM 0 HG3 GLU C 68 8.564 -1.806 -4.629 1.00 0.00 H new ATOM 1038 N LYS C 69 12.883 0.663 -3.741 1.00 0.00 N ATOM 1039 CA LYS C 69 14.172 0.896 -3.116 1.00 0.00 C ATOM 1040 C LYS C 69 14.065 2.011 -2.089 1.00 0.00 C ATOM 1041 O LYS C 69 15.031 2.334 -1.398 1.00 0.00 O ATOM 1042 CB LYS C 69 15.231 1.212 -4.167 1.00 0.00 C ATOM 1043 CG LYS C 69 14.984 2.487 -4.948 1.00 0.00 C ATOM 1044 CD LYS C 69 15.829 2.500 -6.210 1.00 0.00 C ATOM 1045 CE LYS C 69 16.104 3.905 -6.718 1.00 0.00 C ATOM 1046 NZ LYS C 69 14.861 4.660 -7.023 1.00 0.00 N1+ ATOM 0 H LYS C 69 12.676 1.264 -4.539 1.00 0.00 H new ATOM 0 HA LYS C 69 14.480 -0.013 -2.599 1.00 0.00 H new ATOM 0 HB2 LYS C 69 16.201 1.285 -3.676 1.00 0.00 H new ATOM 0 HB3 LYS C 69 15.290 0.378 -4.867 1.00 0.00 H new ATOM 0 HG2 LYS C 69 13.928 2.565 -5.208 1.00 0.00 H new ATOM 0 HG3 LYS C 69 15.225 3.353 -4.331 1.00 0.00 H new ATOM 0 HD2 LYS C 69 16.776 1.998 -6.013 1.00 0.00 H new ATOM 0 HD3 LYS C 69 15.321 1.930 -6.988 1.00 0.00 H new ATOM 0 HE2 LYS C 69 16.681 4.450 -5.971 1.00 0.00 H new ATOM 0 HE3 LYS C 69 16.719 3.848 -7.616 1.00 0.00 H new ATOM 0 HZ1 LYS C 69 15.106 5.564 -7.476 1.00 0.00 H new ATOM 0 HZ2 LYS C 69 14.264 4.101 -7.666 1.00 0.00 H new ATOM 0 HZ3 LYS C 69 14.341 4.844 -6.141 1.00 0.00 H new ATOM 1060 N SER C 70 12.878 2.590 -1.984 1.00 0.00 N ATOM 1061 CA SER C 70 12.616 3.590 -0.977 1.00 0.00 C ATOM 1062 C SER C 70 12.145 2.894 0.294 1.00 0.00 C ATOM 1063 O SER C 70 11.656 1.763 0.239 1.00 0.00 O ATOM 1064 CB SER C 70 11.554 4.566 -1.476 1.00 0.00 C ATOM 1065 OG SER C 70 11.913 5.094 -2.743 1.00 0.00 O ATOM 0 H SER C 70 12.084 2.379 -2.588 1.00 0.00 H new ATOM 0 HA SER C 70 13.525 4.153 -0.767 1.00 0.00 H new ATOM 0 HB2 SER C 70 10.592 4.059 -1.547 1.00 0.00 H new ATOM 0 HB3 SER C 70 11.434 5.378 -0.759 1.00 0.00 H new ATOM 0 HG SER C 70 11.219 5.716 -3.047 1.00 0.00 H new ATOM 1071 N THR C 71 12.288 3.556 1.428 1.00 0.00 N ATOM 1072 CA THR C 71 11.904 2.975 2.685 1.00 0.00 C ATOM 1073 C THR C 71 10.397 3.026 2.823 1.00 0.00 C ATOM 1074 O THR C 71 9.804 4.104 2.916 1.00 0.00 O ATOM 1075 CB THR C 71 12.582 3.704 3.862 1.00 0.00 C ATOM 1076 OG1 THR C 71 12.371 5.121 3.761 1.00 0.00 O ATOM 1077 CG2 THR C 71 14.076 3.409 3.888 1.00 0.00 C ATOM 0 H THR C 71 12.670 4.500 1.496 1.00 0.00 H new ATOM 0 HA THR C 71 12.233 1.936 2.708 1.00 0.00 H new ATOM 0 HB THR C 71 12.135 3.341 4.788 1.00 0.00 H new ATOM 0 HG1 THR C 71 11.516 5.293 3.314 1.00 0.00 H new ATOM 0 HG21 THR C 71 14.536 3.933 4.726 1.00 0.00 H new ATOM 0 HG22 THR C 71 14.233 2.336 4.000 1.00 0.00 H new ATOM 0 HG23 THR C 71 14.530 3.746 2.956 1.00 0.00 H new ATOM 1085 N VAL C 72 9.780 1.852 2.815 1.00 0.00 N ATOM 1086 CA VAL C 72 8.331 1.749 2.877 1.00 0.00 C ATOM 1087 C VAL C 72 7.788 2.411 4.127 1.00 0.00 C ATOM 1088 O VAL C 72 6.610 2.710 4.199 1.00 0.00 O ATOM 1089 CB VAL C 72 7.825 0.288 2.835 1.00 0.00 C ATOM 1090 CG1 VAL C 72 6.982 0.052 1.608 1.00 0.00 C ATOM 1091 CG2 VAL C 72 8.960 -0.697 2.829 1.00 0.00 C ATOM 0 H VAL C 72 10.264 0.955 2.766 1.00 0.00 H new ATOM 0 HA VAL C 72 7.965 2.263 1.988 1.00 0.00 H new ATOM 0 HB VAL C 72 7.229 0.137 3.735 1.00 0.00 H new ATOM 0 HG11 VAL C 72 6.636 -0.982 1.598 1.00 0.00 H new ATOM 0 HG12 VAL C 72 6.123 0.722 1.623 1.00 0.00 H new ATOM 0 HG13 VAL C 72 7.577 0.245 0.715 1.00 0.00 H new ATOM 0 HG21 VAL C 72 8.562 -1.711 2.799 1.00 0.00 H new ATOM 0 HG22 VAL C 72 9.585 -0.527 1.952 1.00 0.00 H new ATOM 0 HG23 VAL C 72 9.558 -0.569 3.731 1.00 0.00 H new ATOM 1101 N GLY C 73 8.654 2.666 5.096 1.00 0.00 N ATOM 1102 CA GLY C 73 8.205 3.275 6.330 1.00 0.00 C ATOM 1103 C GLY C 73 7.953 4.755 6.170 1.00 0.00 C ATOM 1104 O GLY C 73 7.015 5.297 6.757 1.00 0.00 O ATOM 0 H GLY C 73 9.653 2.464 5.051 1.00 0.00 H new ATOM 0 HA2 GLY C 73 7.290 2.785 6.664 1.00 0.00 H new ATOM 0 HA3 GLY C 73 8.954 3.116 7.106 1.00 0.00 H new ATOM 1108 N ASN C 74 8.777 5.415 5.364 1.00 0.00 N ATOM 1109 CA ASN C 74 8.545 6.817 5.055 1.00 0.00 C ATOM 1110 C ASN C 74 7.429 6.930 4.038 1.00 0.00 C ATOM 1111 O ASN C 74 6.674 7.896 4.028 1.00 0.00 O ATOM 1112 CB ASN C 74 9.807 7.498 4.514 1.00 0.00 C ATOM 1113 CG ASN C 74 10.809 7.823 5.601 1.00 0.00 C ATOM 1114 OD1 ASN C 74 10.705 8.854 6.266 1.00 0.00 O ATOM 1115 ND2 ASN C 74 11.807 6.971 5.765 1.00 0.00 N ATOM 0 H ASN C 74 9.600 5.007 4.919 1.00 0.00 H new ATOM 0 HA ASN C 74 8.265 7.323 5.979 1.00 0.00 H new ATOM 0 HB2 ASN C 74 10.277 6.848 3.775 1.00 0.00 H new ATOM 0 HB3 ASN C 74 9.526 8.416 3.998 1.00 0.00 H new ATOM 0 HD21 ASN C 74 12.527 7.157 6.463 1.00 0.00 H new ATOM 0 HD22 ASN C 74 11.857 6.128 5.193 1.00 0.00 H new ATOM 1122 N ILE C 75 7.325 5.925 3.186 1.00 0.00 N ATOM 1123 CA ILE C 75 6.314 5.914 2.147 1.00 0.00 C ATOM 1124 C ILE C 75 4.935 5.599 2.720 1.00 0.00 C ATOM 1125 O ILE C 75 4.028 6.429 2.663 1.00 0.00 O ATOM 1126 CB ILE C 75 6.646 4.890 1.040 1.00 0.00 C ATOM 1127 CG1 ILE C 75 8.029 5.172 0.431 1.00 0.00 C ATOM 1128 CG2 ILE C 75 5.569 4.916 -0.034 1.00 0.00 C ATOM 1129 CD1 ILE C 75 8.150 6.536 -0.216 1.00 0.00 C ATOM 0 H ILE C 75 7.931 5.104 3.195 1.00 0.00 H new ATOM 0 HA ILE C 75 6.304 6.913 1.712 1.00 0.00 H new ATOM 0 HB ILE C 75 6.673 3.895 1.484 1.00 0.00 H new ATOM 0 HG12 ILE C 75 8.784 5.084 1.212 1.00 0.00 H new ATOM 0 HG13 ILE C 75 8.250 4.407 -0.313 1.00 0.00 H new ATOM 0 HG21 ILE C 75 5.812 4.191 -0.810 1.00 0.00 H new ATOM 0 HG22 ILE C 75 4.606 4.664 0.410 1.00 0.00 H new ATOM 0 HG23 ILE C 75 5.516 5.913 -0.472 1.00 0.00 H new ATOM 0 HD11 ILE C 75 9.154 6.658 -0.622 1.00 0.00 H new ATOM 0 HD12 ILE C 75 7.420 6.623 -1.021 1.00 0.00 H new ATOM 0 HD13 ILE C 75 7.963 7.310 0.529 1.00 0.00 H new ATOM 1141 N SER C 76 4.788 4.406 3.295 1.00 0.00 N ATOM 1142 CA SER C 76 3.481 3.915 3.715 1.00 0.00 C ATOM 1143 C SER C 76 2.819 4.837 4.719 1.00 0.00 C ATOM 1144 O SER C 76 1.666 5.229 4.550 1.00 0.00 O ATOM 1145 CB SER C 76 3.584 2.504 4.302 1.00 0.00 C ATOM 1146 OG SER C 76 4.313 2.499 5.519 1.00 0.00 O ATOM 0 H SER C 76 5.559 3.764 3.480 1.00 0.00 H new ATOM 0 HA SER C 76 2.859 3.887 2.820 1.00 0.00 H new ATOM 0 HB2 SER C 76 2.584 2.107 4.474 1.00 0.00 H new ATOM 0 HB3 SER C 76 4.070 1.844 3.583 1.00 0.00 H new ATOM 0 HG SER C 76 5.229 2.806 5.353 1.00 0.00 H new ATOM 1152 N ASN C 77 3.540 5.190 5.757 1.00 0.00 N ATOM 1153 CA ASN C 77 2.935 5.941 6.845 1.00 0.00 C ATOM 1154 C ASN C 77 2.781 7.430 6.554 1.00 0.00 C ATOM 1155 O ASN C 77 1.997 8.102 7.220 1.00 0.00 O ATOM 1156 CB ASN C 77 3.646 5.699 8.169 1.00 0.00 C ATOM 1157 CG ASN C 77 3.176 4.417 8.835 1.00 0.00 C ATOM 1158 OD1 ASN C 77 1.887 4.120 8.699 1.00 0.00 O flip ATOM 1159 ND2 ASN C 77 3.951 3.719 9.490 1.00 0.00 N flip ATOM 0 H ASN C 77 4.530 4.976 5.876 1.00 0.00 H new ATOM 0 HA ASN C 77 1.921 5.551 6.935 1.00 0.00 H new ATOM 0 HB2 ASN C 77 4.722 5.648 8.000 1.00 0.00 H new ATOM 0 HB3 ASN C 77 3.468 6.542 8.837 1.00 0.00 H new ATOM 0 HD21 ASN C 77 4.933 3.983 9.569 1.00 0.00 H new ATOM 0 HD22 ASN C 77 3.611 2.877 9.954 1.00 0.00 H new ATOM 1166 N ASP C 78 3.488 7.963 5.563 1.00 0.00 N ATOM 1167 CA ASP C 78 3.162 9.310 5.094 1.00 0.00 C ATOM 1168 C ASP C 78 1.832 9.264 4.386 1.00 0.00 C ATOM 1169 O ASP C 78 1.036 10.197 4.467 1.00 0.00 O ATOM 1170 CB ASP C 78 4.213 9.887 4.155 1.00 0.00 C ATOM 1171 CG ASP C 78 5.272 10.700 4.886 1.00 0.00 C ATOM 1172 OD1 ASP C 78 6.036 10.129 5.692 1.00 0.00 O ATOM 1173 OD2 ASP C 78 5.334 11.930 4.665 1.00 0.00 O1- ATOM 0 H ASP C 78 4.263 7.506 5.082 1.00 0.00 H new ATOM 0 HA ASP C 78 3.127 9.962 5.967 1.00 0.00 H new ATOM 0 HB2 ASP C 78 4.695 9.074 3.613 1.00 0.00 H new ATOM 0 HB3 ASP C 78 3.724 10.519 3.413 1.00 0.00 H new ATOM 1178 N ILE C 79 1.592 8.145 3.712 1.00 0.00 N ATOM 1179 CA ILE C 79 0.306 7.870 3.097 1.00 0.00 C ATOM 1180 C ILE C 79 -0.785 7.825 4.166 1.00 0.00 C ATOM 1181 O ILE C 79 -1.966 8.023 3.880 1.00 0.00 O ATOM 1182 CB ILE C 79 0.341 6.539 2.307 1.00 0.00 C ATOM 1183 CG1 ILE C 79 1.309 6.659 1.127 1.00 0.00 C ATOM 1184 CG2 ILE C 79 -1.049 6.142 1.820 1.00 0.00 C ATOM 1185 CD1 ILE C 79 1.525 5.360 0.381 1.00 0.00 C ATOM 0 H ILE C 79 2.283 7.407 3.579 1.00 0.00 H new ATOM 0 HA ILE C 79 0.083 8.673 2.394 1.00 0.00 H new ATOM 0 HB ILE C 79 0.690 5.754 2.978 1.00 0.00 H new ATOM 0 HG12 ILE C 79 0.929 7.408 0.432 1.00 0.00 H new ATOM 0 HG13 ILE C 79 2.270 7.022 1.492 1.00 0.00 H new ATOM 0 HG21 ILE C 79 -0.987 5.203 1.269 1.00 0.00 H new ATOM 0 HG22 ILE C 79 -1.713 6.018 2.676 1.00 0.00 H new ATOM 0 HG23 ILE C 79 -1.442 6.921 1.166 1.00 0.00 H new ATOM 0 HD11 ILE C 79 2.222 5.524 -0.441 1.00 0.00 H new ATOM 0 HD12 ILE C 79 1.935 4.614 1.061 1.00 0.00 H new ATOM 0 HD13 ILE C 79 0.574 5.006 -0.016 1.00 0.00 H new ATOM 1197 N ASN C 80 -0.384 7.605 5.412 1.00 0.00 N ATOM 1198 CA ASN C 80 -1.348 7.565 6.496 1.00 0.00 C ATOM 1199 C ASN C 80 -1.801 8.954 6.863 1.00 0.00 C ATOM 1200 O ASN C 80 -2.986 9.176 7.073 1.00 0.00 O ATOM 1201 CB ASN C 80 -0.811 6.889 7.764 1.00 0.00 C ATOM 1202 CG ASN C 80 -0.627 5.393 7.653 1.00 0.00 C ATOM 1203 OD1 ASN C 80 -0.865 4.663 8.612 1.00 0.00 O ATOM 1204 ND2 ASN C 80 -0.147 4.921 6.519 1.00 0.00 N ATOM 0 H ASN C 80 0.586 7.454 5.691 1.00 0.00 H new ATOM 0 HA ASN C 80 -2.181 6.971 6.119 1.00 0.00 H new ATOM 0 HB2 ASN C 80 0.147 7.341 8.022 1.00 0.00 H new ATOM 0 HB3 ASN C 80 -1.494 7.097 8.587 1.00 0.00 H new ATOM 0 HD21 ASN C 80 0.037 3.923 6.419 1.00 0.00 H new ATOM 0 HD22 ASN C 80 0.040 5.554 5.741 1.00 0.00 H new ATOM 1211 N LYS C 81 -0.859 9.885 6.942 1.00 0.00 N ATOM 1212 CA LYS C 81 -1.185 11.268 7.267 1.00 0.00 C ATOM 1213 C LYS C 81 -2.287 11.761 6.342 1.00 0.00 C ATOM 1214 O LYS C 81 -3.211 12.453 6.757 1.00 0.00 O ATOM 1215 CB LYS C 81 0.048 12.160 7.123 1.00 0.00 C ATOM 1216 CG LYS C 81 1.246 11.689 7.935 1.00 0.00 C ATOM 1217 CD LYS C 81 2.396 12.682 7.857 1.00 0.00 C ATOM 1218 CE LYS C 81 2.839 12.920 6.423 1.00 0.00 C ATOM 1219 NZ LYS C 81 3.969 13.881 6.341 1.00 0.00 N1+ ATOM 0 H LYS C 81 0.134 9.709 6.786 1.00 0.00 H new ATOM 0 HA LYS C 81 -1.527 11.314 8.301 1.00 0.00 H new ATOM 0 HB2 LYS C 81 0.330 12.207 6.071 1.00 0.00 H new ATOM 0 HB3 LYS C 81 -0.211 13.174 7.429 1.00 0.00 H new ATOM 0 HG2 LYS C 81 0.951 11.553 8.975 1.00 0.00 H new ATOM 0 HG3 LYS C 81 1.577 10.718 7.568 1.00 0.00 H new ATOM 0 HD2 LYS C 81 2.091 13.628 8.305 1.00 0.00 H new ATOM 0 HD3 LYS C 81 3.238 12.310 8.441 1.00 0.00 H new ATOM 0 HE2 LYS C 81 3.136 11.972 5.973 1.00 0.00 H new ATOM 0 HE3 LYS C 81 1.998 13.299 5.842 1.00 0.00 H new ATOM 0 HZ1 LYS C 81 3.637 14.772 5.919 1.00 0.00 H new ATOM 0 HZ2 LYS C 81 4.337 14.066 7.296 1.00 0.00 H new ATOM 0 HZ3 LYS C 81 4.725 13.479 5.751 1.00 0.00 H new ATOM 1233 N LEU C 82 -2.198 11.332 5.095 1.00 0.00 N ATOM 1234 CA LEU C 82 -3.161 11.690 4.066 1.00 0.00 C ATOM 1235 C LEU C 82 -4.582 11.312 4.493 1.00 0.00 C ATOM 1236 O LEU C 82 -5.536 12.021 4.175 1.00 0.00 O ATOM 1237 CB LEU C 82 -2.813 10.953 2.770 1.00 0.00 C ATOM 1238 CG LEU C 82 -1.314 10.786 2.480 1.00 0.00 C ATOM 1239 CD1 LEU C 82 -1.122 10.123 1.124 1.00 0.00 C ATOM 1240 CD2 LEU C 82 -0.604 12.133 2.507 1.00 0.00 C ATOM 0 H LEU C 82 -1.451 10.721 4.765 1.00 0.00 H new ATOM 0 HA LEU C 82 -3.118 12.768 3.911 1.00 0.00 H new ATOM 0 HB2 LEU C 82 -3.270 9.964 2.802 1.00 0.00 H new ATOM 0 HB3 LEU C 82 -3.268 11.488 1.936 1.00 0.00 H new ATOM 0 HG LEU C 82 -0.880 10.155 3.255 1.00 0.00 H new ATOM 0 HD11 LEU C 82 -0.057 10.007 0.923 1.00 0.00 H new ATOM 0 HD12 LEU C 82 -1.600 9.143 1.127 1.00 0.00 H new ATOM 0 HD13 LEU C 82 -1.572 10.743 0.349 1.00 0.00 H new ATOM 0 HD21 LEU C 82 0.456 11.990 2.299 1.00 0.00 H new ATOM 0 HD22 LEU C 82 -1.037 12.788 1.751 1.00 0.00 H new ATOM 0 HD23 LEU C 82 -0.723 12.587 3.491 1.00 0.00 H new ATOM 1252 N ASN C 83 -4.687 10.216 5.250 1.00 0.00 N ATOM 1253 CA ASN C 83 -5.975 9.604 5.615 1.00 0.00 C ATOM 1254 C ASN C 83 -6.964 9.669 4.457 1.00 0.00 C ATOM 1255 O ASN C 83 -7.851 10.526 4.411 1.00 0.00 O ATOM 1256 CB ASN C 83 -6.552 10.224 6.890 1.00 0.00 C ATOM 1257 CG ASN C 83 -6.364 9.323 8.108 1.00 0.00 C ATOM 1258 OD1 ASN C 83 -7.171 9.337 9.037 1.00 0.00 O ATOM 1259 ND2 ASN C 83 -5.294 8.529 8.117 1.00 0.00 N ATOM 0 H ASN C 83 -3.879 9.723 5.630 1.00 0.00 H new ATOM 0 HA ASN C 83 -5.791 8.551 5.828 1.00 0.00 H new ATOM 0 HB2 ASN C 83 -6.071 11.185 7.074 1.00 0.00 H new ATOM 0 HB3 ASN C 83 -7.614 10.421 6.747 1.00 0.00 H new ATOM 0 HD21 ASN C 83 -5.125 7.909 8.910 1.00 0.00 H new ATOM 0 HD22 ASN C 83 -4.644 8.541 7.331 1.00 0.00 H new ATOM 1266 N ILE C 84 -6.792 8.744 3.526 1.00 0.00 N ATOM 1267 CA ILE C 84 -7.508 8.763 2.258 1.00 0.00 C ATOM 1268 C ILE C 84 -9.002 8.573 2.435 1.00 0.00 C ATOM 1269 O ILE C 84 -9.448 7.705 3.175 1.00 0.00 O ATOM 1270 CB ILE C 84 -6.992 7.660 1.322 1.00 0.00 C ATOM 1271 CG1 ILE C 84 -5.472 7.654 1.327 1.00 0.00 C ATOM 1272 CG2 ILE C 84 -7.525 7.860 -0.092 1.00 0.00 C ATOM 1273 CD1 ILE C 84 -4.871 6.597 0.427 1.00 0.00 C ATOM 0 H ILE C 84 -6.151 7.957 3.627 1.00 0.00 H new ATOM 0 HA ILE C 84 -7.327 9.746 1.824 1.00 0.00 H new ATOM 0 HB ILE C 84 -7.351 6.695 1.681 1.00 0.00 H new ATOM 0 HG12 ILE C 84 -5.111 8.634 1.015 1.00 0.00 H new ATOM 0 HG13 ILE C 84 -5.120 7.495 2.346 1.00 0.00 H new ATOM 0 HG21 ILE C 84 -7.147 7.068 -0.739 1.00 0.00 H new ATOM 0 HG22 ILE C 84 -8.614 7.829 -0.078 1.00 0.00 H new ATOM 0 HG23 ILE C 84 -7.195 8.827 -0.472 1.00 0.00 H new ATOM 0 HD11 ILE C 84 -3.784 6.650 0.479 1.00 0.00 H new ATOM 0 HD12 ILE C 84 -5.202 5.611 0.752 1.00 0.00 H new ATOM 0 HD13 ILE C 84 -5.193 6.768 -0.600 1.00 0.00 H new ATOM 1285 N LYS C 85 -9.761 9.369 1.707 1.00 0.00 N ATOM 1286 CA LYS C 85 -11.216 9.269 1.683 1.00 0.00 C ATOM 1287 C LYS C 85 -11.640 8.163 0.717 1.00 0.00 C ATOM 1288 O LYS C 85 -12.626 8.287 -0.014 1.00 0.00 O ATOM 1289 CB LYS C 85 -11.798 10.616 1.251 1.00 0.00 C ATOM 1290 CG LYS C 85 -11.331 11.048 -0.141 1.00 0.00 C ATOM 1291 CD LYS C 85 -10.985 12.524 -0.184 1.00 0.00 C ATOM 1292 CE LYS C 85 -9.750 12.830 0.652 1.00 0.00 C ATOM 1293 NZ LYS C 85 -9.319 14.245 0.511 1.00 0.00 N1+ ATOM 0 H LYS C 85 -9.388 10.108 1.111 1.00 0.00 H new ATOM 0 HA LYS C 85 -11.591 9.020 2.675 1.00 0.00 H new ATOM 0 HB2 LYS C 85 -12.886 10.556 1.261 1.00 0.00 H new ATOM 0 HB3 LYS C 85 -11.514 11.378 1.977 1.00 0.00 H new ATOM 0 HG2 LYS C 85 -10.459 10.461 -0.431 1.00 0.00 H new ATOM 0 HG3 LYS C 85 -12.114 10.836 -0.869 1.00 0.00 H new ATOM 0 HD2 LYS C 85 -10.812 12.829 -1.216 1.00 0.00 H new ATOM 0 HD3 LYS C 85 -11.829 13.108 0.184 1.00 0.00 H new ATOM 0 HE2 LYS C 85 -9.960 12.618 1.700 1.00 0.00 H new ATOM 0 HE3 LYS C 85 -8.936 12.171 0.350 1.00 0.00 H new ATOM 0 HZ1 LYS C 85 -8.475 14.411 1.096 1.00 0.00 H new ATOM 0 HZ2 LYS C 85 -9.093 14.442 -0.485 1.00 0.00 H new ATOM 0 HZ3 LYS C 85 -10.086 14.874 0.823 1.00 0.00 H new ATOM 1307 N GLY C 86 -10.886 7.076 0.733 1.00 0.00 N ATOM 1308 CA GLY C 86 -11.047 6.043 -0.258 1.00 0.00 C ATOM 1309 C GLY C 86 -11.841 4.860 0.245 1.00 0.00 C ATOM 1310 O GLY C 86 -11.524 4.297 1.293 1.00 0.00 O ATOM 0 H GLY C 86 -10.159 6.893 1.424 1.00 0.00 H new ATOM 0 HA2 GLY C 86 -11.544 6.461 -1.133 1.00 0.00 H new ATOM 0 HA3 GLY C 86 -10.064 5.702 -0.582 1.00 0.00 H new ATOM 1314 N PRO C 87 -12.880 4.449 -0.490 1.00 0.00 N ATOM 1315 CA PRO C 87 -13.651 3.258 -0.151 1.00 0.00 C ATOM 1316 C PRO C 87 -12.935 1.997 -0.619 1.00 0.00 C ATOM 1317 O PRO C 87 -12.892 0.991 0.090 1.00 0.00 O ATOM 1318 CB PRO C 87 -14.948 3.465 -0.930 1.00 0.00 C ATOM 1319 CG PRO C 87 -14.511 4.200 -2.148 1.00 0.00 C ATOM 1320 CD PRO C 87 -13.410 5.124 -1.692 1.00 0.00 C ATOM 0 HA PRO C 87 -13.803 3.131 0.921 1.00 0.00 H new ATOM 0 HB2 PRO C 87 -15.420 2.515 -1.182 1.00 0.00 H new ATOM 0 HB3 PRO C 87 -15.674 4.039 -0.354 1.00 0.00 H new ATOM 0 HG2 PRO C 87 -14.153 3.512 -2.914 1.00 0.00 H new ATOM 0 HG3 PRO C 87 -15.337 4.761 -2.585 1.00 0.00 H new ATOM 0 HD2 PRO C 87 -12.643 5.245 -2.457 1.00 0.00 H new ATOM 0 HD3 PRO C 87 -13.789 6.119 -1.461 1.00 0.00 H new ATOM 1328 N TYR C 88 -12.349 2.064 -1.808 1.00 0.00 N ATOM 1329 CA TYR C 88 -11.579 0.958 -2.331 1.00 0.00 C ATOM 1330 C TYR C 88 -10.171 1.443 -2.637 1.00 0.00 C ATOM 1331 O TYR C 88 -9.920 2.036 -3.689 1.00 0.00 O ATOM 1332 CB TYR C 88 -12.228 0.386 -3.595 1.00 0.00 C ATOM 1333 CG TYR C 88 -13.739 0.326 -3.537 1.00 0.00 C ATOM 1334 CD1 TYR C 88 -14.387 -0.683 -2.840 1.00 0.00 C ATOM 1335 CD2 TYR C 88 -14.516 1.281 -4.183 1.00 0.00 C ATOM 1336 CE1 TYR C 88 -15.763 -0.739 -2.788 1.00 0.00 C ATOM 1337 CE2 TYR C 88 -15.896 1.231 -4.132 1.00 0.00 C ATOM 1338 CZ TYR C 88 -16.513 0.217 -3.433 1.00 0.00 C ATOM 1339 OH TYR C 88 -17.889 0.160 -3.374 1.00 0.00 O ATOM 0 H TYR C 88 -12.396 2.876 -2.424 1.00 0.00 H new ATOM 0 HA TYR C 88 -11.545 0.162 -1.587 1.00 0.00 H new ATOM 0 HB2 TYR C 88 -11.931 0.993 -4.450 1.00 0.00 H new ATOM 0 HB3 TYR C 88 -11.841 -0.618 -3.767 1.00 0.00 H new ATOM 0 HD1 TYR C 88 -13.804 -1.436 -2.330 1.00 0.00 H new ATOM 0 HD2 TYR C 88 -14.033 2.075 -4.734 1.00 0.00 H new ATOM 0 HE1 TYR C 88 -16.252 -1.532 -2.242 1.00 0.00 H new ATOM 0 HE2 TYR C 88 -16.487 1.981 -4.637 1.00 0.00 H new ATOM 0 HH TYR C 88 -18.269 0.908 -3.880 1.00 0.00 H new ATOM 1349 N ILE C 89 -9.256 1.198 -1.715 1.00 0.00 N ATOM 1350 CA ILE C 89 -7.896 1.692 -1.850 1.00 0.00 C ATOM 1351 C ILE C 89 -6.963 0.573 -2.272 1.00 0.00 C ATOM 1352 O ILE C 89 -6.879 -0.467 -1.621 1.00 0.00 O ATOM 1353 CB ILE C 89 -7.390 2.325 -0.540 1.00 0.00 C ATOM 1354 CG1 ILE C 89 -8.359 3.421 -0.092 1.00 0.00 C ATOM 1355 CG2 ILE C 89 -5.988 2.892 -0.728 1.00 0.00 C ATOM 1356 CD1 ILE C 89 -7.988 4.071 1.222 1.00 0.00 C ATOM 0 H ILE C 89 -9.429 0.661 -0.866 1.00 0.00 H new ATOM 0 HA ILE C 89 -7.905 2.464 -2.620 1.00 0.00 H new ATOM 0 HB ILE C 89 -7.343 1.557 0.232 1.00 0.00 H new ATOM 0 HG12 ILE C 89 -8.406 4.188 -0.865 1.00 0.00 H new ATOM 0 HG13 ILE C 89 -9.358 2.995 -0.005 1.00 0.00 H new ATOM 0 HG21 ILE C 89 -5.646 3.335 0.207 1.00 0.00 H new ATOM 0 HG22 ILE C 89 -5.308 2.092 -1.020 1.00 0.00 H new ATOM 0 HG23 ILE C 89 -6.005 3.655 -1.506 1.00 0.00 H new ATOM 0 HD11 ILE C 89 -8.723 4.836 1.470 1.00 0.00 H new ATOM 0 HD12 ILE C 89 -7.970 3.317 2.009 1.00 0.00 H new ATOM 0 HD13 ILE C 89 -7.003 4.529 1.136 1.00 0.00 H new ATOM 1368 N GLU C 90 -6.270 0.800 -3.369 1.00 0.00 N ATOM 1369 CA GLU C 90 -5.394 -0.195 -3.945 1.00 0.00 C ATOM 1370 C GLU C 90 -3.947 0.221 -3.823 1.00 0.00 C ATOM 1371 O GLU C 90 -3.462 1.041 -4.599 1.00 0.00 O ATOM 1372 CB GLU C 90 -5.719 -0.386 -5.414 1.00 0.00 C ATOM 1373 CG GLU C 90 -7.154 -0.807 -5.667 1.00 0.00 C ATOM 1374 CD GLU C 90 -7.469 -0.923 -7.140 1.00 0.00 C ATOM 1375 OE1 GLU C 90 -8.300 -0.139 -7.637 1.00 0.00 O ATOM 1376 OE2 GLU C 90 -6.885 -1.798 -7.810 1.00 0.00 O1- ATOM 0 H GLU C 90 -6.299 1.679 -3.885 1.00 0.00 H new ATOM 0 HA GLU C 90 -5.547 -1.127 -3.401 1.00 0.00 H new ATOM 0 HB2 GLU C 90 -5.523 0.545 -5.945 1.00 0.00 H new ATOM 0 HB3 GLU C 90 -5.049 -1.138 -5.831 1.00 0.00 H new ATOM 0 HG2 GLU C 90 -7.339 -1.765 -5.182 1.00 0.00 H new ATOM 0 HG3 GLU C 90 -7.828 -0.083 -5.210 1.00 0.00 H new ATOM 1383 N ILE C 91 -3.261 -0.334 -2.857 1.00 0.00 N ATOM 1384 CA ILE C 91 -1.833 -0.151 -2.770 1.00 0.00 C ATOM 1385 C ILE C 91 -1.168 -1.339 -3.450 1.00 0.00 C ATOM 1386 O ILE C 91 -1.042 -2.407 -2.863 1.00 0.00 O ATOM 1387 CB ILE C 91 -1.374 -0.001 -1.298 1.00 0.00 C ATOM 1388 CG1 ILE C 91 -2.055 1.223 -0.666 1.00 0.00 C ATOM 1389 CG2 ILE C 91 0.142 0.105 -1.191 1.00 0.00 C ATOM 1390 CD1 ILE C 91 -1.347 1.771 0.558 1.00 0.00 C ATOM 0 H ILE C 91 -3.665 -0.914 -2.122 1.00 0.00 H new ATOM 0 HA ILE C 91 -1.541 0.771 -3.274 1.00 0.00 H new ATOM 0 HB ILE C 91 -1.672 -0.896 -0.752 1.00 0.00 H new ATOM 0 HG12 ILE C 91 -2.124 2.012 -1.415 1.00 0.00 H new ATOM 0 HG13 ILE C 91 -3.075 0.955 -0.391 1.00 0.00 H new ATOM 0 HG21 ILE C 91 0.426 0.209 -0.144 1.00 0.00 H new ATOM 0 HG22 ILE C 91 0.600 -0.794 -1.604 1.00 0.00 H new ATOM 0 HG23 ILE C 91 0.486 0.976 -1.749 1.00 0.00 H new ATOM 0 HD11 ILE C 91 -1.895 2.633 0.940 1.00 0.00 H new ATOM 0 HD12 ILE C 91 -1.301 1.000 1.327 1.00 0.00 H new ATOM 0 HD13 ILE C 91 -0.336 2.074 0.288 1.00 0.00 H new ATOM 1402 N LYS C 92 -0.761 -1.148 -4.705 1.00 0.00 N ATOM 1403 CA LYS C 92 -0.268 -2.243 -5.532 1.00 0.00 C ATOM 1404 C LYS C 92 0.644 -1.704 -6.631 1.00 0.00 C ATOM 1405 O LYS C 92 0.467 -0.585 -7.106 1.00 0.00 O ATOM 1406 CB LYS C 92 -1.451 -2.999 -6.143 1.00 0.00 C ATOM 1407 CG LYS C 92 -2.337 -2.134 -7.030 1.00 0.00 C ATOM 1408 CD LYS C 92 -2.016 -2.325 -8.504 1.00 0.00 C ATOM 1409 CE LYS C 92 -3.000 -1.583 -9.392 1.00 0.00 C ATOM 1410 NZ LYS C 92 -2.735 -1.824 -10.835 1.00 0.00 N1+ ATOM 0 H LYS C 92 -0.764 -0.240 -5.170 1.00 0.00 H new ATOM 0 HA LYS C 92 0.309 -2.929 -4.912 1.00 0.00 H new ATOM 0 HB2 LYS C 92 -1.072 -3.836 -6.729 1.00 0.00 H new ATOM 0 HB3 LYS C 92 -2.056 -3.420 -5.340 1.00 0.00 H new ATOM 0 HG2 LYS C 92 -3.383 -2.381 -6.851 1.00 0.00 H new ATOM 0 HG3 LYS C 92 -2.207 -1.085 -6.762 1.00 0.00 H new ATOM 0 HD2 LYS C 92 -1.005 -1.971 -8.705 1.00 0.00 H new ATOM 0 HD3 LYS C 92 -2.036 -3.387 -8.746 1.00 0.00 H new ATOM 0 HE2 LYS C 92 -4.015 -1.899 -9.152 1.00 0.00 H new ATOM 0 HE3 LYS C 92 -2.941 -0.514 -9.186 1.00 0.00 H new ATOM 0 HZ1 LYS C 92 -3.428 -1.300 -11.407 1.00 0.00 H new ATOM 0 HZ2 LYS C 92 -1.775 -1.500 -11.071 1.00 0.00 H new ATOM 0 HZ3 LYS C 92 -2.816 -2.841 -11.038 1.00 0.00 H new ATOM 1424 N GLN C 93 1.610 -2.506 -7.036 1.00 0.00 N ATOM 1425 CA GLN C 93 2.579 -2.091 -8.022 1.00 0.00 C ATOM 1426 C GLN C 93 1.950 -2.055 -9.413 1.00 0.00 C ATOM 1427 O GLN C 93 1.092 -2.879 -9.735 1.00 0.00 O ATOM 1428 CB GLN C 93 3.772 -3.039 -7.959 1.00 0.00 C ATOM 1429 CG GLN C 93 4.565 -3.118 -9.234 1.00 0.00 C ATOM 1430 CD GLN C 93 5.890 -3.807 -9.026 1.00 0.00 C ATOM 1431 OE1 GLN C 93 6.896 -3.031 -8.674 1.00 0.00 O flip ATOM 1432 NE2 GLN C 93 6.005 -5.025 -9.168 1.00 0.00 N flip ATOM 0 H GLN C 93 1.742 -3.457 -6.691 1.00 0.00 H new ATOM 0 HA GLN C 93 2.923 -1.079 -7.809 1.00 0.00 H new ATOM 0 HB2 GLN C 93 4.433 -2.720 -7.153 1.00 0.00 H new ATOM 0 HB3 GLN C 93 3.416 -4.037 -7.704 1.00 0.00 H new ATOM 0 HG2 GLN C 93 3.990 -3.656 -9.987 1.00 0.00 H new ATOM 0 HG3 GLN C 93 4.734 -2.113 -9.620 1.00 0.00 H new ATOM 0 HE21 GLN C 93 5.198 -5.585 -9.442 1.00 0.00 H new ATOM 0 HE22 GLN C 93 6.908 -5.474 -9.012 1.00 0.00 H new ATOM 1441 N ILE C 94 2.373 -1.088 -10.224 1.00 0.00 N ATOM 1442 CA ILE C 94 1.780 -0.885 -11.540 1.00 0.00 C ATOM 1443 C ILE C 94 2.181 -2.009 -12.488 1.00 0.00 C ATOM 1444 O ILE C 94 1.434 -3.006 -12.581 1.00 0.00 O ATOM 1445 CB ILE C 94 2.175 0.468 -12.182 1.00 0.00 C ATOM 1446 CG1 ILE C 94 3.053 1.320 -11.256 1.00 0.00 C ATOM 1447 CG2 ILE C 94 0.924 1.244 -12.560 1.00 0.00 C ATOM 1448 CD1 ILE C 94 2.284 2.032 -10.162 1.00 0.00 C ATOM 1449 OXT ILE C 94 3.246 -1.900 -13.129 1.00 0.00 O ATOM 0 H ILE C 94 3.122 -0.435 -9.992 1.00 0.00 H new ATOM 0 HA ILE C 94 0.701 -0.881 -11.384 1.00 0.00 H new ATOM 0 HB ILE C 94 2.761 0.245 -13.074 1.00 0.00 H new ATOM 0 HG12 ILE C 94 3.808 0.681 -10.798 1.00 0.00 H new ATOM 0 HG13 ILE C 94 3.583 2.061 -11.855 1.00 0.00 H new ATOM 0 HG21 ILE C 94 1.208 2.195 -13.011 1.00 0.00 H new ATOM 0 HG22 ILE C 94 0.338 0.665 -13.273 1.00 0.00 H new ATOM 0 HG23 ILE C 94 0.327 1.430 -11.667 1.00 0.00 H new ATOM 0 HD11 ILE C 94 2.975 2.613 -9.551 1.00 0.00 H new ATOM 0 HD12 ILE C 94 1.547 2.699 -10.610 1.00 0.00 H new ATOM 0 HD13 ILE C 94 1.776 1.297 -9.537 1.00 0.00 H new